smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)NC1CCN(C(=O)C[C@@]2(COc3cc(C)c(Cl)c(C)c3)C[N@H+](Cc3cc(C(C)(C)C)ccc3O)CCO2)CC1 ZINC000585286729 1071040520 /nfs/dbraw/zinc/04/05/20/1071040520.db2.gz UKCDRVWHWQKFAE-XIFFEERXSA-N 1 1 600.200 5.127 40 10 KKCBMO CC(=O)NC1CCN(C(=O)C[C@@]2(COc3cc(C)c(Cl)c(C)c3)C[N@@H+](Cc3cc(C(C)(C)C)ccc3O)CCO2)CC1 ZINC000585286729 1071040530 /nfs/dbraw/zinc/04/05/30/1071040530.db2.gz UKCDRVWHWQKFAE-XIFFEERXSA-N 1 1 600.200 5.127 40 10 KKCBMO CN(C)c1ccc([C@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000020192092 553605892 /nfs/dbraw/zinc/60/58/92/553605892.db2.gz VGWCVOKFLCZQPG-WJOKGBTCSA-N 1 1 513.770 6.960 40 10 KKCBMO O=[N+]([O-])c1cccc2nc3ccccc3c(NCCCCNc3c4ccccc4[nH+]c4cccc([N+](=O)[O-])c43)c21 ZINC000073371611 553653587 /nfs/dbraw/zinc/65/35/87/553653587.db2.gz FGUMIPRKPHUGLM-UHFFFAOYSA-N 1 1 532.560 7.210 40 10 KKCBMO CC[NH+](CC)Cc1cc(C)c(O)c(N=Nc2cc(OC)c(N=Nc3ccc([N+](=O)[O-])cc3)cc2OC)c1C ZINC000104199331 571376806 /nfs/dbraw/zinc/37/68/06/571376806.db2.gz HCMINFMFLJVSFS-GILIAAGRSA-N 1 1 520.590 7.607 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)cc1 ZINC000223387916 571469815 /nfs/dbraw/zinc/46/98/15/571469815.db2.gz SXUROBZEZXPAMO-IHLOFXLRSA-N 1 1 509.723 6.508 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4C[C@H](C)C[C@H](C)C4)c(Cl)c3)c2C)cc1 ZINC000224132811 571483006 /nfs/dbraw/zinc/48/30/06/571483006.db2.gz YBXRWHFILGLTIN-ZHCFPJTISA-N 1 1 641.329 8.648 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C)cc3)c2C)cc1 ZINC000224205645 571496455 /nfs/dbraw/zinc/49/64/55/571496455.db2.gz RYUUIYSCJFDVRO-IHLOFXLRSA-N 1 1 509.723 6.821 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)cc1 ZINC000224402441 571538331 /nfs/dbraw/zinc/53/83/31/571538331.db2.gz ILPYHTPTCQKIHZ-URLMMPGGSA-N 1 1 513.686 6.652 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)cc1 ZINC000224435613 571545309 /nfs/dbraw/zinc/54/53/09/571545309.db2.gz NDRBXWQWZUGREW-VMPREFPWSA-N 1 1 513.686 6.652 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)cc1 ZINC000224435533 571545362 /nfs/dbraw/zinc/54/53/62/571545362.db2.gz NDRBXWQWZUGREW-WDYNHAJCSA-N 1 1 513.686 6.652 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)cc1 ZINC000224466946 571552691 /nfs/dbraw/zinc/55/26/91/571552691.db2.gz JJXWZXSJKKDHBV-WDYNHAJCSA-N 1 1 530.141 7.166 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)cc1 ZINC000223861047 571563412 /nfs/dbraw/zinc/56/34/12/571563412.db2.gz NOXBIXKNWGTMAC-WDYNHAJCSA-N 1 1 511.695 6.218 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cccc(OC)c3)c2C)cc1 ZINC000224534568 571568459 /nfs/dbraw/zinc/56/84/59/571568459.db2.gz CRVQNCLLEMXMJZ-LOYHVIPDSA-N 1 1 525.722 6.521 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cccc(OC)c3)c2C)cc1 ZINC000224534718 571568656 /nfs/dbraw/zinc/56/86/56/571568656.db2.gz CRVQNCLLEMXMJZ-KYJUHHDHSA-N 1 1 525.722 6.521 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4)cc3)c2C)cc1 ZINC000224639911 571592836 /nfs/dbraw/zinc/59/28/36/571592836.db2.gz KZVWHZLZKIIMBY-GPOMZPHUSA-N 1 1 587.793 8.305 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4C)cc3)c2C)cc1 ZINC000224673543 571600367 /nfs/dbraw/zinc/60/03/67/571600367.db2.gz OVBXXYZEHGKDKK-MPQUPPDSSA-N 1 1 601.820 8.613 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OCCOC)c(Cl)c3)c2C)cc1 ZINC000224056286 571603325 /nfs/dbraw/zinc/60/33/25/571603325.db2.gz QOLTUCYZQHZMCS-ZWXJPIIXSA-N 1 1 604.220 7.191 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(C)c3)c2C)cc1 ZINC000224094879 571609176 /nfs/dbraw/zinc/60/91/76/571609176.db2.gz PJZOCLCQPJHELY-CZNDPXEESA-N 1 1 594.829 7.415 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)cc3OC)c2C)cc1 ZINC000224809123 571619130 /nfs/dbraw/zinc/61/91/30/571619130.db2.gz ACTOIVVPDDAXGN-FIRIVFDPSA-N 1 1 555.748 6.530 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)cc3OC)c2C)cc1 ZINC000224809254 571619170 /nfs/dbraw/zinc/61/91/70/571619170.db2.gz ACTOIVVPDDAXGN-CONSDPRKSA-N 1 1 555.748 6.530 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(OC)ccc3OC)c2C)cc1 ZINC000224841920 571622396 /nfs/dbraw/zinc/62/23/96/571622396.db2.gz VPDFUQCYQMPWQV-CONSDPRKSA-N 1 1 555.748 6.530 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Br)c(C)c3)c2C)cc1 ZINC000224931531 571631194 /nfs/dbraw/zinc/63/11/94/571631194.db2.gz KQEOVKLVFKNOSQ-KYJUHHDHSA-N 1 1 588.619 7.583 40 10 KKCBMO CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([NH+](CC)CC)cc3)c2C)cc1OC ZINC000225188969 571656162 /nfs/dbraw/zinc/65/61/62/571656162.db2.gz GXYVXXAOLQZFDE-JHOUSYSJSA-N 1 1 596.801 6.870 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NC(=O)COC)c3)c2C)cc1 ZINC000225298044 571668311 /nfs/dbraw/zinc/66/83/11/571668311.db2.gz SHUDQFLXSDBCLS-JHOUSYSJSA-N 1 1 612.800 6.106 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC(C)C)cc3)c2C)cc1 ZINC000225346292 571706285 /nfs/dbraw/zinc/70/62/85/571706285.db2.gz HVPQXZLHDVPVLY-ROJLCIKYSA-N 1 1 553.776 7.300 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC4CCCC4)cc3)c2C)cc1 ZINC000225372208 571737809 /nfs/dbraw/zinc/73/78/09/571737809.db2.gz IQFWKVICFRMLHW-HEVIKAOCSA-N 1 1 579.814 7.834 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3)c2C)cc1 ZINC000225530164 571897285 /nfs/dbraw/zinc/89/72/85/571897285.db2.gz SCMSIGMQUPWAHE-AJQTZOPKSA-N 1 1 566.775 6.337 40 10 KKCBMO CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc([NH+](CC)CC)cc2)c1C ZINC000225551306 571914204 /nfs/dbraw/zinc/91/42/04/571914204.db2.gz UUAMYGDUNXFVGD-SZAHLOSFSA-N 1 1 594.829 6.899 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3F)c2C)cc1 ZINC000225613442 571965043 /nfs/dbraw/zinc/96/50/43/571965043.db2.gz JBDFKNIMVZSJSI-ROJLCIKYSA-N 1 1 584.765 6.476 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3F)c2C)cc1 ZINC000225613535 571965153 /nfs/dbraw/zinc/96/51/53/571965153.db2.gz JBDFKNIMVZSJSI-ACHIHNKUSA-N 1 1 584.765 6.476 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cc(C)ccc3C)c2C)cc1 ZINC000225631355 571983787 /nfs/dbraw/zinc/98/37/87/571983787.db2.gz VKQQNLNDSAWFLX-SZAHLOSFSA-N 1 1 594.829 6.953 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc4ccccc43)c2C)cc1 ZINC000225706701 572037243 /nfs/dbraw/zinc/03/72/43/572037243.db2.gz IFBOAFPXHNVKDB-MPQUPPDSSA-N 1 1 616.835 7.490 40 10 KKCBMO Cc1cc(CN(Cc2nc3ccccc3[nH]2)Cc2nc3ccccc3[nH]2)c(O)c(C[N@H+](Cc2nc3ccccc3[nH]2)Cc2ccccc2)c1 ZINC000082190186 553675851 /nfs/dbraw/zinc/67/58/51/553675851.db2.gz YOAVTOZKRIFUPD-UHFFFAOYSA-N 1 1 646.799 7.734 40 10 KKCBMO Cc1cc(CN(Cc2nc3ccccc3[nH]2)Cc2nc3ccccc3[nH]2)c(O)c(C[N@@H+](Cc2nc3ccccc3[nH]2)Cc2ccccc2)c1 ZINC000082190186 553675854 /nfs/dbraw/zinc/67/58/54/553675854.db2.gz YOAVTOZKRIFUPD-UHFFFAOYSA-N 1 1 646.799 7.734 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)cc1 ZINC000223187559 571442688 /nfs/dbraw/zinc/44/26/88/571442688.db2.gz FUPSFVDUCHBEQM-XZWHSSHBSA-N 1 1 546.785 5.030 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)cc1 ZINC000223387865 571469771 /nfs/dbraw/zinc/46/97/71/571469771.db2.gz SXUROBZEZXPAMO-LOYHVIPDSA-N 1 1 509.723 6.508 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)cc1 ZINC000223499959 571487630 /nfs/dbraw/zinc/48/76/30/571487630.db2.gz WCKHFVMSBVOGTK-FQLXRVMXSA-N 1 1 510.711 5.903 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(C)cc(C)c3)c2C)cc1 ZINC000224304242 571517934 /nfs/dbraw/zinc/51/79/34/571517934.db2.gz YDWRBZRWNQNWNG-JSOSNVBQSA-N 1 1 523.750 7.129 40 10 KKCBMO CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([NH+](CC)CC)cc3)c2C)cc1 ZINC000224338372 571525464 /nfs/dbraw/zinc/52/54/64/571525464.db2.gz OVMVWTWRSXSVNM-IOWSJCHKSA-N 1 1 523.750 7.075 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)cc3)c2C)cc1 ZINC000223763185 571539936 /nfs/dbraw/zinc/53/99/36/571539936.db2.gz ULHBZEPINZQVSJ-XZWHSSHBSA-N 1 1 525.722 6.521 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)c2C)cc1 ZINC000224498576 571560818 /nfs/dbraw/zinc/56/08/18/571560818.db2.gz WMNKYUZASLRJRG-URLMMPGGSA-N 1 1 574.592 7.275 40 10 KKCBMO C[NH+]1CCN(c2ccc3nc(-c4cc(C(C)(C)C)c(OCCCC(=O)NCCCN=[N+]=[N-])c(C(C)(C)C)c4)[nH]c3c2)CC1 ZINC000210411100 571575951 /nfs/dbraw/zinc/57/59/51/571575951.db2.gz LTPQCIXFOJELHJ-UHFFFAOYSA-N 1 1 588.801 6.552 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)cc1 ZINC000224017037 571595956 /nfs/dbraw/zinc/59/59/56/571595956.db2.gz BNTWXLGFTDYDDE-LOYHVIPDSA-N 1 1 539.705 6.241 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)cc1 ZINC000224901649 571628300 /nfs/dbraw/zinc/62/83/00/571628300.db2.gz NHNXOWFAQCYHEJ-XZWHSSHBSA-N 1 1 527.713 6.960 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Br)c(C)c3)c2C)cc1 ZINC000224931410 571631227 /nfs/dbraw/zinc/63/12/27/571631227.db2.gz KQEOVKLVFKNOSQ-LOYHVIPDSA-N 1 1 588.619 7.583 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)(C)C)c(OC)c3)c2C)cc1 ZINC000225104430 571647607 /nfs/dbraw/zinc/64/76/07/571647607.db2.gz YXEWHFMPPYBHCB-SAIUNTKASA-N 1 1 624.855 7.506 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(Cl)c3)c2C)cc1 ZINC000225133017 571650440 /nfs/dbraw/zinc/65/04/40/571650440.db2.gz KQUUSWACTJNYEO-AJQTZOPKSA-N 1 1 615.247 7.760 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4C[C@@H](C)C[C@H](C)C4)c(Cl)c3)c2C)cc1 ZINC000260927068 571868019 /nfs/dbraw/zinc/86/80/19/571868019.db2.gz YBXRWHFILGLTIN-KBGNPAQCSA-N 1 1 641.329 8.648 40 10 KKCBMO CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc([NH+](CC)CC)cc2)c1C ZINC000225551331 571914037 /nfs/dbraw/zinc/91/40/37/571914037.db2.gz UUAMYGDUNXFVGD-KKLWWLSJSA-N 1 1 594.829 6.899 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(F)cc3)c2C)cc1 ZINC000225593197 571948765 /nfs/dbraw/zinc/94/87/65/571948765.db2.gz IGTLKEPOHADLKE-ZWXJPIIXSA-N 1 1 584.765 6.476 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cc(C)ccc3C)c2C)cc1 ZINC000225631300 571983257 /nfs/dbraw/zinc/98/32/57/571983257.db2.gz VKQQNLNDSAWFLX-KKLWWLSJSA-N 1 1 594.829 6.953 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc(C)c3)c2C)cc1 ZINC000225649036 571997760 /nfs/dbraw/zinc/99/77/60/571997760.db2.gz UOYFRZUUWDZKPN-JHOUSYSJSA-N 1 1 580.802 6.645 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(C)c(C)c4)C3=O)c2C)cc1 ZINC000408928453 1070251309 /nfs/dbraw/zinc/25/13/09/1070251309.db2.gz BLMIFJPWTVGBAN-WPWMEQJKSA-N 1 1 530.694 6.232 40 10 KKCBMO O=[N+]([O-])c1cccc2nc3ccccc3c(NCCCCCNc3c4ccccc4[nH+]c4cccc([N+](=O)[O-])c43)c21 ZINC000073329899 553653395 /nfs/dbraw/zinc/65/33/95/553653395.db2.gz NNOSNVDRJWZODO-UHFFFAOYSA-N 1 1 546.587 7.600 40 10 KKCBMO COc1ccc(CN2C(=O)[C@@]3(SC2=S)[C@@H](c2ccc(Cl)cc2)C[N@H+](C)[C@@]32C(=O)Nc3ccccc32)cc1 ZINC000098007406 554064107 /nfs/dbraw/zinc/06/41/07/554064107.db2.gz VSECMWWPNZFSJB-WWEDSPNTSA-N 1 1 550.105 5.025 40 10 KKCBMO COc1ccc(CN2C(=O)[C@@]3(SC2=S)[C@@H](c2ccc(Cl)cc2)C[N@@H+](C)[C@@]32C(=O)Nc3ccccc32)cc1 ZINC000098007406 554064109 /nfs/dbraw/zinc/06/41/09/554064109.db2.gz VSECMWWPNZFSJB-WWEDSPNTSA-N 1 1 550.105 5.025 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)c2C)cc1 ZINC000223312095 571459181 /nfs/dbraw/zinc/45/91/81/571459181.db2.gz SEZHOYUJKJCKBY-WIRXVTQYSA-N 1 1 503.716 5.487 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)cc1 ZINC000223463973 571480734 /nfs/dbraw/zinc/48/07/34/571480734.db2.gz KDCPTZBQZVZDSH-URLMMPGGSA-N 1 1 510.711 5.903 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4C[C@H](C)C[C@H](C)C4)c(Cl)c3)c2C)cc1 ZINC000224132724 571482936 /nfs/dbraw/zinc/48/29/36/571482936.db2.gz YBXRWHFILGLTIN-TXAVTFGTSA-N 1 1 641.329 8.648 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C)cc3)c2C)cc1 ZINC000224205733 571496450 /nfs/dbraw/zinc/49/64/50/571496450.db2.gz RYUUIYSCJFDVRO-KYJUHHDHSA-N 1 1 509.723 6.821 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C)cc3)c2C)cc1 ZINC000224205678 571496469 /nfs/dbraw/zinc/49/64/69/571496469.db2.gz RYUUIYSCJFDVRO-XZWHSSHBSA-N 1 1 509.723 6.821 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)cc1 ZINC000224370358 571531775 /nfs/dbraw/zinc/53/17/75/571531775.db2.gz ILNSABGQPKBIKI-ROJLCIKYSA-N 1 1 537.777 7.636 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCC(=O)OC)c2C)cc1 ZINC000223725671 571533245 /nfs/dbraw/zinc/53/32/45/571533245.db2.gz OZSBGBCCTXHUTA-IZLXSDGUSA-N 1 1 519.715 5.261 40 10 KKCBMO CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([NH+](CC)CC)cc3)c2C)cc1 ZINC000223801645 571546674 /nfs/dbraw/zinc/54/66/74/571546674.db2.gz NCMSNUOKZSMPJA-IOWSJCHKSA-N 1 1 539.749 6.911 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)cc1 ZINC000223861173 571563579 /nfs/dbraw/zinc/56/35/79/571563579.db2.gz NOXBIXKNWGTMAC-VMPREFPWSA-N 1 1 511.695 6.218 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4)cc3)c2C)cc1 ZINC000224639950 571592829 /nfs/dbraw/zinc/59/28/29/571592829.db2.gz KZVWHZLZKIIMBY-OIDHKYIRSA-N 1 1 587.793 8.305 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)cc1 ZINC000224017191 571595969 /nfs/dbraw/zinc/59/59/69/571595969.db2.gz BNTWXLGFTDYDDE-KYJUHHDHSA-N 1 1 539.705 6.241 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)cc1 ZINC000224017134 571595986 /nfs/dbraw/zinc/59/59/86/571595986.db2.gz BNTWXLGFTDYDDE-XZWHSSHBSA-N 1 1 539.705 6.241 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COc4ccccc4)cc3)c2C)cc1 ZINC000225075568 571644578 /nfs/dbraw/zinc/64/45/78/571644578.db2.gz QZQIHJWFYFVECQ-PQQNNWGCSA-N 1 1 644.845 7.530 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)(C)C)c(OC)c3)c2C)cc1 ZINC000225104514 571647654 /nfs/dbraw/zinc/64/76/54/571647654.db2.gz YXEWHFMPPYBHCB-LQJZCPKCSA-N 1 1 624.855 7.506 40 10 KKCBMO CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([NH+](CC)CC)cc3)c2C)cc1C ZINC000225160681 571653328 /nfs/dbraw/zinc/65/33/28/571653328.db2.gz VAAHVIIIPUVBTB-LQJZCPKCSA-N 1 1 580.802 7.169 40 10 KKCBMO CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([NH+](CC)CC)cc3)c2C)cc1C ZINC000225160813 571653360 /nfs/dbraw/zinc/65/33/60/571653360.db2.gz VAAHVIIIPUVBTB-CZNDPXEESA-N 1 1 580.802 7.169 40 10 KKCBMO CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([NH+](CC)CC)cc3)c2C)cc1OC ZINC000225188933 571656111 /nfs/dbraw/zinc/65/61/11/571656111.db2.gz GXYVXXAOLQZFDE-SAIUNTKASA-N 1 1 596.801 6.870 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COC)c(Cl)c3)c2C)cc1 ZINC000225244997 571662015 /nfs/dbraw/zinc/66/20/15/571662015.db2.gz UKMKITVWGPPEAI-ZWXJPIIXSA-N 1 1 617.219 6.751 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NC(C)=O)c3)c2C)cc1 ZINC000225320911 571676434 /nfs/dbraw/zinc/67/64/34/571676434.db2.gz SCQIFQAQUFGJDT-AJQTZOPKSA-N 1 1 582.774 6.479 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)cc3)c2C)cc1 ZINC000225397517 571767662 /nfs/dbraw/zinc/76/76/62/571767662.db2.gz XODCTZSMTAFCBX-IHLOFXLRSA-N 1 1 588.803 5.884 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C[C@H]3CCCO3)c2C)cc1 ZINC000260924217 571862306 /nfs/dbraw/zinc/86/23/06/571862306.db2.gz SEZHOYUJKJCKBY-FQLPYIGMSA-N 1 1 503.716 5.487 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4C[C@H](C)C[C@@H](C)C4)c(Cl)c3)c2C)cc1 ZINC000260927075 571868146 /nfs/dbraw/zinc/86/81/46/571868146.db2.gz YBXRWHFILGLTIN-PRGAFZJDSA-N 1 1 641.329 8.648 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3)c2C)cc1 ZINC000225530110 571896886 /nfs/dbraw/zinc/89/68/86/571896886.db2.gz SCMSIGMQUPWAHE-ROJLCIKYSA-N 1 1 566.775 6.337 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc(C)c3)c2C)cc1 ZINC000225649009 571997788 /nfs/dbraw/zinc/99/77/88/571997788.db2.gz UOYFRZUUWDZKPN-SAIUNTKASA-N 1 1 580.802 6.645 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc4ccccc43)c2C)cc1 ZINC000225706728 572037197 /nfs/dbraw/zinc/03/71/97/572037197.db2.gz IFBOAFPXHNVKDB-ZPGRZCPFSA-N 1 1 616.835 7.490 40 10 KKCBMO Cc1cc(OC[C@@]2(CC(=O)N3CCOCC3)CCC[N@@H+](Cc3ccc(N4CCCC4)cc3)C2)ccc1Cl ZINC000257288095 572314782 /nfs/dbraw/zinc/31/47/82/572314782.db2.gz PSUCOGLGDOMQAH-SSEXGKCCSA-N 1 1 526.121 5.159 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4cccc(F)c4)C3=O)c2C)cc1 ZINC000409221189 1073000462 /nfs/dbraw/zinc/00/04/62/1073000462.db2.gz MIDURNHKAFRIET-MFKUBSTISA-N 1 1 520.630 5.754 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(OC)cc4)C3=O)c2C)cc1 ZINC000409236700 1073037578 /nfs/dbraw/zinc/03/75/78/1073037578.db2.gz GKOFXCBNZVVKFR-YZSQISJMSA-N 1 1 532.666 5.624 40 10 KKCBMO O=[N+]([O-])c1cccc2nc3ccccc3c(NCCCNc3c4ccccc4[nH+]c4cccc([N+](=O)[O-])c43)c21 ZINC000005844303 552510929 /nfs/dbraw/zinc/51/09/29/552510929.db2.gz SWTNGUJPNWBOQC-UHFFFAOYSA-N 1 1 518.533 6.820 40 10 KKCBMO COc1ccc([C@H](c2cc3c(cc2O)OCO3)N2CC[NH+]([C@@H](c3ccc(OC)cc3)c3cc4c(cc3O)OCO4)CC2)cc1 ZINC000022859545 553762200 /nfs/dbraw/zinc/76/22/00/553762200.db2.gz OJZZRJOIPSIXRU-AQOUDTPCSA-N 1 1 598.652 5.069 40 10 KKCBMO COc1ccc([C@H](c2cc3c(cc2O)OCO3)[NH+]2CCN([C@@H](c3ccc(OC)cc3)c3cc4c(cc3O)OCO4)CC2)cc1 ZINC000022859545 553762202 /nfs/dbraw/zinc/76/22/02/553762202.db2.gz OJZZRJOIPSIXRU-AQOUDTPCSA-N 1 1 598.652 5.069 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)cc1 ZINC000223100462 571431119 /nfs/dbraw/zinc/43/11/19/571431119.db2.gz LUHXYSDNVMKBDE-WDYNHAJCSA-N 1 1 501.744 6.641 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccc(OC)cc3)c2C)cc1 ZINC000223424325 571474516 /nfs/dbraw/zinc/47/45/16/571474516.db2.gz VPLHUDQUKWYJEZ-IOWSJCHKSA-N 1 1 539.749 6.517 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C)cc3)c2C)cc1 ZINC000224205588 571496437 /nfs/dbraw/zinc/49/64/37/571496437.db2.gz RYUUIYSCJFDVRO-LOYHVIPDSA-N 1 1 509.723 6.821 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cccc(C)c3)c2C)cc1 ZINC000224237847 571504126 /nfs/dbraw/zinc/50/41/26/571504126.db2.gz RIXCDTIQKCMKGN-LOYHVIPDSA-N 1 1 509.723 6.821 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)cc1 ZINC000224402491 571538475 /nfs/dbraw/zinc/53/84/75/571538475.db2.gz ILPYHTPTCQKIHZ-VMPREFPWSA-N 1 1 513.686 6.652 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)cc3)c2C)cc1 ZINC000223763242 571540105 /nfs/dbraw/zinc/54/01/05/571540105.db2.gz ULHBZEPINZQVSJ-KYJUHHDHSA-N 1 1 525.722 6.521 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)cc1 ZINC000224435559 571545288 /nfs/dbraw/zinc/54/52/88/571545288.db2.gz NDRBXWQWZUGREW-URLMMPGGSA-N 1 1 513.686 6.652 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)cc1 ZINC000224606019 571585162 /nfs/dbraw/zinc/58/51/62/571585162.db2.gz MWYSEPPMWLJDEX-WDYNHAJCSA-N 1 1 511.695 6.218 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4C)cc3)c2C)cc1 ZINC000224673441 571600337 /nfs/dbraw/zinc/60/03/37/571600337.db2.gz OVBXXYZEHGKDKK-LQFQNGICSA-N 1 1 601.820 8.613 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccc(C)cc4)cc3)c2C)cc1 ZINC000224707755 571607274 /nfs/dbraw/zinc/60/72/74/571607274.db2.gz ACXVVCRZNAHBIG-ZPGRZCPFSA-N 1 1 601.820 8.613 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)cc1 ZINC000224776104 571615982 /nfs/dbraw/zinc/61/59/82/571615982.db2.gz PODOVWRAFPLHQK-OIDHKYIRSA-N 1 1 648.858 8.572 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(Cl)c3)c2C)cc1 ZINC000224960869 571634101 /nfs/dbraw/zinc/63/41/01/571634101.db2.gz KWHZAGNYQVHBLM-IHLOFXLRSA-N 1 1 560.167 7.174 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4CCC(C)CC4)c(Cl)c3)c2C)cc1 ZINC000224989578 571636844 /nfs/dbraw/zinc/63/68/44/571636844.db2.gz CIMZTTXDSFUCPH-GPOMZPHUSA-N 1 1 627.302 8.402 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(Cl)c3)c2C)cc1 ZINC000225133055 571650450 /nfs/dbraw/zinc/65/04/50/571650450.db2.gz KQUUSWACTJNYEO-ACHIHNKUSA-N 1 1 615.247 7.760 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COC)c(Cl)c3)c2C)cc1 ZINC000225244968 571661983 /nfs/dbraw/zinc/66/19/83/571661983.db2.gz UKMKITVWGPPEAI-ROJLCIKYSA-N 1 1 617.219 6.751 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COC)c(C)c3)c2C)cc1 ZINC000225271262 571665103 /nfs/dbraw/zinc/66/51/03/571665103.db2.gz NFYRIIMWOKKHPV-LQJZCPKCSA-N 1 1 596.801 6.406 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NC(C)=O)c3)c2C)cc1 ZINC000225320881 571676267 /nfs/dbraw/zinc/67/62/67/571676267.db2.gz SCQIFQAQUFGJDT-ZWXJPIIXSA-N 1 1 582.774 6.479 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)c2C)cc1 ZINC000225506938 571877655 /nfs/dbraw/zinc/87/76/55/571877655.db2.gz GVVFBGHZUDTUEQ-CONSDPRKSA-N 1 1 552.748 5.947 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(C)cc3)c2C)cc1 ZINC000225572563 571933550 /nfs/dbraw/zinc/93/35/50/571933550.db2.gz KGSWXZGRFQFZQQ-JHOUSYSJSA-N 1 1 580.802 6.645 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cc(C)ccc3C)c2C)cc1 ZINC000225631329 571983393 /nfs/dbraw/zinc/98/33/93/571983393.db2.gz VKQQNLNDSAWFLX-NOCHOARKSA-N 1 1 594.829 6.953 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc4ccccc43)c2C)cc1 ZINC000225706648 572037188 /nfs/dbraw/zinc/03/71/88/572037188.db2.gz IFBOAFPXHNVKDB-LQFQNGICSA-N 1 1 616.835 7.490 40 10 KKCBMO Cc1cc(OC[C@@]2(CC(=O)N(C)Cc3ccccc3)CCC[N@@H+](Cc3ccc(N4CCCC4)cc3)C2)ccc1Cl ZINC000257254700 572311496 /nfs/dbraw/zinc/31/14/96/572311496.db2.gz KEHIEWUHWXWFHI-UUWRZZSWSA-N 1 1 560.182 6.959 40 10 KKCBMO Cc1cc(OC[C@]2(CC(=O)N3CCOCC3)CCC[N@@H+](Cc3ccc(N4CCCC4)cc3)C2)ccc1Cl ZINC000257288094 572314752 /nfs/dbraw/zinc/31/47/52/572314752.db2.gz PSUCOGLGDOMQAH-PMERELPUSA-N 1 1 526.121 5.159 40 10 KKCBMO C[NH+]1CCN(c2ccc(/C=C3/SC(=S)N(c4cccc(C(=O)Nc5ccc(F)cc5)c4)C3=O)cc2[N+](=O)[O-])CC1 ZINC000409095466 1072239965 /nfs/dbraw/zinc/23/99/65/1072239965.db2.gz HOTVPRNORBOAGU-PCLIKHOPSA-N 1 1 577.663 5.144 40 10 KKCBMO CC[NH+](CC)Cc1cc(C)c(O)c(N=Nc2cc(OC)c(N=Nc3ccc([N+](=O)[O-])cc3)cc2OC)c1C ZINC000005492591 552503021 /nfs/dbraw/zinc/50/30/21/552503021.db2.gz HCMINFMFLJVSFS-DUJDKOHPSA-N 1 1 520.590 7.607 40 10 KKCBMO COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCN(Cc3cc(OC)c(OC)c(OC)c3)Cc3cc(OC)c(OC)c(OC)c3)c2c1 ZINC000082170355 553674218 /nfs/dbraw/zinc/67/42/18/553674218.db2.gz QWYQSFYCOBJJAM-UHFFFAOYSA-N 1 1 676.210 7.606 40 10 KKCBMO COc1ccc([C@@H](c2cc3c(cc2O)OCO3)N2CC[NH+]([C@@H](c3ccc(OC)cc3)c3cc4c(cc3O)OCO4)CC2)cc1 ZINC000022859543 553762221 /nfs/dbraw/zinc/76/22/21/553762221.db2.gz OJZZRJOIPSIXRU-HEVIKAOCSA-N 1 1 598.652 5.069 40 10 KKCBMO COc1ccc(CN2C(=O)[C@@]3(SC2=S)[C@H](c2ccc(Cl)cc2)C[N@H+](C)[C@@]32C(=O)Nc3ccccc32)cc1 ZINC000098007407 554064266 /nfs/dbraw/zinc/06/42/66/554064266.db2.gz VSECMWWPNZFSJB-FAQZDJIUSA-N 1 1 550.105 5.025 40 10 KKCBMO COc1ccc(CN2C(=O)[C@@]3(SC2=S)[C@H](c2ccc(Cl)cc2)C[N@@H+](C)[C@@]32C(=O)Nc3ccccc32)cc1 ZINC000098007407 554064269 /nfs/dbraw/zinc/06/42/69/554064269.db2.gz VSECMWWPNZFSJB-FAQZDJIUSA-N 1 1 550.105 5.025 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)c2C)cc1 ZINC000223311966 571459163 /nfs/dbraw/zinc/45/91/63/571459163.db2.gz SEZHOYUJKJCKBY-HNPKZYAISA-N 1 1 503.716 5.487 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccc(OC)cc3)c2C)cc1 ZINC000223424275 571474531 /nfs/dbraw/zinc/47/45/31/571474531.db2.gz VPLHUDQUKWYJEZ-JSOSNVBQSA-N 1 1 539.749 6.517 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)cc1 ZINC000223899311 571570793 /nfs/dbraw/zinc/57/07/93/571570793.db2.gz CGOHTPZQYXPRLP-CONSDPRKSA-N 1 1 538.765 6.578 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3OC)c2C)cc1 ZINC000224569831 571576838 /nfs/dbraw/zinc/57/68/38/571576838.db2.gz DVECFTGUMQCYRM-LOYHVIPDSA-N 1 1 525.722 6.521 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(C)=O)cc3)c2C)cc1 ZINC000223977654 571587453 /nfs/dbraw/zinc/58/74/53/571587453.db2.gz VEFIFJCABCWLMN-IOWSJCHKSA-N 1 1 552.748 6.471 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccc(OC)cc4)cc3)c2C)cc1 ZINC000224742248 571612896 /nfs/dbraw/zinc/61/28/96/571612896.db2.gz MNPOBURLXFFGFI-LQFQNGICSA-N 1 1 617.819 8.313 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)cc1 ZINC000224776013 571615995 /nfs/dbraw/zinc/61/59/95/571615995.db2.gz PODOVWRAFPLHQK-VSJLXWSYSA-N 1 1 648.858 8.572 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(OC)ccc3OC)c2C)cc1 ZINC000224841782 571622380 /nfs/dbraw/zinc/62/23/80/571622380.db2.gz VPDFUQCYQMPWQV-FIRIVFDPSA-N 1 1 555.748 6.530 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(OC)ccc3OC)c2C)cc1 ZINC000224841824 571622407 /nfs/dbraw/zinc/62/24/07/571622407.db2.gz VPDFUQCYQMPWQV-JSOSNVBQSA-N 1 1 555.748 6.530 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)c2C)cc1 ZINC000224872174 571625349 /nfs/dbraw/zinc/62/53/49/571625349.db2.gz ZRJAQLAWRCOZIH-URLMMPGGSA-N 1 1 546.140 6.871 40 10 KKCBMO CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([NH+](CC)CC)cc3)c2C)cc1OC ZINC000225188895 571656075 /nfs/dbraw/zinc/65/60/75/571656075.db2.gz GXYVXXAOLQZFDE-LQJZCPKCSA-N 1 1 596.801 6.870 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COC)c(C)c3)c2C)cc1 ZINC000225271227 571665086 /nfs/dbraw/zinc/66/50/86/571665086.db2.gz NFYRIIMWOKKHPV-JHOUSYSJSA-N 1 1 596.801 6.406 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC(C)C)cc3)c2C)cc1 ZINC000225346370 571706225 /nfs/dbraw/zinc/70/62/25/571706225.db2.gz HVPQXZLHDVPVLY-AJQTZOPKSA-N 1 1 553.776 7.300 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(C)c3)c2C)cc1 ZINC000225456458 571828131 /nfs/dbraw/zinc/82/81/31/571828131.db2.gz BJKAXWGKQORDHK-FIRIVFDPSA-N 1 1 602.830 6.192 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)c2C)cc1 ZINC000225506833 571877676 /nfs/dbraw/zinc/87/76/76/571877676.db2.gz GVVFBGHZUDTUEQ-FIRIVFDPSA-N 1 1 552.748 5.947 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc(C)c3)c2C)cc1 ZINC000225648986 571997707 /nfs/dbraw/zinc/99/77/07/571997707.db2.gz UOYFRZUUWDZKPN-CZNDPXEESA-N 1 1 580.802 6.645 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3C)c2C)cc1 ZINC000225687318 572023501 /nfs/dbraw/zinc/02/35/01/572023501.db2.gz KERQDLAEHFPLSS-CZNDPXEESA-N 1 1 580.802 6.645 40 10 KKCBMO COc1cc(/C=C2\SC(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)=NC2=O)ccc1OCc1ccccc1 ZINC000100138879 554227308 /nfs/dbraw/zinc/22/73/08/554227308.db2.gz WRUDNFKJIOFLJL-TZHWMEPESA-N 1 1 575.734 6.652 40 10 KKCBMO COc1ccc([C@@H](c2cc3c(cc2O)OCO3)N2CC[NH+]([C@@H](c3ccc(OC)c(OC)c3)c3cc4c(cc3O)OCO4)CC2)cc1OC ZINC000150405384 571479357 /nfs/dbraw/zinc/47/93/57/571479357.db2.gz IDWOJIMHTRKKLT-ZPGRZCPFSA-N 1 1 658.704 5.086 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)cc1 ZINC000223464029 571480713 /nfs/dbraw/zinc/48/07/13/571480713.db2.gz KDCPTZBQZVZDSH-VMPREFPWSA-N 1 1 510.711 5.903 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)cc1 ZINC000223539546 571497943 /nfs/dbraw/zinc/49/79/43/571497943.db2.gz HFFXAPMZLFBBNN-URLMMPGGSA-N 1 1 510.711 5.903 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cccc(C)c3)c2C)cc1 ZINC000224237961 571504089 /nfs/dbraw/zinc/50/40/89/571504089.db2.gz RIXCDTIQKCMKGN-KYJUHHDHSA-N 1 1 509.723 6.821 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)cc1 ZINC000224370444 571531929 /nfs/dbraw/zinc/53/19/29/571531929.db2.gz ILNSABGQPKBIKI-AJQTZOPKSA-N 1 1 537.777 7.636 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)cc1 ZINC000224466978 571552737 /nfs/dbraw/zinc/55/27/37/571552737.db2.gz JJXWZXSJKKDHBV-URLMMPGGSA-N 1 1 530.141 7.166 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)c2C)cc1 ZINC000224498533 571560905 /nfs/dbraw/zinc/56/09/05/571560905.db2.gz WMNKYUZASLRJRG-WDYNHAJCSA-N 1 1 574.592 7.275 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(C)=O)cc3)c2C)cc1 ZINC000223977604 571587465 /nfs/dbraw/zinc/58/74/65/571587465.db2.gz VEFIFJCABCWLMN-JSOSNVBQSA-N 1 1 552.748 6.471 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccc(C)cc4)cc3)c2C)cc1 ZINC000224707712 571607333 /nfs/dbraw/zinc/60/73/33/571607333.db2.gz ACXVVCRZNAHBIG-MPQUPPDSSA-N 1 1 601.820 8.613 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)cc1 ZINC000224776056 571616001 /nfs/dbraw/zinc/61/60/01/571616001.db2.gz PODOVWRAFPLHQK-GPOMZPHUSA-N 1 1 648.858 8.572 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)cc1 ZINC000224901568 571628290 /nfs/dbraw/zinc/62/82/90/571628290.db2.gz NHNXOWFAQCYHEJ-LOYHVIPDSA-N 1 1 527.713 6.960 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)cc1 ZINC000224901688 571628316 /nfs/dbraw/zinc/62/83/16/571628316.db2.gz NHNXOWFAQCYHEJ-KYJUHHDHSA-N 1 1 527.713 6.960 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COC)cc3)c2C)cc1 ZINC000225217341 571658959 /nfs/dbraw/zinc/65/89/59/571658959.db2.gz AXGLTJBANHXVTG-ROJLCIKYSA-N 1 1 582.774 6.097 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC(C)C)cc3)c2C)cc1 ZINC000225346407 571706335 /nfs/dbraw/zinc/70/63/35/571706335.db2.gz HVPQXZLHDVPVLY-ACHIHNKUSA-N 1 1 553.776 7.300 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(OC)c3)c2C)cc1 ZINC000225428284 571795243 /nfs/dbraw/zinc/79/52/43/571795243.db2.gz PTVYNSPXEIHDPG-FIRIVFDPSA-N 1 1 618.829 5.893 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(OC)c3)c2C)cc1 ZINC000225428387 571795819 /nfs/dbraw/zinc/79/58/19/571795819.db2.gz PTVYNSPXEIHDPG-CONSDPRKSA-N 1 1 618.829 5.893 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3OC)c2C)cc1 ZINC000225668436 572010232 /nfs/dbraw/zinc/01/02/32/572010232.db2.gz JWNUXELSCLSRIP-JHOUSYSJSA-N 1 1 596.801 6.345 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc4ccccc43)c2C)cc1 ZINC000225706671 572037176 /nfs/dbraw/zinc/03/71/76/572037176.db2.gz IFBOAFPXHNVKDB-XDSPJLLDSA-N 1 1 616.835 7.490 40 10 KKCBMO CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc([NH+](CC)CC)cc3)c2C)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409012599 1071683429 /nfs/dbraw/zinc/68/34/29/1071683429.db2.gz KQXPNLNRCVFWNG-NLRVBDNBSA-N 1 1 535.113 6.157 40 10 KKCBMO CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc([NH+](CC)CC)cc3)c2C)C1=O ZINC000409247070 1073072847 /nfs/dbraw/zinc/07/28/47/1073072847.db2.gz GDMCURJOLQQAEH-OVVQPSECSA-N 1 1 513.642 5.034 40 10 KKCBMO COc1cc2c(c(Oc3c([O-])c4c(cc3OC)CC[NH+](C)[C@@H]4CC(C)C)c1O)[C@H](CC(C)C)[N@@H+](C)CC2 ZINC000013407286 553459118 /nfs/dbraw/zinc/45/91/18/553459118.db2.gz IPLGVBFSYLBXEF-YADHBBJMSA-N 1 1 512.691 6.058 40 10 KKCBMO COc1cc2c(c(Oc3c([O-])c4c(cc3OC)CC[N@H+](C)[C@@H]4CC(C)C)c1O)[C@H](CC(C)C)[NH+](C)CC2 ZINC000013407286 553459119 /nfs/dbraw/zinc/45/91/19/553459119.db2.gz IPLGVBFSYLBXEF-YADHBBJMSA-N 1 1 512.691 6.058 40 10 KKCBMO COc1cc2c(c(Oc3c([O-])c4c(cc3OC)CC[N@@H+](C)[C@@H]4CC(C)C)c1O)[C@H](CC(C)C)[NH+](C)CC2 ZINC000013407286 553459120 /nfs/dbraw/zinc/45/91/20/553459120.db2.gz IPLGVBFSYLBXEF-YADHBBJMSA-N 1 1 512.691 6.058 40 10 KKCBMO COc1cc2c(c(Oc3c([O-])c4c(cc3OC)CC[NH+](C)[C@H]4CC(C)C)c1O)[C@@H](CC(C)C)[N@@H+](C)CC2 ZINC000035955597 554107814 /nfs/dbraw/zinc/10/78/14/554107814.db2.gz IPLGVBFSYLBXEF-FCHUYYIVSA-N 1 1 512.691 6.058 40 10 KKCBMO COc1cc2c(c(Oc3c([O-])c4c(cc3OC)CC[N@@H+](C)[C@H]4CC(C)C)c1O)[C@@H](CC(C)C)[NH+](C)CC2 ZINC000035955597 554107821 /nfs/dbraw/zinc/10/78/21/554107821.db2.gz IPLGVBFSYLBXEF-FCHUYYIVSA-N 1 1 512.691 6.058 40 10 KKCBMO COc1cc2c(c(Oc3c([O-])c4c(cc3OC)CC[N@H+](C)[C@H]4CC(C)C)c1O)[C@@H](CC(C)C)[NH+](C)CC2 ZINC000035955597 554107817 /nfs/dbraw/zinc/10/78/17/554107817.db2.gz IPLGVBFSYLBXEF-FCHUYYIVSA-N 1 1 512.691 6.058 40 10 KKCBMO [O-]c1c(C[NH+]2CCCC2)cc(Nc2cc(/C=C\c3ccc(Cl)cc3)nc(/C=C\c3ccc(Cl)cc3)n2)cc1C[NH+]1CCCC1 ZINC000104137739 571374573 /nfs/dbraw/zinc/37/45/73/571374573.db2.gz IOMIOEYFCKBHHT-VULZFCBJSA-N 1 1 626.632 8.765 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)cc1 ZINC000223100577 571431178 /nfs/dbraw/zinc/43/11/78/571431178.db2.gz LUHXYSDNVMKBDE-VMPREFPWSA-N 1 1 501.744 6.641 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)cc1 ZINC000223387980 571469744 /nfs/dbraw/zinc/46/97/44/571469744.db2.gz SXUROBZEZXPAMO-XZWHSSHBSA-N 1 1 509.723 6.508 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)cc1 ZINC000223500140 571487601 /nfs/dbraw/zinc/48/76/01/571487601.db2.gz WCKHFVMSBVOGTK-VMPREFPWSA-N 1 1 510.711 5.903 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cccc(C)c3)c2C)cc1 ZINC000224237892 571504037 /nfs/dbraw/zinc/50/40/37/571504037.db2.gz RIXCDTIQKCMKGN-IHLOFXLRSA-N 1 1 509.723 6.821 40 10 KKCBMO CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([NH+](CC)CC)cc3)c2C)cc1 ZINC000224338335 571525458 /nfs/dbraw/zinc/52/54/58/571525458.db2.gz OVMVWTWRSXSVNM-JSOSNVBQSA-N 1 1 523.750 7.075 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)cc1 ZINC000224370406 571531733 /nfs/dbraw/zinc/53/17/33/571531733.db2.gz ILNSABGQPKBIKI-ZWXJPIIXSA-N 1 1 537.777 7.636 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)cc1 ZINC000224370486 571531958 /nfs/dbraw/zinc/53/19/58/571531958.db2.gz ILNSABGQPKBIKI-ACHIHNKUSA-N 1 1 537.777 7.636 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)cc1 ZINC000223899262 571570763 /nfs/dbraw/zinc/57/07/63/571570763.db2.gz CGOHTPZQYXPRLP-IOWSJCHKSA-N 1 1 538.765 6.578 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)cc1 ZINC000223899203 571570867 /nfs/dbraw/zinc/57/08/67/571570867.db2.gz CGOHTPZQYXPRLP-JSOSNVBQSA-N 1 1 538.765 6.578 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)c2C)cc1 ZINC000223937009 571579045 /nfs/dbraw/zinc/57/90/45/571579045.db2.gz GTOJPIQXPKKINJ-JHOUSYSJSA-N 1 1 580.802 6.349 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)cc1 ZINC000224606111 571585074 /nfs/dbraw/zinc/58/50/74/571585074.db2.gz MWYSEPPMWLJDEX-VMPREFPWSA-N 1 1 511.695 6.218 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(C)=O)cc3)c2C)cc1 ZINC000223977551 571587500 /nfs/dbraw/zinc/58/75/00/571587500.db2.gz VEFIFJCABCWLMN-FIRIVFDPSA-N 1 1 552.748 6.471 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(C)c3)c2C)cc1 ZINC000224095038 571609217 /nfs/dbraw/zinc/60/92/17/571609217.db2.gz PJZOCLCQPJHELY-LQJZCPKCSA-N 1 1 594.829 7.415 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)cc1 ZINC000224776153 571615984 /nfs/dbraw/zinc/61/59/84/571615984.db2.gz PODOVWRAFPLHQK-PXLJZGITSA-N 1 1 648.858 8.572 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(Cl)c3)c2C)cc1 ZINC000225132940 571650373 /nfs/dbraw/zinc/65/03/73/571650373.db2.gz KQUUSWACTJNYEO-ROJLCIKYSA-N 1 1 615.247 7.760 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COC)cc3)c2C)cc1 ZINC000225217422 571658977 /nfs/dbraw/zinc/65/89/77/571658977.db2.gz AXGLTJBANHXVTG-AJQTZOPKSA-N 1 1 582.774 6.097 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COC)c(Cl)c3)c2C)cc1 ZINC000225245047 571662038 /nfs/dbraw/zinc/66/20/38/571662038.db2.gz UKMKITVWGPPEAI-AJQTZOPKSA-N 1 1 617.219 6.751 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3OC)c2C)cc1 ZINC000225668374 572010224 /nfs/dbraw/zinc/01/02/24/572010224.db2.gz JWNUXELSCLSRIP-CZNDPXEESA-N 1 1 596.801 6.345 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3OC)c2C)cc1 ZINC000225668467 572010284 /nfs/dbraw/zinc/01/02/84/572010284.db2.gz JWNUXELSCLSRIP-LQJZCPKCSA-N 1 1 596.801 6.345 40 10 KKCBMO CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc([NH+](CC)CC)cc4)c3C)C2=O)cc1 ZINC000409093910 1072249743 /nfs/dbraw/zinc/24/97/43/1072249743.db2.gz BOOLLHLORYLHFN-OVVQPSECSA-N 1 1 546.693 6.014 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)cc1 ZINC000223100394 571431074 /nfs/dbraw/zinc/43/10/74/571431074.db2.gz LUHXYSDNVMKBDE-FQLXRVMXSA-N 1 1 501.744 6.641 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)cc1 ZINC000224402351 571538327 /nfs/dbraw/zinc/53/83/27/571538327.db2.gz ILPYHTPTCQKIHZ-FQLXRVMXSA-N 1 1 513.686 6.652 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)cc3)c2C)cc1 ZINC000223763066 571539941 /nfs/dbraw/zinc/53/99/41/571539941.db2.gz ULHBZEPINZQVSJ-LOYHVIPDSA-N 1 1 525.722 6.521 40 10 KKCBMO CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([NH+](CC)CC)cc3)c2C)cc1 ZINC000223801586 571546640 /nfs/dbraw/zinc/54/66/40/571546640.db2.gz NCMSNUOKZSMPJA-JSOSNVBQSA-N 1 1 539.749 6.911 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cccc(OC)c3)c2C)cc1 ZINC000224534619 571568499 /nfs/dbraw/zinc/56/84/99/571568499.db2.gz CRVQNCLLEMXMJZ-IHLOFXLRSA-N 1 1 525.722 6.521 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)c2C)cc1 ZINC000223936956 571579059 /nfs/dbraw/zinc/57/90/59/571579059.db2.gz GTOJPIQXPKKINJ-SAIUNTKASA-N 1 1 580.802 6.349 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccc(OC)cc4)cc3)c2C)cc1 ZINC000224742330 571612925 /nfs/dbraw/zinc/61/29/25/571612925.db2.gz MNPOBURLXFFGFI-MPQUPPDSSA-N 1 1 617.819 8.313 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4CCC(C)CC4)c(Cl)c3)c2C)cc1 ZINC000224989541 571636841 /nfs/dbraw/zinc/63/68/41/571636841.db2.gz CIMZTTXDSFUCPH-VSJLXWSYSA-N 1 1 627.302 8.402 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)c2C)cc1 ZINC000225046552 571641810 /nfs/dbraw/zinc/64/18/10/571641810.db2.gz JBNWIOWOILMKNG-AJQTZOPKSA-N 1 1 552.792 6.810 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COC)c(C)c3)c2C)cc1 ZINC000225271185 571665008 /nfs/dbraw/zinc/66/50/08/571665008.db2.gz NFYRIIMWOKKHPV-SAIUNTKASA-N 1 1 596.801 6.406 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NC(C)=O)c3)c2C)cc1 ZINC000225320940 571676311 /nfs/dbraw/zinc/67/63/11/571676311.db2.gz SCQIFQAQUFGJDT-ACHIHNKUSA-N 1 1 582.774 6.479 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(OC)c3)c2C)cc1 ZINC000225428342 571795792 /nfs/dbraw/zinc/79/57/92/571795792.db2.gz PTVYNSPXEIHDPG-IOWSJCHKSA-N 1 1 618.829 5.893 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3)c2C)cc1 ZINC000225530204 571897205 /nfs/dbraw/zinc/89/72/05/571897205.db2.gz SCMSIGMQUPWAHE-ACHIHNKUSA-N 1 1 566.775 6.337 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(Cc4ccc(C(=O)OC)o4)C3=O)c2C)cc1 ZINC000409385466 1072693398 /nfs/dbraw/zinc/69/33/98/1072693398.db2.gz KQNKHUKOTFVERS-BUVRLJJBSA-N 1 1 507.612 5.556 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4Cl)C3=O)c2C)cc1 ZINC000409232460 1073061306 /nfs/dbraw/zinc/06/13/06/1073061306.db2.gz IBGYDGCHIRMIDO-PCLIKHOPSA-N 1 1 537.085 6.269 40 10 KKCBMO COc1cc2c(c(Oc3c([O-])c4c(cc3OC)CC[NH+](C)[C@@H]4CC(C)C)c1O)[C@@H](CC(C)C)[N@@H+](C)CC2 ZINC000024717567 553791332 /nfs/dbraw/zinc/79/13/32/553791332.db2.gz IPLGVBFSYLBXEF-FGZHOGPDSA-N 1 1 512.691 6.058 40 10 KKCBMO COc1cc2c(c(Oc3c([O-])c4c(cc3OC)CC[N@H+](C)[C@@H]4CC(C)C)c1O)[C@@H](CC(C)C)[NH+](C)CC2 ZINC000024717567 553791333 /nfs/dbraw/zinc/79/13/33/553791333.db2.gz IPLGVBFSYLBXEF-FGZHOGPDSA-N 1 1 512.691 6.058 40 10 KKCBMO COc1cc2c(c(Oc3c([O-])c4c(cc3OC)CC[N@@H+](C)[C@@H]4CC(C)C)c1O)[C@@H](CC(C)C)[NH+](C)CC2 ZINC000024717567 553791336 /nfs/dbraw/zinc/79/13/36/553791336.db2.gz IPLGVBFSYLBXEF-FGZHOGPDSA-N 1 1 512.691 6.058 40 10 KKCBMO CCc1cc(-c2n[nH]c(C)c2-c2nc3ccccc3s2)c(O)c(C[N@H+]2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c1O ZINC000034240623 553981231 /nfs/dbraw/zinc/98/12/31/553981231.db2.gz LANBFRSMVUEKLE-ADSBAMQRSA-N 1 1 516.711 7.036 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccccc4)C(=O)N(c4ccc(C)cc4)C3=O)c2C)cc1 ZINC000103855349 571366026 /nfs/dbraw/zinc/36/60/26/571366026.db2.gz ZYGZRJFBTFFFJW-DFKUXCBWSA-N 1 1 546.671 6.832 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)c2C)cc1 ZINC000223312006 571459166 /nfs/dbraw/zinc/45/91/66/571459166.db2.gz SEZHOYUJKJCKBY-VCTRFXNDSA-N 1 1 503.716 5.487 40 10 KKCBMO COc1ccc([C@H](c2cc3c(cc2O)OCO3)[NH+]2CCN([C@@H](c3ccc(OC)c(OC)c3)c3cc4c(cc3O)OCO4)CC2)cc1OC ZINC000150405390 571479291 /nfs/dbraw/zinc/47/92/91/571479291.db2.gz IDWOJIMHTRKKLT-TYHGNQNSSA-N 1 1 658.704 5.086 40 10 KKCBMO COc1ccc([C@H](c2cc3c(cc2O)OCO3)N2CC[NH+]([C@@H](c3ccc(OC)c(OC)c3)c3cc4c(cc3O)OCO4)CC2)cc1OC ZINC000150405390 571479293 /nfs/dbraw/zinc/47/92/93/571479293.db2.gz IDWOJIMHTRKKLT-TYHGNQNSSA-N 1 1 658.704 5.086 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4C[C@H](C)C[C@H](C)C4)c(Cl)c3)c2C)cc1 ZINC000224132677 571482957 /nfs/dbraw/zinc/48/29/57/571482957.db2.gz YBXRWHFILGLTIN-DXXCPFJCSA-N 1 1 641.329 8.648 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)cc1 ZINC000223539606 571497953 /nfs/dbraw/zinc/49/79/53/571497953.db2.gz HFFXAPMZLFBBNN-VMPREFPWSA-N 1 1 510.711 5.903 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)cc1 ZINC000224270634 571510640 /nfs/dbraw/zinc/51/06/40/571510640.db2.gz DNIBDQDXNIBNNN-JSOSNVBQSA-N 1 1 523.750 7.129 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)cc3)c2C)cc1 ZINC000223763121 571540012 /nfs/dbraw/zinc/54/00/12/571540012.db2.gz ULHBZEPINZQVSJ-IHLOFXLRSA-N 1 1 525.722 6.521 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)cc1 ZINC000224435492 571545296 /nfs/dbraw/zinc/54/52/96/571545296.db2.gz NDRBXWQWZUGREW-FQLXRVMXSA-N 1 1 513.686 6.652 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)cc1 ZINC000224466900 571552705 /nfs/dbraw/zinc/55/27/05/571552705.db2.gz JJXWZXSJKKDHBV-FQLXRVMXSA-N 1 1 530.141 7.166 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)cc1 ZINC000223860990 571563435 /nfs/dbraw/zinc/56/34/35/571563435.db2.gz NOXBIXKNWGTMAC-FQLXRVMXSA-N 1 1 511.695 6.218 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)cc1 ZINC000224606062 571585106 /nfs/dbraw/zinc/58/51/06/571585106.db2.gz MWYSEPPMWLJDEX-URLMMPGGSA-N 1 1 511.695 6.218 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OCCOC)c(Cl)c3)c2C)cc1 ZINC000224056344 571603282 /nfs/dbraw/zinc/60/32/82/571603282.db2.gz QOLTUCYZQHZMCS-AJQTZOPKSA-N 1 1 604.220 7.191 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(C)c3)c2C)cc1 ZINC000224094934 571609192 /nfs/dbraw/zinc/60/91/92/571609192.db2.gz PJZOCLCQPJHELY-SAIUNTKASA-N 1 1 594.829 7.415 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccc(OC)cc4)cc3)c2C)cc1 ZINC000224742289 571612899 /nfs/dbraw/zinc/61/28/99/571612899.db2.gz MNPOBURLXFFGFI-XDSPJLLDSA-N 1 1 617.819 8.313 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)c2C)cc1 ZINC000224872215 571625346 /nfs/dbraw/zinc/62/53/46/571625346.db2.gz ZRJAQLAWRCOZIH-VMPREFPWSA-N 1 1 546.140 6.871 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Br)c(C)c3)c2C)cc1 ZINC000224931490 571631215 /nfs/dbraw/zinc/63/12/15/571631215.db2.gz KQEOVKLVFKNOSQ-XZWHSSHBSA-N 1 1 588.619 7.583 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(Cl)c3)c2C)cc1 ZINC000224960939 571634095 /nfs/dbraw/zinc/63/40/95/571634095.db2.gz KWHZAGNYQVHBLM-KYJUHHDHSA-N 1 1 560.167 7.174 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)c2C)cc1 ZINC000225046587 571641837 /nfs/dbraw/zinc/64/18/37/571641837.db2.gz JBNWIOWOILMKNG-ACHIHNKUSA-N 1 1 552.792 6.810 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)cc3)c2C)cc1 ZINC000225397555 571767768 /nfs/dbraw/zinc/76/77/68/571767768.db2.gz XODCTZSMTAFCBX-XZWHSSHBSA-N 1 1 588.803 5.884 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3OC)c2C)cc1 ZINC000225668405 572010299 /nfs/dbraw/zinc/01/02/99/572010299.db2.gz JWNUXELSCLSRIP-SAIUNTKASA-N 1 1 596.801 6.345 40 10 KKCBMO CC[NH+](CC)c1ccc(NC2=NC(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4)c(OC)c3)S2)cc1 ZINC000008820875 553155614 /nfs/dbraw/zinc/15/56/14/553155614.db2.gz KEEVBWRZXMRNKH-ONUIUJJFSA-N 1 1 522.070 6.856 40 10 KKCBMO COc1ccc([C@H](c2cc3c(cc2O)OCO3)N2CC[NH+]([C@H](c3ccc(OC)cc3)c3cc4c(cc3O)OCO4)CC2)cc1 ZINC000022859546 553762216 /nfs/dbraw/zinc/76/22/16/553762216.db2.gz OJZZRJOIPSIXRU-KKLWWLSJSA-N 1 1 598.652 5.069 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)cc1 ZINC000223187429 571442532 /nfs/dbraw/zinc/44/25/32/571442532.db2.gz FUPSFVDUCHBEQM-LOYHVIPDSA-N 1 1 546.785 5.030 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)cc1 ZINC000223388036 571469791 /nfs/dbraw/zinc/46/97/91/571469791.db2.gz SXUROBZEZXPAMO-KYJUHHDHSA-N 1 1 509.723 6.508 40 10 KKCBMO COc1ccc([C@H](c2cc3c(cc2O)OCO3)N2CC[NH+]([C@H](c3ccc(OC)c(OC)c3)c3cc4c(cc3O)OCO4)CC2)cc1OC ZINC000150405395 571479285 /nfs/dbraw/zinc/47/92/85/571479285.db2.gz IDWOJIMHTRKKLT-LQFQNGICSA-N 1 1 658.704 5.086 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)cc1 ZINC000224270728 571510677 /nfs/dbraw/zinc/51/06/77/571510677.db2.gz DNIBDQDXNIBNNN-CONSDPRKSA-N 1 1 523.750 7.129 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)c2C)cc1 ZINC000224498631 571560856 /nfs/dbraw/zinc/56/08/56/571560856.db2.gz WMNKYUZASLRJRG-VMPREFPWSA-N 1 1 574.592 7.275 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cccc(OC)c3)c2C)cc1 ZINC000224534673 571568628 /nfs/dbraw/zinc/56/86/28/571568628.db2.gz CRVQNCLLEMXMJZ-XZWHSSHBSA-N 1 1 525.722 6.521 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)cc1 ZINC000224017090 571595974 /nfs/dbraw/zinc/59/59/74/571595974.db2.gz BNTWXLGFTDYDDE-IHLOFXLRSA-N 1 1 539.705 6.241 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4C)cc3)c2C)cc1 ZINC000224673587 571600361 /nfs/dbraw/zinc/60/03/61/571600361.db2.gz OVBXXYZEHGKDKK-ZPGRZCPFSA-N 1 1 601.820 8.613 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccc(C)cc4)cc3)c2C)cc1 ZINC000224707629 571607346 /nfs/dbraw/zinc/60/73/46/571607346.db2.gz ACXVVCRZNAHBIG-LQFQNGICSA-N 1 1 601.820 8.613 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)c2C)cc1 ZINC000224872136 571625339 /nfs/dbraw/zinc/62/53/39/571625339.db2.gz ZRJAQLAWRCOZIH-WDYNHAJCSA-N 1 1 546.140 6.871 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COc4ccccc4)cc3)c2C)cc1 ZINC000225075489 571644551 /nfs/dbraw/zinc/64/45/51/571644551.db2.gz QZQIHJWFYFVECQ-FZNHDDJXSA-N 1 1 644.845 7.530 40 10 KKCBMO CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([NH+](CC)CC)cc3)c2C)cc1OC ZINC000225189010 571656165 /nfs/dbraw/zinc/65/61/65/571656165.db2.gz GXYVXXAOLQZFDE-CZNDPXEESA-N 1 1 596.801 6.870 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COC)cc3)c2C)cc1 ZINC000225217387 571658949 /nfs/dbraw/zinc/65/89/49/571658949.db2.gz AXGLTJBANHXVTG-ZWXJPIIXSA-N 1 1 582.774 6.097 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NC(=O)COC)c3)c2C)cc1 ZINC000225298075 571668314 /nfs/dbraw/zinc/66/83/14/571668314.db2.gz SHUDQFLXSDBCLS-LQJZCPKCSA-N 1 1 612.800 6.106 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC(C)C)cc3)c2C)cc1 ZINC000225346334 571706362 /nfs/dbraw/zinc/70/63/62/571706362.db2.gz HVPQXZLHDVPVLY-ZWXJPIIXSA-N 1 1 553.776 7.300 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC4CCCC4)cc3)c2C)cc1 ZINC000225372145 571737555 /nfs/dbraw/zinc/73/75/55/571737555.db2.gz IQFWKVICFRMLHW-NOCHOARKSA-N 1 1 579.814 7.834 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)cc3)c2C)cc1 ZINC000225397481 571767086 /nfs/dbraw/zinc/76/70/86/571767086.db2.gz XODCTZSMTAFCBX-LOYHVIPDSA-N 1 1 588.803 5.884 40 10 KKCBMO CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc([NH+](CC)CC)cc2)c1C ZINC000225551249 571914091 /nfs/dbraw/zinc/91/40/91/571914091.db2.gz UUAMYGDUNXFVGD-HEVIKAOCSA-N 1 1 594.829 6.899 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(C)cc3)c2C)cc1 ZINC000225572593 571933485 /nfs/dbraw/zinc/93/34/85/571933485.db2.gz KGSWXZGRFQFZQQ-LQJZCPKCSA-N 1 1 580.802 6.645 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(C)cc3)c2C)cc1 ZINC000225572538 571933597 /nfs/dbraw/zinc/93/35/97/571933597.db2.gz KGSWXZGRFQFZQQ-SAIUNTKASA-N 1 1 580.802 6.645 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3F)c2C)cc1 ZINC000225613472 571965227 /nfs/dbraw/zinc/96/52/27/571965227.db2.gz JBDFKNIMVZSJSI-ZWXJPIIXSA-N 1 1 584.765 6.476 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3C)c2C)cc1 ZINC000225687370 572023454 /nfs/dbraw/zinc/02/34/54/572023454.db2.gz KERQDLAEHFPLSS-JHOUSYSJSA-N 1 1 580.802 6.645 40 10 KKCBMO Cc1cc(OC[C@]2(CC(=O)N(C)Cc3ccccc3)CCC[N@@H+](Cc3ccc(N4CCCC4)cc3)C2)ccc1Cl ZINC000257254699 572311427 /nfs/dbraw/zinc/31/14/27/572311427.db2.gz KEHIEWUHWXWFHI-UMSFTDKQSA-N 1 1 560.182 6.959 40 10 KKCBMO CCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc([NH+](CC)CC)cc3)c2C)C(=O)N(c2ccccc2)C1=S ZINC000409017752 1071734830 /nfs/dbraw/zinc/73/48/30/1071734830.db2.gz HASWECUEMQOUBI-NHFJDJAPSA-N 1 1 514.695 5.894 40 10 KKCBMO COc1cc2c(c([O-])c1Oc1c(OC(C)=O)c(OC)cc3c1[C@@H](CC(C)C)[N@@H+](C)CC3)[C@@H](CC(C)C)[NH+](C)CC2 ZINC000004273384 552455370 /nfs/dbraw/zinc/45/53/70/552455370.db2.gz CVJITLJMPNQSDF-DNQXCXABSA-N 1 1 554.728 6.277 40 10 KKCBMO COc1cc2c(c([O-])c1Oc1c(OC(C)=O)c(OC)cc3c1[C@@H](CC(C)C)[NH+](C)CC3)[C@@H](CC(C)C)[N@@H+](C)CC2 ZINC000004273384 552455371 /nfs/dbraw/zinc/45/53/71/552455371.db2.gz CVJITLJMPNQSDF-DNQXCXABSA-N 1 1 554.728 6.277 40 10 KKCBMO COc1cc2c(c([O-])c1Oc1c(OC(C)=O)c(OC)cc3c1[C@@H](CC(C)C)[NH+](C)CC3)[C@@H](CC(C)C)[N@H+](C)CC2 ZINC000004273384 552455374 /nfs/dbraw/zinc/45/53/74/552455374.db2.gz CVJITLJMPNQSDF-DNQXCXABSA-N 1 1 554.728 6.277 40 10 KKCBMO CC[NH+](CC)c1ccc(NC2=NC(=O)C(=Cc3ccc(OCc4ccccc4Cl)c(OC)c3)S2)cc1 ZINC000008820853 553155522 /nfs/dbraw/zinc/15/55/22/553155522.db2.gz CBCWDPHWOSQMAG-ONUIUJJFSA-N 1 1 522.070 6.856 40 10 KKCBMO CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2sc(C)c(C)c2C(=O)OC)cc1 ZINC000009158554 553215039 /nfs/dbraw/zinc/21/50/39/553215039.db2.gz BGJBHNMVORQADH-FSEMWLHASA-N 1 1 527.731 5.305 40 10 KKCBMO CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2sc(C)c(C)c2C(=O)OC)cc1 ZINC000009158554 553215042 /nfs/dbraw/zinc/21/50/42/553215042.db2.gz BGJBHNMVORQADH-FSEMWLHASA-N 1 1 527.731 5.305 40 10 KKCBMO Cc1ccc(Nc2cc(/C=C(\c3ccccc3)[NH+]3CCCCC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000015080145 553527631 /nfs/dbraw/zinc/52/76/31/553527631.db2.gz QIMKKNSNELXTPD-XHLNEMQHSA-N 1 1 511.625 8.075 40 10 KKCBMO [O-]c1c(C[NH+]2CCCC2)cc(Nc2cc(/C=C\c3ccc(Cl)cc3)nc(/C=C/c3ccc(Cl)cc3)n2)cc1C[NH+]1CCCC1 ZINC000104137746 571374705 /nfs/dbraw/zinc/37/47/05/571374705.db2.gz IOMIOEYFCKBHHT-CKOAPEAFSA-N 1 1 626.632 8.765 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)cc1 ZINC000223463918 571480742 /nfs/dbraw/zinc/48/07/42/571480742.db2.gz KDCPTZBQZVZDSH-WDYNHAJCSA-N 1 1 510.711 5.903 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)cc1 ZINC000223500021 571487590 /nfs/dbraw/zinc/48/75/90/571487590.db2.gz WCKHFVMSBVOGTK-WDYNHAJCSA-N 1 1 510.711 5.903 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)cc1 ZINC000224270584 571510647 /nfs/dbraw/zinc/51/06/47/571510647.db2.gz DNIBDQDXNIBNNN-FIRIVFDPSA-N 1 1 523.750 7.129 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)cc1 ZINC000224270672 571510659 /nfs/dbraw/zinc/51/06/59/571510659.db2.gz DNIBDQDXNIBNNN-IOWSJCHKSA-N 1 1 523.750 7.129 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)cc1 ZINC000224402407 571538365 /nfs/dbraw/zinc/53/83/65/571538365.db2.gz ILPYHTPTCQKIHZ-WDYNHAJCSA-N 1 1 513.686 6.652 40 10 KKCBMO CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([NH+](CC)CC)cc3)c2C)cc1 ZINC000223801692 571546634 /nfs/dbraw/zinc/54/66/34/571546634.db2.gz NCMSNUOKZSMPJA-FIRIVFDPSA-N 1 1 539.749 6.911 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)cc1 ZINC000223899142 571570881 /nfs/dbraw/zinc/57/08/81/571570881.db2.gz CGOHTPZQYXPRLP-FIRIVFDPSA-N 1 1 538.765 6.578 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccc(OC)cc4)cc3)c2C)cc1 ZINC000224742376 571612922 /nfs/dbraw/zinc/61/29/22/571612922.db2.gz MNPOBURLXFFGFI-ZPGRZCPFSA-N 1 1 617.819 8.313 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4CCC(C)CC4)c(Cl)c3)c2C)cc1 ZINC000224989613 571636886 /nfs/dbraw/zinc/63/68/86/571636886.db2.gz CIMZTTXDSFUCPH-OIDHKYIRSA-N 1 1 627.302 8.402 40 10 KKCBMO CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([NH+](CC)CC)cc3)c2C)cc1C ZINC000225160770 571653357 /nfs/dbraw/zinc/65/33/57/571653357.db2.gz VAAHVIIIPUVBTB-JHOUSYSJSA-N 1 1 580.802 7.169 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COC)c(C)c3)c2C)cc1 ZINC000225271141 571665042 /nfs/dbraw/zinc/66/50/42/571665042.db2.gz NFYRIIMWOKKHPV-CZNDPXEESA-N 1 1 596.801 6.406 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)cc3)c2C)cc1 ZINC000225397600 571767682 /nfs/dbraw/zinc/76/76/82/571767682.db2.gz XODCTZSMTAFCBX-KYJUHHDHSA-N 1 1 588.803 5.884 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(C)c3)c2C)cc1 ZINC000225456561 571828190 /nfs/dbraw/zinc/82/81/90/571828190.db2.gz BJKAXWGKQORDHK-CONSDPRKSA-N 1 1 602.830 6.192 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)c2C)cc1 ZINC000225506868 571877532 /nfs/dbraw/zinc/87/75/32/571877532.db2.gz GVVFBGHZUDTUEQ-JSOSNVBQSA-N 1 1 552.748 5.947 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(F)cc3)c2C)cc1 ZINC000225593256 571948741 /nfs/dbraw/zinc/94/87/41/571948741.db2.gz IGTLKEPOHADLKE-ACHIHNKUSA-N 1 1 584.765 6.476 40 10 KKCBMO [O-]c1c(C[NH+]2CCCC2)cc(Nc2cc(/C=C/c3ccc(Cl)cc3)nc(/C=C\c3ccc(Cl)cc3)n2)cc1C[NH+]1CCCC1 ZINC000104137743 571374532 /nfs/dbraw/zinc/37/45/32/571374532.db2.gz IOMIOEYFCKBHHT-TYVLLQCESA-N 1 1 626.632 8.765 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)cc1 ZINC000223187498 571442537 /nfs/dbraw/zinc/44/25/37/571442537.db2.gz FUPSFVDUCHBEQM-IHLOFXLRSA-N 1 1 546.785 5.030 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)cc1 ZINC000223500081 571487610 /nfs/dbraw/zinc/48/76/10/571487610.db2.gz WCKHFVMSBVOGTK-URLMMPGGSA-N 1 1 510.711 5.903 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)cc1 ZINC000223539430 571497758 /nfs/dbraw/zinc/49/77/58/571497758.db2.gz HFFXAPMZLFBBNN-FQLXRVMXSA-N 1 1 510.711 5.903 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)cc1 ZINC000223539484 571497816 /nfs/dbraw/zinc/49/78/16/571497816.db2.gz HFFXAPMZLFBBNN-WDYNHAJCSA-N 1 1 510.711 5.903 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cccc(C)c3)c2C)cc1 ZINC000224237922 571504102 /nfs/dbraw/zinc/50/41/02/571504102.db2.gz RIXCDTIQKCMKGN-XZWHSSHBSA-N 1 1 509.723 6.821 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(C)cc(C)c3)c2C)cc1 ZINC000224304282 571517908 /nfs/dbraw/zinc/51/79/08/571517908.db2.gz YDWRBZRWNQNWNG-IOWSJCHKSA-N 1 1 523.750 7.129 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(C)cc(C)c3)c2C)cc1 ZINC000224304334 571517952 /nfs/dbraw/zinc/51/79/52/571517952.db2.gz YDWRBZRWNQNWNG-CONSDPRKSA-N 1 1 523.750 7.129 40 10 KKCBMO CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([NH+](CC)CC)cc3)c2C)cc1 ZINC000224338415 571525429 /nfs/dbraw/zinc/52/54/29/571525429.db2.gz OVMVWTWRSXSVNM-FIRIVFDPSA-N 1 1 523.750 7.075 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3OC)c2C)cc1 ZINC000224569879 571576833 /nfs/dbraw/zinc/57/68/33/571576833.db2.gz DVECFTGUMQCYRM-IHLOFXLRSA-N 1 1 525.722 6.521 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)cc1 ZINC000224605968 571585123 /nfs/dbraw/zinc/58/51/23/571585123.db2.gz MWYSEPPMWLJDEX-FQLXRVMXSA-N 1 1 511.695 6.218 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4)cc3)c2C)cc1 ZINC000224639851 571592804 /nfs/dbraw/zinc/59/28/04/571592804.db2.gz KZVWHZLZKIIMBY-VSJLXWSYSA-N 1 1 587.793 8.305 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OCCOC)c(Cl)c3)c2C)cc1 ZINC000224056227 571603328 /nfs/dbraw/zinc/60/33/28/571603328.db2.gz QOLTUCYZQHZMCS-ROJLCIKYSA-N 1 1 604.220 7.191 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)cc3OC)c2C)cc1 ZINC000224809168 571619152 /nfs/dbraw/zinc/61/91/52/571619152.db2.gz ACTOIVVPDDAXGN-JSOSNVBQSA-N 1 1 555.748 6.530 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Br)c(C)c3)c2C)cc1 ZINC000224931451 571631202 /nfs/dbraw/zinc/63/12/02/571631202.db2.gz KQEOVKLVFKNOSQ-IHLOFXLRSA-N 1 1 588.619 7.583 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(Cl)c3)c2C)cc1 ZINC000224960904 571634108 /nfs/dbraw/zinc/63/41/08/571634108.db2.gz KWHZAGNYQVHBLM-XZWHSSHBSA-N 1 1 560.167 7.174 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COc4ccccc4)cc3)c2C)cc1 ZINC000225075529 571644595 /nfs/dbraw/zinc/64/45/95/571644595.db2.gz QZQIHJWFYFVECQ-AARKOHAPSA-N 1 1 644.845 7.530 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@H]3CCCO3)c2C)cc1 ZINC000260924222 571862321 /nfs/dbraw/zinc/86/23/21/571862321.db2.gz SEZHOYUJKJCKBY-RYRVMRHHSA-N 1 1 503.716 5.487 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)c2C)cc1 ZINC000225506904 571877648 /nfs/dbraw/zinc/87/76/48/571877648.db2.gz GVVFBGHZUDTUEQ-IOWSJCHKSA-N 1 1 552.748 5.947 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3)c2C)cc1 ZINC000225530144 571897294 /nfs/dbraw/zinc/89/72/94/571897294.db2.gz SCMSIGMQUPWAHE-ZWXJPIIXSA-N 1 1 566.775 6.337 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cc(C)ccc3C)c2C)cc1 ZINC000225631377 571983739 /nfs/dbraw/zinc/98/37/39/571983739.db2.gz VKQQNLNDSAWFLX-HEVIKAOCSA-N 1 1 594.829 6.953 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3C)c2C)cc1 ZINC000225687398 572023619 /nfs/dbraw/zinc/02/36/19/572023619.db2.gz KERQDLAEHFPLSS-LQJZCPKCSA-N 1 1 580.802 6.645 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)N4CCc5ccccc5C4)C3=O)c2C)cc1 ZINC000409383114 1072704199 /nfs/dbraw/zinc/70/41/99/1072704199.db2.gz UMDCZSYCUOPQCQ-VEILYXNESA-N 1 1 542.705 5.562 40 10 KKCBMO COc1cc2c(c(Oc3c([O-])c4c(cc3OC)CC[NH+](C)[C@H]4CC(C)C)c1OC(C)=O)[C@@H](CC(C)C)[N@@H+](C)CC2 ZINC000004273385 552455401 /nfs/dbraw/zinc/45/54/01/552455401.db2.gz CVJITLJMPNQSDF-BJKOFHAPSA-N 1 1 554.728 6.277 40 10 KKCBMO COc1cc2c(c(Oc3c([O-])c4c(cc3OC)CC[N@H+](C)[C@H]4CC(C)C)c1OC(C)=O)[C@@H](CC(C)C)[NH+](C)CC2 ZINC000004273385 552455402 /nfs/dbraw/zinc/45/54/02/552455402.db2.gz CVJITLJMPNQSDF-BJKOFHAPSA-N 1 1 554.728 6.277 40 10 KKCBMO COc1cc2c(c(Oc3c([O-])c4c(cc3OC)CC[N@@H+](C)[C@H]4CC(C)C)c1OC(C)=O)[C@@H](CC(C)C)[NH+](C)CC2 ZINC000004273385 552455403 /nfs/dbraw/zinc/45/54/03/552455403.db2.gz CVJITLJMPNQSDF-BJKOFHAPSA-N 1 1 554.728 6.277 40 10 KKCBMO CC[NH+](CC)Cc1cc(C)c(O)c(N=Nc2cc(OC)c(N=Nc3ccc([N+](=O)[O-])cc3)cc2OC)c1C ZINC000104199327 571376774 /nfs/dbraw/zinc/37/67/74/571376774.db2.gz HCMINFMFLJVSFS-BFWJDIMNSA-N 1 1 520.590 7.607 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccc(OC)cc3)c2C)cc1 ZINC000223424219 571474511 /nfs/dbraw/zinc/47/45/11/571474511.db2.gz VPLHUDQUKWYJEZ-FIRIVFDPSA-N 1 1 539.749 6.517 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCC(=O)OC)c2C)cc1 ZINC000223725635 571533323 /nfs/dbraw/zinc/53/33/23/571533323.db2.gz OZSBGBCCTXHUTA-VSGBNLITSA-N 1 1 519.715 5.261 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3OC)c2C)cc1 ZINC000224569931 571576776 /nfs/dbraw/zinc/57/67/76/571576776.db2.gz DVECFTGUMQCYRM-XZWHSSHBSA-N 1 1 525.722 6.521 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)cc3OC)c2C)cc1 ZINC000224809209 571619162 /nfs/dbraw/zinc/61/91/62/571619162.db2.gz ACTOIVVPDDAXGN-IOWSJCHKSA-N 1 1 555.748 6.530 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)c2C)cc1 ZINC000224872100 571625365 /nfs/dbraw/zinc/62/53/65/571625365.db2.gz ZRJAQLAWRCOZIH-FQLXRVMXSA-N 1 1 546.140 6.871 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)c2C)cc1 ZINC000225046507 571641824 /nfs/dbraw/zinc/64/18/24/571641824.db2.gz JBNWIOWOILMKNG-ZWXJPIIXSA-N 1 1 552.792 6.810 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)c2C)cc1 ZINC000225046470 571641857 /nfs/dbraw/zinc/64/18/57/571641857.db2.gz JBNWIOWOILMKNG-ROJLCIKYSA-N 1 1 552.792 6.810 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COc4ccccc4)cc3)c2C)cc1 ZINC000225075611 571644561 /nfs/dbraw/zinc/64/45/61/571644561.db2.gz QZQIHJWFYFVECQ-BCRBLDSWSA-N 1 1 644.845 7.530 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NC(C)=O)c3)c2C)cc1 ZINC000225320853 571676296 /nfs/dbraw/zinc/67/62/96/571676296.db2.gz SCQIFQAQUFGJDT-ROJLCIKYSA-N 1 1 582.774 6.479 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC4CCCC4)cc3)c2C)cc1 ZINC000225372178 571737787 /nfs/dbraw/zinc/73/77/87/571737787.db2.gz IQFWKVICFRMLHW-SZAHLOSFSA-N 1 1 579.814 7.834 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(C)c3)c2C)cc1 ZINC000225456490 571828161 /nfs/dbraw/zinc/82/81/61/571828161.db2.gz BJKAXWGKQORDHK-JSOSNVBQSA-N 1 1 602.830 6.192 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3C)c2C)cc1 ZINC000225687343 572023646 /nfs/dbraw/zinc/02/36/46/572023646.db2.gz KERQDLAEHFPLSS-SAIUNTKASA-N 1 1 580.802 6.645 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)c2C)cc1 ZINC000408917685 1071145257 /nfs/dbraw/zinc/14/52/57/1071145257.db2.gz ZWQZWPYHCPMSBB-PCLIKHOPSA-N 1 1 504.612 6.085 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)N4CCN(c5ccccc5)CC4)C3=O)c2C)cc1 ZINC000409010902 1071689571 /nfs/dbraw/zinc/68/95/71/1071689571.db2.gz DONHAKVDQQFFSM-XHLNEMQHSA-N 1 1 571.747 5.325 40 10 KKCBMO C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3ccc([NH+](CC)CC)cc3)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185872 1072767546 /nfs/dbraw/zinc/76/75/46/1072767546.db2.gz RTWJNXIRANXKLI-SFCIACJFSA-N 1 1 711.932 8.334 40 10 KKCBMO CC[NH+](CC)Cc1cc(C)c(O)c(N=Nc2cc(OC)c(N=Nc3ccc([N+](=O)[O-])cc3)cc2OC)c1C ZINC000017106782 553587961 /nfs/dbraw/zinc/58/79/61/553587961.db2.gz HCMINFMFLJVSFS-XKYJUMAPSA-N 1 1 520.590 7.607 40 10 KKCBMO CN(C)c1ccc([C@@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000020192096 553605851 /nfs/dbraw/zinc/60/58/51/553605851.db2.gz VGWCVOKFLCZQPG-HKBQPEDESA-N 1 1 513.770 6.960 40 10 KKCBMO [O-]c1c(C[NH+]2CCCC2)cc(Nc2cc(/C=C/c3ccc(Cl)cc3)nc(/C=C/c3ccc(Cl)cc3)n2)cc1C[NH+]1CCCC1 ZINC000104137750 571374652 /nfs/dbraw/zinc/37/46/52/571374652.db2.gz IOMIOEYFCKBHHT-KAVGSWPWSA-N 1 1 626.632 8.765 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)cc1 ZINC000223187616 571442586 /nfs/dbraw/zinc/44/25/86/571442586.db2.gz FUPSFVDUCHBEQM-KYJUHHDHSA-N 1 1 546.785 5.030 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)c2C)cc1 ZINC000223312041 571459173 /nfs/dbraw/zinc/45/91/73/571459173.db2.gz SEZHOYUJKJCKBY-SAAIGDAKSA-N 1 1 503.716 5.487 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4C[C@H](C)C[C@H](C)C4)c(Cl)c3)c2C)cc1 ZINC000224132762 571483035 /nfs/dbraw/zinc/48/30/35/571483035.db2.gz YBXRWHFILGLTIN-PXOVULQYSA-N 1 1 641.329 8.648 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCC(=O)OC)c2C)cc1 ZINC000223725718 571533308 /nfs/dbraw/zinc/53/33/08/571533308.db2.gz OZSBGBCCTXHUTA-WUFINQPMSA-N 1 1 519.715 5.261 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)cc1 ZINC000223861113 571563543 /nfs/dbraw/zinc/56/35/43/571563543.db2.gz NOXBIXKNWGTMAC-URLMMPGGSA-N 1 1 511.695 6.218 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3OC)c2C)cc1 ZINC000224569974 571576868 /nfs/dbraw/zinc/57/68/68/571576868.db2.gz DVECFTGUMQCYRM-KYJUHHDHSA-N 1 1 525.722 6.521 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)c2C)cc1 ZINC000223936893 571579026 /nfs/dbraw/zinc/57/90/26/571579026.db2.gz GTOJPIQXPKKINJ-CZNDPXEESA-N 1 1 580.802 6.349 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(OC)ccc3OC)c2C)cc1 ZINC000224841871 571622374 /nfs/dbraw/zinc/62/23/74/571622374.db2.gz VPDFUQCYQMPWQV-IOWSJCHKSA-N 1 1 555.748 6.530 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)cc1 ZINC000224901608 571628280 /nfs/dbraw/zinc/62/82/80/571628280.db2.gz NHNXOWFAQCYHEJ-IHLOFXLRSA-N 1 1 527.713 6.960 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(Cl)c3)c2C)cc1 ZINC000224960828 571634106 /nfs/dbraw/zinc/63/41/06/571634106.db2.gz KWHZAGNYQVHBLM-LOYHVIPDSA-N 1 1 560.167 7.174 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4CCC(C)CC4)c(Cl)c3)c2C)cc1 ZINC000224989653 571636868 /nfs/dbraw/zinc/63/68/68/571636868.db2.gz CIMZTTXDSFUCPH-PXLJZGITSA-N 1 1 627.302 8.402 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)(C)C)c(OC)c3)c2C)cc1 ZINC000225104395 571647624 /nfs/dbraw/zinc/64/76/24/571647624.db2.gz YXEWHFMPPYBHCB-CZNDPXEESA-N 1 1 624.855 7.506 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)(C)C)c(OC)c3)c2C)cc1 ZINC000225104469 571647679 /nfs/dbraw/zinc/64/76/79/571647679.db2.gz YXEWHFMPPYBHCB-JHOUSYSJSA-N 1 1 624.855 7.506 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC4CCCC4)cc3)c2C)cc1 ZINC000225372113 571737406 /nfs/dbraw/zinc/73/74/06/571737406.db2.gz IQFWKVICFRMLHW-KKLWWLSJSA-N 1 1 579.814 7.834 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(C)c3)c2C)cc1 ZINC000225456528 571828093 /nfs/dbraw/zinc/82/80/93/571828093.db2.gz BJKAXWGKQORDHK-IOWSJCHKSA-N 1 1 602.830 6.192 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(F)cc3)c2C)cc1 ZINC000225593163 571948756 /nfs/dbraw/zinc/94/87/56/571948756.db2.gz IGTLKEPOHADLKE-ROJLCIKYSA-N 1 1 584.765 6.476 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(F)cc3)c2C)cc1 ZINC000225593227 571948881 /nfs/dbraw/zinc/94/88/81/571948881.db2.gz IGTLKEPOHADLKE-AJQTZOPKSA-N 1 1 584.765 6.476 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3cccc(C)c3)c2C)cc1 ZINC000225649061 571997747 /nfs/dbraw/zinc/99/77/47/571997747.db2.gz UOYFRZUUWDZKPN-LQJZCPKCSA-N 1 1 580.802 6.645 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4F)C3=O)c2C)cc1 ZINC000408933016 1071247565 /nfs/dbraw/zinc/24/75/65/1071247565.db2.gz GRBUEDNTIKPYJL-XYGWBWBKSA-N 1 1 520.630 5.754 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccc(OC)cc3)c2C)cc1 ZINC000223424378 571474619 /nfs/dbraw/zinc/47/46/19/571474619.db2.gz VPLHUDQUKWYJEZ-CONSDPRKSA-N 1 1 539.749 6.517 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)cc1 ZINC000223463842 571480704 /nfs/dbraw/zinc/48/07/04/571480704.db2.gz KDCPTZBQZVZDSH-FQLXRVMXSA-N 1 1 510.711 5.903 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(C)cc(C)c3)c2C)cc1 ZINC000224304190 571517695 /nfs/dbraw/zinc/51/76/95/571517695.db2.gz YDWRBZRWNQNWNG-FIRIVFDPSA-N 1 1 523.750 7.129 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCC(=O)OC)c2C)cc1 ZINC000223725763 571533369 /nfs/dbraw/zinc/53/33/69/571533369.db2.gz OZSBGBCCTXHUTA-NSOVKSMOSA-N 1 1 519.715 5.261 40 10 KKCBMO CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([NH+](CC)CC)cc3)c2C)cc1 ZINC000223801535 571546643 /nfs/dbraw/zinc/54/66/43/571546643.db2.gz NCMSNUOKZSMPJA-CONSDPRKSA-N 1 1 539.749 6.911 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)c2C)cc1 ZINC000223937072 571578999 /nfs/dbraw/zinc/57/89/99/571578999.db2.gz GTOJPIQXPKKINJ-LQJZCPKCSA-N 1 1 580.802 6.349 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(C)=O)cc3)c2C)cc1 ZINC000223977710 571587461 /nfs/dbraw/zinc/58/74/61/571587461.db2.gz VEFIFJCABCWLMN-CONSDPRKSA-N 1 1 552.748 6.471 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4)cc3)c2C)cc1 ZINC000224639996 571592851 /nfs/dbraw/zinc/59/28/51/571592851.db2.gz KZVWHZLZKIIMBY-PXLJZGITSA-N 1 1 587.793 8.305 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4C)cc3)c2C)cc1 ZINC000224673494 571600389 /nfs/dbraw/zinc/60/03/89/571600389.db2.gz OVBXXYZEHGKDKK-XDSPJLLDSA-N 1 1 601.820 8.613 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OCCOC)c(Cl)c3)c2C)cc1 ZINC000224056398 571603302 /nfs/dbraw/zinc/60/33/02/571603302.db2.gz QOLTUCYZQHZMCS-ACHIHNKUSA-N 1 1 604.220 7.191 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(C)c3)c2C)cc1 ZINC000224094986 571609166 /nfs/dbraw/zinc/60/91/66/571609166.db2.gz PJZOCLCQPJHELY-JHOUSYSJSA-N 1 1 594.829 7.415 40 10 KKCBMO CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([NH+](CC)CC)cc3)c2C)cc1C ZINC000225160726 571653354 /nfs/dbraw/zinc/65/33/54/571653354.db2.gz VAAHVIIIPUVBTB-SAIUNTKASA-N 1 1 580.802 7.169 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COC)cc3)c2C)cc1 ZINC000225217461 571658969 /nfs/dbraw/zinc/65/89/69/571658969.db2.gz AXGLTJBANHXVTG-ACHIHNKUSA-N 1 1 582.774 6.097 40 10 KKCBMO CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc([NH+](CC)CC)cc2)c1C ZINC000225551279 571914107 /nfs/dbraw/zinc/91/41/07/571914107.db2.gz UUAMYGDUNXFVGD-NOCHOARKSA-N 1 1 594.829 6.899 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccc(C)cc3)c2C)cc1 ZINC000225572502 571933615 /nfs/dbraw/zinc/93/36/15/571933615.db2.gz KGSWXZGRFQFZQQ-CZNDPXEESA-N 1 1 580.802 6.645 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)Nc3ccccc3F)c2C)cc1 ZINC000225613509 571965102 /nfs/dbraw/zinc/96/51/02/571965102.db2.gz JBDFKNIMVZSJSI-AJQTZOPKSA-N 1 1 584.765 6.476 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccc(Br)cc4)C3=O)c2C)cc1 ZINC000408929468 1070256242 /nfs/dbraw/zinc/25/62/42/1070256242.db2.gz JWEXUGHMBJVJAA-PCLIKHOPSA-N 1 1 521.459 5.796 40 10 KKCBMO CC(=O)NC1CCN(C(=O)C[C@]2(COc3cc(C)c(Cl)c(C)c3)C[N@H+](Cc3cc(C(C)(C)C)ccc3O)CCO2)CC1 ZINC000585286728 1071040399 /nfs/dbraw/zinc/04/03/99/1071040399.db2.gz UKCDRVWHWQKFAE-MGBGTMOVSA-N 1 1 600.200 5.127 40 10 KKCBMO CC(=O)NC1CCN(C(=O)C[C@]2(COc3cc(C)c(Cl)c(C)c3)C[N@@H+](Cc3cc(C(C)(C)C)ccc3O)CCO2)CC1 ZINC000585286728 1071040405 /nfs/dbraw/zinc/04/04/05/1071040405.db2.gz UKCDRVWHWQKFAE-MGBGTMOVSA-N 1 1 600.200 5.127 40 10 KKCBMO CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2sc(C)c(C)c2C(=O)OC)cc1 ZINC000009158556 553215138 /nfs/dbraw/zinc/21/51/38/553215138.db2.gz BGJBHNMVORQADH-IXLXJOPFSA-N 1 1 527.731 5.305 40 10 KKCBMO CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2sc(C)c(C)c2C(=O)OC)cc1 ZINC000009158556 553215140 /nfs/dbraw/zinc/21/51/40/553215140.db2.gz BGJBHNMVORQADH-IXLXJOPFSA-N 1 1 527.731 5.305 40 10 KKCBMO CN(C)c1ccc([C@H](c2cc3c(cc2O)OCO3)N2CC[NH+]([C@@H](c3ccc(N(C)C)cc3)c3cc4c(cc3O)OCO4)CC2)cc1 ZINC000022858895 553761802 /nfs/dbraw/zinc/76/18/02/553761802.db2.gz JSZKYZMDMWPTKW-TYHGNQNSSA-N 1 1 624.738 5.184 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)cc1 ZINC000223100528 571431227 /nfs/dbraw/zinc/43/12/27/571431227.db2.gz LUHXYSDNVMKBDE-URLMMPGGSA-N 1 1 501.744 6.641 40 10 KKCBMO CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([NH+](CC)CC)cc3)c2C)cc1 ZINC000224338287 571525242 /nfs/dbraw/zinc/52/52/42/571525242.db2.gz OVMVWTWRSXSVNM-CONSDPRKSA-N 1 1 523.750 7.075 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)cc1 ZINC000224467020 571552748 /nfs/dbraw/zinc/55/27/48/571552748.db2.gz JJXWZXSJKKDHBV-VMPREFPWSA-N 1 1 530.141 7.166 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)c2C)cc1 ZINC000224498490 571560882 /nfs/dbraw/zinc/56/08/82/571560882.db2.gz WMNKYUZASLRJRG-FQLXRVMXSA-N 1 1 574.592 7.275 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccc(C)cc4)cc3)c2C)cc1 ZINC000224707671 571607282 /nfs/dbraw/zinc/60/72/82/571607282.db2.gz ACXVVCRZNAHBIG-XDSPJLLDSA-N 1 1 601.820 8.613 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)C(C)C)c(Cl)c3)c2C)cc1 ZINC000225132980 571650388 /nfs/dbraw/zinc/65/03/88/571650388.db2.gz KQUUSWACTJNYEO-ZWXJPIIXSA-N 1 1 615.247 7.760 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NC(=O)COC)c(Cl)c3)c2C)cc1 ZINC000225245084 571662023 /nfs/dbraw/zinc/66/20/23/571662023.db2.gz UKMKITVWGPPEAI-ACHIHNKUSA-N 1 1 617.219 6.751 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NC(=O)COC)c3)c2C)cc1 ZINC000225297979 571668283 /nfs/dbraw/zinc/66/82/83/571668283.db2.gz SHUDQFLXSDBCLS-CZNDPXEESA-N 1 1 612.800 6.106 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NC(=O)COC)c3)c2C)cc1 ZINC000225298011 571668303 /nfs/dbraw/zinc/66/83/03/571668303.db2.gz SHUDQFLXSDBCLS-SAIUNTKASA-N 1 1 612.800 6.106 40 10 KKCBMO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(OC)c3)c2C)cc1 ZINC000225428319 571795200 /nfs/dbraw/zinc/79/52/00/571795200.db2.gz PTVYNSPXEIHDPG-JSOSNVBQSA-N 1 1 618.829 5.893 40 10 KKCBMO COc1cc2c(c(Oc3c([O-])c4c(cc3OC)CC[NH+](C)[C@@H]4CC(C)C)c1OC(C)=O)[C@H](CC(C)C)[N@@H+](C)CC2 ZINC000226326194 572135868 /nfs/dbraw/zinc/13/58/68/572135868.db2.gz CVJITLJMPNQSDF-RPWUZVMVSA-N 1 1 554.728 6.277 40 10 KKCBMO COc1cc2c(c(Oc3c([O-])c4c(cc3OC)CC[N@H+](C)[C@@H]4CC(C)C)c1OC(C)=O)[C@H](CC(C)C)[NH+](C)CC2 ZINC000226326194 572135871 /nfs/dbraw/zinc/13/58/71/572135871.db2.gz CVJITLJMPNQSDF-RPWUZVMVSA-N 1 1 554.728 6.277 40 10 KKCBMO COc1cc2c(c(Oc3c([O-])c4c(cc3OC)CC[N@@H+](C)[C@@H]4CC(C)C)c1OC(C)=O)[C@H](CC(C)C)[NH+](C)CC2 ZINC000226326194 572135874 /nfs/dbraw/zinc/13/58/74/572135874.db2.gz CVJITLJMPNQSDF-RPWUZVMVSA-N 1 1 554.728 6.277 40 10 KKCBMO