smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000409022023 1070399046 /nfs/dbraw/zinc/39/90/46/1070399046.db2.gz HXLSPAZYQXSRRJ-YUEMOGKHSA-N 1 2 662.812 5.426 40 10 KKCBLO CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C/c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)sc2=N1 ZINC000409024865 1070408191 /nfs/dbraw/zinc/40/81/91/1070408191.db2.gz YMCKTQSHQUMWPR-DDIUQFJASA-N 1 2 677.665 5.823 40 10 KKCBLO CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(O)c(C[NH2+]Cc5ccccc5)c(c(O)c4c(O)c3C)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C)C2=O ZINC000263597890 1071323614 /nfs/dbraw/zinc/32/36/14/1071323614.db2.gz HHBUXHGNFGUEFR-KUTXFACISA-N 1 2 816.945 6.044 40 10 KKCBLO CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000409016205 1071668878 /nfs/dbraw/zinc/66/88/78/1071668878.db2.gz DWPNDQOHNLAYKN-OTHIGLTOSA-N 1 2 667.231 6.071 40 10 KKCBLO CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000409022090 1071720518 /nfs/dbraw/zinc/72/05/18/1071720518.db2.gz DVSDDNUBRUGDNV-SRTOOPEESA-N 1 2 646.813 5.808 40 10 KKCBLO CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@H]1c1ccccc1 ZINC000409022699 1071717142 /nfs/dbraw/zinc/71/71/42/1071717142.db2.gz PSMZBYSPEDKRJA-XTGQZIRNSA-N 1 2 602.760 5.409 40 10 KKCBLO COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc([NH+](C)C)cc5)c4C)c(=O)n32)c1 ZINC000409022687 1071718532 /nfs/dbraw/zinc/71/85/32/1071718532.db2.gz PHTZMFVCRIJOIR-VMCUCKNMSA-N 1 2 617.775 5.356 40 10 KKCBLO Oc1cc2c(cc1[C@H](c1ccc(Cl)cc1)N1CC[NH+]([C@@H](c3ccc(Cl)cc3)c3cc4c(cc3O)OCO4)CC1)OCO2 ZINC000022859570 553762260 /nfs/dbraw/zinc/76/22/60/553762260.db2.gz ZUMGLGKJKXIOPJ-ACHIHNKUSA-N 1 2 607.490 6.359 40 10 KKCBLO CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)[C@H]([NH2+][C@@H](C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000097999468 554043139 /nfs/dbraw/zinc/04/31/39/554043139.db2.gz GYWXPURVSNZRDM-QTELLAOKSA-N 1 2 610.864 10.250 40 10 KKCBLO CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)[C@H]([NH2+][C@@H](C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000097999468 554043143 /nfs/dbraw/zinc/04/31/43/554043143.db2.gz GYWXPURVSNZRDM-QTELLAOKSA-N 1 2 610.864 10.250 40 10 KKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000223187949 571442608 /nfs/dbraw/zinc/44/26/08/571442608.db2.gz JZDWDRBFLMXIRK-CLJLJLNGSA-N 1 2 544.552 5.491 40 10 KKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1c(C)cc(C)cc1C ZINC000223189521 571442903 /nfs/dbraw/zinc/44/29/03/571442903.db2.gz LTQQOLCFKSCKIS-PXJZQJOASA-N 1 2 517.743 5.109 40 10 KKCBLO COc1cc([C@H](c2cc3c(cc2O)OCO3)N2CC[NH+]([C@@H](c3cc(OC)c(OC)c(OC)c3)c3cc4c(cc3O)OCO4)CC2)cc(OC)c1OC ZINC000150404974 571479152 /nfs/dbraw/zinc/47/91/52/571479152.db2.gz WAXKDOZZYGIANY-TYHGNQNSSA-N 1 2 718.756 5.103 40 10 KKCBLO COc1cc([C@H](c2cc3c(cc2O)OCO3)[NH+]2CCN([C@@H](c3cc(OC)c(OC)c(OC)c3)c3cc4c(cc3O)OCO4)CC2)cc(OC)c1OC ZINC000150404974 571479154 /nfs/dbraw/zinc/47/91/54/571479154.db2.gz WAXKDOZZYGIANY-TYHGNQNSSA-N 1 2 718.756 5.103 40 10 KKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224132565 571483012 /nfs/dbraw/zinc/48/30/12/571483012.db2.gz KHEHUXLAUQWOJY-BDQLSBHJSA-N 1 2 613.275 7.868 40 10 KKCBLO O=C(CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)NCC[NH+]1CCN(C(=O)CCCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)CC1 ZINC000150447611 571501450 /nfs/dbraw/zinc/50/14/50/571501450.db2.gz WJROASQPOYXRNB-LNUBEBADSA-N 1 2 746.018 5.332 40 10 KKCBLO COc1ccc(/C=C2/SC(=S)N(CCC(=O)NCC[NH+]3CCN(C(=O)CCCCCN4C(=O)/C(=C/c5ccc(OC)cc5)SC4=S)CC3)C2=O)cc1 ZINC000150455124 571504339 /nfs/dbraw/zinc/50/43/39/571504339.db2.gz QLMOPMNVUMHPFT-LQAAPGBJSA-N 1 2 782.048 5.017 40 10 KKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000223898910 571570652 /nfs/dbraw/zinc/57/06/52/571570652.db2.gz POBYLUQAYVIJRA-FQLXRVMXSA-N 1 2 510.711 5.798 40 10 KKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000223898959 571570658 /nfs/dbraw/zinc/57/06/58/571570658.db2.gz POBYLUQAYVIJRA-WDYNHAJCSA-N 1 2 510.711 5.798 40 10 KKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224016916 571595901 /nfs/dbraw/zinc/59/59/01/571595901.db2.gz KLSRDIJKCHZTSJ-WUFINQPMSA-N 1 2 511.651 5.461 40 10 KKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224673286 571600427 /nfs/dbraw/zinc/60/04/27/571600427.db2.gz TVXOOBNVHUCGCP-NOCHOARKSA-N 1 2 573.766 7.833 40 10 KKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224871910 571625327 /nfs/dbraw/zinc/62/53/27/571625327.db2.gz YUBPWRKAUGHNHH-KAYWLYCHSA-N 1 2 518.086 6.091 40 10 KKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224872044 571625359 /nfs/dbraw/zinc/62/53/59/571625359.db2.gz YUBPWRKAUGHNHH-SVBPBHIXSA-N 1 2 518.086 6.091 40 10 KKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224989459 571636874 /nfs/dbraw/zinc/63/68/74/571636874.db2.gz HXFXKZXPTRSTKS-JHOUSYSJSA-N 1 2 599.248 7.622 40 10 KKCBLO COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225104226 571647595 /nfs/dbraw/zinc/64/75/95/571647595.db2.gz RJYROHMPFXIZQC-CONSDPRKSA-N 1 2 596.801 6.725 40 10 KKCBLO COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225104300 571647619 /nfs/dbraw/zinc/64/76/19/571647619.db2.gz RJYROHMPFXIZQC-IOWSJCHKSA-N 1 2 596.801 6.725 40 10 KKCBLO COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225104339 571647630 /nfs/dbraw/zinc/64/76/30/571647630.db2.gz RJYROHMPFXIZQC-FIRIVFDPSA-N 1 2 596.801 6.725 40 10 KKCBLO COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1 ZINC000225217198 571658920 /nfs/dbraw/zinc/65/89/20/571658920.db2.gz VFXYPGZFLZPNGL-IHLOFXLRSA-N 1 2 554.720 5.317 40 10 KKCBLO COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1C ZINC000225271050 571665027 /nfs/dbraw/zinc/66/50/27/571665027.db2.gz ASQVWHCFFJVKSG-IOWSJCHKSA-N 1 2 568.747 5.626 40 10 KKCBLO COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1NC(C)=O ZINC000225320712 571675843 /nfs/dbraw/zinc/67/58/43/571675843.db2.gz GMEJYHYWSMOULB-KYJUHHDHSA-N 1 2 554.720 5.699 40 10 KKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225372065 571737530 /nfs/dbraw/zinc/73/75/30/571737530.db2.gz HOVZVNPGIPVKTA-ACHIHNKUSA-N 1 2 551.760 7.054 40 10 KKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225397316 571767136 /nfs/dbraw/zinc/76/71/36/571767136.db2.gz IFAVRXOQIQAIKY-IZLXSDGUSA-N 1 2 560.749 5.104 40 10 KKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000260917973 571851458 /nfs/dbraw/zinc/85/14/58/571851458.db2.gz KHEHUXLAUQWOJY-XTOBZSLNSA-N 1 2 613.275 7.868 40 10 KKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225506785 571877466 /nfs/dbraw/zinc/87/74/66/571877466.db2.gz GKYFMHLARCEJEO-VMPREFPWSA-N 1 2 524.694 5.166 40 10 KKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225506674 571877513 /nfs/dbraw/zinc/87/75/13/571877513.db2.gz GKYFMHLARCEJEO-FQLXRVMXSA-N 1 2 524.694 5.166 40 10 KKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225648907 571997739 /nfs/dbraw/zinc/99/77/39/571997739.db2.gz JZXKHEQMWJIMTO-JSOSNVBQSA-N 1 2 552.748 5.865 40 10 KKCBLO COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc([NH+](C)C)cc2)c1C ZINC000225668301 572010290 /nfs/dbraw/zinc/01/02/90/572010290.db2.gz XPJPUSREMVNERQ-IOWSJCHKSA-N 1 2 568.747 5.565 40 10 KKCBLO CC[NH+](CC)Cc1c(O)c2c3c4c(C)c(O)c2c(O)c1NC(=O)C(C)=CC=C[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)C=CO[C@@](C)(O4)C3=O ZINC000263605114 572129356 /nfs/dbraw/zinc/12/93/56/572129356.db2.gz PHNHLMKMZYDVBQ-FYZBSEBMSA-N 1 2 782.928 5.596 40 10 KKCBLO CC[NH+](CC)Cc1c(O)c2c3c4c(C)c(O)c2c(O)c1NC(=O)C(C)=CC=C[C@@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)C=CO[C@@](C)(O4)C3=O ZINC000263605116 572129361 /nfs/dbraw/zinc/12/93/61/572129361.db2.gz PHNHLMKMZYDVBQ-ZMHRYQATSA-N 1 2 782.928 5.596 40 10 KKCBLO Cc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000408741563 1071625052 /nfs/dbraw/zinc/62/50/52/1071625052.db2.gz QQAHJGNEPOCAKO-UHFFFAOYSA-N 1 2 520.658 5.908 40 10 KKCBLO CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C/c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)sc2=N1 ZINC000409024866 1071710872 /nfs/dbraw/zinc/71/08/72/1071710872.db2.gz YMCKTQSHQUMWPR-IMUCPKNRSA-N 1 2 677.665 5.823 40 10 KKCBLO Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000409022393 1071719788 /nfs/dbraw/zinc/71/97/88/1071719788.db2.gz MVQDJSZRHBKNSA-NULZLWRNSA-N 1 2 589.161 5.314 40 10 KKCBLO CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000409022021 1071720581 /nfs/dbraw/zinc/72/05/81/1071720581.db2.gz HXLSPAZYQXSRRJ-BUELQQIUSA-N 1 2 662.812 5.426 40 10 KKCBLO CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000409021485 1071723127 /nfs/dbraw/zinc/72/31/27/1071723127.db2.gz JWTOEFWIIHKPHE-XSTKMXAKSA-N 1 2 679.637 5.052 40 10 KKCBLO CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000409021484 1071723207 /nfs/dbraw/zinc/72/32/07/1071723207.db2.gz JWTOEFWIIHKPHE-GWRYVSOYSA-N 1 2 679.637 5.052 40 10 KKCBLO COc1ccc(Cl)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n21 ZINC000409018791 1071731302 /nfs/dbraw/zinc/73/13/02/1071731302.db2.gz UWVUWZIRJNYELG-TZUCAZQYSA-N 1 2 619.187 5.322 40 10 KKCBLO CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409033095 1071773186 /nfs/dbraw/zinc/77/31/86/1071773186.db2.gz KZORTIJSVPDKKB-HZHHUVPKSA-N 1 2 628.795 5.068 40 10 KKCBLO CC[NH+](CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(C)C)cc4)C3=O)c2C)cc1 ZINC000409236541 1073038917 /nfs/dbraw/zinc/03/89/17/1073038917.db2.gz RVYWCPJYDIGZKS-OVVQPSECSA-N 1 2 514.695 5.895 40 10 KKCBLO CC[NH+](CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4Cl)C3=O)c2C)cc1 ZINC000409244070 1073089945 /nfs/dbraw/zinc/08/99/45/1073089945.db2.gz XAANCDVSDQCSQG-CJLVFECKSA-N 1 2 507.059 5.425 40 10 KKCBLO Oc1cc2c(cc1[C@@H](c1ccc(F)cc1)N1CC[NH+]([C@@H](c3ccc(F)cc3)c3cc4c(cc3O)OCO4)CC1)OCO2 ZINC000019364873 553613770 /nfs/dbraw/zinc/61/37/70/553613770.db2.gz KPVZZCLJGKSYAA-MEKGRNQZSA-N 1 2 574.580 5.330 40 10 KKCBLO Oc1cc2c(cc1[C@@H](c1ccc(F)cc1)[NH+]1CCN([C@@H](c3ccc(F)cc3)c3cc4c(cc3O)OCO4)CC1)OCO2 ZINC000019364873 553613774 /nfs/dbraw/zinc/61/37/74/553613774.db2.gz KPVZZCLJGKSYAA-MEKGRNQZSA-N 1 2 574.580 5.330 40 10 KKCBLO CCCC[NH+](CCCC)c1ccc([C@H]2Nc3ccccc3-c3nnc(SCc4ccc(Cl)cc4)nc3O2)cc1 ZINC000101008039 554556118 /nfs/dbraw/zinc/55/61/18/554556118.db2.gz BOEVUWIMELOZCU-LJAQVGFWSA-N 1 2 560.167 8.394 40 10 KKCBLO CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC[NH+]3CCOCC3)cc21 ZINC000223171511 571440373 /nfs/dbraw/zinc/44/03/73/571440373.db2.gz IZCVDTQCHLZRSX-CLJLJLNGSA-N 1 2 526.150 5.062 40 10 KKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cccc2ccccc21 ZINC000223180761 571441613 /nfs/dbraw/zinc/44/16/13/571441613.db2.gz KCHGYXQMAMKFGS-IHLOFXLRSA-N 1 2 525.722 5.337 40 10 KKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cccc2ccccc21 ZINC000223180884 571441627 /nfs/dbraw/zinc/44/16/27/571441627.db2.gz KCHGYXQMAMKFGS-KYJUHHDHSA-N 1 2 525.722 5.337 40 10 KKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cc(Cl)ccc1C ZINC000223190521 571442950 /nfs/dbraw/zinc/44/29/50/571442950.db2.gz OMUIZGXYKPVGGC-SXOMAYOGSA-N 1 2 524.134 5.146 40 10 KKCBLO O=C(c1ccccc1)c1cc(Br)ccc1Nc1nc2ccc(Br)cc2c(-c2ccccc2)c1C[NH+]1CCOCC1 ZINC000150347999 571460958 /nfs/dbraw/zinc/46/09/58/571460958.db2.gz VBXZWGYVBZMVQZ-UHFFFAOYSA-N 1 2 657.406 8.234 40 10 KKCBLO CC(/C=C1/SC(=S)N(CCC(=O)NCC[NH+]2CCN(C(=O)CCCN3C(=O)/C(=C/C(C)=C/c4ccccc4)SC3=S)CC2)C1=O)=C\c1ccccc1 ZINC000150447563 571501490 /nfs/dbraw/zinc/50/14/90/571501490.db2.gz BMHRMSBURUPPSC-SXWVIHDSSA-N 1 2 774.072 6.113 40 10 KKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000223899065 571570859 /nfs/dbraw/zinc/57/08/59/571570859.db2.gz POBYLUQAYVIJRA-VMPREFPWSA-N 1 2 510.711 5.798 40 10 KKCBLO COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1 ZINC000225217162 571658923 /nfs/dbraw/zinc/65/89/23/571658923.db2.gz VFXYPGZFLZPNGL-KYJUHHDHSA-N 1 2 554.720 5.317 40 10 KKCBLO COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1 ZINC000225217280 571658927 /nfs/dbraw/zinc/65/89/27/571658927.db2.gz VFXYPGZFLZPNGL-LOYHVIPDSA-N 1 2 554.720 5.317 40 10 KKCBLO COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)ccc1OC ZINC000225297902 571668321 /nfs/dbraw/zinc/66/83/21/571668321.db2.gz HFRRUIYCIOHXKU-IOWSJCHKSA-N 1 2 584.746 5.326 40 10 KKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225397273 571767183 /nfs/dbraw/zinc/76/71/83/571767183.db2.gz IFAVRXOQIQAIKY-VSGBNLITSA-N 1 2 560.749 5.104 40 10 KKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225572409 571933515 /nfs/dbraw/zinc/93/35/15/571933515.db2.gz FVEUOVVPDRFXLE-JSOSNVBQSA-N 1 2 552.748 5.865 40 10 KKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225593118 571948850 /nfs/dbraw/zinc/94/88/50/571948850.db2.gz MTEGFPONTDHDSP-KYJUHHDHSA-N 1 2 556.711 5.696 40 10 KKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225706592 572036670 /nfs/dbraw/zinc/03/66/70/572036670.db2.gz HCVZKLGMMZBXPU-SZAHLOSFSA-N 1 2 588.781 6.710 40 10 KKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225706543 572036877 /nfs/dbraw/zinc/03/68/77/572036877.db2.gz HCVZKLGMMZBXPU-KKLWWLSJSA-N 1 2 588.781 6.710 40 10 KKCBLO CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000409017212 1070397645 /nfs/dbraw/zinc/39/76/45/1070397645.db2.gz XUKAFFFLKDKDHJ-HBMWKUFKSA-N 1 2 632.786 5.418 40 10 KKCBLO COc1ccc(Cl)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n21 ZINC000409018789 1070402270 /nfs/dbraw/zinc/40/22/70/1070402270.db2.gz UWVUWZIRJNYELG-FJNIOPPGSA-N 1 2 619.187 5.322 40 10 KKCBLO CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409033096 1070421528 /nfs/dbraw/zinc/42/15/28/1070421528.db2.gz KZORTIJSVPDKKB-ISZRBDKASA-N 1 2 628.795 5.068 40 10 KKCBLO Cc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000408741534 1071625180 /nfs/dbraw/zinc/62/51/80/1071625180.db2.gz QJJXVBKBHDEYJD-UHFFFAOYSA-N 1 2 504.590 5.744 40 10 KKCBLO CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@@H]1c1cc(Br)ccc1OC ZINC000409014212 1071677201 /nfs/dbraw/zinc/67/72/01/1071677201.db2.gz GNZYJSCFRCJDOE-JBVGNYNVSA-N 1 2 711.682 6.180 40 10 KKCBLO CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409024455 1071711288 /nfs/dbraw/zinc/71/12/88/1071711288.db2.gz SVUCPEJLDSZFQL-NTNOMAAHSA-N 1 2 620.775 5.434 40 10 KKCBLO Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(F)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000409024121 1071713178 /nfs/dbraw/zinc/71/31/78/1071713178.db2.gz WNXRELUFPQBEAR-FATJQOLTSA-N 1 2 605.739 5.487 40 10 KKCBLO CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409107610 1072413343 /nfs/dbraw/zinc/41/33/43/1072413343.db2.gz WYOTWDWQEHBIER-VZVSMJQGSA-N 1 2 647.845 5.739 40 10 KKCBLO CC[NH+](CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4C)C3=O)c2C)cc1 ZINC000409227886 1073029930 /nfs/dbraw/zinc/02/99/30/1073029930.db2.gz SMNYQNZAPRKVJT-XQNSMLJCSA-N 1 2 505.018 5.569 40 10 KKCBLO Oc1cc2c(cc1[C@H](c1ccc(F)cc1)N1CC[NH+]([C@@H](c3ccc(F)cc3)c3cc4c(cc3O)OCO4)CC1)OCO2 ZINC000019364872 553613839 /nfs/dbraw/zinc/61/38/39/553613839.db2.gz KPVZZCLJGKSYAA-ACHIHNKUSA-N 1 2 574.580 5.330 40 10 KKCBLO Oc1cc2c(cc1[C@@H](c1ccc(Cl)cc1)N1CC[NH+]([C@H](c3ccc(Cl)cc3)c3cc4c(cc3O)OCO4)CC1)OCO2 ZINC000022859574 553762162 /nfs/dbraw/zinc/76/21/62/553762162.db2.gz ZUMGLGKJKXIOPJ-ROJLCIKYSA-N 1 2 607.490 6.359 40 10 KKCBLO COc1ccc(CN2C(=O)[C@@]3(SC2=S)[C@@H](c2ccc(Cl)cc2)C[N@H+](C)[C@@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000098007408 554064137 /nfs/dbraw/zinc/06/41/37/554064137.db2.gz TUSBNAZTENHWPG-WWEDSPNTSA-N 1 2 568.095 5.164 40 10 KKCBLO COc1ccc(CN2C(=O)[C@@]3(SC2=S)[C@@H](c2ccc(Cl)cc2)C[N@@H+](C)[C@@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000098007408 554064139 /nfs/dbraw/zinc/06/41/39/554064139.db2.gz TUSBNAZTENHWPG-WWEDSPNTSA-N 1 2 568.095 5.164 40 10 KKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000223144749 571436069 /nfs/dbraw/zinc/43/60/69/571436069.db2.gz BSUDRKPMPQWONY-RPBOFIJWSA-N 1 2 530.525 5.101 40 10 KKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000223188119 571442669 /nfs/dbraw/zinc/44/26/69/571442669.db2.gz JZDWDRBFLMXIRK-UIOOFZCWSA-N 1 2 544.552 5.491 40 10 KKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1c(C)cc(C)cc1C ZINC000223189644 571442815 /nfs/dbraw/zinc/44/28/15/571442815.db2.gz LTQQOLCFKSCKIS-YTMVLYRLSA-N 1 2 517.743 5.109 40 10 KKCBLO COc1ccc(/C=C2/SC(=S)N(CCC(=O)NCC[NH+]3CCN(C(=O)CCCCCN4C(=O)/C(=C/c5ccc(OC)c(OC)c5)SC4=S)CC3)C2=O)cc1OC ZINC000150425839 571490045 /nfs/dbraw/zinc/49/00/45/571490045.db2.gz OEIYATRGZSEONC-GWXBKVTISA-N 1 2 842.100 5.035 40 10 KKCBLO O=C(CCN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S)NCC[NH+]1CCN(C(=O)CCCCCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)CC1 ZINC000150436613 571496229 /nfs/dbraw/zinc/49/62/29/571496229.db2.gz CWKXUNPXCRWJON-XWFWGDPBSA-N 1 2 790.886 6.307 40 10 KKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224639693 571592831 /nfs/dbraw/zinc/59/28/31/571592831.db2.gz CGGILWMIXUONTQ-SAIUNTKASA-N 1 2 559.739 7.525 40 10 KKCBLO COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)cc2)cc1 ZINC000224742135 571612854 /nfs/dbraw/zinc/61/28/54/571612854.db2.gz KPCUROKYRYWRBK-SZAHLOSFSA-N 1 2 589.765 7.533 40 10 KKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225046329 571641814 /nfs/dbraw/zinc/64/18/14/571641814.db2.gz ITZLXAISAFQQMH-IHLOFXLRSA-N 1 2 524.738 6.030 40 10 KKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225371962 571737365 /nfs/dbraw/zinc/73/73/65/571737365.db2.gz HOVZVNPGIPVKTA-ROJLCIKYSA-N 1 2 551.760 7.054 40 10 KKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225397359 571767055 /nfs/dbraw/zinc/76/70/55/571767055.db2.gz IFAVRXOQIQAIKY-WUFINQPMSA-N 1 2 560.749 5.104 40 10 KKCBLO CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC[NH+]3CCOCC3)cc21 ZINC000260916440 571848643 /nfs/dbraw/zinc/84/86/43/571848643.db2.gz IZCVDTQCHLZRSX-FTJBHMTQSA-N 1 2 526.150 5.062 40 10 KKCBLO COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1NS(C)(=O)=O ZINC000225482105 571852543 /nfs/dbraw/zinc/85/25/43/571852543.db2.gz DTIUMPALDFIDPV-WDYNHAJCSA-N 1 2 590.775 5.112 40 10 KKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225631222 571983240 /nfs/dbraw/zinc/98/32/40/571983240.db2.gz MGZSSKPMFINIFX-ZWXJPIIXSA-N 1 2 566.775 6.173 40 10 KKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225687207 572023531 /nfs/dbraw/zinc/02/35/31/572023531.db2.gz BUINOWHHAYBONM-FIRIVFDPSA-N 1 2 552.748 5.865 40 10 KKCBLO CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(O)c(C[NH2+]Cc5ccccc5)c(c(O)c4c(O)c3C)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C)C2=O ZINC000263597893 572128109 /nfs/dbraw/zinc/12/81/09/572128109.db2.gz HHBUXHGNFGUEFR-UELJENKASA-N 1 2 816.945 6.044 40 10 KKCBLO CCC[C@@H]1CC[C@@H]2[C@@H](O1)c1cc(O)c(C[NH+]3CCN(C(=O)COc4ccc(Cl)cc4)CC3)cc1OC2(C)C ZINC000257326745 572318525 /nfs/dbraw/zinc/31/85/25/572318525.db2.gz WYLJYDZTBGCFGP-JUMFHWHPSA-N 1 2 543.104 5.576 40 10 KKCBLO CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1 ZINC000409022698 1070399918 /nfs/dbraw/zinc/39/99/18/1070399918.db2.gz PSMZBYSPEDKRJA-CVNAYVFFSA-N 1 2 602.760 5.409 40 10 KKCBLO Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000409022876 1070400057 /nfs/dbraw/zinc/40/00/57/1070400057.db2.gz VEEKKSOMXDQARK-OUXZYKPHSA-N 1 2 587.749 5.347 40 10 KKCBLO CC[NH+](CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)c2C)cc1 ZINC000408956093 1071380542 /nfs/dbraw/zinc/38/05/42/1071380542.db2.gz VYJFLKSZKDOJRV-HNSNBQBZSA-N 1 2 590.768 7.075 40 10 KKCBLO CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc32)n2c(=O)/c(=C\c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)sc2=N1 ZINC000409016370 1071668323 /nfs/dbraw/zinc/66/83/23/1071668323.db2.gz HTAVTQQHRVAHIQ-BUELQQIUSA-N 1 2 648.829 6.214 40 10 KKCBLO CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000409017209 1071704023 /nfs/dbraw/zinc/70/40/23/1071704023.db2.gz XUKAFFFLKDKDHJ-GSFJQCGGSA-N 1 2 632.786 5.418 40 10 KKCBLO CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@H]1c1cc(Br)ccc1OC ZINC000409023763 1071714157 /nfs/dbraw/zinc/71/41/57/1071714157.db2.gz OXYJXFIYSGGEDZ-VPHSIRQSSA-N 1 2 649.611 5.043 40 10 KKCBLO Oc1cc2c(cc1[C@@H](c1ccc(Cl)cc1)N1CC[NH+]([C@@H](c3ccc(Cl)cc3)c3cc4c(cc3O)OCO4)CC1)OCO2 ZINC000022859572 553762271 /nfs/dbraw/zinc/76/22/71/553762271.db2.gz ZUMGLGKJKXIOPJ-MEKGRNQZSA-N 1 2 607.490 6.359 40 10 KKCBLO Oc1cc2c(cc1[C@@H](c1ccc(Cl)cc1)[NH+]1CCN([C@@H](c3ccc(Cl)cc3)c3cc4c(cc3O)OCO4)CC1)OCO2 ZINC000022859572 553762273 /nfs/dbraw/zinc/76/22/73/553762273.db2.gz ZUMGLGKJKXIOPJ-MEKGRNQZSA-N 1 2 607.490 6.359 40 10 KKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1cccc(Cl)c1Cl ZINC000223144478 571435969 /nfs/dbraw/zinc/43/59/69/571435969.db2.gz GGPQYRMVYXAFKC-RPBOFIJWSA-N 1 2 530.525 5.101 40 10 KKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccccc1C(F)(F)F ZINC000223182623 571441676 /nfs/dbraw/zinc/44/16/76/571441676.db2.gz NLOYWONUUXQASI-UIOOFZCWSA-N 1 2 543.659 5.203 40 10 KKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cccc(Cl)c1Cl ZINC000223187818 571442614 /nfs/dbraw/zinc/44/26/14/571442614.db2.gz BMNFVOKRINDTCX-IZZNHLLZSA-N 1 2 544.552 5.491 40 10 KKCBLO COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1 ZINC000223424027 571474503 /nfs/dbraw/zinc/47/45/03/571474503.db2.gz RVPQQAMOGFXDMD-WDYNHAJCSA-N 1 2 511.695 5.736 40 10 KKCBLO CC(/C=C1/SC(=S)N(CCC(=O)NCC[NH+]2CCN(C(=O)CN3C(=O)/C(=C/C(C)=C/c4ccccc4)SC3=S)CC2)C1=O)=C\c1ccccc1 ZINC000150447570 571501513 /nfs/dbraw/zinc/50/15/13/571501513.db2.gz DBHDHPUPBICKLG-BPGHOMNMSA-N 1 2 746.018 5.332 40 10 KKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224498368 571560892 /nfs/dbraw/zinc/56/08/92/571560892.db2.gz SYMITRKOLSOGHI-RRPNLBNLSA-N 1 2 546.538 6.495 40 10 KKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000223936758 571578870 /nfs/dbraw/zinc/57/88/70/571578870.db2.gz SGOAXYSGDOFVGB-IOWSJCHKSA-N 1 2 552.748 5.569 40 10 KKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224094643 571609162 /nfs/dbraw/zinc/60/91/62/571609162.db2.gz VNDGOOPXOOEYKL-FIRIVFDPSA-N 1 2 566.775 6.635 40 10 KKCBLO COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)c1 ZINC000224841680 571622392 /nfs/dbraw/zinc/62/23/92/571622392.db2.gz WBZQDUMMWYGYJH-URLMMPGGSA-N 1 2 527.694 5.749 40 10 KKCBLO COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)c1 ZINC000224841579 571622423 /nfs/dbraw/zinc/62/24/23/571622423.db2.gz WBZQDUMMWYGYJH-VMPREFPWSA-N 1 2 527.694 5.749 40 10 KKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224871952 571625282 /nfs/dbraw/zinc/62/52/82/571625282.db2.gz YUBPWRKAUGHNHH-SXOMAYOGSA-N 1 2 518.086 6.091 40 10 KKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225132777 571650417 /nfs/dbraw/zinc/65/04/17/571650417.db2.gz SBKMGYQILOBKSB-LOYHVIPDSA-N 1 2 587.193 6.980 40 10 KKCBLO CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1C ZINC000225160587 571653347 /nfs/dbraw/zinc/65/33/47/571653347.db2.gz LHLOSULIHOBJAF-IOWSJCHKSA-N 1 2 552.748 6.389 40 10 KKCBLO COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1Cl ZINC000225244818 571661991 /nfs/dbraw/zinc/66/19/91/571661991.db2.gz GPVOGLWATKKZHE-KYJUHHDHSA-N 1 2 589.165 5.971 40 10 KKCBLO COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)ccc1NS(C)(=O)=O ZINC000225428122 571795139 /nfs/dbraw/zinc/79/51/39/571795139.db2.gz OCSVDXCEUMUMSO-VMPREFPWSA-N 1 2 590.775 5.112 40 10 KKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225456378 571827977 /nfs/dbraw/zinc/82/79/77/571827977.db2.gz BIUPLBNGOZPFFL-URLMMPGGSA-N 1 2 574.776 5.412 40 10 KKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225631193 571983408 /nfs/dbraw/zinc/98/34/08/571983408.db2.gz MGZSSKPMFINIFX-ROJLCIKYSA-N 1 2 566.775 6.173 40 10 KKCBLO COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc([NH+](C)C)cc2)c1C ZINC000225668331 572010313 /nfs/dbraw/zinc/01/03/13/572010313.db2.gz XPJPUSREMVNERQ-FIRIVFDPSA-N 1 2 568.747 5.565 40 10 KKCBLO CC1(C)Oc2cc(C[NH+]3CCN(C(=O)COc4ccc(Cl)cc4)CC3)c(O)cc2[C@@H]2O[C@H](Cc3ccc(F)cc3)CC[C@H]21 ZINC000257270966 572312927 /nfs/dbraw/zinc/31/29/27/572312927.db2.gz MWIYRVDARQBJSF-UFPFOHJASA-N 1 2 609.138 6.158 40 10 KKCBLO CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000409015646 1071671394 /nfs/dbraw/zinc/67/13/94/1071671394.db2.gz CTZKFMHIAAPBCJ-GSFJQCGGSA-N 1 2 648.854 6.131 40 10 KKCBLO Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000409014751 1071674489 /nfs/dbraw/zinc/67/44/89/1071674489.db2.gz JBDIBWPVLXQOOV-AOFXREQWSA-N 1 2 622.194 6.001 40 10 KKCBLO CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)sc2=N1 ZINC000409024374 1071712218 /nfs/dbraw/zinc/71/22/18/1071712218.db2.gz XOHTZBKBNUKGQA-GJKZIJEQSA-N 1 2 598.769 5.061 40 10 KKCBLO CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(Br)c2)n2c(=O)/c(=C\c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)sc2=N1 ZINC000409023063 1071716834 /nfs/dbraw/zinc/71/68/34/1071716834.db2.gz CKYQGFGULYNJTG-ASUJOLEISA-N 1 2 677.665 5.823 40 10 KKCBLO Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(C(C)C)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000409022307 1071719395 /nfs/dbraw/zinc/71/93/95/1071719395.db2.gz MRWNOHMDXMBWSN-GTIUJOIGSA-N 1 2 629.830 6.471 40 10 KKCBLO CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409021456 1071723219 /nfs/dbraw/zinc/72/32/19/1071723219.db2.gz IVVBNHJWMHKUKN-HRIDGTDGSA-N 1 2 649.611 5.043 40 10 KKCBLO CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)C2=O)cc1 ZINC000409097355 1072337872 /nfs/dbraw/zinc/33/78/72/1072337872.db2.gz NBDISBRUISORMH-PCLIKHOPSA-N 1 2 518.639 5.234 40 10 KKCBLO Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000409232019 1073063569 /nfs/dbraw/zinc/06/35/69/1073063569.db2.gz NKVHERONBULYFR-OEAKJJBVSA-N 1 2 509.031 5.489 40 10 KKCBLO C[NH+](Cc1cc(Br)cc(Br)c1O)Cc1cc(Br)cc(Br)c1O ZINC000001681076 551688893 /nfs/dbraw/zinc/68/88/93/551688893.db2.gz GPUQTFCKYDVYTD-UHFFFAOYSA-N 1 2 558.890 5.780 40 10 KKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cc(Cl)ccc1C ZINC000223190580 571443112 /nfs/dbraw/zinc/44/31/12/571443112.db2.gz OMUIZGXYKPVGGC-RRPNLBNLSA-N 1 2 524.134 5.146 40 10 KKCBLO Cc1ccc(/C=C2/SC(=S)N(CCC(=O)NCC[NH+]3CCN(C(=O)CCCCCN4C(=O)/C(=C/c5ccc(C)cc5)SC4=S)CC3)C2=O)cc1 ZINC000150447658 571501557 /nfs/dbraw/zinc/50/15/57/571501557.db2.gz WKLAJOSLQWMOON-LQAAPGBJSA-N 1 2 750.050 5.617 40 10 KKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224370299 571531743 /nfs/dbraw/zinc/53/17/43/571531743.db2.gz AZKMXIQFWQGBCU-KYJUHHDHSA-N 1 2 509.723 6.856 40 10 KKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224370248 571531798 /nfs/dbraw/zinc/53/17/98/571531798.db2.gz AZKMXIQFWQGBCU-XZWHSSHBSA-N 1 2 509.723 6.856 40 10 KKCBLO CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1 ZINC000223977428 571587456 /nfs/dbraw/zinc/58/74/56/571587456.db2.gz AYQULMSDNFJAED-URLMMPGGSA-N 1 2 524.694 5.691 40 10 KKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224016811 571595843 /nfs/dbraw/zinc/59/58/43/571595843.db2.gz KLSRDIJKCHZTSJ-VSGBNLITSA-N 1 2 511.651 5.461 40 10 KKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224673376 571600375 /nfs/dbraw/zinc/60/03/75/571600375.db2.gz TVXOOBNVHUCGCP-HEVIKAOCSA-N 1 2 573.766 7.833 40 10 KKCBLO COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)c1 ZINC000224841629 571622382 /nfs/dbraw/zinc/62/23/82/571622382.db2.gz WBZQDUMMWYGYJH-WDYNHAJCSA-N 1 2 527.694 5.749 40 10 KKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224931309 571631230 /nfs/dbraw/zinc/63/12/30/571631230.db2.gz NZVKUXLSXMSHGZ-WUFINQPMSA-N 1 2 560.565 6.803 40 10 KKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224989380 571636794 /nfs/dbraw/zinc/63/67/94/571636794.db2.gz HXFXKZXPTRSTKS-CZNDPXEESA-N 1 2 599.248 7.622 40 10 KKCBLO CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1C ZINC000225160509 571653332 /nfs/dbraw/zinc/65/33/32/571653332.db2.gz LHLOSULIHOBJAF-CONSDPRKSA-N 1 2 552.748 6.389 40 10 KKCBLO COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1 ZINC000225217238 571658901 /nfs/dbraw/zinc/65/89/01/571658901.db2.gz VFXYPGZFLZPNGL-XZWHSSHBSA-N 1 2 554.720 5.317 40 10 KKCBLO COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1Cl ZINC000225244914 571662008 /nfs/dbraw/zinc/66/20/08/571662008.db2.gz GPVOGLWATKKZHE-LOYHVIPDSA-N 1 2 589.165 5.971 40 10 KKCBLO COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1NC(C)=O ZINC000225320813 571675777 /nfs/dbraw/zinc/67/57/77/571675777.db2.gz GMEJYHYWSMOULB-LOYHVIPDSA-N 1 2 554.720 5.699 40 10 KKCBLO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NS(C)(=O)=O)c3)c2C)cc1 ZINC000225482344 571852959 /nfs/dbraw/zinc/85/29/59/571852959.db2.gz PONMDPINQMOZHK-CONSDPRKSA-N 1 2 618.829 5.893 40 10 KKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225506706 571877667 /nfs/dbraw/zinc/87/76/67/571877667.db2.gz GKYFMHLARCEJEO-WDYNHAJCSA-N 1 2 524.694 5.166 40 10 KKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225530025 571896877 /nfs/dbraw/zinc/89/68/77/571896877.db2.gz RBFYQGBKFORTAE-IHLOFXLRSA-N 1 2 538.721 5.556 40 10 KKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225529989 571896913 /nfs/dbraw/zinc/89/69/13/571896913.db2.gz RBFYQGBKFORTAE-LOYHVIPDSA-N 1 2 538.721 5.556 40 10 KKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225648928 571997831 /nfs/dbraw/zinc/99/78/31/571997831.db2.gz JZXKHEQMWJIMTO-IOWSJCHKSA-N 1 2 552.748 5.865 40 10 KKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225687239 572023655 /nfs/dbraw/zinc/02/36/55/572023655.db2.gz BUINOWHHAYBONM-JSOSNVBQSA-N 1 2 552.748 5.865 40 10 KKCBLO CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CC[NH+](Cc4ccccc4)CC3)=NC2=O)c1 ZINC000102687428 1069707239 /nfs/dbraw/zinc/70/72/39/1069707239.db2.gz WPPKDVLWROBQOZ-JBASAIQMSA-N 1 2 563.727 6.116 40 10 KKCBLO CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000409018076 1070392376 /nfs/dbraw/zinc/39/23/76/1070392376.db2.gz QMFHZGURDKLJNH-GSFJQCGGSA-N 1 2 632.786 5.418 40 10 KKCBLO COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc([NH+](C)C)cc5)c4C)c(=O)n32)cc1 ZINC000409087928 1070521767 /nfs/dbraw/zinc/52/17/67/1070521767.db2.gz VAYTUPCESGGVQG-YWEMJKAQSA-N 1 2 617.775 5.356 40 10 KKCBLO CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409016705 1071667231 /nfs/dbraw/zinc/66/72/31/1071667231.db2.gz GVLOJWCAJZAGEJ-GOQPZEPVSA-N 1 2 637.205 6.063 40 10 KKCBLO CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000409016346 1071668353 /nfs/dbraw/zinc/66/83/53/1071668353.db2.gz RMUXCUIWSHEELT-GOQPZEPVSA-N 1 2 620.750 5.548 40 10 KKCBLO CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000409015653 1071671331 /nfs/dbraw/zinc/67/13/31/1071671331.db2.gz CTZKFMHIAAPBCJ-HBMWKUFKSA-N 1 2 648.854 6.131 40 10 KKCBLO CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@H]1c1cc(Br)ccc1OC ZINC000409014215 1071677197 /nfs/dbraw/zinc/67/71/97/1071677197.db2.gz GNZYJSCFRCJDOE-OTHIGLTOSA-N 1 2 711.682 6.180 40 10 KKCBLO CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C\c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)sc2=N1 ZINC000409014223 1071677731 /nfs/dbraw/zinc/67/77/31/1071677731.db2.gz GVLUBYIOLLQCHK-VMCUCKNMSA-N 1 2 610.824 6.175 40 10 KKCBLO CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C/c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)sc2=N1 ZINC000409021858 1071720967 /nfs/dbraw/zinc/72/09/67/1071720967.db2.gz CJEKKXJBUNYFHG-DDIUQFJASA-N 1 2 633.214 5.714 40 10 KKCBLO CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc([NH+](C)C)cc5)c4C)c(=O)n32)cc1 ZINC000409023014 1071716826 /nfs/dbraw/zinc/71/68/26/1071716826.db2.gz BBKYRZQKIOJEEP-HVDVVURSSA-N 1 2 598.769 5.059 40 10 KKCBLO CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409120350 1072431864 /nfs/dbraw/zinc/43/18/64/1072431864.db2.gz VFHRQLBLRCIASQ-DDBFQISPSA-N 1 2 602.204 5.231 40 10 KKCBLO CC[NH+](CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cc(C)ccc4C)C3=O)c2C)cc1 ZINC000409240625 1073107286 /nfs/dbraw/zinc/10/72/86/1073107286.db2.gz QTGWQGBEWVOOMZ-KOEQRZSOSA-N 1 2 500.668 5.388 40 10 KKCBLO Oc1c(Br)cc(Br)cc1C[NH+](Cc1cc(Br)cc(Br)c1O)C1CCCCC1 ZINC000003954036 552423539 /nfs/dbraw/zinc/42/35/39/552423539.db2.gz CHKKLLVNGFVSBH-UHFFFAOYSA-N 1 2 627.009 7.483 40 10 in-vitro KKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1c(C)cc(C)cc1C ZINC000223189585 571442844 /nfs/dbraw/zinc/44/28/44/571442844.db2.gz LTQQOLCFKSCKIS-LMSSTIIKSA-N 1 2 517.743 5.109 40 10 KKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224707576 571607278 /nfs/dbraw/zinc/60/72/78/571607278.db2.gz OTDXSDGGZLRKFM-HEVIKAOCSA-N 1 2 573.766 7.833 40 10 KKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224707529 571607361 /nfs/dbraw/zinc/60/73/61/571607361.db2.gz OTDXSDGGZLRKFM-SZAHLOSFSA-N 1 2 573.766 7.833 40 10 KKCBLO COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)cc2)cc1 ZINC000224742173 571612883 /nfs/dbraw/zinc/61/28/83/571612883.db2.gz KPCUROKYRYWRBK-KKLWWLSJSA-N 1 2 589.765 7.533 40 10 KKCBLO COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)c(OC)c1 ZINC000224808924 571619088 /nfs/dbraw/zinc/61/90/88/571619088.db2.gz JLPJMDNIZWOQLI-VMPREFPWSA-N 1 2 527.694 5.749 40 10 KKCBLO CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1OC ZINC000225188801 571656065 /nfs/dbraw/zinc/65/60/65/571656065.db2.gz FUIIOUYGBVXFLG-IOWSJCHKSA-N 1 2 568.747 6.089 40 10 KKCBLO COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1Cl ZINC000225244843 571662003 /nfs/dbraw/zinc/66/20/03/571662003.db2.gz GPVOGLWATKKZHE-IHLOFXLRSA-N 1 2 589.165 5.971 40 10 KKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225346203 571706306 /nfs/dbraw/zinc/70/63/06/571706306.db2.gz UUBOIICNCPAODA-XZWHSSHBSA-N 1 2 525.722 6.519 40 10 KKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225456342 571828054 /nfs/dbraw/zinc/82/80/54/571828054.db2.gz BIUPLBNGOZPFFL-WDYNHAJCSA-N 1 2 574.776 5.412 40 10 KKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@@H](C)C3)c(Cl)c2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000260917968 571851602 /nfs/dbraw/zinc/85/16/02/571851602.db2.gz KHEHUXLAUQWOJY-XPTBSDKWSA-N 1 2 613.275 7.868 40 10 KKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225530044 571896785 /nfs/dbraw/zinc/89/67/85/571896785.db2.gz RBFYQGBKFORTAE-XZWHSSHBSA-N 1 2 538.721 5.556 40 10 KKCBLO CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc([NH+](C)C)cc2)c1C ZINC000225551145 571914233 /nfs/dbraw/zinc/91/42/33/571914233.db2.gz BAIZUAVBOLPZOV-ZWXJPIIXSA-N 1 2 566.775 6.119 40 10 KKCBLO COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n21 ZINC000409013700 1071678821 /nfs/dbraw/zinc/67/88/21/1071678821.db2.gz DBLGHMINIOTCJD-TZUCAZQYSA-N 1 2 663.638 5.431 40 10 KKCBLO Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000409024120 1071713092 /nfs/dbraw/zinc/71/30/92/1071713092.db2.gz WNXRELUFPQBEAR-AOFXREQWSA-N 1 2 605.739 5.487 40 10 KKCBLO CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000409022088 1071720475 /nfs/dbraw/zinc/72/04/75/1071720475.db2.gz DVSDDNUBRUGDNV-MDNSZFDISA-N 1 2 646.813 5.808 40 10 KKCBLO Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000409022899 1071717272 /nfs/dbraw/zinc/71/72/72/1071717272.db2.gz HTAHZKVKOIRDLH-XGLKJEJJSA-N 1 2 593.778 5.409 40 10 KKCBLO CC[NH+](CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)c2C)cc1 ZINC000409128212 1072527533 /nfs/dbraw/zinc/52/75/33/1072527533.db2.gz HSOHBEYTIQBBME-KOEQRZSOSA-N 1 2 500.668 5.388 40 10 KKCBLO Oc1cc2c(cc1[C@@H](c1ccc(F)cc1)N1CC[NH+]([C@H](c3ccc(F)cc3)c3cc4c(cc3O)OCO4)CC1)OCO2 ZINC000019364875 553613752 /nfs/dbraw/zinc/61/37/52/553613752.db2.gz KPVZZCLJGKSYAA-ROJLCIKYSA-N 1 2 574.580 5.330 40 10 KKCBLO Cc1cc(C=O)c(O)c(CN(CC[N@H+](Cc2ccco2)Cc2cc(C)cc(C=O)c2O)Cc2ccco2)c1 ZINC000019370085 553614189 /nfs/dbraw/zinc/61/41/89/553614189.db2.gz PHEVGSJYQDNGCF-UHFFFAOYSA-N 1 2 516.594 5.230 40 10 KKCBLO Cc1cc(C=O)c(O)c(CN(CC[N@@H+](Cc2ccco2)Cc2cc(C)cc(C=O)c2O)Cc2ccco2)c1 ZINC000019370085 553614192 /nfs/dbraw/zinc/61/41/92/553614192.db2.gz PHEVGSJYQDNGCF-UHFFFAOYSA-N 1 2 516.594 5.230 40 10 KKCBLO CCOC(=O)c1c(C[NH+]2CCN(c3ccccc3C)CC2)n(-c2ccccc2)c2cc(Br)c([O-])c(C[NH+](C)C)c21 ZINC000098006332 554061476 /nfs/dbraw/zinc/06/14/76/554061476.db2.gz HKMHJWYIFCXJLG-UHFFFAOYSA-N 1 2 605.577 5.968 40 10 KKCBLO CCOC(=O)c1c(C)n(Cc2ccccc2)c2cc(Br)c(O)c(C[NH+]3CCC(C(=O)OCC)(c4ccccc4)CC3)c21 ZINC000100223532 554252392 /nfs/dbraw/zinc/25/23/92/554252392.db2.gz PYVFVBNCBOALLV-UHFFFAOYSA-N 1 2 633.583 6.740 40 10 KKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cccc(Cl)c1C ZINC000223189882 571442934 /nfs/dbraw/zinc/44/29/34/571442934.db2.gz NXQNEAFZPARPCH-SVBPBHIXSA-N 1 2 524.134 5.146 40 10 KKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224132615 571483028 /nfs/dbraw/zinc/48/30/28/571483028.db2.gz KHEHUXLAUQWOJY-REDDFQDCSA-N 1 2 613.275 7.868 40 10 KKCBLO O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NCC[NH+]1CCN(C(=O)CCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)CC1 ZINC000150436308 571496166 /nfs/dbraw/zinc/49/61/66/571496166.db2.gz TZXPGJFCACNUED-GAHATOAQSA-N 1 2 748.805 5.137 40 10 KKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000223936694 571578831 /nfs/dbraw/zinc/57/88/31/571578831.db2.gz SGOAXYSGDOFVGB-JSOSNVBQSA-N 1 2 552.748 5.569 40 10 KKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224094696 571609144 /nfs/dbraw/zinc/60/91/44/571609144.db2.gz VNDGOOPXOOEYKL-JSOSNVBQSA-N 1 2 566.775 6.635 40 10 KKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224775946 571616027 /nfs/dbraw/zinc/61/60/27/571616027.db2.gz FSIROQRZXKAYRF-LQJZCPKCSA-N 1 2 620.804 7.792 40 10 KKCBLO COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1Cl ZINC000224960662 571634111 /nfs/dbraw/zinc/63/41/11/571634111.db2.gz KVAGNJCOMVUTLO-NSOVKSMOSA-N 1 2 532.113 6.394 40 10 KKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224989496 571636872 /nfs/dbraw/zinc/63/68/72/571636872.db2.gz HXFXKZXPTRSTKS-LQJZCPKCSA-N 1 2 599.248 7.622 40 10 KKCBLO COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1NC(C)=O ZINC000225320780 571675820 /nfs/dbraw/zinc/67/58/20/571675820.db2.gz GMEJYHYWSMOULB-XZWHSSHBSA-N 1 2 554.720 5.699 40 10 KKCBLO COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)ccc1NS(C)(=O)=O ZINC000225428200 571795153 /nfs/dbraw/zinc/79/51/53/571795153.db2.gz OCSVDXCEUMUMSO-URLMMPGGSA-N 1 2 590.775 5.112 40 10 KKCBLO CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC[NH+]3CCOCC3)cc21 ZINC000260916448 571848486 /nfs/dbraw/zinc/84/84/86/571848486.db2.gz IZCVDTQCHLZRSX-UIOOFZCWSA-N 1 2 526.150 5.062 40 10 KKCBLO COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1NS(C)(=O)=O ZINC000225482069 571852561 /nfs/dbraw/zinc/85/25/61/571852561.db2.gz DTIUMPALDFIDPV-VMPREFPWSA-N 1 2 590.775 5.112 40 10 KKCBLO CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc([NH+](C)C)cc2)c1C ZINC000225551179 571914127 /nfs/dbraw/zinc/91/41/27/571914127.db2.gz BAIZUAVBOLPZOV-AJQTZOPKSA-N 1 2 566.775 6.119 40 10 KKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225572436 571933634 /nfs/dbraw/zinc/93/36/34/571933634.db2.gz FVEUOVVPDRFXLE-IOWSJCHKSA-N 1 2 552.748 5.865 40 10 KKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225593087 571949015 /nfs/dbraw/zinc/94/90/15/571949015.db2.gz MTEGFPONTDHDSP-XZWHSSHBSA-N 1 2 556.711 5.696 40 10 KKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225613377 571964642 /nfs/dbraw/zinc/96/46/42/571964642.db2.gz SLWZNZVEJJGSBW-XZWHSSHBSA-N 1 2 556.711 5.696 40 10 KKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225613320 571964763 /nfs/dbraw/zinc/96/47/63/571964763.db2.gz SLWZNZVEJJGSBW-LOYHVIPDSA-N 1 2 556.711 5.696 40 10 KKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225631236 571983378 /nfs/dbraw/zinc/98/33/78/571983378.db2.gz MGZSSKPMFINIFX-AJQTZOPKSA-N 1 2 566.775 6.173 40 10 KKCBLO CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CC[NH+](Cc4ccccc4)CC3)=NC2=O)c1 ZINC000102687378 1069707210 /nfs/dbraw/zinc/70/72/10/1069707210.db2.gz PVKHKFBWMIKMOF-UQRQXUALSA-N 1 2 577.754 6.506 40 10 KKCBLO O=C1N=C(N2CC[NH+](Cc3ccccc3)CC2)S/C1=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 ZINC000103822804 1069714273 /nfs/dbraw/zinc/71/42/73/1069714273.db2.gz BSCVJEGGPBRALG-ZTKZIYFRSA-N 1 2 545.668 6.074 40 10 KKCBLO CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc32)n2c(=O)/c(=C\c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)sc2=N1 ZINC000409016372 1070396752 /nfs/dbraw/zinc/39/67/52/1070396752.db2.gz HTAVTQQHRVAHIQ-YUEMOGKHSA-N 1 2 648.829 6.214 40 10 KKCBLO CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@H]1c1cccs1 ZINC000409015637 1071671344 /nfs/dbraw/zinc/67/13/44/1071671344.db2.gz CSUHCSNCEMFFIP-YOWYGEOISA-N 1 2 608.789 5.471 40 10 KKCBLO CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)n2c(=O)/c(=C\c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)sc2=N1 ZINC000409024408 1071712759 /nfs/dbraw/zinc/71/27/59/1071712759.db2.gz RYMDJTNAFXAABU-GJKZIJEQSA-N 1 2 598.769 5.061 40 10 KKCBLO S=C(Oc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000409334764 1072343647 /nfs/dbraw/zinc/34/36/47/1072343647.db2.gz MCWZRKOEFVWDNW-UHFFFAOYSA-N 1 2 501.615 5.970 40 10 KKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cccc(Cl)c1C ZINC000223189831 571442997 /nfs/dbraw/zinc/44/29/97/571442997.db2.gz NXQNEAFZPARPCH-RRPNLBNLSA-N 1 2 524.134 5.146 40 10 KKCBLO CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c1C ZINC000223191498 571443150 /nfs/dbraw/zinc/44/31/50/571443150.db2.gz UZPACILQAQQCMU-XRKRLSELSA-N 1 2 517.743 5.055 40 10 KKCBLO COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1 ZINC000223424133 571474570 /nfs/dbraw/zinc/47/45/70/571474570.db2.gz RVPQQAMOGFXDMD-FQLXRVMXSA-N 1 2 511.695 5.736 40 10 KKCBLO COc1cccc(/C=C2\SC(=S)N(CCCC(=O)N3CC[NH+](CCNC(=O)CCCN4C(=O)/C(=C/c5cccc(Br)c5)SC4=S)CC3)C2=O)c1 ZINC000150408764 571481009 /nfs/dbraw/zinc/48/10/09/571481009.db2.gz NPRNINSCNHTKPA-UNVYMFJTSA-N 1 2 816.891 5.381 40 10 KKCBLO O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)NCC[NH+]1CCN(C(=O)CCCCCN2C(=O)/C(=C/c3ccccc3)SC2=S)CC1 ZINC000150447693 571501522 /nfs/dbraw/zinc/50/15/22/571501522.db2.gz PJRHOQURGVUDPT-JEUVFDQPSA-N 1 2 721.996 5.000 40 10 KKCBLO CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1 ZINC000223801460 571546631 /nfs/dbraw/zinc/54/66/31/571546631.db2.gz NAOJZJVDKOAUJV-FQLXRVMXSA-N 1 2 511.695 6.131 40 10 KKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224466720 571552548 /nfs/dbraw/zinc/55/25/48/571552548.db2.gz ZQGALMHYPJGZRQ-KAYWLYCHSA-N 1 2 502.087 6.386 40 10 KKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224673333 571600345 /nfs/dbraw/zinc/60/03/45/571600345.db2.gz TVXOOBNVHUCGCP-SZAHLOSFSA-N 1 2 573.766 7.833 40 10 KKCBLO COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1C ZINC000225271079 571665025 /nfs/dbraw/zinc/66/50/25/571665025.db2.gz ASQVWHCFFJVKSG-FIRIVFDPSA-N 1 2 568.747 5.626 40 10 KKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225346241 571706388 /nfs/dbraw/zinc/70/63/88/571706388.db2.gz UUBOIICNCPAODA-KYJUHHDHSA-N 1 2 525.722 6.519 40 10 KKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225346169 571706390 /nfs/dbraw/zinc/70/63/90/571706390.db2.gz UUBOIICNCPAODA-IHLOFXLRSA-N 1 2 525.722 6.519 40 10 KKCBLO COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)ccc1NS(C)(=O)=O ZINC000225428174 571795048 /nfs/dbraw/zinc/79/50/48/571795048.db2.gz OCSVDXCEUMUMSO-WDYNHAJCSA-N 1 2 590.775 5.112 40 10 KKCBLO CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC[NH+]3CCOCC3)cc21 ZINC000260916445 571848571 /nfs/dbraw/zinc/84/85/71/571848571.db2.gz IZCVDTQCHLZRSX-IZZNHLLZSA-N 1 2 526.150 5.062 40 10 KKCBLO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NS(C)(=O)=O)c3)c2C)cc1 ZINC000225482309 571852991 /nfs/dbraw/zinc/85/29/91/571852991.db2.gz PONMDPINQMOZHK-IOWSJCHKSA-N 1 2 618.829 5.893 40 10 KKCBLO CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc([NH+](C)C)cc2)c1C ZINC000225551207 571914249 /nfs/dbraw/zinc/91/42/49/571914249.db2.gz BAIZUAVBOLPZOV-ROJLCIKYSA-N 1 2 566.775 6.119 40 10 KKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225572379 571933465 /nfs/dbraw/zinc/93/34/65/571933465.db2.gz FVEUOVVPDRFXLE-FIRIVFDPSA-N 1 2 552.748 5.865 40 10 KKCBLO CC1(C)Oc2cc(C[NH+]3CCN(C(=O)COc4ccc(Cl)cc4)CC3)c(O)cc2[C@@H]2O[C@H](c3ccccc3)CC[C@H]21 ZINC000257316633 572317337 /nfs/dbraw/zinc/31/73/37/572317337.db2.gz VGKCHPUUMUFPAL-IGKQJQGVSA-N 1 2 577.121 6.149 40 10 KKCBLO CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000409022790 1070400017 /nfs/dbraw/zinc/40/00/17/1070400017.db2.gz FLCLPXHCVZZYIE-JEBSQDRDSA-N 1 2 646.769 5.138 40 10 KKCBLO Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000409022872 1070400075 /nfs/dbraw/zinc/40/00/75/1070400075.db2.gz VEEKKSOMXDQARK-NSQMGQQPSA-N 1 2 587.749 5.347 40 10 KKCBLO CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000409016200 1071668871 /nfs/dbraw/zinc/66/88/71/1071668871.db2.gz DWPNDQOHNLAYKN-JBVGNYNVSA-N 1 2 667.231 6.071 40 10 KKCBLO CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)sc2=N1 ZINC000409014761 1071674856 /nfs/dbraw/zinc/67/48/56/1071674856.db2.gz JBSXSESOFKBXAO-ISZRBDKASA-N 1 2 628.795 5.069 40 10 KKCBLO CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000409014102 1071676604 /nfs/dbraw/zinc/67/66/04/1071676604.db2.gz FBBKZDZFRQITES-USPORGMFSA-N 1 2 644.841 6.533 40 10 KKCBLO CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C\c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)sc2=N1 ZINC000409014221 1071677878 /nfs/dbraw/zinc/67/78/78/1071677878.db2.gz GVLUBYIOLLQCHK-LMBBUSAASA-N 1 2 610.824 6.175 40 10 KKCBLO Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(C(C)C)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000409022306 1071719427 /nfs/dbraw/zinc/71/94/27/1071719427.db2.gz MRWNOHMDXMBWSN-FVJLIQDKSA-N 1 2 629.830 6.471 40 10 KKCBLO CC(C)(C)c1cc(Br)c(O)c(C[NH+](Cc2cc(C(C)(C)C)cc(Br)c2O)C2CCCCC2)c1 ZINC000001679641 551688903 /nfs/dbraw/zinc/68/89/03/551688903.db2.gz NQIXBTDGJGXIGS-UHFFFAOYSA-N 1 2 581.433 8.553 40 10 in-vitro KKCBLO S=C(NCCCCCCNC(=S)Nc1c2ccccc2[nH+]c2ccccc21)Nc1c2ccccc2nc2ccccc21 ZINC000005615927 552505443 /nfs/dbraw/zinc/50/54/43/552505443.db2.gz AENUNLQZPTXCFH-UHFFFAOYSA-N 1 2 588.806 7.923 40 10 KKCBLO COc1ccc(CN2C(=O)[C@@]3(SC2=S)[C@H](c2ccc(Cl)cc2)C[N@H+](C)[C@@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000098007409 554064211 /nfs/dbraw/zinc/06/42/11/554064211.db2.gz TUSBNAZTENHWPG-FAQZDJIUSA-N 1 2 568.095 5.164 40 10 KKCBLO COc1ccc(CN2C(=O)[C@@]3(SC2=S)[C@H](c2ccc(Cl)cc2)C[N@@H+](C)[C@@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000098007409 554064215 /nfs/dbraw/zinc/06/42/15/554064215.db2.gz TUSBNAZTENHWPG-FAQZDJIUSA-N 1 2 568.095 5.164 40 10 KKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1cccc(Cl)c1Cl ZINC000223144418 571435975 /nfs/dbraw/zinc/43/59/75/571435975.db2.gz GGPQYRMVYXAFKC-JWQCQUIFSA-N 1 2 530.525 5.101 40 10 KKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccccc1C(F)(F)F ZINC000223182571 571441691 /nfs/dbraw/zinc/44/16/91/571441691.db2.gz NLOYWONUUXQASI-IZZNHLLZSA-N 1 2 543.659 5.203 40 10 KKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccccc1C(F)(F)F ZINC000223182509 571441712 /nfs/dbraw/zinc/44/17/12/571441712.db2.gz NLOYWONUUXQASI-FTJBHMTQSA-N 1 2 543.659 5.203 40 10 KKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cc(Cl)ccc1C ZINC000223190456 571442940 /nfs/dbraw/zinc/44/29/40/571442940.db2.gz OMUIZGXYKPVGGC-KAYWLYCHSA-N 1 2 524.134 5.146 40 10 KKCBLO COc1cc([C@H](c2cc3c(cc2O)OCO3)N2CC[NH+]([C@H](c3cc(OC)c(OC)c(OC)c3)c3cc4c(cc3O)OCO4)CC2)cc(OC)c1OC ZINC000150404980 571479263 /nfs/dbraw/zinc/47/92/63/571479263.db2.gz WAXKDOZZYGIANY-LQFQNGICSA-N 1 2 718.756 5.103 40 10 KKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224370155 571531758 /nfs/dbraw/zinc/53/17/58/571531758.db2.gz AZKMXIQFWQGBCU-LOYHVIPDSA-N 1 2 509.723 6.856 40 10 KKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224466799 571552519 /nfs/dbraw/zinc/55/25/19/571552519.db2.gz ZQGALMHYPJGZRQ-RRPNLBNLSA-N 1 2 502.087 6.386 40 10 KKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224639781 571592811 /nfs/dbraw/zinc/59/28/11/571592811.db2.gz CGGILWMIXUONTQ-LQJZCPKCSA-N 1 2 559.739 7.525 40 10 KKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224094799 571609126 /nfs/dbraw/zinc/60/91/26/571609126.db2.gz VNDGOOPXOOEYKL-CONSDPRKSA-N 1 2 566.775 6.635 40 10 KKCBLO COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)cc2)cc1 ZINC000224742069 571612850 /nfs/dbraw/zinc/61/28/50/571612850.db2.gz KPCUROKYRYWRBK-NOCHOARKSA-N 1 2 589.765 7.533 40 10 KKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225075385 571644504 /nfs/dbraw/zinc/64/45/04/571644504.db2.gz RROSRKYGIGIANB-OIDHKYIRSA-N 1 2 616.791 6.750 40 10 KKCBLO CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1C ZINC000225160551 571653314 /nfs/dbraw/zinc/65/33/14/571653314.db2.gz LHLOSULIHOBJAF-JSOSNVBQSA-N 1 2 552.748 6.389 40 10 KKCBLO CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1OC ZINC000225188841 571656078 /nfs/dbraw/zinc/65/60/78/571656078.db2.gz FUIIOUYGBVXFLG-FIRIVFDPSA-N 1 2 568.747 6.089 40 10 KKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225530084 571896810 /nfs/dbraw/zinc/89/68/10/571896810.db2.gz RBFYQGBKFORTAE-KYJUHHDHSA-N 1 2 538.721 5.556 40 10 KKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225613345 571964744 /nfs/dbraw/zinc/96/47/44/571964744.db2.gz SLWZNZVEJJGSBW-IHLOFXLRSA-N 1 2 556.711 5.696 40 10 KKCBLO COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc([NH+](C)C)cc2)c1C ZINC000225668270 572010384 /nfs/dbraw/zinc/01/03/84/572010384.db2.gz XPJPUSREMVNERQ-JSOSNVBQSA-N 1 2 568.747 5.565 40 10 KKCBLO CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(O)c(C[NH2+]Cc5ccccc5)c(c(O)c4c(O)c3C)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C)C2=O ZINC000263597892 572128144 /nfs/dbraw/zinc/12/81/44/572128144.db2.gz HHBUXHGNFGUEFR-QREYOABZSA-N 1 2 816.945 6.044 40 10 KKCBLO Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000409022392 1071719743 /nfs/dbraw/zinc/71/97/43/1071719743.db2.gz MVQDJSZRHBKNSA-HRIDGTDGSA-N 1 2 589.161 5.314 40 10 KKCBLO CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(Br)c2)n2c(=O)/c(=C\c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)sc2=N1 ZINC000409023065 1071716717 /nfs/dbraw/zinc/71/67/17/1071716717.db2.gz CKYQGFGULYNJTG-OGMUYLFESA-N 1 2 677.665 5.823 40 10 KKCBLO CC[NH+](CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4C)C3=O)c2C)cc1 ZINC000409073889 1072072207 /nfs/dbraw/zinc/07/22/07/1072072207.db2.gz NVXZEEANKNQWFZ-XQNSMLJCSA-N 1 2 521.086 5.733 40 10 KKCBLO CC[NH+](CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4Cl)C3=O)c2C)cc1 ZINC000409102112 1072311380 /nfs/dbraw/zinc/31/13/80/1072311380.db2.gz COMQYQNVAXHKQF-RCCKNPSSSA-N 1 2 525.436 5.914 40 10 KKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000223188065 571442595 /nfs/dbraw/zinc/44/25/95/571442595.db2.gz JZDWDRBFLMXIRK-IZZNHLLZSA-N 1 2 544.552 5.491 40 10 KKCBLO CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)N3CC[NH+](CCNC(=O)CCCN4C(=O)/C(=C/c5cccc(Br)c5)SC4=S)CC3)C2=O)cc1 ZINC000150392024 571474271 /nfs/dbraw/zinc/47/42/71/571474271.db2.gz SXMPCKMOZTVRES-HONQWNAWSA-N 1 2 814.919 5.935 40 10 KKCBLO COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1 ZINC000223424081 571474500 /nfs/dbraw/zinc/47/45/00/571474500.db2.gz RVPQQAMOGFXDMD-URLMMPGGSA-N 1 2 511.695 5.736 40 10 KKCBLO O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)NCC[NH+]1CCN(C(=O)CCN2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)CC1 ZINC000150444558 571499715 /nfs/dbraw/zinc/49/97/15/571499715.db2.gz WACFSBFJKHHZMS-GAHATOAQSA-N 1 2 837.707 5.355 40 10 KKCBLO CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1 ZINC000223977322 571587397 /nfs/dbraw/zinc/58/73/97/571587397.db2.gz AYQULMSDNFJAED-VMPREFPWSA-N 1 2 524.694 5.691 40 10 KKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224639638 571592798 /nfs/dbraw/zinc/59/27/98/571592798.db2.gz CGGILWMIXUONTQ-CZNDPXEESA-N 1 2 559.739 7.525 40 10 KKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224016968 571595981 /nfs/dbraw/zinc/59/59/81/571595981.db2.gz KLSRDIJKCHZTSJ-NSOVKSMOSA-N 1 2 511.651 5.461 40 10 KKCBLO COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1Cl ZINC000224055980 571603357 /nfs/dbraw/zinc/60/33/57/571603357.db2.gz TVRZMBFGJRFQBQ-KYJUHHDHSA-N 1 2 576.166 6.411 40 10 KKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224707424 571607200 /nfs/dbraw/zinc/60/72/00/571607200.db2.gz OTDXSDGGZLRKFM-KKLWWLSJSA-N 1 2 573.766 7.833 40 10 KKCBLO COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1Cl ZINC000224960732 571634076 /nfs/dbraw/zinc/63/40/76/571634076.db2.gz KVAGNJCOMVUTLO-WUFINQPMSA-N 1 2 532.113 6.394 40 10 KKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225132850 571650393 /nfs/dbraw/zinc/65/03/93/571650393.db2.gz SBKMGYQILOBKSB-XZWHSSHBSA-N 1 2 587.193 6.980 40 10 KKCBLO CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1OC ZINC000225188722 571656089 /nfs/dbraw/zinc/65/60/89/571656089.db2.gz FUIIOUYGBVXFLG-CONSDPRKSA-N 1 2 568.747 6.089 40 10 KKCBLO COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1Cl ZINC000225244876 571661987 /nfs/dbraw/zinc/66/19/87/571661987.db2.gz GPVOGLWATKKZHE-XZWHSSHBSA-N 1 2 589.165 5.971 40 10 KKCBLO COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)ccc1OC ZINC000225297934 571668276 /nfs/dbraw/zinc/66/82/76/571668276.db2.gz HFRRUIYCIOHXKU-FIRIVFDPSA-N 1 2 584.746 5.326 40 10 KKCBLO CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc([NH+](C)C)cc2)c1C ZINC000225551118 571914189 /nfs/dbraw/zinc/91/41/89/571914189.db2.gz BAIZUAVBOLPZOV-ACHIHNKUSA-N 1 2 566.775 6.119 40 10 KKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225648950 571997770 /nfs/dbraw/zinc/99/77/70/571997770.db2.gz JZXKHEQMWJIMTO-CONSDPRKSA-N 1 2 552.748 5.865 40 10 KKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225648883 571997825 /nfs/dbraw/zinc/99/78/25/571997825.db2.gz JZXKHEQMWJIMTO-FIRIVFDPSA-N 1 2 552.748 5.865 40 10 KKCBLO CC[NH+](CC)Cc1c(O)c2c3c4c(C)c(O)c2c(O)c1NC(=O)C(C)=CC=C[C@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)C=CO[C@@](C)(O4)C3=O ZINC000263605117 572129504 /nfs/dbraw/zinc/12/95/04/572129504.db2.gz PHNHLMKMZYDVBQ-ZRKUDPJGSA-N 1 2 782.928 5.596 40 10 KKCBLO CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(O)c(C[NH2+]Cc5ccccc5)c(c(O)c4c(O)c3C)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C)C2=O ZINC000263597891 1071323588 /nfs/dbraw/zinc/32/35/88/1071323588.db2.gz HHBUXHGNFGUEFR-OBIUJDMJSA-N 1 2 816.945 6.044 40 10 KKCBLO O=C(Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)c1ccc(OC(=S)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000408975248 1071476174 /nfs/dbraw/zinc/47/61/74/1071476174.db2.gz LDZNRIGVMVWOHQ-UHFFFAOYSA-N 1 2 620.738 7.223 40 10 KKCBLO CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(=O)/c(=C\c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)sc2=N1 ZINC000409024368 1071712322 /nfs/dbraw/zinc/71/23/22/1071712322.db2.gz XOHTZBKBNUKGQA-CXABMRDKSA-N 1 2 598.769 5.061 40 10 KKCBLO Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000409022897 1071717238 /nfs/dbraw/zinc/71/72/38/1071717238.db2.gz HTAHZKVKOIRDLH-RAWKODRKSA-N 1 2 593.778 5.409 40 10 KKCBLO CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000409022788 1071717732 /nfs/dbraw/zinc/71/77/32/1071717732.db2.gz FLCLPXHCVZZYIE-IYCJABBDSA-N 1 2 646.769 5.138 40 10 KKCBLO CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000409018901 1071730851 /nfs/dbraw/zinc/73/08/51/1071730851.db2.gz YECMKOYOYQTLKD-HGGMLFSRSA-N 1 2 660.840 6.196 40 10 KKCBLO CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409107603 1072413330 /nfs/dbraw/zinc/41/33/30/1072413330.db2.gz WYOTWDWQEHBIER-FUZBLHKMSA-N 1 2 647.845 5.739 40 10 KKCBLO CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409120354 1072431911 /nfs/dbraw/zinc/43/19/11/1072431911.db2.gz VFHRQLBLRCIASQ-WWWKDLBZSA-N 1 2 602.204 5.231 40 10 KKCBLO COc1cc(/C=C2\SC(N3CC[NH+](Cc4ccccc4)CC3)=NC2=O)ccc1OCc1ccc(C)cc1 ZINC000009188904 553218225 /nfs/dbraw/zinc/21/82/25/553218225.db2.gz DFFSQUMKUMEWAW-USHMODERSA-N 1 2 513.663 5.371 40 10 KKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1cccc(Cl)c1Cl ZINC000223144610 571435919 /nfs/dbraw/zinc/43/59/19/571435919.db2.gz GGPQYRMVYXAFKC-DQEYMECFSA-N 1 2 530.525 5.101 40 10 KKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000223144878 571436000 /nfs/dbraw/zinc/43/60/00/571436000.db2.gz BSUDRKPMPQWONY-DQEYMECFSA-N 1 2 530.525 5.101 40 10 KKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000223169876 571440050 /nfs/dbraw/zinc/44/00/50/571440050.db2.gz RITDHTBRRPGMJT-CLJLJLNGSA-N 1 2 543.659 5.203 40 10 KKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000223170053 571440082 /nfs/dbraw/zinc/44/00/82/571440082.db2.gz RITDHTBRRPGMJT-UIOOFZCWSA-N 1 2 543.659 5.203 40 10 KKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cccc2ccccc21 ZINC000223180832 571441600 /nfs/dbraw/zinc/44/16/00/571441600.db2.gz KCHGYXQMAMKFGS-XZWHSSHBSA-N 1 2 525.722 5.337 40 10 KKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccccc1C(F)(F)F ZINC000223182459 571441678 /nfs/dbraw/zinc/44/16/78/571441678.db2.gz NLOYWONUUXQASI-CLJLJLNGSA-N 1 2 543.659 5.203 40 10 KKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cccc(Cl)c1Cl ZINC000223187696 571442619 /nfs/dbraw/zinc/44/26/19/571442619.db2.gz BMNFVOKRINDTCX-CLJLJLNGSA-N 1 2 544.552 5.491 40 10 KKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000223188004 571442672 /nfs/dbraw/zinc/44/26/72/571442672.db2.gz JZDWDRBFLMXIRK-FTJBHMTQSA-N 1 2 544.552 5.491 40 10 KKCBLO CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c1C ZINC000223191558 571443155 /nfs/dbraw/zinc/44/31/55/571443155.db2.gz UZPACILQAQQCMU-PXJZQJOASA-N 1 2 517.743 5.055 40 10 KKCBLO COc1ccc([C@@H](c2cc3c(cc2O)OCO3)[NH+]2CCN([C@H](c3ccc(OC)cc3OC)c3cc4c(cc3O)OCO4)CC2)c(OC)c1 ZINC000150405406 571479318 /nfs/dbraw/zinc/47/93/18/571479318.db2.gz MNYBEIKWMIRDJS-TYHGNQNSSA-N 1 2 658.704 5.086 40 10 KKCBLO COc1ccc([C@@H](c2cc3c(cc2O)OCO3)N2CC[NH+]([C@H](c3ccc(OC)cc3OC)c3cc4c(cc3O)OCO4)CC2)c(OC)c1 ZINC000150405406 571479320 /nfs/dbraw/zinc/47/93/20/571479320.db2.gz MNYBEIKWMIRDJS-TYHGNQNSSA-N 1 2 658.704 5.086 40 10 KKCBLO COc1ccc([C@@H](c2cc3c(cc2O)OCO3)N2CC[NH+]([C@@H](c3ccc(OC)cc3OC)c3cc4c(cc3O)OCO4)CC2)c(OC)c1 ZINC000150405402 571479368 /nfs/dbraw/zinc/47/93/68/571479368.db2.gz MNYBEIKWMIRDJS-ZPGRZCPFSA-N 1 2 658.704 5.086 40 10 KKCBLO Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)NCC[NH+]3CCN(C(=O)CCCN4C(=O)/C(=C/c5ccc(C)cc5)SC4=S)CC3)C2=O)cc1 ZINC000150436293 571496061 /nfs/dbraw/zinc/49/60/61/571496061.db2.gz LMGAUCCBCGZGSA-PROVRCSXSA-N 1 2 736.023 5.227 40 10 KKCBLO O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NCC[NH+]1CCN(C(=O)CCCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)CC1 ZINC000150436313 571496291 /nfs/dbraw/zinc/49/62/91/571496291.db2.gz DGIIJWCTLJUBEZ-PLNZPELQSA-N 1 2 776.859 5.917 40 10 KKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224370203 571531748 /nfs/dbraw/zinc/53/17/48/571531748.db2.gz AZKMXIQFWQGBCU-IHLOFXLRSA-N 1 2 509.723 6.856 40 10 KKCBLO CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1 ZINC000223801404 571546623 /nfs/dbraw/zinc/54/66/23/571546623.db2.gz NAOJZJVDKOAUJV-URLMMPGGSA-N 1 2 511.695 6.131 40 10 KKCBLO CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1 ZINC000223801347 571546647 /nfs/dbraw/zinc/54/66/47/571546647.db2.gz NAOJZJVDKOAUJV-WDYNHAJCSA-N 1 2 511.695 6.131 40 10 KKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000223899012 571570693 /nfs/dbraw/zinc/57/06/93/571570693.db2.gz POBYLUQAYVIJRA-URLMMPGGSA-N 1 2 510.711 5.798 40 10 KKCBLO COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1Cl ZINC000224056035 571603312 /nfs/dbraw/zinc/60/33/12/571603312.db2.gz TVRZMBFGJRFQBQ-IHLOFXLRSA-N 1 2 576.166 6.411 40 10 KKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224094748 571609148 /nfs/dbraw/zinc/60/91/48/571609148.db2.gz VNDGOOPXOOEYKL-IOWSJCHKSA-N 1 2 566.775 6.635 40 10 KKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225075310 571644500 /nfs/dbraw/zinc/64/45/00/571644500.db2.gz RROSRKYGIGIANB-VSJLXWSYSA-N 1 2 616.791 6.750 40 10 KKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225346127 571706348 /nfs/dbraw/zinc/70/63/48/571706348.db2.gz UUBOIICNCPAODA-LOYHVIPDSA-N 1 2 525.722 6.519 40 10 KKCBLO COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc([NH+](C)C)cc2)c1C ZINC000225668240 572010336 /nfs/dbraw/zinc/01/03/36/572010336.db2.gz XPJPUSREMVNERQ-CONSDPRKSA-N 1 2 568.747 5.565 40 10 KKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225687287 572023589 /nfs/dbraw/zinc/02/35/89/572023589.db2.gz BUINOWHHAYBONM-CONSDPRKSA-N 1 2 552.748 5.865 40 10 KKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225706568 572036657 /nfs/dbraw/zinc/03/66/57/572036657.db2.gz HCVZKLGMMZBXPU-NOCHOARKSA-N 1 2 588.781 6.710 40 10 KKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225706615 572036842 /nfs/dbraw/zinc/03/68/42/572036842.db2.gz HCVZKLGMMZBXPU-HEVIKAOCSA-N 1 2 588.781 6.710 40 10 KKCBLO CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc([NH+](C)C)cc5)c4C)c(=O)n32)cc1 ZINC000409023017 1070400639 /nfs/dbraw/zinc/40/06/39/1070400639.db2.gz BBKYRZQKIOJEEP-WOSHRIRTSA-N 1 2 598.769 5.059 40 10 KKCBLO CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc([NH+](CC)CC)cc4)c3C)C(=O)NC2=S)cc1 ZINC000409375160 1070898295 /nfs/dbraw/zinc/89/82/95/1070898295.db2.gz GNHKLTUZKKYVJV-NLRVBDNBSA-N 1 2 500.668 5.334 40 10 KKCBLO CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409016709 1071665995 /nfs/dbraw/zinc/66/59/95/1071665995.db2.gz GVLOJWCAJZAGEJ-GSASKQFNSA-N 1 2 637.205 6.063 40 10 KKCBLO COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n21 ZINC000409013698 1071678763 /nfs/dbraw/zinc/67/87/63/1071678763.db2.gz DBLGHMINIOTCJD-FJNIOPPGSA-N 1 2 663.638 5.431 40 10 KKCBLO CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@@H]1c1cc(Br)ccc1OC ZINC000409023764 1071714107 /nfs/dbraw/zinc/71/41/07/1071714107.db2.gz OXYJXFIYSGGEDZ-YVBHXKDBSA-N 1 2 649.611 5.043 40 10 KKCBLO CC[NH+](CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)c2C)cc1 ZINC000409127903 1072528794 /nfs/dbraw/zinc/52/87/94/1072528794.db2.gz KGBPXBALZROOQG-KOEQRZSOSA-N 1 2 500.668 5.388 40 10 KKCBLO CC[NH+](CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2C)cc1 ZINC000409245971 1073079706 /nfs/dbraw/zinc/07/97/06/1073079706.db2.gz BTHQBZFTSHTYBU-BUVRLJJBSA-N 1 2 540.611 5.790 40 10 KKCBLO CCn1cc(/C=C2/c3ccc(Cl)cc3N(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)c2ccccc21 ZINC000008764798 553138132 /nfs/dbraw/zinc/13/81/32/553138132.db2.gz SIDDCUWVUDPVKI-FJIKOBKFSA-N 1 2 525.052 5.440 40 10 KKCBLO CCn1cc(/C=C2/c3ccc(Cl)cc3N(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)c2ccccc21 ZINC000008764798 553138133 /nfs/dbraw/zinc/13/81/33/553138133.db2.gz SIDDCUWVUDPVKI-FJIKOBKFSA-N 1 2 525.052 5.440 40 10 KKCBLO CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C)[C@H]([NH2+][C@@H](C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000097999469 554043213 /nfs/dbraw/zinc/04/32/13/554043213.db2.gz GYWXPURVSNZRDM-WOEXDYTESA-N 1 2 610.864 10.250 40 10 KKCBLO CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C)[C@H]([NH2+][C@@H](C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000097999469 554043215 /nfs/dbraw/zinc/04/32/15/554043215.db2.gz GYWXPURVSNZRDM-WOEXDYTESA-N 1 2 610.864 10.250 40 10 KKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000223144807 571436020 /nfs/dbraw/zinc/43/60/20/571436020.db2.gz BSUDRKPMPQWONY-LOSJGSFVSA-N 1 2 530.525 5.101 40 10 KKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cccc2ccccc21 ZINC000223180703 571441532 /nfs/dbraw/zinc/44/15/32/571441532.db2.gz KCHGYXQMAMKFGS-LOYHVIPDSA-N 1 2 525.722 5.337 40 10 KKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cccc(Cl)c1Cl ZINC000223187872 571442591 /nfs/dbraw/zinc/44/25/91/571442591.db2.gz BMNFVOKRINDTCX-UIOOFZCWSA-N 1 2 544.552 5.491 40 10 KKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cccc(Cl)c1C ZINC000223189775 571442967 /nfs/dbraw/zinc/44/29/67/571442967.db2.gz NXQNEAFZPARPCH-SXOMAYOGSA-N 1 2 524.134 5.146 40 10 KKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224132473 571482949 /nfs/dbraw/zinc/48/29/49/571482949.db2.gz KHEHUXLAUQWOJY-WADAGNOZSA-N 1 2 613.275 7.868 40 10 KKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224132531 571483059 /nfs/dbraw/zinc/48/30/59/571483059.db2.gz KHEHUXLAUQWOJY-NTQNKHNGSA-N 1 2 613.275 7.868 40 10 KKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000223936819 571579013 /nfs/dbraw/zinc/57/90/13/571579013.db2.gz SGOAXYSGDOFVGB-CONSDPRKSA-N 1 2 552.748 5.569 40 10 KKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224639737 571592883 /nfs/dbraw/zinc/59/28/83/571592883.db2.gz CGGILWMIXUONTQ-JHOUSYSJSA-N 1 2 559.739 7.525 40 10 KKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224673237 571600371 /nfs/dbraw/zinc/60/03/71/571600371.db2.gz TVXOOBNVHUCGCP-KKLWWLSJSA-N 1 2 573.766 7.833 40 10 KKCBLO COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1Cl ZINC000224056152 571603350 /nfs/dbraw/zinc/60/33/50/571603350.db2.gz TVRZMBFGJRFQBQ-LOYHVIPDSA-N 1 2 576.166 6.411 40 10 KKCBLO COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)c(OC)c1 ZINC000224809021 571619166 /nfs/dbraw/zinc/61/91/66/571619166.db2.gz JLPJMDNIZWOQLI-URLMMPGGSA-N 1 2 527.694 5.749 40 10 KKCBLO COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)c1 ZINC000224841720 571622420 /nfs/dbraw/zinc/62/24/20/571622420.db2.gz WBZQDUMMWYGYJH-FQLXRVMXSA-N 1 2 527.694 5.749 40 10 KKCBLO COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1Cl ZINC000224960695 571634123 /nfs/dbraw/zinc/63/41/23/571634123.db2.gz KVAGNJCOMVUTLO-IZLXSDGUSA-N 1 2 532.113 6.394 40 10 KKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225046367 571641854 /nfs/dbraw/zinc/64/18/54/571641854.db2.gz ITZLXAISAFQQMH-XZWHSSHBSA-N 1 2 524.738 6.030 40 10 KKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225075428 571644553 /nfs/dbraw/zinc/64/45/53/571644553.db2.gz RROSRKYGIGIANB-PXLJZGITSA-N 1 2 616.791 6.750 40 10 KKCBLO COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)ccc1OC ZINC000225297058 571668120 /nfs/dbraw/zinc/66/81/20/571668120.db2.gz HFRRUIYCIOHXKU-CONSDPRKSA-N 1 2 584.746 5.326 40 10 KKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225397401 571767208 /nfs/dbraw/zinc/76/72/08/571767208.db2.gz IFAVRXOQIQAIKY-NSOVKSMOSA-N 1 2 560.749 5.104 40 10 KKCBLO COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1NS(C)(=O)=O ZINC000225482180 571853048 /nfs/dbraw/zinc/85/30/48/571853048.db2.gz DTIUMPALDFIDPV-FQLXRVMXSA-N 1 2 590.775 5.112 40 10 KKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225572460 571933508 /nfs/dbraw/zinc/93/35/08/571933508.db2.gz FVEUOVVPDRFXLE-CONSDPRKSA-N 1 2 552.748 5.865 40 10 KKCBLO CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000409018078 1070392444 /nfs/dbraw/zinc/39/24/44/1070392444.db2.gz QMFHZGURDKLJNH-HBMWKUFKSA-N 1 2 632.786 5.418 40 10 KKCBLO CC[NH+](CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)c(C)c4)C3=O)c2C)cc1 ZINC000408753613 1071657398 /nfs/dbraw/zinc/65/73/98/1071657398.db2.gz NPOHPHHDTQVVOS-LFVJCYFKSA-N 1 2 549.469 5.678 40 10 KKCBLO CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000409014099 1071676711 /nfs/dbraw/zinc/67/67/11/1071676711.db2.gz FBBKZDZFRQITES-OHZLDYPRSA-N 1 2 644.841 6.533 40 10 KKCBLO CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409024458 1071711274 /nfs/dbraw/zinc/71/12/74/1071711274.db2.gz SVUCPEJLDSZFQL-UFKHLRDRSA-N 1 2 620.775 5.434 40 10 KKCBLO C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183797 1072780811 /nfs/dbraw/zinc/78/08/11/1072780811.db2.gz DOUBPICDRKSUNB-BGJJWFEMSA-N 1 2 683.878 7.553 40 10 KKCBLO CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)[C@H]([NH2+][C@@H](C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000097999467 554043172 /nfs/dbraw/zinc/04/31/72/554043172.db2.gz GYWXPURVSNZRDM-VAUQXRHESA-N 1 2 610.864 10.250 40 10 KKCBLO CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)[C@H]([NH2+][C@@H](C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000097999467 554043176 /nfs/dbraw/zinc/04/31/76/554043176.db2.gz GYWXPURVSNZRDM-VAUQXRHESA-N 1 2 610.864 10.250 40 10 KKCBLO CCCC[NH+](CCCC)c1ccc([C@@H]2Nc3ccccc3-c3nnc(SCc4ccc(Cl)cc4)nc3O2)cc1 ZINC000101008036 554556114 /nfs/dbraw/zinc/55/61/14/554556114.db2.gz BOEVUWIMELOZCU-GDLZYMKVSA-N 1 2 560.167 8.394 40 10 KKCBLO CC(NCCc1c[nH]c[nH+]1)=C1C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(Cl)cc1 ZINC000101771865 554837687 /nfs/dbraw/zinc/83/76/87/554837687.db2.gz QSHGUEZLBGBCFH-PXLXIMEGSA-N 1 2 509.060 5.274 40 10 KKCBLO CC(NCCc1c[nH+]c[nH]1)=C1C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(Cl)cc1 ZINC000101771865 554837690 /nfs/dbraw/zinc/83/76/90/554837690.db2.gz QSHGUEZLBGBCFH-PXLXIMEGSA-N 1 2 509.060 5.274 40 10 KKCBLO CC[NH+](CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c2C)cc1 ZINC000103859090 571366960 /nfs/dbraw/zinc/36/69/60/571366960.db2.gz IHCKGMNDCBAVTL-LFVJCYFKSA-N 1 2 535.442 5.369 40 10 KKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cccc(Cl)c1Cl ZINC000223187758 571442667 /nfs/dbraw/zinc/44/26/67/571442667.db2.gz BMNFVOKRINDTCX-FTJBHMTQSA-N 1 2 544.552 5.491 40 10 KKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1c(C)cc(C)cc1C ZINC000223189464 571442860 /nfs/dbraw/zinc/44/28/60/571442860.db2.gz LTQQOLCFKSCKIS-XRKRLSELSA-N 1 2 517.743 5.109 40 10 KKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cccc(Cl)c1C ZINC000223189714 571442892 /nfs/dbraw/zinc/44/28/92/571442892.db2.gz NXQNEAFZPARPCH-KAYWLYCHSA-N 1 2 524.134 5.146 40 10 KKCBLO CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c1C ZINC000223191621 571443178 /nfs/dbraw/zinc/44/31/78/571443178.db2.gz UZPACILQAQQCMU-LMSSTIIKSA-N 1 2 517.743 5.055 40 10 KKCBLO CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c1C ZINC000223191676 571443198 /nfs/dbraw/zinc/44/31/98/571443198.db2.gz UZPACILQAQQCMU-YTMVLYRLSA-N 1 2 517.743 5.055 40 10 KKCBLO CCOC(=O)c1c(C)n(-c2cccc(Br)c2)c2cc(Br)c(O)c(C[NH+]3CCN(c4ccccc4C)CC3)c21 ZINC000150390118 571472390 /nfs/dbraw/zinc/47/23/90/571472390.db2.gz IMWONKFNAURKHZ-UHFFFAOYSA-N 1 2 641.404 6.977 40 10 KKCBLO COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1 ZINC000223423970 571474560 /nfs/dbraw/zinc/47/45/60/571474560.db2.gz RVPQQAMOGFXDMD-VMPREFPWSA-N 1 2 511.695 5.736 40 10 KKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224498277 571560757 /nfs/dbraw/zinc/56/07/57/571560757.db2.gz SYMITRKOLSOGHI-KAYWLYCHSA-N 1 2 546.538 6.495 40 10 KKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224498327 571560846 /nfs/dbraw/zinc/56/08/46/571560846.db2.gz SYMITRKOLSOGHI-SXOMAYOGSA-N 1 2 546.538 6.495 40 10 KKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000223936638 571578900 /nfs/dbraw/zinc/57/89/00/571578900.db2.gz SGOAXYSGDOFVGB-FIRIVFDPSA-N 1 2 552.748 5.569 40 10 KKCBLO COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)cc2)cc1 ZINC000224742047 571612848 /nfs/dbraw/zinc/61/28/48/571612848.db2.gz KPCUROKYRYWRBK-HEVIKAOCSA-N 1 2 589.765 7.533 40 10 KKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224931269 571631191 /nfs/dbraw/zinc/63/11/91/571631191.db2.gz NZVKUXLSXMSHGZ-IZLXSDGUSA-N 1 2 560.565 6.803 40 10 KKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225046408 571641848 /nfs/dbraw/zinc/64/18/48/571641848.db2.gz ITZLXAISAFQQMH-KYJUHHDHSA-N 1 2 524.738 6.030 40 10 KKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225132816 571650391 /nfs/dbraw/zinc/65/03/91/571650391.db2.gz SBKMGYQILOBKSB-IHLOFXLRSA-N 1 2 587.193 6.980 40 10 KKCBLO CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1OC ZINC000225188762 571656081 /nfs/dbraw/zinc/65/60/81/571656081.db2.gz FUIIOUYGBVXFLG-JSOSNVBQSA-N 1 2 568.747 6.089 40 10 KKCBLO COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1C ZINC000225270977 571665006 /nfs/dbraw/zinc/66/50/06/571665006.db2.gz ASQVWHCFFJVKSG-CONSDPRKSA-N 1 2 568.747 5.626 40 10 KKCBLO COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1C ZINC000225271014 571665036 /nfs/dbraw/zinc/66/50/36/571665036.db2.gz ASQVWHCFFJVKSG-JSOSNVBQSA-N 1 2 568.747 5.626 40 10 KKCBLO COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1NC(C)=O ZINC000225320745 571675935 /nfs/dbraw/zinc/67/59/35/571675935.db2.gz GMEJYHYWSMOULB-IHLOFXLRSA-N 1 2 554.720 5.699 40 10 KKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225372034 571737600 /nfs/dbraw/zinc/73/76/00/571737600.db2.gz HOVZVNPGIPVKTA-AJQTZOPKSA-N 1 2 551.760 7.054 40 10 KKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225456410 571827965 /nfs/dbraw/zinc/82/79/65/571827965.db2.gz BIUPLBNGOZPFFL-VMPREFPWSA-N 1 2 574.776 5.412 40 10 KKCBLO CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NS(C)(=O)=O)c3)c2C)cc1 ZINC000225482274 571852976 /nfs/dbraw/zinc/85/29/76/571852976.db2.gz PONMDPINQMOZHK-JSOSNVBQSA-N 1 2 618.829 5.893 40 10 KKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225593028 571948714 /nfs/dbraw/zinc/94/87/14/571948714.db2.gz MTEGFPONTDHDSP-LOYHVIPDSA-N 1 2 556.711 5.696 40 10 KKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225631268 571983224 /nfs/dbraw/zinc/98/32/24/571983224.db2.gz MGZSSKPMFINIFX-ACHIHNKUSA-N 1 2 566.775 6.173 40 10 KKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225687263 572023517 /nfs/dbraw/zinc/02/35/17/572023517.db2.gz BUINOWHHAYBONM-IOWSJCHKSA-N 1 2 552.748 5.865 40 10 KKCBLO CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@@H]1c1cccs1 ZINC000409015631 1070395614 /nfs/dbraw/zinc/39/56/14/1070395614.db2.gz CSUHCSNCEMFFIP-CYGYJLBOSA-N 1 2 608.789 5.471 40 10 KKCBLO CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000409018898 1070402169 /nfs/dbraw/zinc/40/21/69/1070402169.db2.gz YECMKOYOYQTLKD-GNZKFENCSA-N 1 2 660.840 6.196 40 10 KKCBLO CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409091244 1070526635 /nfs/dbraw/zinc/52/66/35/1070526635.db2.gz SAEJHCYLWJYWNZ-OKMHPQNISA-N 1 2 693.664 5.442 40 10 KKCBLO Cc1ccc(N2C(=O)/C(=C\c3cccn3-c3ccc([NH+](C)C)cc3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000408954315 1071391971 /nfs/dbraw/zinc/39/19/71/1071391971.db2.gz SLKQJJFXADKJFP-RRAHZORUSA-N 1 2 520.658 5.908 40 10 KKCBLO CC[NH+](CC)c1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccc(C)c(Cl)c4)C3=O)c2C)cc1 ZINC000408985695 1071497772 /nfs/dbraw/zinc/49/77/72/1071497772.db2.gz XTLICRPBUMDJPQ-IWIPYMOSSA-N 1 2 505.018 5.569 40 10 KKCBLO Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000409014753 1071674878 /nfs/dbraw/zinc/67/48/78/1071674878.db2.gz JBDIBWPVLXQOOV-FATJQOLTSA-N 1 2 622.194 6.001 40 10 KKCBLO CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C/c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)sc2=N1 ZINC000409021859 1071721057 /nfs/dbraw/zinc/72/10/57/1071721057.db2.gz CJEKKXJBUNYFHG-IMUCPKNRSA-N 1 2 633.214 5.714 40 10 KKCBLO COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc([NH+](C)C)cc5)c4C)c(=O)n32)c1 ZINC000409022686 1071718565 /nfs/dbraw/zinc/71/85/65/1071718565.db2.gz PHTZMFVCRIJOIR-LMBBUSAASA-N 1 2 617.775 5.356 40 10 KKCBLO CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409021457 1071723171 /nfs/dbraw/zinc/72/31/71/1071723171.db2.gz IVVBNHJWMHKUKN-NULZLWRNSA-N 1 2 649.611 5.043 40 10 KKCBLO CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409091243 1072273233 /nfs/dbraw/zinc/27/32/33/1072273233.db2.gz SAEJHCYLWJYWNZ-OCDQFKQQSA-N 1 2 693.664 5.442 40 10 KKCBLO CC[NH+](CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(Cl)c4)C3=O)c2C)cc1 ZINC000409242165 1073097942 /nfs/dbraw/zinc/09/79/42/1073097942.db2.gz NCXNUUJUWWXFFQ-BUVRLJJBSA-N 1 2 521.086 5.733 40 10 KKCBLO C[C@@]12C[C@@H](CC(C)(C)C1)[N@H+](Cc1c(O)ccc3cc(-c4nc(-c5ccc(Br)cc5)cs4)c(=O)oc31)C2 ZINC000001799146 551703298 /nfs/dbraw/zinc/70/32/98/551703298.db2.gz FLSPKZMMXYJVNO-ACSYHNTCSA-N 1 2 565.533 7.452 40 10 KKCBLO C[C@@]12C[C@@H](CC(C)(C)C1)[N@@H+](Cc1c(O)ccc3cc(-c4nc(-c5ccc(Br)cc5)cs4)c(=O)oc31)C2 ZINC000001799146 551703301 /nfs/dbraw/zinc/70/33/01/551703301.db2.gz FLSPKZMMXYJVNO-ACSYHNTCSA-N 1 2 565.533 7.452 40 10 KKCBLO S=C(Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000033406472 553958922 /nfs/dbraw/zinc/95/89/22/553958922.db2.gz HUYGZHMJYXPCAC-UHFFFAOYSA-N 1 2 500.631 6.003 40 10 KKCBLO Cc1cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000059138979 554382881 /nfs/dbraw/zinc/38/28/81/554382881.db2.gz QHWZXFHLJKIPFX-ZTKZIYFRSA-N 1 2 518.617 6.052 40 10 KKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1cccc(Cl)c1Cl ZINC000223144543 571435853 /nfs/dbraw/zinc/43/58/53/571435853.db2.gz GGPQYRMVYXAFKC-LOSJGSFVSA-N 1 2 530.525 5.101 40 10 KKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cc(Cl)ccc1C ZINC000223190645 571443053 /nfs/dbraw/zinc/44/30/53/571443053.db2.gz OMUIZGXYKPVGGC-SVBPBHIXSA-N 1 2 524.134 5.146 40 10 KKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224466765 571552580 /nfs/dbraw/zinc/55/25/80/571552580.db2.gz ZQGALMHYPJGZRQ-SXOMAYOGSA-N 1 2 502.087 6.386 40 10 KKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224498419 571560864 /nfs/dbraw/zinc/56/08/64/571560864.db2.gz SYMITRKOLSOGHI-SVBPBHIXSA-N 1 2 546.538 6.495 40 10 KKCBLO COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)c(OC)c1 ZINC000224809058 571619155 /nfs/dbraw/zinc/61/91/55/571619155.db2.gz JLPJMDNIZWOQLI-FQLXRVMXSA-N 1 2 527.694 5.749 40 10 KKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224931352 571631187 /nfs/dbraw/zinc/63/11/87/571631187.db2.gz NZVKUXLSXMSHGZ-NSOVKSMOSA-N 1 2 560.565 6.803 40 10 KKCBLO COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225104263 571647598 /nfs/dbraw/zinc/64/75/98/571647598.db2.gz RJYROHMPFXIZQC-JSOSNVBQSA-N 1 2 596.801 6.725 40 10 KKCBLO COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)ccc1OC ZINC000225297094 571668145 /nfs/dbraw/zinc/66/81/45/571668145.db2.gz HFRRUIYCIOHXKU-JSOSNVBQSA-N 1 2 584.746 5.326 40 10 KKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225371999 571737590 /nfs/dbraw/zinc/73/75/90/571737590.db2.gz HOVZVNPGIPVKTA-ZWXJPIIXSA-N 1 2 551.760 7.054 40 10 KKCBLO COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)ccc1NS(C)(=O)=O ZINC000225428239 571795170 /nfs/dbraw/zinc/79/51/70/571795170.db2.gz OCSVDXCEUMUMSO-FQLXRVMXSA-N 1 2 590.775 5.112 40 10 KKCBLO COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1NS(C)(=O)=O ZINC000225482145 571852522 /nfs/dbraw/zinc/85/25/22/571852522.db2.gz DTIUMPALDFIDPV-URLMMPGGSA-N 1 2 590.775 5.112 40 10 KKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225593058 571948957 /nfs/dbraw/zinc/94/89/57/571948957.db2.gz MTEGFPONTDHDSP-IHLOFXLRSA-N 1 2 556.711 5.696 40 10 KKCBLO COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CC[NH+](Cc4ccccc4)CC3)=NC2=O)c1 ZINC000102687400 1069707271 /nfs/dbraw/zinc/70/72/71/1069707271.db2.gz LOUHITLIVZHVOT-VFCFBJKWSA-N 1 2 535.673 5.336 40 10 KKCBLO CC[NH+](CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(F)c(Cl)c4)C3=O)c2C)cc1 ZINC000408967172 1070332629 /nfs/dbraw/zinc/33/26/29/1070332629.db2.gz QGDZAFYGCNOAFZ-HYARGMPZSA-N 1 2 525.049 5.564 40 10 KKCBLO CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000409016349 1071668293 /nfs/dbraw/zinc/66/82/93/1071668293.db2.gz RMUXCUIWSHEELT-GSASKQFNSA-N 1 2 620.750 5.548 40 10 KKCBLO CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)sc2=N1 ZINC000409014759 1071674866 /nfs/dbraw/zinc/67/48/66/1071674866.db2.gz JBSXSESOFKBXAO-HZHHUVPKSA-N 1 2 628.795 5.069 40 10 KKCBLO CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)n2c(=O)/c(=C\c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)sc2=N1 ZINC000409024405 1071712182 /nfs/dbraw/zinc/71/21/82/1071712182.db2.gz RYMDJTNAFXAABU-CXABMRDKSA-N 1 2 598.769 5.061 40 10 KKCBLO COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc([NH+](C)C)cc5)c4C)c(=O)n32)cc1 ZINC000409087926 1072304371 /nfs/dbraw/zinc/30/43/71/1072304371.db2.gz VAYTUPCESGGVQG-AZJUONQGSA-N 1 2 617.775 5.356 40 10 KKCBLO CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(C)n(-c3ccc([NH+](CC)CC)cc3)c2C)C1=O ZINC000409243317 1073092938 /nfs/dbraw/zinc/09/29/38/1073092938.db2.gz XLYVGIXSLZUFMF-HKOYGPOVSA-N 1 2 500.599 5.005 40 10 KKCBLO COc1ccc(CN2CCC[N@H+](Cc3ccc(OC)c(OC)c3)C2c2ccc(N(C)C)cc2)cc1OC ZINC000019325569 553612985 /nfs/dbraw/zinc/61/29/85/553612985.db2.gz JVFMLGUFPFJMGP-UHFFFAOYSA-N 1 2 505.659 5.194 40 10 KKCBLO COc1ccc(CN2CCC[N@@H+](Cc3ccc(OC)c(OC)c3)C2c2ccc(N(C)C)cc2)cc1OC ZINC000019325569 553612988 /nfs/dbraw/zinc/61/29/88/553612988.db2.gz JVFMLGUFPFJMGP-UHFFFAOYSA-N 1 2 505.659 5.194 40 10 KKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000223144683 571436072 /nfs/dbraw/zinc/43/60/72/571436072.db2.gz BSUDRKPMPQWONY-JWQCQUIFSA-N 1 2 530.525 5.101 40 10 KKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000223169992 571440012 /nfs/dbraw/zinc/44/00/12/571440012.db2.gz RITDHTBRRPGMJT-IZZNHLLZSA-N 1 2 543.659 5.203 40 10 KKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000223169933 571440020 /nfs/dbraw/zinc/44/00/20/571440020.db2.gz RITDHTBRRPGMJT-FTJBHMTQSA-N 1 2 543.659 5.203 40 10 KKCBLO COc1cc([C@@H](c2cc3c(cc2O)OCO3)N2CC[NH+]([C@@H](c3cc(OC)c(OC)c(OC)c3)c3cc4c(cc3O)OCO4)CC2)cc(OC)c1OC ZINC000150404968 571479148 /nfs/dbraw/zinc/47/91/48/571479148.db2.gz WAXKDOZZYGIANY-ZPGRZCPFSA-N 1 2 718.756 5.103 40 10 KKCBLO CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1 ZINC000223801293 571546666 /nfs/dbraw/zinc/54/66/66/571546666.db2.gz NAOJZJVDKOAUJV-VMPREFPWSA-N 1 2 511.695 6.131 40 10 KKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224466844 571552608 /nfs/dbraw/zinc/55/26/08/571552608.db2.gz ZQGALMHYPJGZRQ-SVBPBHIXSA-N 1 2 502.087 6.386 40 10 KKCBLO CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1 ZINC000223977483 571587486 /nfs/dbraw/zinc/58/74/86/571587486.db2.gz AYQULMSDNFJAED-FQLXRVMXSA-N 1 2 524.694 5.691 40 10 KKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224016861 571595933 /nfs/dbraw/zinc/59/59/33/571595933.db2.gz KLSRDIJKCHZTSJ-IZLXSDGUSA-N 1 2 511.651 5.461 40 10 KKCBLO COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1Cl ZINC000224056094 571603310 /nfs/dbraw/zinc/60/33/10/571603310.db2.gz TVRZMBFGJRFQBQ-XZWHSSHBSA-N 1 2 576.166 6.411 40 10 KKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224775859 571616004 /nfs/dbraw/zinc/61/60/04/571616004.db2.gz FSIROQRZXKAYRF-SAIUNTKASA-N 1 2 620.804 7.792 40 10 KKCBLO COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1Cl ZINC000224960772 571634074 /nfs/dbraw/zinc/63/40/74/571634074.db2.gz KVAGNJCOMVUTLO-VSGBNLITSA-N 1 2 532.113 6.394 40 10 KKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225132885 571650368 /nfs/dbraw/zinc/65/03/68/571650368.db2.gz SBKMGYQILOBKSB-KYJUHHDHSA-N 1 2 587.193 6.980 40 10 KKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225506746 571877600 /nfs/dbraw/zinc/87/76/00/571877600.db2.gz GKYFMHLARCEJEO-URLMMPGGSA-N 1 2 524.694 5.166 40 10 KKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225613405 571965072 /nfs/dbraw/zinc/96/50/72/571965072.db2.gz SLWZNZVEJJGSBW-KYJUHHDHSA-N 1 2 556.711 5.696 40 10 KKCBLO CC[NH+](CC)Cc1c(O)c2c3c4c(C)c(O)c2c(O)c1NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)C=CO[C@@](C)(O4)C3=O ZINC000263605115 572129482 /nfs/dbraw/zinc/12/94/82/572129482.db2.gz PHNHLMKMZYDVBQ-HHGFQFPTSA-N 1 2 782.928 5.596 40 10 KKCBLO Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1cc[nH+]cc1 ZINC000408954042 1070316609 /nfs/dbraw/zinc/31/66/09/1070316609.db2.gz RDEDMGPDOJJXCN-RWPZCVJISA-N 1 2 520.633 5.623 40 10 KKCBLO C[NH+](Cc1cc(C(C)(C)C)cc(Br)c1O)Cc1cc(C(C)(C)C)cc(Br)c1O ZINC000001681099 551689015 /nfs/dbraw/zinc/68/90/15/551689015.db2.gz PYYGJCYIQDJBDR-UHFFFAOYSA-N 1 2 513.314 6.850 40 10 in-vitro KKCBLO CCC(=O)Oc1ccc(C2N(Cc3ccc(N(C)C)cc3)CCC[N@@H+]2Cc2ccc(N(C)C)cc2)cc1 ZINC000019326958 553613447 /nfs/dbraw/zinc/61/34/47/553613447.db2.gz ZTHQUQSJIGMRAT-UHFFFAOYSA-N 1 2 500.687 5.541 40 10 KKCBLO CCC(=O)Oc1ccc(C2N(Cc3ccc(N(C)C)cc3)CCC[N@H+]2Cc2ccc(N(C)C)cc2)cc1 ZINC000019326958 553613448 /nfs/dbraw/zinc/61/34/48/553613448.db2.gz ZTHQUQSJIGMRAT-UHFFFAOYSA-N 1 2 500.687 5.541 40 10 KKCBLO COc1ccc([C@H](c2cc3c(cc2O)OCO3)N2CC[NH+]([C@H](c3ccc(OC)cc3OC)c3cc4c(cc3O)OCO4)CC2)c(OC)c1 ZINC000150405409 571479375 /nfs/dbraw/zinc/47/93/75/571479375.db2.gz MNYBEIKWMIRDJS-LQFQNGICSA-N 1 2 658.704 5.086 40 10 KKCBLO CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1 ZINC000223977380 571587426 /nfs/dbraw/zinc/58/74/26/571587426.db2.gz AYQULMSDNFJAED-WDYNHAJCSA-N 1 2 524.694 5.691 40 10 KKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224707474 571607160 /nfs/dbraw/zinc/60/71/60/571607160.db2.gz OTDXSDGGZLRKFM-NOCHOARKSA-N 1 2 573.766 7.833 40 10 KKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224775814 571615968 /nfs/dbraw/zinc/61/59/68/571615968.db2.gz FSIROQRZXKAYRF-CZNDPXEESA-N 1 2 620.804 7.792 40 10 KKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224775907 571616006 /nfs/dbraw/zinc/61/60/06/571616006.db2.gz FSIROQRZXKAYRF-JHOUSYSJSA-N 1 2 620.804 7.792 40 10 KKCBLO COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)c(OC)c1 ZINC000224808974 571619118 /nfs/dbraw/zinc/61/91/18/571619118.db2.gz JLPJMDNIZWOQLI-WDYNHAJCSA-N 1 2 527.694 5.749 40 10 KKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224871999 571625391 /nfs/dbraw/zinc/62/53/91/571625391.db2.gz YUBPWRKAUGHNHH-RRPNLBNLSA-N 1 2 518.086 6.091 40 10 KKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224931232 571631212 /nfs/dbraw/zinc/63/12/12/571631212.db2.gz NZVKUXLSXMSHGZ-VSGBNLITSA-N 1 2 560.565 6.803 40 10 KKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224989419 571636839 /nfs/dbraw/zinc/63/68/39/571636839.db2.gz HXFXKZXPTRSTKS-SAIUNTKASA-N 1 2 599.248 7.622 40 10 KKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225046290 571641822 /nfs/dbraw/zinc/64/18/22/571641822.db2.gz ITZLXAISAFQQMH-LOYHVIPDSA-N 1 2 524.738 6.030 40 10 KKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225075352 571644549 /nfs/dbraw/zinc/64/45/49/571644549.db2.gz RROSRKYGIGIANB-GPOMZPHUSA-N 1 2 616.791 6.750 40 10 KKCBLO CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1C ZINC000225160627 571653326 /nfs/dbraw/zinc/65/33/26/571653326.db2.gz LHLOSULIHOBJAF-FIRIVFDPSA-N 1 2 552.748 6.389 40 10 KKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225456305 571827916 /nfs/dbraw/zinc/82/79/16/571827916.db2.gz BIUPLBNGOZPFFL-FQLXRVMXSA-N 1 2 574.776 5.412 40 10 KKCBLO CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NS(C)(=O)=O)c3)c2C)cc1 ZINC000225482230 571852997 /nfs/dbraw/zinc/85/29/97/571852997.db2.gz PONMDPINQMOZHK-FIRIVFDPSA-N 1 2 618.829 5.893 40 10 KKCBLO