smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C/C(=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000001218429 551627027 /nfs/dbraw/zinc/62/70/27/551627027.db2.gz CVEAVQSEDWPKQN-RCCKNPSSSA-N 1 1 529.544 4.382 50 10 KICAMO COc1cc(Br)c(Br)c([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)c1O ZINC000001250478 551632516 /nfs/dbraw/zinc/63/25/16/551632516.db2.gz XOPSHRVEBZDZOT-OAHLLOKOSA-N 1 1 503.216 4.404 50 10 KICAMO CC[NH+](CC)CCOC(=O)c1ccc(NC=C2C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1 ZINC000009350754 553245331 /nfs/dbraw/zinc/24/53/31/553245331.db2.gz VCSOTDHJBQNBCX-HAVVHWLPSA-N 1 1 508.644 4.464 50 10 KICAMO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C(=O)N4CCN(c5ccc(OC)cc5)CC4)C3)c(C)o2)cc1 ZINC000009693919 553299299 /nfs/dbraw/zinc/29/92/99/553299299.db2.gz YXEZPIMWONAILL-QHCPKHFHSA-N 1 1 504.631 4.228 50 10 KICAMO COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C(=O)N4CCN(c5ccc(OC)cc5)CC4)C3)c(C)o2)cc1 ZINC000009693920 553299263 /nfs/dbraw/zinc/29/92/63/553299263.db2.gz YXEZPIMWONAILL-HSZRJFAPSA-N 1 1 504.631 4.228 50 10 KICAMO COC(=O)CC[C@H]1C[N@@H+](Cc2ccccc2O)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000012244044 553354761 /nfs/dbraw/zinc/35/47/61/553354761.db2.gz BNIRCAKRGHBXNZ-GBXCKJPGSA-N 1 1 505.581 4.377 50 10 KICAMO COc1ccc(N2CC[NH+]([C@H](c3cccs3)[C@@H](C)NC(=O)Cc3ccc(OC)c(OC)c3)CC2)cc1 ZINC000020289498 553634594 /nfs/dbraw/zinc/63/45/94/553634594.db2.gz AEUJOHISSHASTJ-NGOKVRLYSA-N 1 1 509.672 4.385 50 10 KICAMO COc1ccc(N2CC[NH+]([C@@H](c3cccs3)[C@@H](C)NC(=O)Cc3ccc(OC)c(OC)c3)CC2)cc1 ZINC000020289502 553634681 /nfs/dbraw/zinc/63/46/81/553634681.db2.gz AEUJOHISSHASTJ-PIIWDFAUSA-N 1 1 509.672 4.385 50 10 KICAMO COc1ccc(N2CC[NH+]([C@H](c3cccs3)[C@H](C)NC(=O)Cc3ccc(OC)c(OC)c3)CC2)cc1 ZINC000020289505 553634555 /nfs/dbraw/zinc/63/45/55/553634555.db2.gz AEUJOHISSHASTJ-MMTVBGGISA-N 1 1 509.672 4.385 50 10 KICAMO COc1ccc(N2CC[NH+]([C@@H](c3cccs3)[C@H](C)NC(=O)Cc3ccc(OC)c(OC)c3)CC2)cc1 ZINC000020289509 553634577 /nfs/dbraw/zinc/63/45/77/553634577.db2.gz AEUJOHISSHASTJ-WTYVLRPYSA-N 1 1 509.672 4.385 50 10 KICAMO CCOCC[NH+]1CCN(C(=O)CCc2ccc(-c3ccc(F)cc3)n2-c2ccc(NC(C)=O)cc2)CC1 ZINC000023447232 553780902 /nfs/dbraw/zinc/78/09/02/553780902.db2.gz NQSLIMCTCVQYCA-UHFFFAOYSA-N 1 1 506.622 4.355 50 10 KICAMO O=S(=O)(c1ccc(F)c(F)c1F)N1CC[NH+](Cc2c(O)ccc3cc(Br)ccc32)CC1 ZINC000025719052 553813051 /nfs/dbraw/zinc/81/30/51/553813051.db2.gz BRKKNMRYSHEZTL-UHFFFAOYSA-N 1 1 515.351 4.232 50 10 KICAMO CN(C)c1ccc(C[NH+]2CCN(Cc3nc(C(=O)NCc4cccc(C(F)(F)F)c4)co3)CC2)cc1 ZINC000034678007 553983874 /nfs/dbraw/zinc/98/38/74/553983874.db2.gz HGNOYBJONWQGTC-UHFFFAOYSA-N 1 1 501.553 4.007 50 10 KICAMO COc1ccc(N2CC[NH+]([C@H](c3cccs3)[C@H](C)NC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1 ZINC000057015874 554352089 /nfs/dbraw/zinc/35/20/89/554352089.db2.gz XYYBPNFJZVZWQP-SIBVEZHUSA-N 1 1 525.671 4.464 50 10 KICAMO COc1ccc(N2CC[NH+]([C@H](c3cccs3)[C@@H](C)NC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1 ZINC000057015875 554351988 /nfs/dbraw/zinc/35/19/88/554351988.db2.gz XYYBPNFJZVZWQP-BCHFMIIMSA-N 1 1 525.671 4.464 50 10 KICAMO COc1ccc(N2CC[NH+]([C@@H](c3cccs3)[C@H](C)NC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1 ZINC000057015876 554351966 /nfs/dbraw/zinc/35/19/66/554351966.db2.gz XYYBPNFJZVZWQP-AFMDSPMNSA-N 1 1 525.671 4.464 50 10 KICAMO COc1ccc(N2CC[NH+]([C@@H](c3cccs3)[C@@H](C)NC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1 ZINC000057015878 554352097 /nfs/dbraw/zinc/35/20/97/554352097.db2.gz XYYBPNFJZVZWQP-NIYFSFCBSA-N 1 1 525.671 4.464 50 10 KICAMO O=C1c2ccccc2-c2onc3c2c1c(NCCO)cc3N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000063490357 554509636 /nfs/dbraw/zinc/50/96/36/554509636.db2.gz MKEQDTJCZVZROT-UHFFFAOYSA-N 1 1 519.001 4.298 50 10 KICAMO CCOC(=O)c1c(CS(=O)(=O)c2ccccc2)n(C)c2cc(-c3cccnc3)c(O)c(C[NH+](C)C)c21 ZINC000085392412 553678899 /nfs/dbraw/zinc/67/88/99/553678899.db2.gz MFTZETFOLWIEQS-UHFFFAOYSA-N 1 1 507.612 4.158 50 10 KICAMO COc1ccc(CN2C(=O)[C@@]3(SC2=S)[C@@H](c2ccco2)C[N@@H+](C)[C@]32C(=O)N(C)c3ccc(F)cc32)cc1 ZINC000097957160 553844818 /nfs/dbraw/zinc/84/48/18/553844818.db2.gz GYDZPKJRCCKGEO-UIFDUCBYSA-N 1 1 537.638 4.128 50 10 KICAMO COc1ccc(CN2C(=O)[C@@]3(SC2=S)[C@@H](c2ccco2)C[N@H+](C)[C@]32C(=O)N(C)c3ccc(F)cc32)cc1 ZINC000097957160 553844812 /nfs/dbraw/zinc/84/48/12/553844812.db2.gz GYDZPKJRCCKGEO-UIFDUCBYSA-N 1 1 537.638 4.128 50 10 KICAMO COc1ccc(CN2C(=O)[C@@]3(SC2=S)[C@H](c2ccco2)C[N@@H+](C)[C@]32C(=O)N(C)c3ccc(F)cc32)cc1 ZINC000097957161 553844874 /nfs/dbraw/zinc/84/48/74/553844874.db2.gz GYDZPKJRCCKGEO-BAURHKQJSA-N 1 1 537.638 4.128 50 10 KICAMO COc1ccc(CN2C(=O)[C@@]3(SC2=S)[C@H](c2ccco2)C[N@H+](C)[C@]32C(=O)N(C)c3ccc(F)cc32)cc1 ZINC000097957161 553844870 /nfs/dbraw/zinc/84/48/70/553844870.db2.gz GYDZPKJRCCKGEO-BAURHKQJSA-N 1 1 537.638 4.128 50 10 KICAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@@H+](C)C[C@@H](c2cccc([N+](=O)[O-])c2)[C@]12SC(=S)N(Cc1ccco1)C2=O ZINC000098007439 554064280 /nfs/dbraw/zinc/06/42/80/554064280.db2.gz BNLSNCSCPDAPFO-GCCWUPBUSA-N 1 1 548.646 4.426 50 10 KICAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@H+](C)C[C@@H](c2cccc([N+](=O)[O-])c2)[C@]12SC(=S)N(Cc1ccco1)C2=O ZINC000098007439 554064277 /nfs/dbraw/zinc/06/42/77/554064277.db2.gz BNLSNCSCPDAPFO-GCCWUPBUSA-N 1 1 548.646 4.426 50 10 KICAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@@H+](C)C[C@@H](c2cccc([N+](=O)[O-])c2)[C@@]12SC(=S)N(Cc1ccco1)C2=O ZINC000098007441 554064383 /nfs/dbraw/zinc/06/43/83/554064383.db2.gz BNLSNCSCPDAPFO-KWTBFXGESA-N 1 1 548.646 4.426 50 10 KICAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@H+](C)C[C@@H](c2cccc([N+](=O)[O-])c2)[C@@]12SC(=S)N(Cc1ccco1)C2=O ZINC000098007441 554064379 /nfs/dbraw/zinc/06/43/79/554064379.db2.gz BNLSNCSCPDAPFO-KWTBFXGESA-N 1 1 548.646 4.426 50 10 KICAMO CCc1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(SCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)n1 ZINC000098015018 554094880 /nfs/dbraw/zinc/09/48/80/554094880.db2.gz FYKPIJXIJYMPBV-UHFFFAOYSA-N 1 1 546.741 4.054 50 10 KICAMO Cc1c2c(cc(=O)n1CCC[NH+]1CCOCC1)[C@H](C(=O)Nc1ccc(Br)cc1)NN(c1nc3ccccc3s1)C2=O ZINC000098042793 554122413 /nfs/dbraw/zinc/12/24/13/554122413.db2.gz RFLJZELNSRQVNX-AREMUKBSSA-N 1 1 637.560 4.096 50 10 KICAMO Cc1c2c(cc(=O)n1CCC[NH+]1CCOCC1)[C@@H](C(=O)Nc1ccc(Br)cc1)NN(c1nc3ccccc3s1)C2=O ZINC000098042794 554122370 /nfs/dbraw/zinc/12/23/70/554122370.db2.gz RFLJZELNSRQVNX-SANMLTNESA-N 1 1 637.560 4.096 50 10 KICAMO Cc1cccn2c(=O)c(/C=C3\SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(NCCC[NH+]3CCOCC3)nc12 ZINC000100774554 554471969 /nfs/dbraw/zinc/47/19/69/554471969.db2.gz WHZQAKMTFFTIGQ-IRJMIRDBSA-N 1 1 549.722 4.100 50 10 KICAMO Cc1cccn2c(=O)c(/C=C3\SC(=S)N([C@H](C)c4ccccc4)C3=O)c(NCCC[NH+]3CCOCC3)nc12 ZINC000100774561 554471962 /nfs/dbraw/zinc/47/19/62/554471962.db2.gz WHZQAKMTFFTIGQ-SEDGDDRASA-N 1 1 549.722 4.100 50 10 KICAMO COc1cccc([C@H]2C[N@@H+](C)[C@]3(C(=O)N(C)c4ccc(F)cc43)[C@]23SC(=S)N(Cc2ccco2)C3=O)c1 ZINC000101400010 554759888 /nfs/dbraw/zinc/75/98/88/554759888.db2.gz LJEIUUBZLKIRLN-ZFWHIUCFSA-N 1 1 537.638 4.128 50 10 KICAMO COc1cccc([C@H]2C[N@H+](C)[C@]3(C(=O)N(C)c4ccc(F)cc43)[C@]23SC(=S)N(Cc2ccco2)C3=O)c1 ZINC000101400010 554759887 /nfs/dbraw/zinc/75/98/87/554759887.db2.gz LJEIUUBZLKIRLN-ZFWHIUCFSA-N 1 1 537.638 4.128 50 10 KICAMO COc1cccc([C@@H]2C[N@@H+](C)[C@]3(C(=O)N(C)c4ccc(F)cc43)[C@]23SC(=S)N(Cc2ccco2)C3=O)c1 ZINC000101400014 554759919 /nfs/dbraw/zinc/75/99/19/554759919.db2.gz LJEIUUBZLKIRLN-KWTBFXGESA-N 1 1 537.638 4.128 50 10 KICAMO COc1cccc([C@@H]2C[N@H+](C)[C@]3(C(=O)N(C)c4ccc(F)cc43)[C@]23SC(=S)N(Cc2ccco2)C3=O)c1 ZINC000101400014 554759918 /nfs/dbraw/zinc/75/99/18/554759918.db2.gz LJEIUUBZLKIRLN-KWTBFXGESA-N 1 1 537.638 4.128 50 10 KICAMO COc1ccc2c(c1)[C@]1(C(=O)N2C)[N@@H+](C)C[C@H](c2cccs2)[C@@]12SC(=S)N(Cc1ccco1)C2=O ZINC000101443842 554773804 /nfs/dbraw/zinc/77/38/04/554773804.db2.gz JSFJINBXYPDTFB-XYHYBEPMSA-N 1 1 525.677 4.050 50 10 KICAMO COc1ccc2c(c1)[C@]1(C(=O)N2C)[N@H+](C)C[C@H](c2cccs2)[C@@]12SC(=S)N(Cc1ccco1)C2=O ZINC000101443842 554773801 /nfs/dbraw/zinc/77/38/01/554773801.db2.gz JSFJINBXYPDTFB-XYHYBEPMSA-N 1 1 525.677 4.050 50 10 KICAMO COc1ccc2c(c1)[C@]1(C(=O)N2C)[N@@H+](C)C[C@@H](c2cccs2)[C@@]12SC(=S)N(Cc1ccco1)C2=O ZINC000101443850 554773842 /nfs/dbraw/zinc/77/38/42/554773842.db2.gz JSFJINBXYPDTFB-MUEKUWCCSA-N 1 1 525.677 4.050 50 10 KICAMO COc1ccc2c(c1)[C@]1(C(=O)N2C)[N@H+](C)C[C@@H](c2cccs2)[C@@]12SC(=S)N(Cc1ccco1)C2=O ZINC000101443850 554773839 /nfs/dbraw/zinc/77/38/39/554773839.db2.gz JSFJINBXYPDTFB-MUEKUWCCSA-N 1 1 525.677 4.050 50 10 KICAMO COc1cc(C[NH+]2CCN(c3cccc4c3C(=O)N(Cc3ccc5c(c3)CCCN5C)C4=O)CC2)cc(OC)c1 ZINC000102414673 554924519 /nfs/dbraw/zinc/92/45/19/554924519.db2.gz DGYZGFCTDQJNJH-UHFFFAOYSA-N 1 1 540.664 4.205 50 10 KICAMO COC(=O)c1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000102747950 555041907 /nfs/dbraw/zinc/04/19/07/555041907.db2.gz PIEITPMFPFMPMM-UHFFFAOYSA-N 1 1 607.758 4.196 50 10 KICAMO COc1ccc(N2CC[NH+](CCCn3c(=O)c4sccc4nc3SCC(=O)NCc3ccc(C)cc3)CC2)cc1 ZINC000102750049 555044036 /nfs/dbraw/zinc/04/40/36/555044036.db2.gz NZZDIEPHCANWIL-UHFFFAOYSA-N 1 1 577.776 4.396 50 10 KICAMO COc1cccc([C@@H]2C[N@@H+](C)[C@@]3(C(=O)N(C)c4ccc(F)cc43)[C@]23SC(=S)N(Cc2ccco2)C3=O)c1 ZINC000102898372 555138430 /nfs/dbraw/zinc/13/84/30/555138430.db2.gz LJEIUUBZLKIRLN-PUUVEUEGSA-N 1 1 537.638 4.128 50 10 KICAMO COc1cccc([C@@H]2C[N@H+](C)[C@@]3(C(=O)N(C)c4ccc(F)cc43)[C@]23SC(=S)N(Cc2ccco2)C3=O)c1 ZINC000102898372 555138427 /nfs/dbraw/zinc/13/84/27/555138427.db2.gz LJEIUUBZLKIRLN-PUUVEUEGSA-N 1 1 537.638 4.128 50 10 KICAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@@H+](C)C[C@H](c2cccc([N+](=O)[O-])c2)[C@]12SC(=S)N(Cc1ccco1)C2=O ZINC000103019392 555210876 /nfs/dbraw/zinc/21/08/76/555210876.db2.gz BNLSNCSCPDAPFO-SACAOSOOSA-N 1 1 548.646 4.426 50 10 KICAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@H+](C)C[C@H](c2cccc([N+](=O)[O-])c2)[C@]12SC(=S)N(Cc1ccco1)C2=O ZINC000103019392 555210872 /nfs/dbraw/zinc/21/08/72/555210872.db2.gz BNLSNCSCPDAPFO-SACAOSOOSA-N 1 1 548.646 4.426 50 10 KICAMO COc1ccc(N2CCN(c3nc(SCc4ccc(C(=O)N5CC[NH+](C)CC5)cc4)nc(C)c3C)CC2)cc1 ZINC000103048485 555229939 /nfs/dbraw/zinc/22/99/39/555229939.db2.gz QFUPOQHFUMRPHJ-UHFFFAOYSA-N 1 1 546.741 4.109 50 10 KICAMO COc1ccc(CN2C(=O)[C@]3(SC2=S)[C@H](c2ccco2)C[N@@H+](C)[C@@]32C(=O)N(C)c3ccc(F)cc32)cc1 ZINC000106015616 571410338 /nfs/dbraw/zinc/41/03/38/571410338.db2.gz GYDZPKJRCCKGEO-SQMFLSJESA-N 1 1 537.638 4.128 50 10 KICAMO COc1ccc(CN2C(=O)[C@]3(SC2=S)[C@H](c2ccco2)C[N@H+](C)[C@@]32C(=O)N(C)c3ccc(F)cc32)cc1 ZINC000106015616 571410337 /nfs/dbraw/zinc/41/03/37/571410337.db2.gz GYDZPKJRCCKGEO-SQMFLSJESA-N 1 1 537.638 4.128 50 10 KICAMO COc1ccc(CN2C(=O)[C@]3(SC2=S)[C@@H](c2ccco2)C[N@@H+](C)[C@@]32C(=O)N(C)c3ccc(F)cc32)cc1 ZINC000106015619 571410403 /nfs/dbraw/zinc/41/04/03/571410403.db2.gz GYDZPKJRCCKGEO-JAMKYWPSSA-N 1 1 537.638 4.128 50 10 KICAMO COc1ccc(CN2C(=O)[C@]3(SC2=S)[C@@H](c2ccco2)C[N@H+](C)[C@@]32C(=O)N(C)c3ccc(F)cc32)cc1 ZINC000106015619 571410402 /nfs/dbraw/zinc/41/04/02/571410402.db2.gz GYDZPKJRCCKGEO-JAMKYWPSSA-N 1 1 537.638 4.128 50 10 KICAMO COc1ccc2c(c1)[C@]1(C(=O)N2C)[N@@H+](C)C[C@H](c2cccs2)[C@]12SC(=S)N(Cc1ccco1)C2=O ZINC000106022203 571411006 /nfs/dbraw/zinc/41/10/06/571411006.db2.gz JSFJINBXYPDTFB-ZYKLXPEUSA-N 1 1 525.677 4.050 50 10 KICAMO COc1ccc2c(c1)[C@]1(C(=O)N2C)[N@H+](C)C[C@H](c2cccs2)[C@]12SC(=S)N(Cc1ccco1)C2=O ZINC000106022203 571411005 /nfs/dbraw/zinc/41/10/05/571411005.db2.gz JSFJINBXYPDTFB-ZYKLXPEUSA-N 1 1 525.677 4.050 50 10 KICAMO COc1cccc([C@@H]2C[N@@H+](C)[C@@]3(C(=O)N(C)c4ccc(F)cc43)[C@@]23SC(=S)N(Cc2ccco2)C3=O)c1 ZINC000227249027 572152906 /nfs/dbraw/zinc/15/29/06/572152906.db2.gz LJEIUUBZLKIRLN-NJTBCWBZSA-N 1 1 537.638 4.128 50 10 KICAMO COc1cccc([C@@H]2C[N@H+](C)[C@@]3(C(=O)N(C)c4ccc(F)cc43)[C@@]23SC(=S)N(Cc2ccco2)C3=O)c1 ZINC000227249027 572152905 /nfs/dbraw/zinc/15/29/05/572152905.db2.gz LJEIUUBZLKIRLN-NJTBCWBZSA-N 1 1 537.638 4.128 50 10 KICAMO Oc1c(I)cc(I)cc1CN1CCC([NH+]2CCCCC2)CC1 ZINC000241776843 572197015 /nfs/dbraw/zinc/19/70/15/572197015.db2.gz RTBYIVHUXYNQCF-UHFFFAOYSA-N 1 1 526.200 4.052 50 10 KICAMO C[N@@H+](CCC[NH2+]Cc1cc(I)cc(I)c1[O-])Cc1ccccc1 ZINC000242164677 572197039 /nfs/dbraw/zinc/19/70/39/572197039.db2.gz WWXXSOLMKLTBFZ-UHFFFAOYSA-N 1 1 536.195 4.213 50 10 KICAMO C[N@H+](CCC[NH2+]Cc1cc(I)cc(I)c1[O-])Cc1ccccc1 ZINC000242164677 572197034 /nfs/dbraw/zinc/19/70/34/572197034.db2.gz WWXXSOLMKLTBFZ-UHFFFAOYSA-N 1 1 536.195 4.213 50 10 KICAMO COc1ccc(CN2C(=O)[C@]3(SC2=S)[C@@H](c2ccco2)C[N@@H+](C)[C@]32C(=O)N(C)c3ccc(F)cc32)cc1 ZINC000245246063 572218582 /nfs/dbraw/zinc/21/85/82/572218582.db2.gz GYDZPKJRCCKGEO-LNYUQPRGSA-N 1 1 537.638 4.128 50 10 KICAMO COc1ccc(CN2C(=O)[C@]3(SC2=S)[C@@H](c2ccco2)C[N@H+](C)[C@]32C(=O)N(C)c3ccc(F)cc32)cc1 ZINC000245246063 572218581 /nfs/dbraw/zinc/21/85/81/572218581.db2.gz GYDZPKJRCCKGEO-LNYUQPRGSA-N 1 1 537.638 4.128 50 10 KICAMO COc1ccc(CN2C(=O)[C@]3(SC2=S)[C@H](c2ccco2)C[N@@H+](C)[C@]32C(=O)N(C)c3ccc(F)cc32)cc1 ZINC000245246064 572218860 /nfs/dbraw/zinc/21/88/60/572218860.db2.gz GYDZPKJRCCKGEO-MHBGZZOHSA-N 1 1 537.638 4.128 50 10 KICAMO COc1ccc(CN2C(=O)[C@]3(SC2=S)[C@H](c2ccco2)C[N@H+](C)[C@]32C(=O)N(C)c3ccc(F)cc32)cc1 ZINC000245246064 572218857 /nfs/dbraw/zinc/21/88/57/572218857.db2.gz GYDZPKJRCCKGEO-MHBGZZOHSA-N 1 1 537.638 4.128 50 10 KICAMO COc1ccc2c(c1)[C@]1(C(=O)N2C)[N@@H+](C)C[C@@H](c2cccs2)[C@]12SC(=S)N(Cc1ccco1)C2=O ZINC000245246187 572218757 /nfs/dbraw/zinc/21/87/57/572218757.db2.gz JSFJINBXYPDTFB-PISWEHOVSA-N 1 1 525.677 4.050 50 10 KICAMO COc1ccc2c(c1)[C@]1(C(=O)N2C)[N@H+](C)C[C@@H](c2cccs2)[C@]12SC(=S)N(Cc1ccco1)C2=O ZINC000245246187 572218754 /nfs/dbraw/zinc/21/87/54/572218754.db2.gz JSFJINBXYPDTFB-PISWEHOVSA-N 1 1 525.677 4.050 50 10 KICAMO COc1cccc([C@@H]2C[N@@H+](C)[C@]3(C(=O)N(C)c4ccc(F)cc43)[C@@]23SC(=S)N(Cc2ccco2)C3=O)c1 ZINC000245246427 572219209 /nfs/dbraw/zinc/21/92/09/572219209.db2.gz LJEIUUBZLKIRLN-GCCWUPBUSA-N 1 1 537.638 4.128 50 10 KICAMO COc1cccc([C@@H]2C[N@H+](C)[C@]3(C(=O)N(C)c4ccc(F)cc43)[C@@]23SC(=S)N(Cc2ccco2)C3=O)c1 ZINC000245246427 572219208 /nfs/dbraw/zinc/21/92/08/572219208.db2.gz LJEIUUBZLKIRLN-GCCWUPBUSA-N 1 1 537.638 4.128 50 10 KICAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@@H+](C)C[C@H](c2cccc([N+](=O)[O-])c2)[C@@]12SC(=S)N(Cc1ccco1)C2=O ZINC000247722398 572243765 /nfs/dbraw/zinc/24/37/65/572243765.db2.gz BNLSNCSCPDAPFO-ZFWHIUCFSA-N 1 1 548.646 4.426 50 10 KICAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@H+](C)C[C@H](c2cccc([N+](=O)[O-])c2)[C@@]12SC(=S)N(Cc1ccco1)C2=O ZINC000247722398 572243763 /nfs/dbraw/zinc/24/37/63/572243763.db2.gz BNLSNCSCPDAPFO-ZFWHIUCFSA-N 1 1 548.646 4.426 50 10 KICAMO C[N@H+]1CCN(CCC[NH2+]Cc2cc(I)cc(I)c2[O-])[C@H](c2ccccc2)C1 ZINC000252527932 572262453 /nfs/dbraw/zinc/26/24/53/572262453.db2.gz DSWORGPMDDBZOP-FQEVSTJZSA-N 1 1 591.275 4.070 50 10 KICAMO C[N@H+]1CCN(CCC[NH2+]Cc2cc(I)cc(I)c2[O-])[C@@H](c2ccccc2)C1 ZINC000252527933 572262504 /nfs/dbraw/zinc/26/25/04/572262504.db2.gz DSWORGPMDDBZOP-HXUWFJFHSA-N 1 1 591.275 4.070 50 10 KICAMO [O-]c1c(I)cc(I)cc1C[NH+]1CCC(C[NH+]2CCCCC2)CC1 ZINC000252539848 572263103 /nfs/dbraw/zinc/26/31/03/572263103.db2.gz ONAVHWVAQQQECD-UHFFFAOYSA-N 1 1 540.227 4.299 50 10 KICAMO Oc1c(I)cc(I)cc1CN1CCC(C[NH+]2CCCCC2)CC1 ZINC000252539848 572263102 /nfs/dbraw/zinc/26/31/02/572263102.db2.gz ONAVHWVAQQQECD-UHFFFAOYSA-N 1 1 540.227 4.299 50 10 KICAMO