smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC4CSC4)cc2)N3)c1 ZINC000408998446 1070373070 /nfs/dbraw/zinc/37/30/70/1070373070.db2.gz ULSGTPMYDRRIAS-BXTSTYNKSA-N -1 3 520.676 5.817 40 10 KKCBHM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 ZINC000408994599 1071557959 /nfs/dbraw/zinc/55/79/59/1071557959.db2.gz ICUHVSKLHYFUQI-CLCZQPDDSA-N -1 3 558.647 6.827 40 10 KKCBHM O=C(OC1=C([O-])N(c2ccc(N=Nc3ccccc3)cc2)C(=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000409279889 1071778415 /nfs/dbraw/zinc/77/84/15/1071778415.db2.gz ADHXSHQRULQVPF-NEHDNDDISA-N -1 3 519.513 5.426 40 10 KKCBHM O=C(OC1=C([O-])N(c2ccc(N=Nc3ccccc3)cc2)C(=O)[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000409279889 1071778424 /nfs/dbraw/zinc/77/84/24/1071778424.db2.gz ADHXSHQRULQVPF-NEHDNDDISA-N -1 3 519.513 5.426 40 10 KKCBHM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc(Br)c1OCc1ccccn1 ZINC000409144883 1072532482 /nfs/dbraw/zinc/53/24/82/1072532482.db2.gz LPBPRDUYIWWRFD-CIAFOILYSA-N -1 3 604.935 5.940 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)c(Br)c3)SC2=S)c(Cl)c1 ZINC000409143558 1072541413 /nfs/dbraw/zinc/54/14/13/1072541413.db2.gz FUBHBLSFBVLPQP-WSDLNYQXSA-N -1 3 608.366 7.190 40 10 KKCBHM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409146428 1072581866 /nfs/dbraw/zinc/58/18/66/1072581866.db2.gz SUWFNJZSXZPBKQ-YDZHTSKRSA-N -1 3 662.971 6.843 40 10 KKCBHM COC(=O)c1cc(-c2ccc(/C=C3/SC(=S)N([N-]C(=O)c4ccc(C)cc4Cl)C3=O)o2)ccc1Cl ZINC000409149721 1072632981 /nfs/dbraw/zinc/63/29/81/1072632981.db2.gz OPCHJQMKNJAJOZ-RGVLZGJSSA-N -1 3 547.441 5.895 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3ccccc3OCc3cccc4ccccc43)SC2=S)c(Cl)c1 ZINC000409149695 1072635173 /nfs/dbraw/zinc/63/51/73/1072635173.db2.gz NTGUWNRKGKFFKQ-QQXSKIMKSA-N -1 3 545.085 6.927 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)cc3)SC2=S)c(Cl)c1 ZINC000409149389 1072637178 /nfs/dbraw/zinc/63/71/78/1072637178.db2.gz DWOQZJNQVNENPW-XKZIYDEJSA-N -1 3 513.015 5.913 40 10 KKCBHM COc1cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1[O-] ZINC000409370633 1072652452 /nfs/dbraw/zinc/65/24/52/1072652452.db2.gz CMLAUYZKTHVUBA-NSIKDUERSA-N -1 3 504.804 5.299 40 10 KKCBHM COc1cc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCc1ccc(F)cc1 ZINC000409162388 1072671578 /nfs/dbraw/zinc/67/15/78/1072671578.db2.gz VBPYZDQHPVCCNQ-QRVIBDJDSA-N -1 3 543.041 5.921 40 10 KKCBHM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409161306 1072677758 /nfs/dbraw/zinc/67/77/58/1072677758.db2.gz MWRWQRKGOPBLDE-YDZHTSKRSA-N -1 3 607.968 7.479 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3cc(Br)ccc3OCc3ccc(Cl)cc3)SC2=S)c(Cl)c1 ZINC000409159925 1072686573 /nfs/dbraw/zinc/68/65/73/1072686573.db2.gz BTHHSBVJYBIHRU-WSDLNYQXSA-N -1 3 608.366 7.190 40 10 KKCBHM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409205584 1072897554 /nfs/dbraw/zinc/89/75/54/1072897554.db2.gz QVPPARWKTMVRSP-FSJBWODESA-N -1 3 570.048 5.690 40 10 KKCBHM O=[N+]([O-])c1ccc(N2N=C(c3ccc4ccccc4c3[O-])C[C@H]2c2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000005838603 552510662 /nfs/dbraw/zinc/51/06/62/552510662.db2.gz XIPFDLFRGVWTDZ-QHCPKHFHSA-N -1 3 523.332 7.024 40 10 KKCBHM COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cc(Cl)ccc3[O-])C2=O)cc1OC ZINC000008819936 553154583 /nfs/dbraw/zinc/15/45/83/553154583.db2.gz XVIYLKPZQVABEK-BKUYFWCQSA-N -1 3 521.060 5.463 40 10 KKCBHM COC(=O)C=c1[n-]n(-c2ccc(OC)cc2)c(=O)c1=C(C)Nc1ccc(Nc2ccc(OC)cc2)cc1 ZINC000020287171 553632739 /nfs/dbraw/zinc/63/27/39/553632739.db2.gz CKMARQAVSQLRAV-IMRQLAEWSA-N -1 3 500.555 5.099 40 10 KKCBHM COc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)cc(I)c1[O-] ZINC000100319626 554304206 /nfs/dbraw/zinc/30/42/06/554304206.db2.gz IUAPTYJTFNGKRX-HYARGMPZSA-N -1 3 604.400 6.050 40 10 KKCBHM CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc(OC)c(OC)c(OC)c1)N2 ZINC000058846168 554365937 /nfs/dbraw/zinc/36/59/37/554365937.db2.gz RQPZSXKHFQATOA-PFPZSTESSA-N -1 3 520.651 5.902 40 10 KKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N3)c(C)c1 ZINC000058846216 554366117 /nfs/dbraw/zinc/36/61/17/554366117.db2.gz PKZLPXNEBWTJJN-UNVFRBQDSA-N -1 3 510.015 6.492 40 10 KKCBHM COc1cc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(C)cc(C)c4)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000058846712 554366468 /nfs/dbraw/zinc/36/64/68/554366468.db2.gz XBZATNGLFXMHRE-SXDGJLEOSA-N -1 3 520.651 5.957 40 10 KKCBHM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000058847472 554366748 /nfs/dbraw/zinc/36/67/48/554366748.db2.gz ZMBKJOUKSPYVIZ-SXDGJLEOSA-N -1 3 525.070 6.765 40 10 KKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)ccc4C)cc3[C@H]3C=CC[C@H]32)c(OC)c1 ZINC000058848151 554367341 /nfs/dbraw/zinc/36/73/41/554367341.db2.gz IMEILNULIMZOHL-ISCCLHIJSA-N -1 3 511.043 6.293 40 10 KKCBHM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC(C)C)cc1)N2 ZINC000058848086 554367459 /nfs/dbraw/zinc/36/74/59/554367459.db2.gz PHJNJBQNYRQGLT-VYKTZEHYSA-N -1 3 509.071 7.063 40 10 KKCBHM COc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4C)cc3[C@H]3C=CC[C@H]32)c1OC ZINC000058847943 554367490 /nfs/dbraw/zinc/36/74/90/554367490.db2.gz KJEVQJZQKCCMOG-ANSQWYIGSA-N -1 3 511.043 6.293 40 10 KKCBHM Cc1ccc(C)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(Br)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058848285 554367766 /nfs/dbraw/zinc/36/77/66/554367766.db2.gz VWPILWMOYXCHKQ-VRUMLPLGSA-N -1 3 509.469 6.693 40 10 KKCBHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(Cl)cccc2Cl)N3)cc1 ZINC000058848598 554367982 /nfs/dbraw/zinc/36/79/82/554367982.db2.gz XNKWRXQUWKFHMK-UNVFRBQDSA-N -1 3 515.462 7.019 40 10 KKCBHM Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)c(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058848423 554368006 /nfs/dbraw/zinc/36/80/06/554368006.db2.gz IASBVWKYEVERJS-WZOHSFFVSA-N -1 3 518.988 7.295 40 10 KKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Br)c2)N3)cc1 ZINC000058848460 554368022 /nfs/dbraw/zinc/36/80/22/554368022.db2.gz QZGOVFKTBIHRIJ-SGIRGMQISA-N -1 3 511.441 6.085 40 10 KKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC)c([N+](=O)[O-])c2)N3)cc1 ZINC000058848526 554368140 /nfs/dbraw/zinc/36/81/40/554368140.db2.gz PDNZIFGWYKCBMN-LZCXECNNSA-N -1 3 507.568 5.239 40 10 KKCBHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2Cl)N3)cc1 ZINC000058848593 554368163 /nfs/dbraw/zinc/36/81/63/554368163.db2.gz FYCQRXNBYRDJDO-UZINWLIJSA-N -1 3 515.462 7.019 40 10 KKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(OC)c2OC)N3)cc1OC ZINC000058849551 554369042 /nfs/dbraw/zinc/36/90/42/554369042.db2.gz QTBAVQYQOFOTBH-VKIDHGPPSA-N -1 3 522.623 5.348 40 10 KKCBHM COc1ccc(-c2[n-]n(-c3ccc([N+](=O)[O-])cc3)c(=O)c2C(C)=Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000020289173 571360598 /nfs/dbraw/zinc/36/05/98/571360598.db2.gz ANAWBRAWBYCQHA-RRAHZORUSA-N -1 3 520.545 6.533 40 10 KKCBHM COc1ccc(Br)cc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2[C@H]2C=CC[C@H]21 ZINC000104645917 571381739 /nfs/dbraw/zinc/38/17/39/571381739.db2.gz IFMIVDWIGIUVCM-ISCCLHIJSA-N -1 3 539.495 6.702 40 10 KKCBHM Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)N2 ZINC000104645566 571381790 /nfs/dbraw/zinc/38/17/90/571381790.db2.gz FWGIVWBXENDXMB-YUXUKGBOSA-N -1 3 567.667 7.110 40 10 KKCBHM O=S(=O)([N-]c1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 ZINC000104645488 571381799 /nfs/dbraw/zinc/38/17/99/571381799.db2.gz VUKWUSNBIOATGY-ATLLOTDBSA-N -1 3 525.424 5.805 40 10 KKCBHM COc1ccc(Br)cc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2[C@H]2C=CC[C@H]21 ZINC000104645830 571381863 /nfs/dbraw/zinc/38/18/63/571381863.db2.gz MCOONBZYPCGQST-ISCCLHIJSA-N -1 3 539.495 6.702 40 10 KKCBHM COc1ccc(Br)cc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2[C@H]2C=CC[C@H]21 ZINC000104646536 571382008 /nfs/dbraw/zinc/38/20/08/571382008.db2.gz LWZNTXSFVDHQBC-DFIYOIEZSA-N -1 3 529.431 6.224 40 10 KKCBHM O=[N+]([O-])c1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104647464 571382141 /nfs/dbraw/zinc/38/21/41/571382141.db2.gz CVYWPZIJAXLPFR-YZUZCNPQSA-N -1 3 516.406 6.529 40 10 KKCBHM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2 ZINC000104647411 571382174 /nfs/dbraw/zinc/38/21/74/571382174.db2.gz SQWXNPBMYPYHDJ-RHGYRFJNSA-N -1 3 540.299 7.928 40 10 KKCBHM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 ZINC000104647514 571382204 /nfs/dbraw/zinc/38/22/04/571382204.db2.gz QJXCGMZDJZEGRJ-ATLLOTDBSA-N -1 3 594.314 7.112 40 10 KKCBHM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000104647475 571382217 /nfs/dbraw/zinc/38/22/17/571382217.db2.gz LUBLONDCYSQFFH-GLDPYIMESA-N -1 3 539.406 7.640 40 10 KKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc1OC ZINC000104647432 571382244 /nfs/dbraw/zinc/38/22/44/571382244.db2.gz MLAUYQRYVVDPBR-LZCXECNNSA-N -1 3 531.461 6.638 40 10 KKCBHM O=S(=O)([N-]c1cccc(Br)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000104648003 571382249 /nfs/dbraw/zinc/38/22/49/571382249.db2.gz CDBBQKTXTGYWOJ-XLNZFTOWSA-N -1 3 550.305 7.383 40 10 KKCBHM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)ccc4C)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000104647849 571382336 /nfs/dbraw/zinc/38/23/36/571382336.db2.gz IGPIOMQLMIHSND-QFWOEDSFSA-N -1 3 539.097 7.073 40 10 KKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2Cl)N3)cc1Cl ZINC000104647881 571382356 /nfs/dbraw/zinc/38/23/56/571382356.db2.gz ANRFRROFXKMVII-CEYNDMKZSA-N -1 3 519.881 7.583 40 10 KKCBHM COc1cc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000104647948 571382377 /nfs/dbraw/zinc/38/23/77/571382377.db2.gz NYRSKRRIDPKVQB-FYQCMVGJSA-N -1 3 541.069 6.302 40 10 KKCBHM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2 ZINC000104647685 571382379 /nfs/dbraw/zinc/38/23/79/571382379.db2.gz FGTMMRYGVANFNA-ATLLOTDBSA-N -1 3 519.881 7.583 40 10 KKCBHM COc1ccc(Br)cc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2[C@H]2C=CC[C@H]21 ZINC000104647591 571382393 /nfs/dbraw/zinc/38/23/93/571382393.db2.gz MOCXNRFBQDKQMJ-ANSQWYIGSA-N -1 3 559.913 7.047 40 10 KKCBHM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000104648384 571382484 /nfs/dbraw/zinc/38/24/84/571382484.db2.gz GYZHERLVICRGIR-XLNZFTOWSA-N -1 3 539.406 7.640 40 10 KKCBHM O=S(=O)([N-]c1cccc(Br)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 ZINC000104648161 571382526 /nfs/dbraw/zinc/38/25/26/571382526.db2.gz KKMJMKNGFZQBNO-ATLLOTDBSA-N -1 3 604.320 6.568 40 10 KKCBHM CC(C)Oc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104648479 571382649 /nfs/dbraw/zinc/38/26/49/571382649.db2.gz MKPYPJOPXFOKJG-CLCZQPDDSA-N -1 3 528.596 7.120 40 10 KKCBHM O=[N+]([O-])c1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)c(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104648704 571382671 /nfs/dbraw/zinc/38/26/71/571382671.db2.gz FTVCANMPNFRURL-XLNZFTOWSA-N -1 3 549.958 6.894 40 10 KKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc(Br)ccc2OC)N3)cc1 ZINC000104648807 571382776 /nfs/dbraw/zinc/38/27/76/571382776.db2.gz OJWLJYYEJGJYQZ-UZINWLIJSA-N -1 3 541.467 6.094 40 10 KKCBHM O=S(=O)([N-]c1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000104649205 571382837 /nfs/dbraw/zinc/38/28/37/571382837.db2.gz USDBZFQRMLJQLE-PVTPYKNESA-N -1 3 529.061 7.760 40 10 KKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC)c([N+](=O)[O-])c2)N3)cc1OC ZINC000104649720 571382935 /nfs/dbraw/zinc/38/29/35/571382935.db2.gz CDDZPDRYRFMFGA-ASHZAFPQSA-N -1 3 537.594 5.248 40 10 KKCBHM O=S(=O)([N-]c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Br)N2 ZINC000104650374 571383265 /nfs/dbraw/zinc/38/32/65/571383265.db2.gz IHAWJJNUEDCLPY-FVXXUCQHSA-N -1 3 557.513 7.743 40 10 KKCBHM O=[N+]([O-])c1ccc(COc2ccc([C@H]3Nc4ccc(S(=O)(=O)[N-]c5ccc(Cl)c(C(F)(F)F)c5)cc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000164473111 571548917 /nfs/dbraw/zinc/54/89/17/571548917.db2.gz AGDNYJVNYQGRGL-ADRXYBOHSA-N -1 3 656.082 8.473 40 10 KKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224592272 571582161 /nfs/dbraw/zinc/58/21/61/571582161.db2.gz NAXGIVDKUILUNI-RPBOFIJWSA-N -1 3 508.569 6.391 40 10 KKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccccc1Br ZINC000224603775 571584594 /nfs/dbraw/zinc/58/45/94/571584594.db2.gz JAUZLBJBODOYSL-DQEYMECFSA-N -1 3 519.468 6.134 40 10 KKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cccc(Cl)c1Cl ZINC000224606272 571585134 /nfs/dbraw/zinc/58/51/34/571585134.db2.gz SRIOLSVZWUILHZ-LOSJGSFVSA-N -1 3 509.462 6.679 40 10 KKCBHM COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c1C ZINC000224609283 571585787 /nfs/dbraw/zinc/58/57/87/571585787.db2.gz KVHIMXUMHIKXBD-UIOOFZCWSA-N -1 3 515.595 5.289 40 10 KKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224860414 571624075 /nfs/dbraw/zinc/62/40/75/571624075.db2.gz XWDLURNTTHMAJU-LOSJGSFVSA-N -1 3 543.014 7.044 40 10 KKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccc(N(C)C)cc1 ZINC000224871910 571625328 /nfs/dbraw/zinc/62/53/28/571625328.db2.gz YUBPWRKAUGHNHH-KAYWLYCHSA-N -1 3 518.086 6.091 40 10 KKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccc(N(C)C)cc1 ZINC000224872044 571625360 /nfs/dbraw/zinc/62/53/60/571625360.db2.gz YUBPWRKAUGHNHH-SVBPBHIXSA-N -1 3 518.086 6.091 40 10 KKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cc(C)ccc1C ZINC000224872926 571625510 /nfs/dbraw/zinc/62/55/10/571625510.db2.gz HQMPSNFAXFTYDT-SVBPBHIXSA-N -1 3 503.071 6.642 40 10 KKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1c(C)cc(C)cc1C ZINC000224873552 571625552 /nfs/dbraw/zinc/62/55/52/571625552.db2.gz QPYVFNCHJDYRGA-IAPPQJPRSA-N -1 3 517.098 6.951 40 10 KKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccc2c(c1)OCO2 ZINC000224873333 571625564 /nfs/dbraw/zinc/62/55/64/571625564.db2.gz DOKLPSPSMXGEGQ-CLJLJLNGSA-N -1 3 519.026 5.754 40 10 KKCBHM C[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260836901 571742329 /nfs/dbraw/zinc/74/23/29/571742329.db2.gz BEEIRSVBFVUAFT-LSDHHAIUSA-N -1 3 554.525 5.373 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)ccc1[N-]S(C)(=O)=O ZINC000260852506 571752936 /nfs/dbraw/zinc/75/29/36/571752936.db2.gz QPQKGLBOJAMLLO-KAYWLYCHSA-N -1 3 563.749 5.271 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C)c2C)ccc1[N-]S(C)(=O)=O ZINC000225424426 571790373 /nfs/dbraw/zinc/79/03/73/571790373.db2.gz YGVVXGKUSKWEER-IZLXSDGUSA-N -1 3 561.733 5.355 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225424718 571791020 /nfs/dbraw/zinc/79/10/20/571791020.db2.gz FCSXPISCVVNYPB-NSOVKSMOSA-N -1 3 561.733 5.355 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)ccc1[N-]S(C)(=O)=O ZINC000225425006 571791459 /nfs/dbraw/zinc/79/14/59/571791459.db2.gz OCNQWCVRGSREBY-KAYWLYCHSA-N -1 3 615.703 6.065 40 10 KKCBHM CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc([N-]S(C)(=O)=O)c(OC)c3)c2C)cc1 ZINC000225425358 571791528 /nfs/dbraw/zinc/79/15/28/571791528.db2.gz JSGGVERVHYLYNU-VMPREFPWSA-N -1 3 575.760 5.609 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Br)c2C)ccc1[N-]S(C)(=O)=O ZINC000225426559 571792843 /nfs/dbraw/zinc/79/28/43/571792843.db2.gz JUQJBSIPFIGCAX-KAYWLYCHSA-N -1 3 626.602 5.809 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225426891 571793606 /nfs/dbraw/zinc/79/36/06/571793606.db2.gz CLRLLRYBCQIJCA-KAYWLYCHSA-N -1 3 626.602 5.809 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)ccc1[N-]S(C)(=O)=O ZINC000225429142 571796451 /nfs/dbraw/zinc/79/64/51/571796451.db2.gz LWVSEYUMUUUXQH-RRPNLBNLSA-N -1 3 616.596 6.353 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)ccc1[N-]S(C)(=O)=O ZINC000225429333 571796981 /nfs/dbraw/zinc/79/69/81/571796981.db2.gz KNQSFOYQAJFIJL-URLMMPGGSA-N -1 3 575.760 5.663 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225429929 571797523 /nfs/dbraw/zinc/79/75/23/571797523.db2.gz KEOSFBZEJYAGDZ-FQLXRVMXSA-N -1 3 575.760 5.663 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)SC2=S)c(Cl)c1 ZINC000408530395 572171905 /nfs/dbraw/zinc/17/19/05/572171905.db2.gz KUGQCNDYOBJFNO-MOSHPQCFSA-N -1 3 517.116 6.495 40 10 KKCBHM Cc1[n-]n(-c2c(Cl)cc(Cl)cc2Cl)c(=O)c1C=Nc1cc2[nH]c(=O)[nH]c2cc1N1CCCCC1 ZINC000408532985 572181575 /nfs/dbraw/zinc/18/15/75/572181575.db2.gz NNXNZQISFHOHIK-KAMYIIQDSA-N -1 3 519.820 5.938 40 10 KKCBHM CCN(CC)c1cc2[nH]c(=O)[nH]c2cc1N=Cc1c(C)[n-]n(-c2ccc(Br)c(C)c2C)c1=O ZINC000408537035 572193462 /nfs/dbraw/zinc/19/34/62/572193462.db2.gz YVIVAKIVLDMDCL-VBKFSLOCSA-N -1 3 511.424 5.213 40 10 KKCBHM CCOc1cc(COc2ccc(Br)cc2/C=C2\SC([N-]C(C)=O)=NC2=O)ccc1OCc1ccccc1 ZINC000408540223 572204991 /nfs/dbraw/zinc/20/49/91/572204991.db2.gz OUCHDIUZEVAWLN-CVKSISIWSA-N -1 3 581.488 6.112 40 10 KKCBHM CCOc1cc(COc2ccc(/C=C3/SC([N-]C(C)=O)=NC3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408540437 572205771 /nfs/dbraw/zinc/20/57/71/572205771.db2.gz RUHAGASEJRIYHJ-JVWAILMASA-N -1 3 532.618 5.358 40 10 KKCBHM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC3CSC3)cc1)N2 ZINC000408997056 1070366849 /nfs/dbraw/zinc/36/68/49/1070366849.db2.gz QIABUWCRINMZLC-CLCZQPDDSA-N -1 3 525.095 6.462 40 10 KKCBHM Cc1ccc(Sc2ccc(/C=C3\SC(=S)N([N-]C(=O)c4ccc(C)cc4Cl)C3=O)o2)cc1 ZINC000409147287 1070565705 /nfs/dbraw/zinc/56/57/05/1070565705.db2.gz WCXWFYSYSAVWJG-UNOMPAQXSA-N -1 3 501.054 6.247 40 10 KKCBHM CCOc1cc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCC(C)C ZINC000409145344 1070573319 /nfs/dbraw/zinc/57/33/19/1070573319.db2.gz NUIYNYVWUHFZOW-MTJSOVHGSA-N -1 3 505.061 5.628 40 10 KKCBHM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409146217 1070573827 /nfs/dbraw/zinc/57/38/27/1070573827.db2.gz RJGDYDMEYVWAHY-WSDLNYQXSA-N -1 3 685.392 7.040 40 10 KKCBHM COc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc(Br)c1[O-] ZINC000409327116 1070827529 /nfs/dbraw/zinc/82/75/29/1070827529.db2.gz IDWDTCOEUFNEGF-MKMNVTDBSA-N -1 3 535.666 5.985 40 10 KKCBHM CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc(Br)c1[O-] ZINC000409352664 1070871079 /nfs/dbraw/zinc/87/10/79/1070871079.db2.gz XTAVIIDWUADJKE-OQLLNIDSSA-N -1 3 515.248 5.722 40 10 KKCBHM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC3CSC3)cc1)N2 ZINC000408994124 1071559986 /nfs/dbraw/zinc/55/99/86/1071559986.db2.gz GIEBUYHNNRESIR-SXDGJLEOSA-N -1 3 539.122 6.770 40 10 KKCBHM O=S(=O)([N-]c1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 ZINC000408992763 1071569591 /nfs/dbraw/zinc/56/95/91/1071569591.db2.gz BRKOQCAIUCNMKO-OREGWCPLSA-N -1 3 593.092 7.480 40 10 KKCBHM Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 ZINC000409000828 1071647567 /nfs/dbraw/zinc/64/75/67/1071647567.db2.gz NFSVHEKGTDKUIT-VYKTZEHYSA-N -1 3 504.677 6.117 40 10 KKCBHM O=C1/C(=C\c2ccc([O-])c(I)c2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409333778 1072351535 /nfs/dbraw/zinc/35/15/35/1072351535.db2.gz VVCCJEVUPDNYDX-MKMNVTDBSA-N -1 3 508.189 5.709 40 10 KKCBHM CCOc1ccc(Br)cc1/C=C1/SC(=S)N([N-]C(=O)c2ccc(C)cc2Cl)C1=O ZINC000409346898 1072412428 /nfs/dbraw/zinc/41/24/28/1072412428.db2.gz OTSJWQTXSDFIJZ-LICLKQGHSA-N -1 3 511.850 5.356 40 10 KKCBHM CCOc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc1OC ZINC000409142970 1072544994 /nfs/dbraw/zinc/54/49/94/1072544994.db2.gz SLGLMNVBRNKHKF-MFKUBSTISA-N -1 3 612.129 5.619 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccccc3OCc3ccccc3F)SC2=S)c(Cl)c1 ZINC000409142773 1072545468 /nfs/dbraw/zinc/54/54/68/1072545468.db2.gz BVPOEPKUKYOWLY-LPYMAVHISA-N -1 3 513.015 5.913 40 10 KKCBHM COc1cc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000409142689 1072546733 /nfs/dbraw/zinc/54/67/33/1072546733.db2.gz CUZZLDLTQJASLK-QRVIBDJDSA-N -1 3 603.947 6.545 40 10 KKCBHM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCc1ccccc1Cl ZINC000409142056 1072550103 /nfs/dbraw/zinc/55/01/03/1072550103.db2.gz ATMCWXYTYCIEND-YDZHTSKRSA-N -1 3 559.496 6.436 40 10 KKCBHM CCOc1cc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)c(Br)cc1O ZINC000409140206 1072560965 /nfs/dbraw/zinc/56/09/65/1072560965.db2.gz GFVVWWWYXGRDIF-IUXPMGMMSA-N -1 3 527.849 5.061 40 10 KKCBHM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409145131 1072589245 /nfs/dbraw/zinc/58/92/45/1072589245.db2.gz MSGVLWWBVUNHBJ-CVKSISIWSA-N -1 3 610.157 6.228 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)SC2=S)c(Cl)c1 ZINC000409149968 1072632543 /nfs/dbraw/zinc/63/25/43/1072632543.db2.gz WQTMRAVFBWCILK-WQRHYEAKSA-N -1 3 521.472 6.592 40 10 KKCBHM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409149693 1072635084 /nfs/dbraw/zinc/63/50/84/1072635084.db2.gz NOFKYGISCVMVID-ZMOGYAJESA-N -1 3 616.548 6.264 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3cccc(OCc4c(F)cccc4Cl)c3)SC2=S)c(Cl)c1 ZINC000409149452 1072635635 /nfs/dbraw/zinc/63/56/35/1072635635.db2.gz GMMRFFZBMBJWPU-WSDLNYQXSA-N -1 3 547.460 6.566 40 10 KKCBHM CCCOc1c(Br)cc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc1OCC ZINC000409149537 1072636086 /nfs/dbraw/zinc/63/60/86/1072636086.db2.gz JEIHLUHVQTZQFR-UNOMPAQXSA-N -1 3 569.930 6.145 40 10 KKCBHM COc1ccc(-c2ccc(/C=C3/SC(=S)N([N-]C(=O)c4ccc(C)cc4Cl)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409149546 1072636594 /nfs/dbraw/zinc/63/65/94/1072636594.db2.gz JLRSXESZMQFOPN-RGVLZGJSSA-N -1 3 529.983 5.371 40 10 KKCBHM CCOc1c(I)cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc1OC ZINC000409147674 1072646942 /nfs/dbraw/zinc/64/69/42/1072646942.db2.gz ZHTGIGWSTUPCAL-LICLKQGHSA-N -1 3 588.876 5.207 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3cccc(OCc4ccc(F)cc4)c3)SC2=S)c(Cl)c1 ZINC000409147471 1072649539 /nfs/dbraw/zinc/64/95/39/1072649539.db2.gz YYMBFYMATXYCCY-LPYMAVHISA-N -1 3 513.015 5.913 40 10 KKCBHM O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C/c2ccc([O-])c(I)c2)SC1=S ZINC000409370795 1072651880 /nfs/dbraw/zinc/65/18/80/1072651880.db2.gz DYLJBGHVBLIDMB-NSIKDUERSA-N -1 3 566.229 5.242 40 10 KKCBHM CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N([N-]C(=O)c4ccc(C)cc4Cl)C3=O)o2)cc1 ZINC000409160280 1072684007 /nfs/dbraw/zinc/68/40/07/1072684007.db2.gz FUHBCUBUDNVHQX-FYJGNVAPSA-N -1 3 527.023 5.631 40 10 KKCBHM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)ccc2[O-])C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185956 1072765352 /nfs/dbraw/zinc/76/53/52/1072765352.db2.gz TWOSAEZYQKEJEC-LPNHJGGPSA-N -1 3 642.575 6.548 40 10 KKCBHM COc1ccc(-n2c(C)cc(/C=C3\SC(=S)N([N-]C(=O)c4ccc(C)cc4Cl)C3=O)c2C)cc1 ZINC000409197965 1072932855 /nfs/dbraw/zinc/93/28/55/1072932855.db2.gz STKZWNDJRQNFJF-XKZIYDEJSA-N -1 3 512.056 5.611 40 10 KKCBHM COc1ccc([C@@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c([O-])cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc1 ZINC001547208797 1073191760 /nfs/dbraw/zinc/19/17/60/1073191760.db2.gz QAKIZVPELFHIOQ-RBISFHTESA-N -1 3 631.722 5.880 40 10 KKCBHM CCOc1ccc(-n2c(=O)c(N=Nc3ccccc3Cl)c([O-])n(-c3ccc(Br)cc3)c2=S)cc1 ZINC000005639567 552505748 /nfs/dbraw/zinc/50/57/48/552505748.db2.gz VTXWFPZTURPBJI-BYYHNAKLSA-N -1 3 557.857 7.293 40 10 KKCBHM CCOc1ccc(-n2c([O-])c(N=Nc3ccccc3Cl)c(=O)n(-c3ccc(Br)cc3)c2=S)cc1 ZINC000005639567 552505751 /nfs/dbraw/zinc/50/57/51/552505751.db2.gz VTXWFPZTURPBJI-BYYHNAKLSA-N -1 3 557.857 7.293 40 10 KKCBHM O=C(NC(=S)[N-]c1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014274754 553507711 /nfs/dbraw/zinc/50/77/11/553507711.db2.gz RYUYHZLTGLILHX-UHFFFAOYSA-N -1 3 508.987 5.206 40 10 KKCBHM COc1cc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(C)c4)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000016312552 553560001 /nfs/dbraw/zinc/56/00/01/553560001.db2.gz XKHUQBHEJQWHAM-SXDGJLEOSA-N -1 3 520.651 5.957 40 10 KKCBHM Cc1cc(CN(Cc2nc3ccccc3[nH]2)Cc2nc3ccccc3[nH]2)c([O-])c(CN(Cc2nc3ccccc3[nH]2)Cc2ccccc2)c1 ZINC000082190186 553675855 /nfs/dbraw/zinc/67/58/55/553675855.db2.gz YOAVTOZKRIFUPD-UHFFFAOYSA-N -1 3 646.799 7.734 40 10 KKCBHM CCOc1cc(/C=C2\SC([N-]C(C)=O)=NC2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000097960814 553873671 /nfs/dbraw/zinc/87/36/71/553873671.db2.gz UNFWEFYJNWUJNW-XKZIYDEJSA-N -1 3 525.424 5.686 40 10 KKCBHM CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000058846098 554365958 /nfs/dbraw/zinc/36/59/58/554365958.db2.gz DNABRIQNSXJPRW-VVZHRXSXSA-N -1 3 509.469 6.639 40 10 KKCBHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2 ZINC000058846434 554366056 /nfs/dbraw/zinc/36/60/56/554366056.db2.gz VMCLWWPKGUMDER-UNVFRBQDSA-N -1 3 510.015 6.492 40 10 KKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Br)cc2)N3)c(C)c1 ZINC000058846225 554366079 /nfs/dbraw/zinc/36/60/79/554366079.db2.gz PEYKCRHWPAMRJY-VVZHRXSXSA-N -1 3 509.469 6.693 40 10 KKCBHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Br)cc2)N3)c1 ZINC000058846341 554366132 /nfs/dbraw/zinc/36/61/32/554366132.db2.gz XMXYPKRRMFTCKR-VVZHRXSXSA-N -1 3 509.469 6.693 40 10 KKCBHM Cc1ccc(C)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(-c5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058846896 554366424 /nfs/dbraw/zinc/36/64/24/554366424.db2.gz XMOXLBUNNIPSHB-NGKQEFFVSA-N -1 3 506.671 7.598 40 10 KKCBHM COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C(C)C)cc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058846821 554366413 /nfs/dbraw/zinc/36/64/13/554366413.db2.gz FQVKHZYMUZFZMB-IRYADYCUSA-N -1 3 504.652 6.455 40 10 KKCBHM O=S(=O)([N-]c1cccc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000058847455 554366700 /nfs/dbraw/zinc/36/67/00/554366700.db2.gz ISVDXUJQJRKMDZ-GLDPYIMESA-N -1 3 504.961 6.986 40 10 KKCBHM O=S(=O)([N-]c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000058846909 554366722 /nfs/dbraw/zinc/36/67/22/554366722.db2.gz TUCHEWLBYHRPEY-PVTPYKNESA-N -1 3 513.062 7.634 40 10 KKCBHM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000058847531 554366733 /nfs/dbraw/zinc/36/67/33/554366733.db2.gz IJJBBPJUIOMJAY-YZUZCNPQSA-N -1 3 515.860 6.730 40 10 KKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000058847467 554366767 /nfs/dbraw/zinc/36/67/67/554366767.db2.gz CEJSCSRABODZLW-WZOHSFFVSA-N -1 3 511.987 5.884 40 10 KKCBHM COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4C)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058847929 554367281 /nfs/dbraw/zinc/36/72/81/554367281.db2.gz KMDHIXNOHKOFNR-VKIDHGPPSA-N -1 3 511.043 6.293 40 10 KKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC(C)C)cc2)N3)cc1Cl ZINC000058848263 554367631 /nfs/dbraw/zinc/36/76/31/554367631.db2.gz RQTAEWVUBZPZAE-VYKTZEHYSA-N -1 3 509.071 7.063 40 10 KKCBHM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000058848375 554367701 /nfs/dbraw/zinc/36/77/01/554367701.db2.gz PUZNUKFVOCXMCT-YZUZCNPQSA-N -1 3 504.961 6.986 40 10 KKCBHM O=[N+]([O-])c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058848404 554367952 /nfs/dbraw/zinc/36/79/52/554367952.db2.gz MHNYVJLOJZOKTR-YZUZCNPQSA-N -1 3 515.513 6.241 40 10 KKCBHM O=S(=O)([N-]c1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 ZINC000058848419 554368106 /nfs/dbraw/zinc/36/81/06/554368106.db2.gz FLFYCYGNYPDSJD-XLNZFTOWSA-N -1 3 504.961 6.986 40 10 KKCBHM COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Br)c2)N3)c1 ZINC000058848739 554368257 /nfs/dbraw/zinc/36/82/57/554368257.db2.gz VUUQORZDGOPHOW-SGIRGMQISA-N -1 3 511.441 6.085 40 10 KKCBHM COc1c(C)cc(Br)cc1C(=O)NC(=S)[N-]c1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000059331500 554388781 /nfs/dbraw/zinc/38/87/81/554388781.db2.gz FHCDXGMJPPHEGX-UHFFFAOYSA-N -1 3 517.832 5.777 40 10 KKCBHM Cc1c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C)cc3/N=N/c3ccc(C)cc3)ccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000102938403 555166670 /nfs/dbraw/zinc/16/66/70/555166670.db2.gz QCKOINKUDFMPMG-ULDVOPSXSA-N -1 3 629.142 7.223 40 10 KKCBHM CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 ZINC000104645771 571381765 /nfs/dbraw/zinc/38/17/65/571381765.db2.gz KVOJLBHGCMWPSD-CUMRGQLISA-N -1 3 553.478 6.368 40 10 KKCBHM Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 ZINC000104645555 571381861 /nfs/dbraw/zinc/38/18/61/571381861.db2.gz OPYXNDPWMXEMDR-DFXHWTJYSA-N -1 3 539.451 6.114 40 10 KKCBHM COc1ccc(Br)cc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2[C@H]2C=CC[C@H]21 ZINC000104646748 571381895 /nfs/dbraw/zinc/38/18/95/571381895.db2.gz CNCDDRCZJOZDBF-DFIYOIEZSA-N -1 3 545.886 6.738 40 10 KKCBHM O=S(=O)([N-]c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000104646222 571381903 /nfs/dbraw/zinc/38/19/03/571381903.db2.gz QXTWZRNZPIPGMV-FVXXUCQHSA-N -1 3 547.507 8.288 40 10 KKCBHM O=S(=O)([N-]c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)OCO3)N2 ZINC000104646357 571381923 /nfs/dbraw/zinc/38/19/23/571381923.db2.gz KHKPOSYJDYAXMC-ADRXYBOHSA-N -1 3 522.626 6.710 40 10 KKCBHM COc1cc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000104646737 571381971 /nfs/dbraw/zinc/38/19/71/571381971.db2.gz FAYWRLWZAONRFH-LZCXECNNSA-N -1 3 527.042 5.993 40 10 KKCBHM O=S(=O)([N-]c1cccc(Br)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000104648011 571382272 /nfs/dbraw/zinc/38/22/72/571382272.db2.gz WOKNTKUJVLWXOK-GLDPYIMESA-N -1 3 550.305 7.383 40 10 KKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc4c(cc2Br)OCO4)N3)cc1Cl ZINC000104647973 571382290 /nfs/dbraw/zinc/38/22/90/571382290.db2.gz DQYNCFJCVSXBLQ-DFXHWTJYSA-N -1 3 573.896 6.767 40 10 KKCBHM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000104647672 571382310 /nfs/dbraw/zinc/38/23/10/571382310.db2.gz NWKRUVUODLGTPA-BPYKYCOYSA-N -1 3 529.887 7.038 40 10 KKCBHM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4C)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000104647730 571382387 /nfs/dbraw/zinc/38/23/87/571382387.db2.gz JVVNOBFFJSZNQH-QFWOEDSFSA-N -1 3 539.097 7.073 40 10 KKCBHM COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Br)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104648286 571382429 /nfs/dbraw/zinc/38/24/29/571382429.db2.gz KQBCZPGZUFKLOO-SGIRGMQISA-N -1 3 539.451 5.863 40 10 KKCBHM COc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(Br)c4)cc3[C@H]3C=CC[C@H]32)c1OC ZINC000104648074 571382496 /nfs/dbraw/zinc/38/24/96/571382496.db2.gz LCKGOMWWJUKYNM-DFIYOIEZSA-N -1 3 541.467 6.094 40 10 KKCBHM O=S(=O)([N-]c1ccc(Br)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000104648203 571382532 /nfs/dbraw/zinc/38/25/32/571382532.db2.gz NFRPHADYCKOOFB-GLDPYIMESA-N -1 3 550.305 7.383 40 10 KKCBHM O=[N+]([O-])c1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Br)cc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104648302 571382536 /nfs/dbraw/zinc/38/25/36/571382536.db2.gz SVBCTRVNZMOECO-YZUZCNPQSA-N -1 3 526.412 5.985 40 10 KKCBHM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000104648394 571382546 /nfs/dbraw/zinc/38/25/46/571382546.db2.gz MSMCPHMIOOJWHQ-GLDPYIMESA-N -1 3 539.406 7.640 40 10 KKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000104648497 571382607 /nfs/dbraw/zinc/38/26/07/571382607.db2.gz PXFPCURXRYAMCV-WZOHSFFVSA-N -1 3 545.539 6.250 40 10 KKCBHM Cc1ccc(C)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)c(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104648537 571382665 /nfs/dbraw/zinc/38/26/65/571382665.db2.gz RHNQZCFALOHKRW-UNVFRBQDSA-N -1 3 533.015 7.603 40 10 KKCBHM O=S(=O)([N-]c1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000104649257 571382780 /nfs/dbraw/zinc/38/27/80/571382780.db2.gz PDPZMSLIIPJDBY-PVTPYKNESA-N -1 3 573.512 7.869 40 10 KKCBHM COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OCc4ccc([N+](=O)[O-])cc4)cc2)N3)c1 ZINC000104648973 571382782 /nfs/dbraw/zinc/38/27/82/571382782.db2.gz DZIPJEWZCALXPN-NPLMNSEMSA-N -1 3 583.666 6.810 40 10 KKCBHM COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Oc5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104649296 571382788 /nfs/dbraw/zinc/38/27/88/571382788.db2.gz LHDSEFDMKPPKHH-XKVZAPNPSA-N -1 3 554.668 7.123 40 10 KKCBHM Cc1ccc(C)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Oc5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104649181 571382833 /nfs/dbraw/zinc/38/28/33/571382833.db2.gz PQKNUXRYSAORMA-NGKQEFFVSA-N -1 3 522.670 7.723 40 10 KKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Br)N3)cc1Cl ZINC000104650469 571383317 /nfs/dbraw/zinc/38/33/17/571383317.db2.gz RUJLUXUAVFCFPM-CEYNDMKZSA-N -1 3 529.887 7.038 40 10 KKCBHM O=S(=O)([N-]c1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(F)cccc1Cl)N2 ZINC000104650557 571383335 /nfs/dbraw/zinc/38/33/35/571383335.db2.gz JSERPDOMKNRQJI-BBANNHEPSA-N -1 3 547.051 7.899 40 10 KKCBHM O=C(NC(=S)[N-]c1ccc(Cl)cc1C(=O)c1ccccc1)c1cccc2c(Br)cccc12 ZINC000105304476 571393264 /nfs/dbraw/zinc/39/32/64/571393264.db2.gz RGKDLEBTGQDSNP-UHFFFAOYSA-N -1 3 523.839 6.614 40 10 KKCBHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(OC4CSC4)c2)N3)c1 ZINC000111478850 571433383 /nfs/dbraw/zinc/43/33/83/571433383.db2.gz LUPUOIAGJQUESW-BOCWGRARSA-N -1 3 518.704 6.425 40 10 KKCBHM O=S(=O)([N-]c1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 ZINC000164472969 571548607 /nfs/dbraw/zinc/54/86/07/571548607.db2.gz AJUFJOWBJOMQND-RVFQGNMQSA-N -1 3 627.866 7.477 40 10 KKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cccc(Br)c1 ZINC000224603846 571584597 /nfs/dbraw/zinc/58/45/97/571584597.db2.gz PEZPUAFHUZCFDF-JWQCQUIFSA-N -1 3 519.468 6.134 40 10 KKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224860594 571624083 /nfs/dbraw/zinc/62/40/83/571624083.db2.gz SACHDKGNUFBSCG-URLMMPGGSA-N -1 3 560.123 5.862 40 10 KKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cccc(Cl)c1 ZINC000224869809 571625035 /nfs/dbraw/zinc/62/50/35/571625035.db2.gz DICFWYIWFLWFDN-LOSJGSFVSA-N -1 3 509.462 6.679 40 10 KKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccccc1Cl ZINC000224869587 571625082 /nfs/dbraw/zinc/62/50/82/571625082.db2.gz CYVMKNKDXVFBRO-RPBOFIJWSA-N -1 3 509.462 6.679 40 10 KKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccccc1Br ZINC000224870145 571625104 /nfs/dbraw/zinc/62/51/04/571625104.db2.gz MGOROHANWDFINJ-RPBOFIJWSA-N -1 3 553.913 6.788 40 10 KKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cccc(Br)c1 ZINC000224870366 571625142 /nfs/dbraw/zinc/62/51/42/571625142.db2.gz NPRZTTBCUWLFKX-LOSJGSFVSA-N -1 3 553.913 6.788 40 10 KKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccc(Br)cc1 ZINC000224870509 571625195 /nfs/dbraw/zinc/62/51/95/571625195.db2.gz PPFQTRJCCBPBLG-RPBOFIJWSA-N -1 3 553.913 6.788 40 10 KKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cccc(Cl)c1Cl ZINC000224872272 571625381 /nfs/dbraw/zinc/62/53/81/571625381.db2.gz LIAXYFPOJVVTEH-JWQCQUIFSA-N -1 3 543.907 7.332 40 10 KKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cccc(C)c1C ZINC000224872658 571625432 /nfs/dbraw/zinc/62/54/32/571625432.db2.gz CXLAJROPSHBYPJ-SXOMAYOGSA-N -1 3 503.071 6.642 40 10 KKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1c(C)cccc1C ZINC000224873058 571625483 /nfs/dbraw/zinc/62/54/83/571625483.db2.gz YOMUXASPZALCFV-AHKZPQOWSA-N -1 3 503.071 6.642 40 10 KKCBHM COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c1C ZINC000224874608 571625649 /nfs/dbraw/zinc/62/56/49/571625649.db2.gz LQUITENKAIZQHZ-FTJBHMTQSA-N -1 3 539.488 6.687 40 10 KKCBHM COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c1C ZINC000224886279 571626717 /nfs/dbraw/zinc/62/67/17/571626717.db2.gz LHULXARDKMHEDD-CLJLJLNGSA-N -1 3 533.053 5.812 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)ccc1[N-]S(C)(=O)=O ZINC000225421022 571788396 /nfs/dbraw/zinc/78/83/96/571788396.db2.gz YFJJSIFPEIXQFZ-KAYWLYCHSA-N -1 3 598.150 5.405 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225424618 571790962 /nfs/dbraw/zinc/79/09/62/571790962.db2.gz NAKFJGCBSSHFBG-WUFINQPMSA-N -1 3 561.733 5.355 40 10 KKCBHM CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc([N-]S(C)(=O)=O)c(OC)c3)c2C)cc1 ZINC000225425280 571791469 /nfs/dbraw/zinc/79/14/69/571791469.db2.gz JSGGVERVHYLYNU-WDYNHAJCSA-N -1 3 575.760 5.609 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225426392 571793048 /nfs/dbraw/zinc/79/30/48/571793048.db2.gz NKYQESCQRWAUOX-KAYWLYCHSA-N -1 3 582.151 5.700 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)ccc1[N-]S(C)(=O)=O ZINC000225428586 571795634 /nfs/dbraw/zinc/79/56/34/571795634.db2.gz LWVSEYUMUUUXQH-SVBPBHIXSA-N -1 3 616.596 6.353 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)ccc1[N-]S(C)(=O)=O ZINC000225429186 571796384 /nfs/dbraw/zinc/79/63/84/571796384.db2.gz LWVSEYUMUUUXQH-KAYWLYCHSA-N -1 3 616.596 6.353 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)ccc1[N-]S(C)(=O)=O ZINC000225429244 571796957 /nfs/dbraw/zinc/79/69/57/571796957.db2.gz KNQSFOYQAJFIJL-VMPREFPWSA-N -1 3 575.760 5.663 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)ccc1[N-]S(C)(=O)=O ZINC000225431305 571798953 /nfs/dbraw/zinc/79/89/53/571798953.db2.gz SMCJFULAOUJGQR-WUFINQPMSA-N -1 3 612.177 5.708 40 10 KKCBHM Cc1[n-]n(-c2ccc(Br)cc2C)c(=O)c1C=Nc1cc2[nH]c(=O)[nH]c2cc1N1CCN(c2ccccc2)CC1 ZINC000408526295 572157217 /nfs/dbraw/zinc/15/72/17/572157217.db2.gz BNYCQXSVTNTRLQ-XLNRJJMWSA-N -1 3 586.494 5.385 40 10 KKCBHM CCN(CC)c1cc2c(cc1N=Cc1c(C)[n-]n(-c3c(Cl)cc(Cl)cc3Cl)c1=O)n(C)c(=O)n2C ZINC000408533862 572184962 /nfs/dbraw/zinc/18/49/62/572184962.db2.gz PJBGDGGMDUDOMP-QINSGFPZSA-N -1 3 535.863 5.402 40 10 KKCBHM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c([O-])c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409182377 1069796851 /nfs/dbraw/zinc/79/68/51/1069796851.db2.gz KUHBLDPZXOMLCU-QICITKFESA-N -1 3 672.601 6.557 40 10 KKCBHM Cc1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)N([N-]C(=O)c4ccc(C)cc4Cl)C3=O)cc2)cc1 ZINC000409144405 1070572306 /nfs/dbraw/zinc/57/23/06/1070572306.db2.gz YGCLRVAGDILHIH-OEAKJJBVSA-N -1 3 552.077 5.521 40 10 KKCBHM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 ZINC000408996914 1071615992 /nfs/dbraw/zinc/61/59/92/1071615992.db2.gz FLJWUMMLQOQTCH-VYKTZEHYSA-N -1 3 539.122 6.770 40 10 KKCBHM CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N([N-]C(=O)c4ccc(C)cc4Cl)C3=O)cc2OC)cc1 ZINC000409329128 1072387924 /nfs/dbraw/zinc/38/79/24/1072387924.db2.gz CWFPVFRWSYPWBR-MYYYXRDXSA-N -1 3 596.130 5.783 40 10 KKCBHM CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc(Br)c1[O-] ZINC000409352886 1072525559 /nfs/dbraw/zinc/52/55/59/1072525559.db2.gz ZFNYAKUUZKPAJQ-VIZOYTHASA-N -1 3 549.693 6.375 40 10 KKCBHM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc(Br)c1OC ZINC000409142896 1072544109 /nfs/dbraw/zinc/54/41/09/1072544109.db2.gz DYCSWAJPSNGRDT-LICLKQGHSA-N -1 3 541.876 5.364 40 10 KKCBHM O=C1/C(=C/c2ccc([O-])c(I)c2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409350294 1072544958 /nfs/dbraw/zinc/54/49/58/1072544958.db2.gz XVMNAHDGKLCHJW-NSIKDUERSA-N -1 3 552.640 5.819 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3cccc(Oc4nc(Cl)ncc4F)c3)SC2=S)c(Cl)c1 ZINC000409141097 1072556298 /nfs/dbraw/zinc/55/62/98/1072556298.db2.gz IRMXCSMDDMTVHH-RQZCQDPDSA-N -1 3 535.409 5.569 40 10 KKCBHM COc1ccc(N2C(=O)/C(=C/c3ccc([O-])c(I)c3)SC2=S)cc1Cl ZINC000409348198 1072558655 /nfs/dbraw/zinc/55/86/55/1072558655.db2.gz RYMDRUJVRDXMQT-CHHVJCJISA-N -1 3 503.770 5.065 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccc(-c4cccc(Cl)c4Cl)o3)SC2=S)c(Cl)c1 ZINC000409139301 1072566175 /nfs/dbraw/zinc/56/61/75/1072566175.db2.gz CKIVPUYFIVLCEC-VCHYOVAHSA-N -1 3 523.850 6.761 40 10 KKCBHM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409149940 1072632521 /nfs/dbraw/zinc/63/25/21/1072632521.db2.gz WENXJNYOLMIRPO-YDZHTSKRSA-N -1 3 652.419 7.588 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])SC2=S)c(Cl)c1 ZINC000409149775 1072633561 /nfs/dbraw/zinc/63/35/61/1072633561.db2.gz QMYGDFZNSGIAHQ-SRZZPIQSSA-N -1 3 593.992 6.914 40 10 KKCBHM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc(Br)c1OCC ZINC000409149647 1072634499 /nfs/dbraw/zinc/63/44/99/1072634499.db2.gz MDKBFZSJLFMMJT-WOJGMQOQSA-N -1 3 555.903 5.755 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3cc(Br)c(OCc4ccc(Cl)cc4)c(Br)c3)SC2=S)c(Cl)c1 ZINC000409149281 1072636626 /nfs/dbraw/zinc/63/66/26/1072636626.db2.gz ALBPMSZXLOXHDE-SRZZPIQSSA-N -1 3 687.262 7.952 40 10 KKCBHM CCOc1cc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409162745 1072668003 /nfs/dbraw/zinc/66/80/03/1072668003.db2.gz ZPEGMEBUVOFHMZ-FSJBWODESA-N -1 3 615.045 6.202 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3cn(Cc4c(F)cccc4Cl)c4ccccc34)SC2=S)c(Cl)c1 ZINC000409160693 1072680925 /nfs/dbraw/zinc/68/09/25/1072680925.db2.gz IBHLKRFWPMWIDK-WYMPLXKRSA-N -1 3 570.498 6.990 40 10 KKCBHM COc1ccc([C@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c([O-])cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc1 ZINC001547208796 1073191340 /nfs/dbraw/zinc/19/13/40/1073191340.db2.gz QAKIZVPELFHIOQ-DWACAAAGSA-N -1 3 631.722 5.880 40 10 KKCBHM O=[N+]([O-])c1ccc(N2N=C(c3ccc4ccccc4c3[O-])C[C@@H]2c2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000073409625 553653933 /nfs/dbraw/zinc/65/39/33/553653933.db2.gz XIPFDLFRGVWTDZ-HSZRJFAPSA-N -1 3 523.332 7.024 40 10 KKCBHM CCOc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)cc(I)c1[O-] ZINC000100222826 554252047 /nfs/dbraw/zinc/25/20/47/554252047.db2.gz HEIYSFBGPAIXAK-HZHRSRAPSA-N -1 3 618.427 6.441 40 10 KKCBHM CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC)c([N+](=O)[O-])c1)N2 ZINC000058846183 554366108 /nfs/dbraw/zinc/36/61/08/554366108.db2.gz GIRABEJJVBKTDL-FYQCMVGJSA-N -1 3 505.596 5.793 40 10 KKCBHM CC(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)c(Cl)c2)N3)cc1 ZINC000058846776 554366477 /nfs/dbraw/zinc/36/64/77/554366477.db2.gz NFTSOHWSRUVAKD-OREGWCPLSA-N -1 3 513.490 7.744 40 10 KKCBHM CC(C)Oc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C(C)C)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058846861 554366517 /nfs/dbraw/zinc/36/65/17/554366517.db2.gz GYLNQSUAIHVHKY-PVTPYKNESA-N -1 3 502.680 7.225 40 10 KKCBHM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 ZINC000058847834 554367483 /nfs/dbraw/zinc/36/74/83/554367483.db2.gz KSVUCHGMFMSHCZ-GLDPYIMESA-N -1 3 505.854 7.274 40 10 KKCBHM COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3cccc(Br)c3)cc2[C@H]2C=CC[C@H]21 ZINC000058848307 554367625 /nfs/dbraw/zinc/36/76/25/554367625.db2.gz HWOJCZGBPQWHMY-DFIYOIEZSA-N -1 3 511.441 6.085 40 10 KKCBHM O=S(=O)([N-]c1cccc(Br)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000058848304 554367643 /nfs/dbraw/zinc/36/76/43/554367643.db2.gz DLMWJYBXFBEJJM-YZUZCNPQSA-N -1 3 515.860 6.730 40 10 KKCBHM COc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(Br)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058848312 554367650 /nfs/dbraw/zinc/36/76/50/554367650.db2.gz URAGLVFOBMNHBF-SGIRGMQISA-N -1 3 511.441 6.085 40 10 KKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Br)cc2)N3)cc1 ZINC000058848464 554368043 /nfs/dbraw/zinc/36/80/43/554368043.db2.gz LLHIBHRIBNLOMA-SGIRGMQISA-N -1 3 511.441 6.085 40 10 KKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2Cl)N3)cc1 ZINC000058848451 554368155 /nfs/dbraw/zinc/36/81/55/554368155.db2.gz MTZGKGHYHXSHQE-DFIYOIEZSA-N -1 3 501.435 6.629 40 10 KKCBHM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(OC)c4)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000058848863 554368348 /nfs/dbraw/zinc/36/83/48/554368348.db2.gz ODWCICDGQLBTME-CTVOUCONSA-N -1 3 520.651 6.120 40 10 KKCBHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC(C)C)cc2)N3)cc1 ZINC000058848661 554368370 /nfs/dbraw/zinc/36/83/70/554368370.db2.gz VWVZXZATHZJGDK-IWVFXYMLSA-N -1 3 504.652 6.500 40 10 KKCBHM Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Oc5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058849200 554368785 /nfs/dbraw/zinc/36/87/85/554368785.db2.gz QHVQMKVVYNZWAL-WTNLLYQRSA-N -1 3 508.643 7.415 40 10 KKCBHM CCOc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc(I)c1[O-] ZINC000103760356 555471082 /nfs/dbraw/zinc/47/10/82/555471082.db2.gz PXKCWIMEKGGFGH-UHFFFAOYSA-N -1 3 598.462 5.761 40 10 KKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OCc4ccc([N+](=O)[O-])cc4)cc2)N3)c(C)c1 ZINC000104645850 571381866 /nfs/dbraw/zinc/38/18/66/571381866.db2.gz DPDIZQIKQSBHNJ-FISMMAAMSA-N -1 3 581.694 7.418 40 10 KKCBHM CC(C)(C)c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(-c5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104646385 571381916 /nfs/dbraw/zinc/38/19/16/571381916.db2.gz IYLKJYHSIDXBCL-AARCXHMLSA-N -1 3 534.725 8.278 40 10 KKCBHM O=S(=O)([N-]c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 ZINC000104646376 571381983 /nfs/dbraw/zinc/38/19/83/571381983.db2.gz LLCIOCIFOIZQDB-JLELKNTQSA-N -1 3 601.522 7.472 40 10 KKCBHM COc1ccc(Br)cc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2[C@H]2C=CC[C@H]21 ZINC000104646834 571382063 /nfs/dbraw/zinc/38/20/63/571382063.db2.gz FRJVTXPNYRISBV-DFIYOIEZSA-N -1 3 545.886 6.738 40 10 KKCBHM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 ZINC000104646847 571382096 /nfs/dbraw/zinc/38/20/96/571382096.db2.gz IORISQUSDDFHND-ATLLOTDBSA-N -1 3 559.869 6.459 40 10 KKCBHM O=[N+]([O-])c1ccc(Cl)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104647393 571382223 /nfs/dbraw/zinc/38/22/23/571382223.db2.gz GWYUSVNMSOZKHL-GLDPYIMESA-N -1 3 550.851 7.182 40 10 KKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4C)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000104647598 571382283 /nfs/dbraw/zinc/38/22/83/571382283.db2.gz RSHADHBQFOIPCC-GNBJCERTSA-N -1 3 526.014 6.193 40 10 KKCBHM CC(C)Oc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Br)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104648323 571382433 /nfs/dbraw/zinc/38/24/33/571382433.db2.gz NSXWKONKRNEHQJ-CLCZQPDDSA-N -1 3 539.495 6.864 40 10 KKCBHM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Br)cc4)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000104648346 571382444 /nfs/dbraw/zinc/38/24/44/571382444.db2.gz SGMKOPYOWRAKCS-SXDGJLEOSA-N -1 3 569.521 6.874 40 10 KKCBHM O=[N+]([O-])c1ccc(Cl)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104648399 571382467 /nfs/dbraw/zinc/38/24/67/571382467.db2.gz SPAYHBOZVATTPE-GLDPYIMESA-N -1 3 549.958 6.894 40 10 KKCBHM COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(Br)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104648060 571382478 /nfs/dbraw/zinc/38/24/78/571382478.db2.gz QPGFLJCJLMLXFL-UZINWLIJSA-N -1 3 541.467 6.094 40 10 KKCBHM O=S(=O)([N-]c1ccc(Br)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 ZINC000104648352 571382510 /nfs/dbraw/zinc/38/25/10/571382510.db2.gz PEZMMUJJLJDZIW-ATLLOTDBSA-N -1 3 604.320 6.568 40 10 KKCBHM COc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Br)cc4)cc3[C@H]3C=CC[C@H]32)c1OC ZINC000104648272 571382516 /nfs/dbraw/zinc/38/25/16/571382516.db2.gz UUWIVZQPLRYHSI-DFIYOIEZSA-N -1 3 541.467 6.094 40 10 KKCBHM COc1ccc(Br)cc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2[C@H]2C=CC[C@H]21 ZINC000104648330 571382542 /nfs/dbraw/zinc/38/25/42/571382542.db2.gz YGSASBWAQHRCOI-DFIYOIEZSA-N -1 3 590.337 6.848 40 10 KKCBHM COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104648441 571382605 /nfs/dbraw/zinc/38/26/05/571382605.db2.gz ZPVZNNRPTMKQTD-UZINWLIJSA-N -1 3 530.568 6.350 40 10 KKCBHM O=S(=O)([N-]c1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000104648573 571382616 /nfs/dbraw/zinc/38/26/16/571382616.db2.gz YVURYPIDDPGIEN-XLNZFTOWSA-N -1 3 539.406 7.640 40 10 KKCBHM COc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)c(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)c1OC ZINC000104648675 571382628 /nfs/dbraw/zinc/38/26/28/571382628.db2.gz OJIFFTJRRKAVES-ATLLOTDBSA-N -1 3 565.013 7.003 40 10 KKCBHM O=S(=O)([N-]c1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000104649233 571382796 /nfs/dbraw/zinc/38/27/96/571382796.db2.gz OXRBDNKJHVUPFM-FVXXUCQHSA-N -1 3 563.506 8.413 40 10 KKCBHM O=S(=O)([N-]c1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 ZINC000104649194 571382803 /nfs/dbraw/zinc/38/28/03/571382803.db2.gz RJZQYCJFPJDWEH-FVXXUCQHSA-N -1 3 529.061 7.760 40 10 KKCBHM O=[N+]([O-])c1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Oc5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104649330 571382858 /nfs/dbraw/zinc/38/28/58/571382858.db2.gz IKDMNXVFZYJZBJ-PVTPYKNESA-N -1 3 539.613 7.014 40 10 KKCBHM O=S(=O)([N-]c1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 ZINC000104649393 571383027 /nfs/dbraw/zinc/38/30/27/571383027.db2.gz RQYOHVYWVABGTA-JLELKNTQSA-N -1 3 617.521 7.597 40 10 KKCBHM O=S(=O)([N-]c1cccc2ccccc21)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 ZINC000104650296 571383257 /nfs/dbraw/zinc/38/32/57/571383257.db2.gz UNMKYYDQAGFTDG-FONBTEPMSA-N -1 3 575.484 6.958 40 10 KKCBHM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000104650288 571383343 /nfs/dbraw/zinc/38/33/43/571383343.db2.gz OQWRUEOCXZOQJJ-NSTRGFCRSA-N -1 3 540.685 7.265 40 10 KKCBHM O=C(NC(=S)[N-]c1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000105304756 571393341 /nfs/dbraw/zinc/39/33/41/571393341.db2.gz WXZVFOKJCQOJRR-UHFFFAOYSA-N -1 3 529.832 7.265 40 10 KKCBHM COc1c(Br)c2ccccc2cc1C(=O)NC(=S)[N-]c1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000105308906 571395327 /nfs/dbraw/zinc/39/53/27/571395327.db2.gz PTEGTWPETLLZAW-UHFFFAOYSA-N -1 3 553.865 6.622 40 10 KKCBHM COc1cc(Br)c(Br)c(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)c1[O-] ZINC000113834374 571442751 /nfs/dbraw/zinc/44/27/51/571442751.db2.gz XSZIZQWZPVYHCV-AWNIVKPZSA-N -1 3 535.666 5.985 40 10 KKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccc(Cl)cc1Cl ZINC000224606447 571585226 /nfs/dbraw/zinc/58/52/26/571585226.db2.gz BOIKIONOXIKOQV-RPBOFIJWSA-N -1 3 509.462 6.679 40 10 KKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cccc2ccccc21 ZINC000224867241 571624792 /nfs/dbraw/zinc/62/47/92/571624792.db2.gz WIHMDYOWTPRGOV-FQLXRVMXSA-N -1 3 525.077 7.178 40 10 KKCBHM CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])c2C)cc1 ZINC000224868947 571624972 /nfs/dbraw/zinc/62/49/72/571624972.db2.gz KRHMJFVWLZJDDJ-SVBPBHIXSA-N -1 3 503.071 6.588 40 10 KKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccccc1Cl ZINC000224869621 571625046 /nfs/dbraw/zinc/62/50/46/571625046.db2.gz CYVMKNKDXVFBRO-LOSJGSFVSA-N -1 3 509.462 6.679 40 10 KKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccccc1Br ZINC000224870230 571625097 /nfs/dbraw/zinc/62/50/97/571625097.db2.gz MGOROHANWDFINJ-DQEYMECFSA-N -1 3 553.913 6.788 40 10 KKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cccc(Br)c1 ZINC000224870408 571625187 /nfs/dbraw/zinc/62/51/87/571625187.db2.gz NPRZTTBCUWLFKX-DQEYMECFSA-N -1 3 553.913 6.788 40 10 KKCBHM COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])c2C)c1 ZINC000224871142 571625252 /nfs/dbraw/zinc/62/52/52/571625252.db2.gz VJGQGVVHCFEPPK-UIOOFZCWSA-N -1 3 505.043 6.034 40 10 KKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cccc(Cl)c1Cl ZINC000224872310 571625335 /nfs/dbraw/zinc/62/53/35/571625335.db2.gz LIAXYFPOJVVTEH-RPBOFIJWSA-N -1 3 543.907 7.332 40 10 KKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccc2c(c1)OCO2 ZINC000224873374 571625516 /nfs/dbraw/zinc/62/55/16/571625516.db2.gz DOKLPSPSMXGEGQ-FTJBHMTQSA-N -1 3 519.026 5.754 40 10 KKCBHM COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c1C ZINC000224886316 571626745 /nfs/dbraw/zinc/62/67/45/571626745.db2.gz LHULXARDKMHEDD-FTJBHMTQSA-N -1 3 533.053 5.812 40 10 KKCBHM COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])c2C)cc1 ZINC000224886577 571626818 /nfs/dbraw/zinc/62/68/18/571626818.db2.gz CSXMITXEZHKMCD-UIOOFZCWSA-N -1 3 533.053 5.812 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(F)c3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225425619 571791843 /nfs/dbraw/zinc/79/18/43/571791843.db2.gz PWIPUORJFLBKHN-SXOMAYOGSA-N -1 3 565.696 5.185 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225425827 571792056 /nfs/dbraw/zinc/79/20/56/571792056.db2.gz BJQLHHHQQJJIDV-RRPNLBNLSA-N -1 3 565.696 5.185 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Cl)c2C)ccc1[N-]S(C)(=O)=O ZINC000225426003 571792353 /nfs/dbraw/zinc/79/23/53/571792353.db2.gz PYPLDPJSMDORSD-RRPNLBNLSA-N -1 3 582.151 5.700 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225426681 571792948 /nfs/dbraw/zinc/79/29/48/571792948.db2.gz ORVKOEKJMMVIFM-RRPNLBNLSA-N -1 3 626.602 5.809 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Br)c2C)ccc1[N-]S(C)(=O)=O ZINC000225426518 571793039 /nfs/dbraw/zinc/79/30/39/571793039.db2.gz JUQJBSIPFIGCAX-RRPNLBNLSA-N -1 3 626.602 5.809 40 10 KKCBHM COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc([N-]S(C)(=O)=O)c(OC)c3)c2C)cc1 ZINC000225427529 571793915 /nfs/dbraw/zinc/79/39/15/571793915.db2.gz YBDSGDRMWJZJJU-WUFINQPMSA-N -1 3 577.732 5.055 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)ccc1[N-]S(C)(=O)=O ZINC000225430343 571797948 /nfs/dbraw/zinc/79/79/48/571797948.db2.gz BFFDSSPEACIQDY-NSOVKSMOSA-N -1 3 596.178 6.008 40 10 KKCBHM CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])cc21 ZINC000260917904 571851043 /nfs/dbraw/zinc/85/10/43/571851043.db2.gz JVVQVHITVZZDRS-LOSJGSFVSA-N -1 3 525.505 6.903 40 10 KKCBHM 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 572128113 /nfs/dbraw/zinc/12/81/13/572128113.db2.gz HHBUXHGNFGUEFR-UELJENKASA-N -1 3 816.945 6.044 40 10 KKCBHM Cc1ccc(Sc2ccc(/C=C3\SC(=S)N([N-]C(=O)c4ccc(C)cc4Cl)C3=O)cc2)cc1 ZINC000408535085 572187773 /nfs/dbraw/zinc/18/77/73/572187773.db2.gz UNQRBXPYNFLVAM-HMAPJEAMSA-N -1 3 511.093 6.654 40 10 KKCBHM CCOc1cc(COc2c(Br)cc(/C=C3/SC([N-]C(C)=O)=NC3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408539260 572201401 /nfs/dbraw/zinc/20/14/01/572201401.db2.gz GJRMKTWGTBJAIE-JVWAILMASA-N -1 3 625.541 6.511 40 10 KKCBHM CCOc1cc(/C=C2/SC([N-]C(C)=O)=NC2=O)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408539476 572202511 /nfs/dbraw/zinc/20/25/11/572202511.db2.gz HYJBHQHDZBGRFJ-CVKSISIWSA-N -1 3 567.063 6.012 40 10 KKCBHM CCC[C@@H]1CC[C@@H]2[C@@H](O1)c1cc([O-])c(CN3CCN(C(=O)COc4ccc(Cl)cc4)CC3)cc1OC2(C)C ZINC000257326745 572318526 /nfs/dbraw/zinc/31/85/26/572318526.db2.gz WYLJYDZTBGCFGP-JUMFHWHPSA-N -1 3 543.104 5.576 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccc(OCC(=O)Nc4cc(C)c(C)cc4Br)cc3)SC2=S)c(Cl)c1 ZINC000409142021 1070565104 /nfs/dbraw/zinc/56/51/04/1070565104.db2.gz AHDUYBZPOBLBRK-ZMOGYAJESA-N -1 3 645.000 6.591 40 10 KKCBHM Cc1c(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)c2ccccc2n1Cc1ccccc1F ZINC000409344626 1070853127 /nfs/dbraw/zinc/85/31/27/1070853127.db2.gz HPUKAUSXWZAPHA-QFEZKATASA-N -1 3 550.080 6.645 40 10 KKCBHM COc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1[O-] ZINC000409368284 1070891354 /nfs/dbraw/zinc/89/13/54/1070891354.db2.gz RDUDHTHBARBXTM-MKMNVTDBSA-N -1 3 549.255 5.408 40 10 KKCBHM CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1[O-] ZINC000409326905 1072244072 /nfs/dbraw/zinc/24/40/72/1072244072.db2.gz GHNGDTSHPSZVRA-CHHVJCJISA-N -1 3 505.242 6.266 40 10 KKCBHM O=S(=O)([N-]c1cccc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC3CSC3)cc1)N2 ZINC000409333059 1072356834 /nfs/dbraw/zinc/35/68/34/1072356834.db2.gz BOWCJJKYRRNZSL-CLCZQPDDSA-N -1 3 525.095 6.462 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3cccc(OCc4ccccc4F)c3)SC2=S)c(Cl)c1 ZINC000409144657 1072533318 /nfs/dbraw/zinc/53/33/18/1072533318.db2.gz YYINFXYAXMTNAH-LPYMAVHISA-N -1 3 513.015 5.913 40 10 KKCBHM CCOc1c(Br)cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc1OC ZINC000409144508 1072533852 /nfs/dbraw/zinc/53/38/52/1072533852.db2.gz KDTKSLGTQITSEP-LICLKQGHSA-N -1 3 541.876 5.364 40 10 KKCBHM COc1cc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409144290 1072536600 /nfs/dbraw/zinc/53/66/00/1072536600.db2.gz JGWNKVYZNGRRKH-FMCGGJTJSA-N -1 3 634.113 5.188 40 10 KKCBHM CCOc1cc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409144273 1072536649 /nfs/dbraw/zinc/53/66/49/1072536649.db2.gz XRHKHLLTVKXDNB-FSJBWODESA-N -1 3 638.045 7.313 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3cc(Br)c(OCc4ccccc4Cl)c(Br)c3)SC2=S)c(Cl)c1 ZINC000409144161 1072537581 /nfs/dbraw/zinc/53/75/81/1072537581.db2.gz JDLGTELRGLTCRQ-SRZZPIQSSA-N -1 3 687.262 7.952 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3cc(Cl)ccc3OCc3cccc(Cl)c3)SC2=S)c(Cl)c1 ZINC000409143811 1072539022 /nfs/dbraw/zinc/53/90/22/1072539022.db2.gz IFFQYXGBARFWFY-WSDLNYQXSA-N -1 3 563.915 7.080 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)SC2=S)c(Cl)c1 ZINC000409143639 1072539951 /nfs/dbraw/zinc/53/99/51/1072539951.db2.gz GGHUVOQODBPZBF-UFFVCSGVSA-N -1 3 672.888 7.676 40 10 KKCBHM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc(I)c1OCc1ccccc1F ZINC000409143069 1072543209 /nfs/dbraw/zinc/54/32/09/1072543209.db2.gz UHOAWUMLBIONKU-WSDLNYQXSA-N -1 3 668.937 6.526 40 10 KKCBHM CCN(CC)c1ccc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409141469 1072553086 /nfs/dbraw/zinc/55/30/86/1072553086.db2.gz JXLADGLLKKXMOR-LGJNPRDNSA-N -1 3 635.038 7.927 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccccc3)SC2=S)c(Cl)c1 ZINC000409140627 1072558586 /nfs/dbraw/zinc/55/85/86/1072558586.db2.gz KYDXQJBJEQOSHM-XKZIYDEJSA-N -1 3 573.921 6.536 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccc(OCc4ccccc4Cl)cc3)SC2=S)c(Cl)c1 ZINC000409139638 1072563478 /nfs/dbraw/zinc/56/34/78/1072563478.db2.gz CBCJIIWPPGNYLR-LPYMAVHISA-N -1 3 529.470 6.427 40 10 KKCBHM Cc1cc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409146515 1072580486 /nfs/dbraw/zinc/58/04/86/1072580486.db2.gz UBNFGNZSSFBUHR-FBHDLOMBSA-N -1 3 550.920 6.909 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3ccc(OCc4ccc5ccccc5c4)cc3)SC2=S)c(Cl)c1 ZINC000409144897 1072589866 /nfs/dbraw/zinc/58/98/66/1072589866.db2.gz LPOUBUXPFGCKGL-QQXSKIMKSA-N -1 3 545.085 6.927 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4C)cc3)SC2=S)c(Cl)c1 ZINC000409162541 1072670607 /nfs/dbraw/zinc/67/06/07/1072670607.db2.gz WWUFYXIWPMXNJC-UCQKPKSFSA-N -1 3 552.077 5.521 40 10 KKCBHM COc1cc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCc1ccc(I)cc1 ZINC000409162185 1072672199 /nfs/dbraw/zinc/67/21/99/1072672199.db2.gz SQVZLSWOPACUIL-QRVIBDJDSA-N -1 3 650.947 6.387 40 10 KKCBHM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409161805 1072675183 /nfs/dbraw/zinc/67/51/83/1072675183.db2.gz PVUAKIPBLHVRMT-YDZHTSKRSA-N -1 3 699.419 7.430 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)SC2=S)c(Cl)c1 ZINC000409161259 1072677741 /nfs/dbraw/zinc/67/77/41/1072677741.db2.gz LOVXMAXUSIDAOM-UUYOSTAYSA-N -1 3 604.087 5.179 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3cn(Cc4ccc5ccccc5c4)c4ccccc34)SC2=S)c(Cl)c1 ZINC000409196727 1072828830 /nfs/dbraw/zinc/82/88/30/1072828830.db2.gz WOLCWWGERAPYPE-NTFVMDSBSA-N -1 3 568.123 7.351 40 10 KKCBHM CCOc1cc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409195838 1072835820 /nfs/dbraw/zinc/83/58/20/1072835820.db2.gz LONLLXLNYRPEJS-MTJSOVHGSA-N -1 3 571.036 5.689 40 10 KKCBHM CCOc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc(Br)c1[O-] ZINC000409205322 1072899499 /nfs/dbraw/zinc/89/94/99/1072899499.db2.gz POTXUSVARGDPJR-OVCLIPMQSA-N -1 3 515.248 5.722 40 10 KKCBHM COc1cc([C@@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(C)c4)cc3[C@@H]3C=CC[C@@H]32)cc(OC)c1OC ZINC000013640623 553479346 /nfs/dbraw/zinc/47/93/46/553479346.db2.gz XKHUQBHEJQWHAM-IWHLBADBSA-N -1 3 520.651 5.957 40 10 KKCBHM Cc1c(Cl)cccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1cc(Br)ccc1O ZINC000095346115 553701161 /nfs/dbraw/zinc/70/11/61/553701161.db2.gz SWMUVSSUYHLGER-BDTNDASRSA-N -1 3 513.775 5.168 40 10 KKCBHM CCOc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc(Br)c1[O-] ZINC000100229921 554255218 /nfs/dbraw/zinc/25/52/18/554255218.db2.gz HXGXIANQPCMPFG-HZHRSRAPSA-N -1 3 571.427 6.598 40 10 KKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C)cc4C)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000058846283 554366014 /nfs/dbraw/zinc/36/60/14/554366014.db2.gz ALVNAVGHWDDRGL-FYQCMVGJSA-N -1 3 505.596 5.848 40 10 KKCBHM COc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C(C)C)cc4)cc3[C@H]3C=CC[C@H]32)c1OC ZINC000058846829 554366483 /nfs/dbraw/zinc/36/64/83/554366483.db2.gz KKBXUZJDJLLDML-JWZKTCGFSA-N -1 3 504.652 6.455 40 10 KKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Br)cc2)N3)cc1C ZINC000058846532 554366512 /nfs/dbraw/zinc/36/65/12/554366512.db2.gz BUWJCYFLGHKXOK-PPJWLVRDSA-N -1 3 509.469 6.693 40 10 KKCBHM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000058847529 554366664 /nfs/dbraw/zinc/36/66/64/554366664.db2.gz OTRRSLFUKOGDMA-YZUZCNPQSA-N -1 3 515.860 6.730 40 10 KKCBHM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000058847595 554366825 /nfs/dbraw/zinc/36/68/25/554366825.db2.gz CJTHVZFFYYDTKS-GLDPYIMESA-N -1 3 504.961 6.986 40 10 KKCBHM COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4C)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058848061 554367430 /nfs/dbraw/zinc/36/74/30/554367430.db2.gz MUUCCZAUNCFQQO-VVZHRXSXSA-N -1 3 509.027 6.062 40 10 KKCBHM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C(C)(C)C)cc1)N2 ZINC000058847982 554367505 /nfs/dbraw/zinc/36/75/05/554367505.db2.gz YXSZHFVFVGLQNN-SXDGJLEOSA-N -1 3 507.099 7.573 40 10 KKCBHM COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058848243 554367681 /nfs/dbraw/zinc/36/76/81/554367681.db2.gz MVNZFVVMBANRDJ-VVZHRXSXSA-N -1 3 509.027 6.062 40 10 KKCBHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC)c(OC)c2)N3)cc1 ZINC000058848631 554367989 /nfs/dbraw/zinc/36/79/89/554367989.db2.gz ALKMEULJZSRKBM-SXDGJLEOSA-N -1 3 506.624 5.730 40 10 KKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(F)(F)F)N3)cc1 ZINC000058848507 554368077 /nfs/dbraw/zinc/36/80/77/554368077.db2.gz PNGFGLABGIFYGT-DFIYOIEZSA-N -1 3 500.542 6.341 40 10 KKCBHM COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Br)cc2)N3)c1 ZINC000058848743 554368305 /nfs/dbraw/zinc/36/83/05/554368305.db2.gz NYKHRMJTSXAOMY-SGIRGMQISA-N -1 3 511.441 6.085 40 10 KKCBHM COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N3)c1 ZINC000058848732 554368378 /nfs/dbraw/zinc/36/83/78/554368378.db2.gz PZLAGSDJCRBFMX-DFIYOIEZSA-N -1 3 511.987 5.884 40 10 KKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Br)N3)c(C)c1 ZINC000058850197 554369709 /nfs/dbraw/zinc/36/97/09/554369709.db2.gz RUQRSYGKXGSYMO-UNVFRBQDSA-N -1 3 509.469 6.693 40 10 KKCBHM CC(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Br)N3)cc1 ZINC000058850225 554369782 /nfs/dbraw/zinc/36/97/82/554369782.db2.gz RWWIBKVREZGPDP-XXAUWVGASA-N -1 3 523.496 7.200 40 10 KKCBHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Br)N3)c1 ZINC000058850209 554369882 /nfs/dbraw/zinc/36/98/82/554369882.db2.gz QFWDVHRFFDSASC-UNVFRBQDSA-N -1 3 509.469 6.693 40 10 KKCBHM CCOc1cc(Br)c(Br)c(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1[O-] ZINC000100929893 554526449 /nfs/dbraw/zinc/52/64/49/554526449.db2.gz HSKOCEVFXLLDSM-RIYZIHGNSA-N -1 3 515.248 5.722 40 10 KKCBHM C[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1)c1ccc(N2CCCCC2)cc1 ZINC000222626995 571377929 /nfs/dbraw/zinc/37/79/29/571377929.db2.gz PRZHCXIPYAIJMA-CQSZACIVSA-N -1 3 540.498 5.127 40 10 KKCBHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OCc4ccc([N+](=O)[O-])cc4)cc2)N3)c1 ZINC000104645929 571381748 /nfs/dbraw/zinc/38/17/48/571381748.db2.gz XEZFTEPNQQOCGO-FISMMAAMSA-N -1 3 581.694 7.418 40 10 KKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc4c(cc2Br)OCO4)N3)c(C)c1 ZINC000104645843 571381854 /nfs/dbraw/zinc/38/18/54/571381854.db2.gz UHPOARYWDIAUBG-CUMRGQLISA-N -1 3 553.478 6.422 40 10 KKCBHM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000104647400 571382170 /nfs/dbraw/zinc/38/21/70/571382170.db2.gz ZXLINGZYOZYAFR-YZUZCNPQSA-N -1 3 550.305 7.383 40 10 KKCBHM CC(C)(C)c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104647518 571382178 /nfs/dbraw/zinc/38/21/78/571382178.db2.gz OBOQWVGCYIKAMU-CLCZQPDDSA-N -1 3 527.517 7.918 40 10 KKCBHM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000104647378 571382210 /nfs/dbraw/zinc/38/22/10/571382210.db2.gz AVOCLBBSMOITJQ-XLNZFTOWSA-N -1 3 540.299 7.928 40 10 KKCBHM COc1cc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000104647482 571382219 /nfs/dbraw/zinc/38/22/19/571382219.db2.gz VYZVJJUZGFFTSO-LZCXECNNSA-N -1 3 561.487 6.647 40 10 KKCBHM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2 ZINC000104647664 571382391 /nfs/dbraw/zinc/38/23/91/571382391.db2.gz HODQNGFDKYTHAR-CEYNDMKZSA-N -1 3 530.433 6.837 40 10 KKCBHM O=S(=O)([N-]c1ccc(Br)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)OCO3)N2 ZINC000104648336 571382528 /nfs/dbraw/zinc/38/25/28/571382528.db2.gz GGYVGMPHHBCQDG-WZOHSFFVSA-N -1 3 525.424 5.805 40 10 KKCBHM O=[N+]([O-])c1ccccc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2[C@H]2C=CC[C@H]21 ZINC000104648293 571382534 /nfs/dbraw/zinc/38/25/34/571382534.db2.gz HYFVIAPVHJRFPL-GLDPYIMESA-N -1 3 526.412 5.985 40 10 KKCBHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc4c(cc2Br)OCO4)N3)cc1 ZINC000104648901 571382758 /nfs/dbraw/zinc/38/27/58/571382758.db2.gz LFTBSJRAKUHVEV-VKIDHGPPSA-N -1 3 569.477 6.204 40 10 KKCBHM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Oc5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104649283 571382768 /nfs/dbraw/zinc/38/27/68/571382768.db2.gz DIBWBAJGOBNUTF-NPLMNSEMSA-N -1 3 538.669 7.505 40 10 KKCBHM COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3ccc(Oc4ccccc4)cc3)cc2[C@H]2C=CC[C@H]21 ZINC000104649267 571382784 /nfs/dbraw/zinc/38/27/84/571382784.db2.gz YMFRAYZFJLWWAM-HEHLMWRFSA-N -1 3 524.642 7.115 40 10 KKCBHM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)c(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000104648750 571382806 /nfs/dbraw/zinc/38/28/06/571382806.db2.gz PXOXSKPMTUAYMN-BALWLHIASA-N -1 3 593.067 7.784 40 10 KKCBHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N3)cc1 ZINC000104648843 571382824 /nfs/dbraw/zinc/38/28/24/571382824.db2.gz UWPLROSZDKMLRQ-UZINWLIJSA-N -1 3 526.014 6.274 40 10 KKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc(Br)ccc2OC)N3)cc1OC ZINC000104649712 571383053 /nfs/dbraw/zinc/38/30/53/571383053.db2.gz VLCOGUZRDAUUEI-VKIDHGPPSA-N -1 3 571.493 6.102 40 10 KKCBHM O=S(=O)([N-]c1cccc2ccccc21)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000104650216 571383158 /nfs/dbraw/zinc/38/31/58/571383158.db2.gz VXRCJDWSWXEZSI-VYKTZEHYSA-N -1 3 531.475 7.230 40 10 KKCBHM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Br)N2 ZINC000104650441 571383328 /nfs/dbraw/zinc/38/33/28/571383328.db2.gz ABVPSDLHYLCIPJ-GLDPYIMESA-N -1 3 550.305 7.383 40 10 KKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224592430 571582148 /nfs/dbraw/zinc/58/21/48/571582148.db2.gz ZNMOILCAKVZCRW-FQLXRVMXSA-N -1 3 525.678 5.208 40 10 KKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccc(Br)cc1 ZINC000224604066 571584590 /nfs/dbraw/zinc/58/45/90/571584590.db2.gz MRLQQKFUNPHZMV-JWQCQUIFSA-N -1 3 519.468 6.134 40 10 KKCBHM CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])c2C)cc1 ZINC000224606019 571585164 /nfs/dbraw/zinc/58/51/64/571585164.db2.gz MWYSEPPMWLJDEX-WDYNHAJCSA-N -1 3 511.695 6.218 40 10 KKCBHM COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c1C ZINC000224608244 571585683 /nfs/dbraw/zinc/58/56/83/571585683.db2.gz OAFLZWQUBWNXMR-UIOOFZCWSA-N -1 3 515.595 5.289 40 10 KKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224860325 571624106 /nfs/dbraw/zinc/62/41/06/571624106.db2.gz XWDLURNTTHMAJU-JWQCQUIFSA-N -1 3 543.014 7.044 40 10 KKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccc(N(C)C)cc1 ZINC000224871952 571625283 /nfs/dbraw/zinc/62/52/83/571625283.db2.gz YUBPWRKAUGHNHH-SXOMAYOGSA-N -1 3 518.086 6.091 40 10 KKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1c(C)cc(C)cc1C ZINC000224873640 571625539 /nfs/dbraw/zinc/62/55/39/571625539.db2.gz QPYVFNCHJDYRGA-XCZPVHLTSA-N -1 3 517.098 6.951 40 10 KKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cccc(Cl)c1C ZINC000224873742 571625547 /nfs/dbraw/zinc/62/55/47/571625547.db2.gz BZIMFUGSYJWNQT-FTJBHMTQSA-N -1 3 523.489 6.987 40 10 KKCBHM COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c1C ZINC000224873967 571625598 /nfs/dbraw/zinc/62/55/98/571625598.db2.gz DXYSTJGKTYNWBR-IZZNHLLZSA-N -1 3 550.040 5.942 40 10 KKCBHM COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c1C ZINC000224874851 571625651 /nfs/dbraw/zinc/62/56/51/571625651.db2.gz PMDCVJDCLKMZHL-UIOOFZCWSA-N -1 3 550.040 5.942 40 10 KKCBHM COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c1C ZINC000224886391 571626722 /nfs/dbraw/zinc/62/67/22/571626722.db2.gz LHULXARDKMHEDD-UIOOFZCWSA-N -1 3 533.053 5.812 40 10 KKCBHM COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])c2C)c1 ZINC000224886223 571626762 /nfs/dbraw/zinc/62/67/62/571626762.db2.gz ZBEVKFHVOQAOTK-UIOOFZCWSA-N -1 3 533.053 5.812 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)ccc1[N-]S(C)(=O)=O ZINC000225423795 571789945 /nfs/dbraw/zinc/78/99/45/571789945.db2.gz ZKVNLXLYFFSWLL-JSOSNVBQSA-N -1 3 597.766 6.200 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C)c2C)ccc1[N-]S(C)(=O)=O ZINC000225424394 571790453 /nfs/dbraw/zinc/79/04/53/571790453.db2.gz YGVVXGKUSKWEER-NSOVKSMOSA-N -1 3 561.733 5.355 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225424755 571791143 /nfs/dbraw/zinc/79/11/43/571791143.db2.gz FCSXPISCVVNYPB-IZLXSDGUSA-N -1 3 561.733 5.355 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)ccc1[N-]S(C)(=O)=O ZINC000225424968 571791175 /nfs/dbraw/zinc/79/11/75/571791175.db2.gz OCNQWCVRGSREBY-RRPNLBNLSA-N -1 3 615.703 6.065 40 10 KKCBHM COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc([N-]S(C)(=O)=O)c(OC)c3)c2C)c1 ZINC000225427293 571794022 /nfs/dbraw/zinc/79/40/22/571794022.db2.gz UARNNQQUZUKWCF-VSGBNLITSA-N -1 3 577.732 5.055 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225428122 571795140 /nfs/dbraw/zinc/79/51/40/571795140.db2.gz OCSVDXCEUMUMSO-VMPREFPWSA-N -1 3 590.775 5.112 40 10 KKCBHM Cc1[n-]n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(=O)c1C=Nc1cc2[nH]c(=O)[nH]c2cc1N1CCCC1 ZINC000408530756 572172857 /nfs/dbraw/zinc/17/28/57/572172857.db2.gz MPORGABSXBJKTK-BWAHOGKJSA-N -1 3 536.680 6.055 40 10 KKCBHM CCN(CC)c1cc2c(cc1N=Cc1c(C)[n-]n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c1=O)n(C)c(=O)n2C ZINC000408536296 572190595 /nfs/dbraw/zinc/19/05/95/572190595.db2.gz VWOYEPCRDVZDRE-OOAXWGSJSA-N -1 3 566.750 5.910 40 10 KKCBHM CCOc1cc(COc2c(Br)cc(/C=C3/SC([N-]C(C)=O)=NC3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408538823 572199619 /nfs/dbraw/zinc/19/96/19/572199619.db2.gz CEMBNYLPPWFSIC-CVKSISIWSA-N -1 3 611.514 6.121 40 10 KKCBHM COc1cc(COc2c(Cl)cc(/C=C3/SC([N-]C(C)=O)=NC3=O)cc2Cl)ccc1OCc1ccccc1 ZINC000408540599 572206195 /nfs/dbraw/zinc/20/61/95/572206195.db2.gz UIOXLPAKQVCVGU-ZMOGYAJESA-N -1 3 557.455 6.266 40 10 KKCBHM COc1cc(COc2c(Br)cc(/C=C3/SC([N-]C(C)=O)=NC3=O)cc2Br)ccc1OCc1ccccc1 ZINC000408541176 572207724 /nfs/dbraw/zinc/20/77/24/572207724.db2.gz YFDSMVYMIRRZDB-ZMOGYAJESA-N -1 3 646.357 6.485 40 10 KKCBHM CC(=O)[N-]C1=NC(=O)/C(=C\c2cc(Br)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Br)c2)S1 ZINC000408550233 572233433 /nfs/dbraw/zinc/23/34/33/572233433.db2.gz BWMOBYUXRYVOAE-OMCISZLKSA-N -1 3 622.122 5.642 40 10 KKCBHM CCOc1cc(/C=C2/SC([N-]C(C)=O)=NC2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408550717 572234662 /nfs/dbraw/zinc/23/46/62/572234662.db2.gz GTSZGZKCTWPDOI-QGMBQPNBSA-N -1 3 634.279 5.121 40 10 KKCBHM CC1(C)Oc2cc(CN3CCN(C(=O)COc4ccc(Cl)cc4)CC3)c([O-])cc2[C@@H]2O[C@H](Cc3ccc(F)cc3)CC[C@H]21 ZINC000257270966 572312929 /nfs/dbraw/zinc/31/29/29/572312929.db2.gz MWIYRVDARQBJSF-UFPFOHJASA-N -1 3 609.138 6.158 40 10 KKCBHM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCc1ccc(C)cc1 ZINC000409139890 1070563490 /nfs/dbraw/zinc/56/34/90/1070563490.db2.gz GGCAKKXTBZGZNQ-ZVHZXABRSA-N -1 3 539.078 6.091 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)SC2=S)c(Cl)c1 ZINC000409204532 1070630288 /nfs/dbraw/zinc/63/02/88/1070630288.db2.gz IEZPZJCQAKZIAU-ODLFYWEKSA-N -1 3 526.983 5.290 40 10 KKCBHM CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Br)c1[O-] ZINC000408893269 1070867091 /nfs/dbraw/zinc/86/70/91/1070867091.db2.gz LSIPAOQDPFNEDA-UHFFFAOYSA-N -1 3 523.408 5.302 40 10 KKCBHM O=S(=O)([N-]c1ccc(Br)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC3CSC3)cc1)N2 ZINC000409002857 1071639225 /nfs/dbraw/zinc/63/92/25/1071639225.db2.gz WXNVMCARENSBCO-CLCZQPDDSA-N -1 3 569.546 6.571 40 10 KKCBHM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(OC4CSC4)c2)N3)c1 ZINC000409334845 1072342157 /nfs/dbraw/zinc/34/21/57/1072342157.db2.gz IXAMBVOLYJQOAQ-BXTSTYNKSA-N -1 3 504.677 6.117 40 10 KKCBHM Cc1c(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)c2ccccc2n1Cc1ccccc1Cl ZINC000409330356 1072377160 /nfs/dbraw/zinc/37/71/60/1072377160.db2.gz LIVFEKWVCJPFBJ-QFEZKATASA-N -1 3 566.535 7.159 40 10 KKCBHM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409143580 1072539532 /nfs/dbraw/zinc/53/95/32/1072539532.db2.gz FYZLUZZEWQYZOT-LSHDLFTRSA-N -1 3 672.837 7.852 40 10 KKCBHM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409142649 1072546946 /nfs/dbraw/zinc/54/69/46/1072546946.db2.gz BFXMOZMJBJWGJR-JVWAILMASA-N -1 3 715.034 7.930 40 10 KKCBHM CCCOc1ccc(Br)cc1/C=C1/SC(=S)N([N-]C(=O)c2ccc(C)cc2Cl)C1=O ZINC000409141075 1072555796 /nfs/dbraw/zinc/55/57/96/1072555796.db2.gz LUMHBYFOCQKKNE-WOJGMQOQSA-N -1 3 525.877 5.746 40 10 KKCBHM CCOc1cc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCc1ccc(F)cc1 ZINC000409140607 1072558741 /nfs/dbraw/zinc/55/87/41/1072558741.db2.gz KMDZHMFNQMPHLO-OYKKKHCWSA-N -1 3 557.068 6.311 40 10 KKCBHM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409139693 1072563456 /nfs/dbraw/zinc/56/34/56/1072563456.db2.gz DAASNFXDCFKKIA-ZVHZXABRSA-N -1 3 584.075 6.081 40 10 KKCBHM COc1cc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409149587 1072634085 /nfs/dbraw/zinc/63/40/85/1072634085.db2.gz KRUZTQVEVCDXSF-OYKKKHCWSA-N -1 3 582.103 5.529 40 10 KKCBHM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409147512 1072649991 /nfs/dbraw/zinc/64/99/91/1072649991.db2.gz ZTMCECBTOUOJDK-FOKLQQMPSA-N -1 3 593.941 7.089 40 10 KKCBHM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c([O-])c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186239 1072762137 /nfs/dbraw/zinc/76/21/37/1072762137.db2.gz ZHVLROBHDNLYPT-QICITKFESA-N -1 3 719.601 6.399 40 10 KKCBHM O=C1/C(=C/c2ccc([O-])c(I)c2)SC(=S)N1c1cccc(Br)c1 ZINC000409204965 1072901453 /nfs/dbraw/zinc/90/14/53/1072901453.db2.gz DRUDDLJUOLVNQR-AUWJEWJLSA-N -1 3 518.195 5.165 40 10 KKCBHM O=C1[C@@H](NCc2c([O-])ccc3ccccc32)CON1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000005052232 552492994 /nfs/dbraw/zinc/49/29/94/552492994.db2.gz RMBVREDXWMZMPL-PMERELPUSA-N -1 3 500.598 5.770 40 10 KKCBHM Cc1ccc(S(=O)(=O)[N-][C@H](c2ccc(N(C)C)c3c2cccc3N(C)C)C(Cl)(Cl)Cl)cc1 ZINC000006245635 552574086 /nfs/dbraw/zinc/57/40/86/552574086.db2.gz ILMSBTFKVYLTOO-JOCHJYFZSA-N -1 3 514.906 5.670 40 10 KKCBHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Br)N2 ZINC000016362330 553561379 /nfs/dbraw/zinc/56/13/79/553561379.db2.gz SRPMLMZFQDDCRG-UNVFRBQDSA-N -1 3 509.469 6.693 40 10 KKCBHM CC(=Nc1ccc(Oc2ccccc2)cc1)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1-c1ccccc1 ZINC000020288338 553633516 /nfs/dbraw/zinc/63/35/16/553633516.db2.gz AWLANVHQAGFVPG-OOAXWGSJSA-N -1 3 502.599 7.226 40 10 KKCBHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N3)c1 ZINC000058846633 554366368 /nfs/dbraw/zinc/36/63/68/554366368.db2.gz VXNJGFKBHMYKJU-UZINWLIJSA-N -1 3 510.015 6.492 40 10 KKCBHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Br)cc2)N3)c1 ZINC000058846643 554366394 /nfs/dbraw/zinc/36/63/94/554366394.db2.gz XHQGKKPWJSZRDI-PPJWLVRDSA-N -1 3 509.469 6.693 40 10 KKCBHM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C(C)(C)C)cc1)N2 ZINC000058848094 554367326 /nfs/dbraw/zinc/36/73/26/554367326.db2.gz JGNXFFFBMSTQEX-VYKTZEHYSA-N -1 3 507.099 7.573 40 10 KKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)ccc4C)cc3[C@H]3C=CC[C@H]32)cc1OC ZINC000058848161 554367370 /nfs/dbraw/zinc/36/73/70/554367370.db2.gz FJWUPLSLVZQVHD-FYQCMVGJSA-N -1 3 511.043 6.293 40 10 KKCBHM COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)ccc4C)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058848166 554367661 /nfs/dbraw/zinc/36/76/61/554367661.db2.gz WAIXWGYRZTVOOH-VVZHRXSXSA-N -1 3 509.027 6.062 40 10 KKCBHM COc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(Cl)c4)cc3[C@H]3C=CC[C@H]32)c1OC ZINC000058848240 554367705 /nfs/dbraw/zinc/36/77/05/554367705.db2.gz CWUXBQCPMJJMOO-UNVFRBQDSA-N -1 3 511.043 6.293 40 10 KKCBHM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C(C)(C)C)cc1)N2 ZINC000058848188 554367712 /nfs/dbraw/zinc/36/77/12/554367712.db2.gz SLZIRTZFMFOEGN-VYKTZEHYSA-N -1 3 507.099 7.573 40 10 KKCBHM O=S(=O)([N-]c1ccc(Br)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 ZINC000058848340 554367725 /nfs/dbraw/zinc/36/77/25/554367725.db2.gz RGWWIKUQAICAAU-GLDPYIMESA-N -1 3 515.860 6.730 40 10 KKCBHM O=S(=O)([N-]c1ccc(Br)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000058848350 554367760 /nfs/dbraw/zinc/36/77/60/554367760.db2.gz NRUVBZWCFDTBCQ-YZUZCNPQSA-N -1 3 515.860 6.730 40 10 KKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(Cl)cccc2Cl)N3)cc1 ZINC000058848467 554368057 /nfs/dbraw/zinc/36/80/57/554368057.db2.gz AGAOJVCOTPLCIC-CEYNDMKZSA-N -1 3 501.435 6.629 40 10 KKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)c(Cl)c2)N3)cc1 ZINC000058848442 554368128 /nfs/dbraw/zinc/36/81/28/554368128.db2.gz BUGBUHJMGODLCC-WZOHSFFVSA-N -1 3 501.435 6.629 40 10 KKCBHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C(C)(C)C)cc2)N3)cc1 ZINC000058848675 554368434 /nfs/dbraw/zinc/36/84/34/554368434.db2.gz LPWULYQHMIHRNP-IWVFXYMLSA-N -1 3 502.680 7.010 40 10 KKCBHM COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(OC)c(OC)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058849561 554368974 /nfs/dbraw/zinc/36/89/74/554368974.db2.gz HESRGXYJYPWDMP-OREGWCPLSA-N -1 3 520.607 5.118 40 10 KKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC)c(OC)c2)N3)cc1OC ZINC000058849547 554369164 /nfs/dbraw/zinc/36/91/64/554369164.db2.gz OBUINZJMLGUNOX-BALWLHIASA-N -1 3 522.623 5.348 40 10 KKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc4c(c2)OCO4)N3)cc1OC ZINC000058849584 554369171 /nfs/dbraw/zinc/36/91/71/554369171.db2.gz KWXRMTGKTFKLGB-ASHZAFPQSA-N -1 3 506.580 5.060 40 10 KKCBHM CC(C)Oc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058850114 554369765 /nfs/dbraw/zinc/36/97/65/554369765.db2.gz WNQZOCRLYGTYMI-SWFBWHSRSA-N -1 3 510.659 7.254 40 10 KKCBHM CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Br)N2 ZINC000058850188 554369843 /nfs/dbraw/zinc/36/98/43/554369843.db2.gz OAQANUVHICDIMR-UNVFRBQDSA-N -1 3 509.469 6.639 40 10 KKCBHM COc1ccc(C(=O)[C@H]2[C@@H](c3cc(Br)ccc3[O-])C3(C(=O)c4ccccc4C3=O)[C@H]3c4ccccc4C=NN23)cc1 ZINC000104009207 571371061 /nfs/dbraw/zinc/37/10/61/571371061.db2.gz MNIUKVOKVGMRGA-MUPNOLHXSA-N -1 3 607.460 5.968 40 10 KKCBHM CC(=O)NCCc1[n-]c(N=Nc2ccc(Br)cc2)nc1N=Nc1ccc(Br)cc1 ZINC000104182370 571376137 /nfs/dbraw/zinc/37/61/37/571376137.db2.gz SXIGKALKFGSRBE-MPCWFZQZSA-N -1 3 519.201 6.444 40 10 KKCBHM CC(=O)NCCc1nc(N=Nc2ccc(Br)cc2)[n-]c1N=Nc1ccc(Br)cc1 ZINC000104182370 571376138 /nfs/dbraw/zinc/37/61/38/571376138.db2.gz SXIGKALKFGSRBE-MPCWFZQZSA-N -1 3 519.201 6.444 40 10 KKCBHM COC(=O)[C@H](Cc1[n-]c(N=Nc2ccc(Br)cc2)nc1N=Nc1ccc(Br)cc1)NC(C)=O ZINC000104183529 571376189 /nfs/dbraw/zinc/37/61/89/571376189.db2.gz AJOHJTTUNAQXBF-UATQVVCCSA-N -1 3 577.237 5.986 40 10 KKCBHM COC(=O)[C@H](Cc1nc(N=Nc2ccc(Br)cc2)[n-]c1N=Nc1ccc(Br)cc1)NC(C)=O ZINC000104183529 571376191 /nfs/dbraw/zinc/37/61/91/571376191.db2.gz AJOHJTTUNAQXBF-UATQVVCCSA-N -1 3 577.237 5.986 40 10 KKCBHM CC(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc4c(cc2Br)OCO4)N3)cc1 ZINC000104646190 571381869 /nfs/dbraw/zinc/38/18/69/571381869.db2.gz ICMWXGLANIEJCE-GTNJKRJXSA-N -1 3 567.505 6.929 40 10 KKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(-c5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000104646363 571381907 /nfs/dbraw/zinc/38/19/07/571381907.db2.gz PPMOIANTGYBHIR-ADRXYBOHSA-N -1 3 553.640 6.898 40 10 KKCBHM O=[N+]([O-])c1ccc(COc2ccc([C@H]3Nc4ccc(S(=O)(=O)[N-]c5ccc(F)cc5)cc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000104646554 571381993 /nfs/dbraw/zinc/38/19/93/571381993.db2.gz BGAHIKGWHGBDKS-WTNLLYQRSA-N -1 3 571.630 6.940 40 10 KKCBHM O=S(=O)([N-]c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000104646216 571382006 /nfs/dbraw/zinc/38/20/06/571382006.db2.gz KYZUYHMKJCTDMC-NHWZYIIXSA-N -1 3 547.507 8.288 40 10 KKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000104647503 571382130 /nfs/dbraw/zinc/38/21/30/571382130.db2.gz RMKGIGZXRHBMPB-WZOHSFFVSA-N -1 3 546.432 6.538 40 10 KKCBHM COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104647426 571382213 /nfs/dbraw/zinc/38/22/13/571382213.db2.gz QTRONUHMYNBKST-UZINWLIJSA-N -1 3 531.461 6.638 40 10 KKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Br)c2)N3)cc1Cl ZINC000104647899 571382302 /nfs/dbraw/zinc/38/23/02/571382302.db2.gz YEALUPDZAXGLBK-BPYKYCOYSA-N -1 3 529.887 7.038 40 10 KKCBHM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)N2 ZINC000104647861 571382319 /nfs/dbraw/zinc/38/23/19/571382319.db2.gz ADFOCLCYUPUQOA-YUXUKGBOSA-N -1 3 602.112 7.763 40 10 KKCBHM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 ZINC000104647739 571382344 /nfs/dbraw/zinc/38/23/44/571382344.db2.gz KTFLOLCBLLOSNV-DFXHWTJYSA-N -1 3 573.896 6.767 40 10 KKCBHM O=S(=O)([N-]c1cccc(Br)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000104648021 571382383 /nfs/dbraw/zinc/38/23/83/571382383.db2.gz RTOFXMXFRJCKQW-YZUZCNPQSA-N -1 3 560.311 6.839 40 10 KKCBHM O=[N+]([O-])c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Br)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104648311 571382490 /nfs/dbraw/zinc/38/24/90/571382490.db2.gz JTPMEZWQFHDHOP-YZUZCNPQSA-N -1 3 526.412 5.985 40 10 KKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Br)cc4)cc3[C@H]3C=CC[C@H]32)cc1OC ZINC000104648265 571382498 /nfs/dbraw/zinc/38/24/98/571382498.db2.gz YDDMTOFUICXGJH-LZCXECNNSA-N -1 3 541.467 6.094 40 10 KKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(Br)c4)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000104648146 571382508 /nfs/dbraw/zinc/38/25/08/571382508.db2.gz JMSCYUVGWSNKMD-WZOHSFFVSA-N -1 3 556.438 5.993 40 10 KKCBHM CC(C)Oc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(Br)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104648122 571382514 /nfs/dbraw/zinc/38/25/14/571382514.db2.gz NUGICOLKIOKKHJ-CLCZQPDDSA-N -1 3 539.495 6.864 40 10 KKCBHM O=S(=O)([N-]c1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000104648601 571382618 /nfs/dbraw/zinc/38/26/18/571382618.db2.gz KQWUHKLKXRXNBE-XLNZFTOWSA-N -1 3 583.857 7.749 40 10 KKCBHM O=S(=O)([N-]c1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000104648568 571382626 /nfs/dbraw/zinc/38/26/26/571382626.db2.gz HOSHKORDRVSXHQ-XLNZFTOWSA-N -1 3 539.406 7.640 40 10 KKCBHM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000104648501 571382655 /nfs/dbraw/zinc/38/26/55/571382655.db2.gz UDYWJTQMEGEONW-SXDGJLEOSA-N -1 3 558.622 7.130 40 10 KKCBHM O=S(=O)([N-]c1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000104648579 571382657 /nfs/dbraw/zinc/38/26/57/571382657.db2.gz PIXPIOKXBDBDKW-OBWXTZQISA-N -1 3 573.851 8.293 40 10 KKCBHM O=S(=O)([N-]c1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000104648607 571382683 /nfs/dbraw/zinc/38/26/83/571382683.db2.gz SBMLHDWWERFKNN-XLNZFTOWSA-N -1 3 583.857 7.749 40 10 KKCBHM O=S(=O)([N-]c1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)OCO3)N2 ZINC000104648738 571382697 /nfs/dbraw/zinc/38/26/97/571382697.db2.gz LUDIYWGVJQGYNC-YYULODDRSA-N -1 3 548.970 6.715 40 10 KKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Oc5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)cc1OC ZINC000104649302 571382756 /nfs/dbraw/zinc/38/27/56/571382756.db2.gz DRPFJOSUEPBBFY-PYYUSEHKSA-N -1 3 554.668 7.123 40 10 KKCBHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Br)cc2)N3)cc1 ZINC000104648854 571382760 /nfs/dbraw/zinc/38/27/60/571382760.db2.gz KKYLGDUZUDKMCG-PPJWLVRDSA-N -1 3 525.468 6.475 40 10 KKCBHM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(OC)c(OC)c4)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000104649725 571383039 /nfs/dbraw/zinc/38/30/39/571383039.db2.gz XZHBYZMPLJRLEL-DDFCPOBKSA-N -1 3 550.677 6.129 40 10 KKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OCc4ccc([N+](=O)[O-])cc4)cc2)N3)cc1OC ZINC000104649738 571383057 /nfs/dbraw/zinc/38/30/57/571383057.db2.gz MIVRTUCXDGXAGN-QSOCVKKASA-N -1 3 613.692 6.818 40 10 KKCBHM O=S(=O)([N-]c1cccc2ccccc21)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2 ZINC000104650228 571383091 /nfs/dbraw/zinc/38/30/91/571383091.db2.gz GUACDODTFXCRTC-GTNJKRJXSA-N -1 3 521.469 7.774 40 10 KKCBHM Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)[N-]c3ccc(Cl)cc3C(=O)c3ccccc3)o2)cc1Cl ZINC000112231073 571434133 /nfs/dbraw/zinc/43/41/33/571434133.db2.gz LYGSEIWMHWSICK-SDNWHVSQSA-N -1 3 535.452 7.319 40 10 KKCBHM O=[N+]([O-])c1ccc(COc2ccc([C@H]3Nc4ccc(S(=O)(=O)[N-]c5ccc(Br)cc5)cc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000164472123 571548691 /nfs/dbraw/zinc/54/86/91/571548691.db2.gz LGBMTZPISGOHOZ-WTNLLYQRSA-N -1 3 632.536 7.564 40 10 KKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccccc1Br ZINC000224603731 571584677 /nfs/dbraw/zinc/58/46/77/571584677.db2.gz JAUZLBJBODOYSL-LOSJGSFVSA-N -1 3 519.468 6.134 40 10 KKCBHM COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c1C ZINC000224608198 571585513 /nfs/dbraw/zinc/58/55/13/571585513.db2.gz OAFLZWQUBWNXMR-IZZNHLLZSA-N -1 3 515.595 5.289 40 10 KKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cccc(Cl)c1 ZINC000224869765 571625066 /nfs/dbraw/zinc/62/50/66/571625066.db2.gz DICFWYIWFLWFDN-RPBOFIJWSA-N -1 3 509.462 6.679 40 10 KKCBHM CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])c2C)cc1 ZINC000224872174 571625350 /nfs/dbraw/zinc/62/53/50/571625350.db2.gz ZRJAQLAWRCOZIH-URLMMPGGSA-N -1 3 546.140 6.871 40 10 KKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cccc(Cl)c1Cl ZINC000224872388 571625389 /nfs/dbraw/zinc/62/53/89/571625389.db2.gz LIAXYFPOJVVTEH-DQEYMECFSA-N -1 3 543.907 7.332 40 10 KKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cc(C)ccc1C ZINC000224872889 571625397 /nfs/dbraw/zinc/62/53/97/571625397.db2.gz HQMPSNFAXFTYDT-RRPNLBNLSA-N -1 3 503.071 6.642 40 10 KKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccc(Cl)cc1Cl ZINC000224872565 571625401 /nfs/dbraw/zinc/62/54/01/571625401.db2.gz WGJOBBWNKLUFNT-DQEYMECFSA-N -1 3 543.907 7.332 40 10 KKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cccc(Cl)c1C ZINC000224873701 571625528 /nfs/dbraw/zinc/62/55/28/571625528.db2.gz BZIMFUGSYJWNQT-CLJLJLNGSA-N -1 3 523.489 6.987 40 10 KKCBHM CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c1C ZINC000224874946 571625706 /nfs/dbraw/zinc/62/57/06/571625706.db2.gz OVQSBCSGMMUNFF-IAPPQJPRSA-N -1 3 517.098 6.896 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225416813 571784203 /nfs/dbraw/zinc/78/42/03/571784203.db2.gz FBSWHWWMSJCZEO-RRPNLBNLSA-N -1 3 615.703 6.065 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)ccc1[N-]S(C)(=O)=O ZINC000225423856 571789914 /nfs/dbraw/zinc/78/99/14/571789914.db2.gz ZKVNLXLYFFSWLL-FIRIVFDPSA-N -1 3 597.766 6.200 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225424278 571790541 /nfs/dbraw/zinc/79/05/41/571790541.db2.gz NBZLDMRXCCAYPK-SXOMAYOGSA-N -1 3 547.706 5.046 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225424657 571791198 /nfs/dbraw/zinc/79/11/98/571791198.db2.gz NAKFJGCBSSHFBG-VSGBNLITSA-N -1 3 561.733 5.355 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225425865 571791940 /nfs/dbraw/zinc/79/19/40/571791940.db2.gz BJQLHHHQQJJIDV-KAYWLYCHSA-N -1 3 565.696 5.185 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225425789 571792026 /nfs/dbraw/zinc/79/20/26/571792026.db2.gz BJQLHHHQQJJIDV-SXOMAYOGSA-N -1 3 565.696 5.185 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225426282 571792287 /nfs/dbraw/zinc/79/22/87/571792287.db2.gz NKYQESCQRWAUOX-SVBPBHIXSA-N -1 3 582.151 5.700 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Cl)c2C)ccc1[N-]S(C)(=O)=O ZINC000225425925 571792462 /nfs/dbraw/zinc/79/24/62/571792462.db2.gz PYPLDPJSMDORSD-SVBPBHIXSA-N -1 3 582.151 5.700 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)ccc1[N-]S(C)(=O)=O ZINC000225428495 571795804 /nfs/dbraw/zinc/79/58/04/571795804.db2.gz SGXCGGCVCQTPQV-RRPNLBNLSA-N -1 3 616.596 6.353 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)ccc1[N-]S(C)(=O)=O ZINC000225429445 571796917 /nfs/dbraw/zinc/79/69/17/571796917.db2.gz QORJCYVSKGCVEM-VMPREFPWSA-N -1 3 575.760 5.663 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)ccc1[N-]S(C)(=O)=O ZINC000225430240 571797844 /nfs/dbraw/zinc/79/78/44/571797844.db2.gz YDTSNQBPAGMYPP-MFMCTBQISA-N -1 3 589.787 5.972 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)ccc1[N-]S(C)(=O)=O ZINC000225430465 571797852 /nfs/dbraw/zinc/79/78/52/571797852.db2.gz BFFDSSPEACIQDY-VSGBNLITSA-N -1 3 596.178 6.008 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)ccc1[N-]S(C)(=O)=O ZINC000225430420 571797932 /nfs/dbraw/zinc/79/79/32/571797932.db2.gz BFFDSSPEACIQDY-WUFINQPMSA-N -1 3 596.178 6.008 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)ccc1[N-]S(C)(=O)=O ZINC000225430286 571797959 /nfs/dbraw/zinc/79/79/59/571797959.db2.gz YDTSNQBPAGMYPP-PQHLKRTFSA-N -1 3 589.787 5.972 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)ccc1[N-]S(C)(=O)=O ZINC000225430992 571798348 /nfs/dbraw/zinc/79/83/48/571798348.db2.gz MCBAEDRELUNCAC-VSGBNLITSA-N -1 3 596.178 6.008 40 10 KKCBHM CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c([N-]S(C)(=O)=O)c3)c2C)cc1 ZINC000225482344 571852963 /nfs/dbraw/zinc/85/29/63/571852963.db2.gz PONMDPINQMOZHK-CONSDPRKSA-N -1 3 618.829 5.893 40 10 KKCBHM Cc1[n-]n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(=O)c1C=Nc1ccc(N=Nc2ccccc2)cc1 ZINC000408526830 572158920 /nfs/dbraw/zinc/15/89/20/572158920.db2.gz CNBYBXGTIYFGHY-BLUDPRGSSA-N -1 3 515.661 8.288 40 10 KKCBHM Cc1[n-]n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(=O)c1C=Nc1cc2[nH]c(=O)[nH]c2cc1N1CCN(C)CC1 ZINC000408533794 572184518 /nfs/dbraw/zinc/18/45/18/572184518.db2.gz PDBAGVDQWLACIC-XHPQRKPJSA-N -1 3 565.722 5.207 40 10 KKCBHM CCOc1cc(/C=C2/SC([N-]C(C)=O)=NC2=O)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1 ZINC000408539465 572202609 /nfs/dbraw/zinc/20/26/09/572202609.db2.gz HWMDDGFWBXYPFQ-OGLMXYFKSA-N -1 3 546.645 5.748 40 10 KKCBHM CCOc1cc(COc2c(Br)cc(/C=C3/SC([N-]C(C)=O)=NC3=O)cc2Br)ccc1OCc1ccccc1 ZINC000408540439 572205912 /nfs/dbraw/zinc/20/59/12/572205912.db2.gz RUOJEEAEYPFYRC-AFUMVMLFSA-N -1 3 660.384 6.875 40 10 KKCBHM CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1[O-] ZINC000408898906 1070950497 /nfs/dbraw/zinc/95/04/97/1070950497.db2.gz NJRRFCFAHAZIRP-UHFFFAOYSA-N -1 3 507.340 5.137 40 10 KKCBHM O=S(=O)([N-]c1cccc2ccccc21)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000408759982 1071699134 /nfs/dbraw/zinc/69/91/34/1071699134.db2.gz PLXVKRGHWHCGQR-TYPXCFOJSA-N -1 3 520.576 7.486 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3cn(CC(=O)Nc4ccc(F)cc4)c4ccccc34)SC2=S)c(Cl)c1 ZINC000409339337 1072477590 /nfs/dbraw/zinc/47/75/90/1072477590.db2.gz HNHXAKFAPWIPDC-CFRMEGHHSA-N -1 3 579.078 5.927 40 10 KKCBHM O=C1/C(=C/c2ccc([O-])c(I)c2)SC(=S)N1c1ccc(Br)cc1 ZINC000409338114 1072488236 /nfs/dbraw/zinc/48/82/36/1072488236.db2.gz DFZKAFGBMQBFAE-ZSOIEALJSA-N -1 3 518.195 5.165 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)SC2=S)c(Cl)c1 ZINC000409144342 1072535023 /nfs/dbraw/zinc/53/50/23/1072535023.db2.gz JRYLXCRSUCPHMJ-VXLYETTFSA-N -1 3 578.853 6.125 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)SC2=S)c(Cl)c1 ZINC000409144306 1072536798 /nfs/dbraw/zinc/53/67/98/1072536798.db2.gz JOXAFBAMKYFUTP-VXLYETTFSA-N -1 3 523.850 6.761 40 10 KKCBHM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409144005 1072538603 /nfs/dbraw/zinc/53/86/03/1072538603.db2.gz XFXZKICSNHNRNK-ZMOGYAJESA-N -1 3 607.968 7.479 40 10 KKCBHM COc1ccc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc1OCc1c(F)cccc1Cl ZINC000409140087 1072560610 /nfs/dbraw/zinc/56/06/10/1072560610.db2.gz HSMXIJQJQPBICJ-FSJBWODESA-N -1 3 577.486 6.575 40 10 KKCBHM Cc1cccc(NC(=O)COc2ccc(/C=C3/SC(=S)N([N-]C(=O)c4ccc(C)cc4Cl)C3=O)cc2)c1 ZINC000409149290 1072636642 /nfs/dbraw/zinc/63/66/42/1072636642.db2.gz AMXVSWJIPWOBQJ-OEAKJJBVSA-N -1 3 552.077 5.521 40 10 KKCBHM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409147675 1072646927 /nfs/dbraw/zinc/64/69/27/1072646927.db2.gz YONJQAGHRFTQQS-WSDLNYQXSA-N -1 3 682.843 7.307 40 10 KKCBHM CCOc1cc(Br)c(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc1OC ZINC000409162480 1072670056 /nfs/dbraw/zinc/67/00/56/1072670056.db2.gz VQOLIMWZAJMNAQ-NVMNQCDNSA-N -1 3 541.876 5.364 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)SC2=S)c(Cl)c1 ZINC000409161301 1072677770 /nfs/dbraw/zinc/67/77/70/1072677770.db2.gz MVHAMPHTZWTVFC-VXLYETTFSA-N -1 3 523.850 6.761 40 10 KKCBHM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCc1ccccc1F ZINC000409159827 1072686081 /nfs/dbraw/zinc/68/60/81/1072686081.db2.gz ACVZMYTZJMCLLH-YDZHTSKRSA-N -1 3 543.041 5.921 40 10 KKCBHM CCOC(=O)c1cc(-c2ccc(/C=C3/SC(=S)N([N-]C(=O)c4ccc(C)cc4Cl)C3=O)o2)ccc1Cl ZINC000409198331 1072930079 /nfs/dbraw/zinc/93/00/79/1072930079.db2.gz COZHQTARNZYUIM-CIAFOILYSA-N -1 3 561.468 6.285 40 10 KKCBHM CCOc1ccc(N2C(=O)c3cc(I)ccc3N[C@H]2c2cc(Br)ccc2[O-])cc1 ZINC000002747445 552174485 /nfs/dbraw/zinc/17/44/85/552174485.db2.gz GWAXKEVENAWTDM-OAQYLSRUSA-N -1 3 565.205 5.929 40 10 KKCBHM COC(=O)C=c1[n-]n(-c2ccccc2)c(=O)c1=Cc1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 ZINC000013880603 553493891 /nfs/dbraw/zinc/49/38/91/553493891.db2.gz CJKIEGHHHBYPLU-DICXZTSXSA-N -1 3 520.633 5.689 40 10 KKCBHM O=C1[C@H](NCc2c([O-])ccc3ccccc32)CON1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000016954436 553584929 /nfs/dbraw/zinc/58/49/29/553584929.db2.gz RMBVREDXWMZMPL-SSEXGKCCSA-N -1 3 500.598 5.770 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)SC2=S)c(Cl)c1 ZINC000100339893 554324605 /nfs/dbraw/zinc/32/46/05/554324605.db2.gz HBEYHBYFXPPPIU-MTJSOVHGSA-N -1 3 576.508 6.907 40 10 KKCBHM Cc1[n-]n(-c2ccccc2)c(=S)c1C=Nc1c(Br)cc(Br)cc1Br ZINC000049757325 554325202 /nfs/dbraw/zinc/32/52/02/554325202.db2.gz SORNSTKZKQJTIW-LCYFTJDESA-N -1 3 530.083 6.493 40 10 KKCBHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000058846440 554365979 /nfs/dbraw/zinc/36/59/79/554365979.db2.gz PBRCUNRKCWKZDX-VVZHRXSXSA-N -1 3 509.469 6.693 40 10 KKCBHM CC(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(F)(F)F)N3)cc1 ZINC000058846857 554366378 /nfs/dbraw/zinc/36/63/78/554366378.db2.gz MQJIIHLQFGZSRI-XXAUWVGASA-N -1 3 512.597 7.456 40 10 KKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C(C)C)cc4)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000058846868 554366403 /nfs/dbraw/zinc/36/64/03/554366403.db2.gz XNOYPFXNVGWXKT-SXDGJLEOSA-N -1 3 519.623 6.354 40 10 KKCBHM O=S(=O)([N-]c1cccc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000058847404 554366846 /nfs/dbraw/zinc/36/68/46/554366846.db2.gz KQIUEKREZXIUOH-YZUZCNPQSA-N -1 3 515.860 6.730 40 10 KKCBHM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000058847612 554367045 /nfs/dbraw/zinc/36/70/45/554367045.db2.gz PGUOHFFJEOEXLF-SXDGJLEOSA-N -1 3 525.070 6.765 40 10 KKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(Br)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058848317 554367732 /nfs/dbraw/zinc/36/77/32/554367732.db2.gz NROBRSMDTCGYCZ-SGIRGMQISA-N -1 3 511.441 6.085 40 10 KKCBHM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)OCO3)N2 ZINC000058848408 554368099 /nfs/dbraw/zinc/36/80/99/554368099.db2.gz QFQRTYBSNLBVPU-WZOHSFFVSA-N -1 3 514.525 6.061 40 10 KKCBHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC)cc2OC)N3)cc1 ZINC000058848621 554368121 /nfs/dbraw/zinc/36/81/21/554368121.db2.gz GXURTUCAFYQWPQ-JWZKTCGFSA-N -1 3 506.624 5.730 40 10 KKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc([N+](=O)[O-])c2)N3)cc1OC ZINC000058849570 554369075 /nfs/dbraw/zinc/36/90/75/554369075.db2.gz FTGSWJLHYZPTTB-LZCXECNNSA-N -1 3 507.568 5.239 40 10 KKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC(C)C)cc2)N3)cc1OC ZINC000058849579 554369093 /nfs/dbraw/zinc/36/90/93/554369093.db2.gz KJGNCHRLJBIFOZ-CTVOUCONSA-N -1 3 520.651 6.118 40 10 KKCBHM COc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3[C@H]3C=CC[C@H]32)c1OC ZINC000058850095 554369800 /nfs/dbraw/zinc/36/98/00/554369800.db2.gz RWYCRWLZKAFIBT-CTWZREHQSA-N -1 3 512.631 6.484 40 10 KKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(F)cccc2Cl)N3)cc1OC ZINC000058850321 554369861 /nfs/dbraw/zinc/36/98/61/554369861.db2.gz HZUVBYCQBNVIHD-DFXHWTJYSA-N -1 3 515.006 6.124 40 10 KKCBHM CC(C)(C)c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058850123 554369867 /nfs/dbraw/zinc/36/98/67/554369867.db2.gz DLONJMWMJWRAAW-SWFBWHSRSA-N -1 3 508.687 7.765 40 10 KKCBHM CCOc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1[O-] ZINC000103760348 555471143 /nfs/dbraw/zinc/47/11/43/555471143.db2.gz NJIGRQFPTUEPER-UHFFFAOYSA-N -1 3 551.462 5.919 40 10 KKCBHM CC(=O)NCCc1[n-]c(N=Nc2ccc(Br)cc2)nc1N=Nc1ccc(Br)cc1 ZINC000104182364 571376063 /nfs/dbraw/zinc/37/60/63/571376063.db2.gz SXIGKALKFGSRBE-LBXGSASVSA-N -1 3 519.201 6.444 40 10 KKCBHM CC(=O)NCCc1nc(N=Nc2ccc(Br)cc2)[n-]c1N=Nc1ccc(Br)cc1 ZINC000104182364 571376065 /nfs/dbraw/zinc/37/60/65/571376065.db2.gz SXIGKALKFGSRBE-LBXGSASVSA-N -1 3 519.201 6.444 40 10 KKCBHM COC(=O)[C@H](Cc1[n-]c(N=Nc2ccc(Br)cc2)nc1N=Nc1ccc(Br)cc1)NC(C)=O ZINC000104183526 571376219 /nfs/dbraw/zinc/37/62/19/571376219.db2.gz AJOHJTTUNAQXBF-BYXWBUOHSA-N -1 3 577.237 5.986 40 10 KKCBHM COC(=O)[C@H](Cc1nc(N=Nc2ccc(Br)cc2)[n-]c1N=Nc1ccc(Br)cc1)NC(C)=O ZINC000104183526 571376220 /nfs/dbraw/zinc/37/62/20/571376220.db2.gz AJOHJTTUNAQXBF-BYXWBUOHSA-N -1 3 577.237 5.986 40 10 KKCBHM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc4c(cc2Br)OCO4)N3)c1 ZINC000104645627 571381746 /nfs/dbraw/zinc/38/17/46/571381746.db2.gz ZLTCKLNSMATEIF-ANSQWYIGSA-N -1 3 539.451 6.114 40 10 KKCBHM COc1ccc(Br)cc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2[C@H]2C=CC[C@H]21 ZINC000104645543 571381785 /nfs/dbraw/zinc/38/17/85/571381785.db2.gz RBUJGHAIVLWLGF-UNVFRBQDSA-N -1 3 525.468 6.393 40 10 KKCBHM COc1ccc(Br)cc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2[C@H]2C=CC[C@H]21 ZINC000104645691 571381814 /nfs/dbraw/zinc/38/18/14/571381814.db2.gz MCWAGTCYUBHINA-UZINWLIJSA-N -1 3 525.468 6.393 40 10 KKCBHM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OCc4ccc([N+](=O)[O-])cc4)cc2)N3)c1 ZINC000104645631 571381836 /nfs/dbraw/zinc/38/18/36/571381836.db2.gz QVHIWFHYVGLPQY-NPLMNSEMSA-N -1 3 567.667 7.110 40 10 KKCBHM O=S(=O)([N-]c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000104646240 571381887 /nfs/dbraw/zinc/38/18/87/571381887.db2.gz KSKMTLQOHVXVCA-PVTPYKNESA-N -1 3 557.513 7.743 40 10 KKCBHM O=S(=O)([N-]c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000104646246 571381978 /nfs/dbraw/zinc/38/19/78/571381978.db2.gz QJZBSKIWUDLRFV-PVTPYKNESA-N -1 3 557.513 7.743 40 10 KKCBHM O=[N+]([O-])c1ccc(Cl)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104646790 571382109 /nfs/dbraw/zinc/38/21/09/571382109.db2.gz UNKSMQBZXIPOQG-GLDPYIMESA-N -1 3 516.406 6.529 40 10 KKCBHM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2 ZINC000104647537 571382225 /nfs/dbraw/zinc/38/22/25/571382225.db2.gz RMIQDDCAZCSCDT-ATLLOTDBSA-N -1 3 530.433 6.837 40 10 KKCBHM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 ZINC000104647607 571382350 /nfs/dbraw/zinc/38/23/50/571382350.db2.gz QAQNQNQFPUTIJD-ZDXGUKGBSA-N -1 3 573.896 6.767 40 10 KKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)c(Cl)c2)N3)cc1Cl ZINC000104647875 571382364 /nfs/dbraw/zinc/38/23/64/571382364.db2.gz OHMXFXLDKRDMHH-OSWQYVSFSA-N -1 3 519.881 7.583 40 10 KKCBHM O=[N+]([O-])c1ccc(Cl)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(Br)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104648016 571382366 /nfs/dbraw/zinc/38/23/66/571382366.db2.gz KLAKGKLUGFFFAQ-GLDPYIMESA-N -1 3 560.857 6.638 40 10 KKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(Br)c4)cc3[C@H]3C=CC[C@H]32)c(OC)c1 ZINC000104648055 571382502 /nfs/dbraw/zinc/38/25/02/571382502.db2.gz OBWFKIIYMAJUAP-UZINWLIJSA-N -1 3 541.467 6.094 40 10 KKCBHM O=[N+]([O-])c1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(Br)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104648101 571382548 /nfs/dbraw/zinc/38/25/48/571382548.db2.gz ONXWFVCLVXPRDJ-YZUZCNPQSA-N -1 3 526.412 5.985 40 10 KKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)c(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000104648745 571382622 /nfs/dbraw/zinc/38/26/22/571382622.db2.gz MOPKGGTUDUUIGM-YYULODDRSA-N -1 3 579.984 6.903 40 10 KKCBHM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)c(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104648644 571382645 /nfs/dbraw/zinc/38/26/45/571382645.db2.gz AXDZKUVQMSASAM-LZCXECNNSA-N -1 3 549.014 7.385 40 10 KKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)c(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104648637 571382651 /nfs/dbraw/zinc/38/26/51/571382651.db2.gz DDVLENSLDFXUHT-WZOHSFFVSA-N -1 3 534.987 6.995 40 10 KKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)c(OC)c1 ZINC000104648435 571382659 /nfs/dbraw/zinc/38/26/59/571382659.db2.gz BOUJBRRRWBBCEJ-UZINWLIJSA-N -1 3 530.568 6.350 40 10 KKCBHM COc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Oc5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)c1OC ZINC000104649309 571382840 /nfs/dbraw/zinc/38/28/40/571382840.db2.gz PRAZYRNRRFDBSK-HEHLMWRFSA-N -1 3 554.668 7.123 40 10 KKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Br)c2)N3)cc1OC ZINC000104649661 571382920 /nfs/dbraw/zinc/38/29/20/571382920.db2.gz AANNNWJUJVDDLE-LZCXECNNSA-N -1 3 541.467 6.094 40 10 KKCBHM CC(C)Oc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Oc5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104649356 571382987 /nfs/dbraw/zinc/38/29/87/571382987.db2.gz VCWNYAQPGPVQEI-AARCXHMLSA-N -1 3 552.696 7.893 40 10 KKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2Cl)N3)cc1OC ZINC000104649649 571383009 /nfs/dbraw/zinc/38/30/09/571383009.db2.gz CULXBLOQHVDICY-ANSQWYIGSA-N -1 3 531.461 6.638 40 10 KKCBHM O=S(=O)([N-]c1cccc2ccccc21)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000104650221 571383176 /nfs/dbraw/zinc/38/31/76/571383176.db2.gz BMYCIBPKBYFBBE-VYKTZEHYSA-N -1 3 531.475 7.230 40 10 KKCBHM O=S(=O)([N-]c1cccc(Br)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Br)N2 ZINC000104650485 571383286 /nfs/dbraw/zinc/38/32/86/571383286.db2.gz XPLUSEDEQRJJPR-GLDPYIMESA-N -1 3 560.311 6.839 40 10 KKCBHM O=S(=O)([N-]c1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(F)cccc1Cl)N2 ZINC000104650515 571383301 /nfs/dbraw/zinc/38/33/01/571383301.db2.gz LMQXAGJDLVGTQY-DXMSMQRWSA-N -1 3 557.396 7.779 40 10 KKCBHM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(F)cccc1Cl)N2 ZINC000104650506 571383315 /nfs/dbraw/zinc/38/33/15/571383315.db2.gz AFOCLDKCOOLXGE-RHGYRFJNSA-N -1 3 522.951 7.125 40 10 KKCBHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Br)N3)cc1 ZINC000104650532 571383341 /nfs/dbraw/zinc/38/33/41/571383341.db2.gz VMHIMHCOLGBFCF-UZINWLIJSA-N -1 3 525.468 6.475 40 10 KKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224592230 571582186 /nfs/dbraw/zinc/58/21/86/571582186.db2.gz NAXGIVDKUILUNI-JWQCQUIFSA-N -1 3 508.569 6.391 40 10 KKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cccc(Br)c1 ZINC000224603947 571584666 /nfs/dbraw/zinc/58/46/66/571584666.db2.gz PEZPUAFHUZCFDF-LOSJGSFVSA-N -1 3 519.468 6.134 40 10 KKCBHM COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c1C ZINC000224608107 571585534 /nfs/dbraw/zinc/58/55/34/571585534.db2.gz OAFLZWQUBWNXMR-CLJLJLNGSA-N -1 3 515.595 5.289 40 10 KKCBHM COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c1C ZINC000224609236 571585777 /nfs/dbraw/zinc/58/57/77/571585777.db2.gz KVHIMXUMHIKXBD-IZZNHLLZSA-N -1 3 515.595 5.289 40 10 KKCBHM COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c1C ZINC000224608942 571585782 /nfs/dbraw/zinc/58/57/82/571585782.db2.gz HYNNOHSSGLHXLS-CLJLJLNGSA-N -1 3 505.043 6.034 40 10 KKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224860552 571624124 /nfs/dbraw/zinc/62/41/24/571624124.db2.gz SACHDKGNUFBSCG-WDYNHAJCSA-N -1 3 560.123 5.862 40 10 KKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cc(Cl)ccc1O ZINC000224864339 571624546 /nfs/dbraw/zinc/62/45/46/571624546.db2.gz QHBIXDPASPTFMT-JWQCQUIFSA-N -1 3 525.461 6.384 40 10 KKCBHM CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c1C ZINC000224868732 571624928 /nfs/dbraw/zinc/62/49/28/571624928.db2.gz JMJCNCMUTJUJPS-RRPNLBNLSA-N -1 3 503.071 6.588 40 10 KKCBHM CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c1C ZINC000224868771 571624977 /nfs/dbraw/zinc/62/49/77/571624977.db2.gz JMJCNCMUTJUJPS-SVBPBHIXSA-N -1 3 503.071 6.588 40 10 KKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cccc(Br)c1 ZINC000224870327 571625147 /nfs/dbraw/zinc/62/51/47/571625147.db2.gz NPRZTTBCUWLFKX-RPBOFIJWSA-N -1 3 553.913 6.788 40 10 KKCBHM COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])c2C)c1 ZINC000224871022 571625190 /nfs/dbraw/zinc/62/51/90/571625190.db2.gz VJGQGVVHCFEPPK-CLJLJLNGSA-N -1 3 505.043 6.034 40 10 KKCBHM COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])c2C)cc1 ZINC000224871328 571625220 /nfs/dbraw/zinc/62/52/20/571625220.db2.gz WNVWZJGGHBLTKW-UIOOFZCWSA-N -1 3 505.043 6.034 40 10 KKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cccc(C)c1C ZINC000224872699 571625438 /nfs/dbraw/zinc/62/54/38/571625438.db2.gz CXLAJROPSHBYPJ-RRPNLBNLSA-N -1 3 503.071 6.642 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225416732 571783625 /nfs/dbraw/zinc/78/36/25/571783625.db2.gz FBSWHWWMSJCZEO-SVBPBHIXSA-N -1 3 615.703 6.065 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225416858 571783981 /nfs/dbraw/zinc/78/39/81/571783981.db2.gz FBSWHWWMSJCZEO-KAYWLYCHSA-N -1 3 615.703 6.065 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)ccc1[N-]S(C)(=O)=O ZINC000225420932 571788208 /nfs/dbraw/zinc/78/82/08/571788208.db2.gz YFJJSIFPEIXQFZ-SXOMAYOGSA-N -1 3 598.150 5.405 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)ccc1[N-]S(C)(=O)=O ZINC000225423828 571789799 /nfs/dbraw/zinc/78/97/99/571789799.db2.gz ZKVNLXLYFFSWLL-IOWSJCHKSA-N -1 3 597.766 6.200 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)ccc1[N-]S(C)(=O)=O ZINC000225423756 571789925 /nfs/dbraw/zinc/78/99/25/571789925.db2.gz ZKVNLXLYFFSWLL-CONSDPRKSA-N -1 3 597.766 6.200 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C)c2C)ccc1[N-]S(C)(=O)=O ZINC000225424460 571790488 /nfs/dbraw/zinc/79/04/88/571790488.db2.gz YGVVXGKUSKWEER-WUFINQPMSA-N -1 3 561.733 5.355 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3F)c2C)ccc1[N-]S(C)(=O)=O ZINC000225425449 571791439 /nfs/dbraw/zinc/79/14/39/571791439.db2.gz QNTOMNGWLMOERT-SXOMAYOGSA-N -1 3 565.696 5.185 40 10 KKCBHM COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc([N-]S(C)(=O)=O)c(OC)c3)c2C)c1 ZINC000225427331 571793893 /nfs/dbraw/zinc/79/38/93/571793893.db2.gz UARNNQQUZUKWCF-IZLXSDGUSA-N -1 3 577.732 5.055 40 10 KKCBHM CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc([N-]S(C)(=O)=O)c(OC)c3)c2C)cc1 ZINC000225428284 571795244 /nfs/dbraw/zinc/79/52/44/571795244.db2.gz PTVYNSPXEIHDPG-FIRIVFDPSA-N -1 3 618.829 5.893 40 10 KKCBHM CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc([N-]S(C)(=O)=O)c(OC)c3)c2C)cc1 ZINC000225428387 571795822 /nfs/dbraw/zinc/79/58/22/571795822.db2.gz PTVYNSPXEIHDPG-CONSDPRKSA-N -1 3 618.829 5.893 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)ccc1[N-]S(C)(=O)=O ZINC000225428431 571795826 /nfs/dbraw/zinc/79/58/26/571795826.db2.gz SGXCGGCVCQTPQV-SVBPBHIXSA-N -1 3 616.596 6.353 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225429810 571797466 /nfs/dbraw/zinc/79/74/66/571797466.db2.gz KEOSFBZEJYAGDZ-VMPREFPWSA-N -1 3 575.760 5.663 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)ccc1[N-]S(C)(=O)=O ZINC000225430952 571798326 /nfs/dbraw/zinc/79/83/26/571798326.db2.gz MCBAEDRELUNCAC-WUFINQPMSA-N -1 3 596.178 6.008 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)ccc1[N-]S(C)(=O)=O ZINC000225431349 571798989 /nfs/dbraw/zinc/79/89/89/571798989.db2.gz SMCJFULAOUJGQR-VSGBNLITSA-N -1 3 612.177 5.708 40 10 KKCBHM CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc([N-]S(C)(=O)=O)c(OC)c2)c1C ZINC000225431572 571799474 /nfs/dbraw/zinc/79/94/74/571799474.db2.gz ZFGKCQBXHVDVHA-PQHLKRTFSA-N -1 3 589.787 5.917 40 10 KKCBHM CCN(CC)c1cc2[nH]c(=O)[nH]c2cc1N=Cc1c(C)[n-]n(-c2c(Cl)cc(Cl)cc2Cl)c1=O ZINC000408530759 572172966 /nfs/dbraw/zinc/17/29/66/572172966.db2.gz JNUREDYMRJESOL-RAXLEYEMSA-N -1 3 507.809 5.793 40 10 KKCBHM COc1cc(/C=C2/SC([N-]C(C)=O)=NC2=O)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408531293 572175476 /nfs/dbraw/zinc/17/54/76/572175476.db2.gz PGQFQLGMIRDDGS-APSNUPSMSA-N -1 3 607.304 5.126 40 10 KKCBHM Cc1[n-]n(-c2cccc3ccccc32)c(=O)c1C=Nc1cc2c(cc1N1CCN(c3ccccc3)CC1)n(C)c(=O)n2C ZINC000408539079 572200481 /nfs/dbraw/zinc/20/04/81/572200481.db2.gz SLRBCXWSNXWEAN-QYQHSDTDSA-N -1 3 571.685 5.075 40 10 KKCBHM COc1cc(COc2ccc(Cl)cc2/C=C2\SC([N-]C(C)=O)=NC2=O)ccc1OCc1ccccc1 ZINC000408540508 572206217 /nfs/dbraw/zinc/20/62/17/572206217.db2.gz SQGHPVAWGVRFFH-AFUMVMLFSA-N -1 3 523.010 5.613 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3c[nH]c4ccc(Br)cc34)SC2=S)c(Cl)c1 ZINC000409141594 1070564510 /nfs/dbraw/zinc/56/45/10/1070564510.db2.gz ALUDDIQDNCRRPO-IDUWFGFVSA-N -1 3 506.834 5.438 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)c(Br)c3)SC2=S)c(Cl)c1 ZINC000409143846 1070571641 /nfs/dbraw/zinc/57/16/41/1070571641.db2.gz JCWHWVSPFJPNMK-UUYOSTAYSA-N -1 3 591.911 6.675 40 10 KKCBHM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409160303 1070575399 /nfs/dbraw/zinc/57/53/99/1070575399.db2.gz GCCZQBZGDKVQCZ-WSDLNYQXSA-N -1 3 638.392 7.198 40 10 KKCBHM Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C3\SC(=S)N([N-]C(=O)c4ccc(C)cc4Cl)C3=O)cc2)cc1 ZINC000409203991 1070629553 /nfs/dbraw/zinc/62/95/53/1070629553.db2.gz AXKPAOCCJNQTSZ-UCQKPKSFSA-N -1 3 580.087 5.299 40 10 KKCBHM CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1[O-] ZINC000409327785 1070828369 /nfs/dbraw/zinc/82/83/69/1070828369.db2.gz MWAAGYZFPYGNNQ-CHHVJCJISA-N -1 3 505.242 6.266 40 10 KKCBHM CCOc1cc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409338903 1070862071 /nfs/dbraw/zinc/86/20/71/1070862071.db2.gz QNWCLBJFJGNTDE-KSEXSDGBSA-N -1 3 686.864 8.242 40 10 KKCBHM CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC3CSC3)cc1)N2 ZINC000409003151 1071637677 /nfs/dbraw/zinc/63/76/77/1071637677.db2.gz YHZCTKLCMNESQS-BOCWGRARSA-N -1 3 518.704 6.371 40 10 KKCBHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(OC4CSC4)c2)N3)c1 ZINC000409002296 1071641278 /nfs/dbraw/zinc/64/12/78/1071641278.db2.gz ZOUDGTVXVATYDL-IWVFXYMLSA-N -1 3 518.704 6.425 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4)c4ccccc34)SC2=S)c(Cl)c1 ZINC000409328396 1072394099 /nfs/dbraw/zinc/39/40/99/1072394099.db2.gz UIVZLIALLUQBKH-CFRMEGHHSA-N -1 3 552.508 6.851 40 10 KKCBHM CCOc1cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc(Cl)c1[O-] ZINC000409346173 1072418022 /nfs/dbraw/zinc/41/80/22/1072418022.db2.gz NLUWZVCDEJWSHL-CHHVJCJISA-N -1 3 505.242 6.266 40 10 KKCBHM CCCOc1ccc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc1Br ZINC000409342858 1072447028 /nfs/dbraw/zinc/44/70/28/1072447028.db2.gz FQBQZZNSESSTNE-WQRHYEAKSA-N -1 3 525.877 5.746 40 10 KKCBHM O=S(=O)([N-]c1ccc(Br)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 ZINC000409337662 1072492304 /nfs/dbraw/zinc/49/23/04/1072492304.db2.gz XFDZXESYAHFGFY-CLCZQPDDSA-N -1 3 569.546 6.571 40 10 KKCBHM COc1cc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000409144673 1072533519 /nfs/dbraw/zinc/53/35/19/1072533519.db2.gz ZPJYOLSOAFKCAY-UCQKPKSFSA-N -1 3 568.076 5.221 40 10 KKCBHM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409144423 1072535345 /nfs/dbraw/zinc/53/53/45/1072535345.db2.gz LCOAZIOLVLEZAU-ZVHZXABRSA-N -1 3 584.075 6.081 40 10 KKCBHM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409143590 1072539665 /nfs/dbraw/zinc/53/96/65/1072539665.db2.gz GFAUEKLZFQOANN-WSDLNYQXSA-N -1 3 638.392 7.198 40 10 KKCBHM COc1cc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000409142554 1072547661 /nfs/dbraw/zinc/54/76/61/1072547661.db2.gz ASOIHXBXGGELBW-XKZIYDEJSA-N -1 3 559.496 6.436 40 10 KKCBHM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409141979 1072549669 /nfs/dbraw/zinc/54/96/69/1072549669.db2.gz OZFHUHKNSYUEFI-ZVHZXABRSA-N -1 3 582.103 5.529 40 10 KKCBHM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409139687 1072563420 /nfs/dbraw/zinc/56/34/20/1072563420.db2.gz CXRWTQUBSPJCTN-FOKLQQMPSA-N -1 3 648.944 6.453 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)SC2=S)c(Cl)c1 ZINC000409149943 1072632556 /nfs/dbraw/zinc/63/25/56/1072632556.db2.gz WFYNYANLZYICDK-XKZIYDEJSA-N -1 3 540.022 5.682 40 10 KKCBHM CCCOc1c(I)cc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc1OCC ZINC000409149798 1072633510 /nfs/dbraw/zinc/63/35/10/1072633510.db2.gz RDUCVXYCEUUACR-UNOMPAQXSA-N -1 3 616.930 5.987 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccc(OCc4ccccc4F)cc3)SC2=S)c(Cl)c1 ZINC000409149683 1072635061 /nfs/dbraw/zinc/63/50/61/1072635061.db2.gz NDLZQWXQNOXAGC-LPYMAVHISA-N -1 3 513.015 5.913 40 10 KKCBHM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c([O-])c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186243 1072762274 /nfs/dbraw/zinc/76/22/74/1072762274.db2.gz ZIYVHHGFJJOQEB-CZUMTRSGSA-N -1 3 686.628 6.947 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3cn(CC(=O)Nc4ccc5c(c4)OCO5)c4ccccc34)SC2=S)c(Cl)c1 ZINC000409182195 1072792383 /nfs/dbraw/zinc/79/23/83/1072792383.db2.gz JEMFIYDUGKZVPL-GATIEOLUSA-N -1 3 605.097 5.517 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3cc([N+](=O)[O-])c(Cl)cc3Cl)SC2=S)c(Cl)c1 ZINC000409202561 1072913541 /nfs/dbraw/zinc/91/35/41/1072913541.db2.gz ULAKPRXRNXRVRE-UUASQNMZSA-N -1 3 502.788 5.410 40 10 KKCBHM CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)c1[O-] ZINC000011867631 553348084 /nfs/dbraw/zinc/34/80/84/553348084.db2.gz XJUAUFBIRJPXFZ-PKOBYXMFSA-N -1 3 525.630 5.119 40 10 KKCBHM CCOC(=O)c1c(C)n(Cc2ccccc2)c2cc(Br)c([O-])c(CN3CCC(C(=O)OCC)(c4ccccc4)CC3)c21 ZINC000100223532 554252395 /nfs/dbraw/zinc/25/23/95/554252395.db2.gz PYVFVBNCBOALLV-UHFFFAOYSA-N -1 3 633.583 6.740 40 10 KKCBHM Cc1ccc(Sc2ccc(/C=C3\SC(=S)N([N-]C(=O)c4ccc(C)cc4Cl)C3=O)cc2[N+](=O)[O-])cc1 ZINC000100369505 554355569 /nfs/dbraw/zinc/35/55/69/554355569.db2.gz BWRUJAUJVSWWSY-XKZIYDEJSA-N -1 3 556.090 6.562 40 10 KKCBHM CC(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(Cl)cccc2Cl)N3)cc1 ZINC000058846795 554366446 /nfs/dbraw/zinc/36/64/46/554366446.db2.gz BZURGKICVRDYTO-ISCCLHIJSA-N -1 3 513.490 7.744 40 10 KKCBHM CC(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Br)cc2)N3)cc1 ZINC000058846791 554366495 /nfs/dbraw/zinc/36/64/95/554366495.db2.gz WVDMUCXNZTUFGS-CLCZQPDDSA-N -1 3 523.496 7.200 40 10 KKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C(C)C)cc4)cc3[C@H]3C=CC[C@H]32)c(OC)c1 ZINC000058846817 554366528 /nfs/dbraw/zinc/36/65/28/554366528.db2.gz NYHNZLSZPXQIDV-IRYADYCUSA-N -1 3 504.652 6.455 40 10 KKCBHM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000058847525 554366689 /nfs/dbraw/zinc/36/66/89/554366689.db2.gz KXGUHQXNEKDBLS-GLDPYIMESA-N -1 3 505.854 7.274 40 10 KKCBHM O=S(=O)([N-]c1cccc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000058847399 554366832 /nfs/dbraw/zinc/36/68/32/554366832.db2.gz AEHQZRYBOCVFQE-YZUZCNPQSA-N -1 3 515.860 6.730 40 10 KKCBHM COc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058847857 554367362 /nfs/dbraw/zinc/36/73/62/554367362.db2.gz MGQXLOUIJCRLMB-SGIRGMQISA-N -1 3 501.435 6.629 40 10 KKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4C)cc3[C@H]3C=CC[C@H]32)cc1OC ZINC000058847937 554367440 /nfs/dbraw/zinc/36/74/40/554367440.db2.gz SJBGRDLFQKMCPO-ASHZAFPQSA-N -1 3 511.043 6.293 40 10 KKCBHM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC(C)C)cc1)N2 ZINC000058848181 554367739 /nfs/dbraw/zinc/36/77/39/554367739.db2.gz OIUNTQGVIDFOAM-VYKTZEHYSA-N -1 3 509.071 7.063 40 10 KKCBHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(OC)c2OC)N3)cc1 ZINC000058848645 554368030 /nfs/dbraw/zinc/36/80/30/554368030.db2.gz CKDUYWRLOHRTBC-XXAUWVGASA-N -1 3 506.624 5.730 40 10 KKCBHM O=[N+]([O-])c1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058848400 554368050 /nfs/dbraw/zinc/36/80/50/554368050.db2.gz WGECJIUVIBTUOS-YZUZCNPQSA-N -1 3 515.513 6.241 40 10 KKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N3)cc1 ZINC000058848456 554368063 /nfs/dbraw/zinc/36/80/63/554368063.db2.gz UAWQKDWFZLNTOL-DFIYOIEZSA-N -1 3 511.987 5.884 40 10 KKCBHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC)c([N+](=O)[O-])c2)N3)cc1 ZINC000058848672 554368243 /nfs/dbraw/zinc/36/82/43/554368243.db2.gz XKSJKTJHFKCHCH-OREGWCPLSA-N -1 3 521.595 5.629 40 10 KKCBHM COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Br)N3)c1 ZINC000058850287 554369673 /nfs/dbraw/zinc/36/96/73/554369673.db2.gz SQUIQUKBFIEPEX-DFIYOIEZSA-N -1 3 511.441 6.085 40 10 KKCBHM COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058850089 554369726 /nfs/dbraw/zinc/36/97/26/554369726.db2.gz WRCHPJXCSNGGJD-BBANNHEPSA-N -1 3 512.631 6.484 40 10 KKCBHM CCOc1ccc(-n2c(=O)c(N=Nc3ccccc3Cl)c([O-])n(-c3ccc(Br)cc3)c2=S)cc1 ZINC000104204572 571376878 /nfs/dbraw/zinc/37/68/78/571376878.db2.gz VTXWFPZTURPBJI-DQSJHHFOSA-N -1 3 557.857 7.293 40 10 KKCBHM CCOc1ccc(-n2c([O-])c(N=Nc3ccccc3Cl)c(=O)n(-c3ccc(Br)cc3)c2=S)cc1 ZINC000104204572 571376879 /nfs/dbraw/zinc/37/68/79/571376879.db2.gz VTXWFPZTURPBJI-DQSJHHFOSA-N -1 3 557.857 7.293 40 10 KKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OCc4ccc([N+](=O)[O-])cc4)cc2)N3)cc1C ZINC000104646059 571381810 /nfs/dbraw/zinc/38/18/10/571381810.db2.gz HBHNFHBIKCDRSC-AARCXHMLSA-N -1 3 581.694 7.418 40 10 KKCBHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 ZINC000104646003 571381828 /nfs/dbraw/zinc/38/18/28/571381828.db2.gz BZDRKSHGZYHGBM-CUMRGQLISA-N -1 3 553.478 6.422 40 10 KKCBHM O=S(=O)([N-]c1ccccc1F)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 ZINC000104646462 571381956 /nfs/dbraw/zinc/38/19/56/571381956.db2.gz UHZXJSACZIHQOF-RVFQGNMQSA-N -1 3 543.414 5.944 40 10 KKCBHM O=[N+]([O-])c1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(-c5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104646313 571381964 /nfs/dbraw/zinc/38/19/64/571381964.db2.gz NTVPIUDHOVFICC-PVTPYKNESA-N -1 3 523.614 6.889 40 10 KKCBHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OCc4ccc([N+](=O)[O-])cc4)cc2)N3)c1 ZINC000104646124 571381980 /nfs/dbraw/zinc/38/19/80/571381980.db2.gz OCCARKZDASDEMO-AARCXHMLSA-N -1 3 581.694 7.418 40 10 KKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3[C@H]3C=CC[C@H]32)c(OC)c1 ZINC000104647420 571382194 /nfs/dbraw/zinc/38/21/94/571382194.db2.gz DIGJISBIXCIJDD-UZINWLIJSA-N -1 3 531.461 6.638 40 10 KKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OCc4ccc([N+](=O)[O-])cc4)cc2)N3)cc1Cl ZINC000104647980 571382314 /nfs/dbraw/zinc/38/23/14/571382314.db2.gz YSWDZDHNWBMOAP-YUXUKGBOSA-N -1 3 602.112 7.763 40 10 KKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000104647963 571382358 /nfs/dbraw/zinc/38/23/58/571382358.db2.gz XQAYHAMSTHKVCC-OUDXUNEISA-N -1 3 526.014 6.193 40 10 KKCBHM O=[N+]([O-])c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(Br)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104648107 571382544 /nfs/dbraw/zinc/38/25/44/571382544.db2.gz IMZXVSYNONJRGX-YZUZCNPQSA-N -1 3 526.412 5.985 40 10 KKCBHM O=[N+]([O-])c1ccccc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2[C@H]2C=CC[C@H]21 ZINC000104648698 571382612 /nfs/dbraw/zinc/38/26/12/571382612.db2.gz LMKFDWLLRBATRC-SRGWNRLKSA-N -1 3 549.958 6.894 40 10 KKCBHM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 ZINC000104648509 571382630 /nfs/dbraw/zinc/38/26/30/571382630.db2.gz PRLZSXUPNJWZCH-ATLLOTDBSA-N -1 3 593.421 6.824 40 10 KKCBHM O=[N+]([O-])c1ccc(Cl)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)c(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104648593 571382637 /nfs/dbraw/zinc/38/26/37/571382637.db2.gz ZGOCOBVRSRPVMH-SRGWNRLKSA-N -1 3 584.403 7.548 40 10 KKCBHM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000104648414 571382647 /nfs/dbraw/zinc/38/26/47/571382647.db2.gz LTGKWDLIOBKELL-YZUZCNPQSA-N -1 3 549.412 7.095 40 10 KKCBHM O=S(=O)([N-]c1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000104648716 571382653 /nfs/dbraw/zinc/38/26/53/571382653.db2.gz RFPQBUNPPOBAIZ-SRGWNRLKSA-N -1 3 572.958 8.005 40 10 KKCBHM O=[N+]([O-])c1ccc(COc2ccc([C@H]3Nc4ccc(S(=O)(=O)[N-]c5cccc(C(F)(F)F)c5)cc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000104648513 571382679 /nfs/dbraw/zinc/38/26/79/571382679.db2.gz SXLULKHHOODNOS-WTNLLYQRSA-N -1 3 621.637 7.820 40 10 KKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Oc5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)c(OC)c1 ZINC000104649289 571382764 /nfs/dbraw/zinc/38/27/64/571382764.db2.gz CLHDCFTZELBNLU-XKVZAPNPSA-N -1 3 554.668 7.123 40 10 KKCBHM COc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Oc5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104649273 571382827 /nfs/dbraw/zinc/38/28/27/571382827.db2.gz WKQTXYFKVIPUNP-WTNLLYQRSA-N -1 3 524.642 7.115 40 10 KKCBHM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Oc5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000104649385 571382916 /nfs/dbraw/zinc/38/29/16/571382916.db2.gz HLHMBMJLRNAXEB-BHZGVWCHSA-N -1 3 582.722 7.904 40 10 KKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Br)cc2)N3)cc1OC ZINC000104649667 571382924 /nfs/dbraw/zinc/38/29/24/571382924.db2.gz UESGIXNZCUUDGI-LZCXECNNSA-N -1 3 541.467 6.094 40 10 KKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Oc5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000104649378 571382991 /nfs/dbraw/zinc/38/29/91/571382991.db2.gz MIYPYTDOUHHQFT-ADRXYBOHSA-N -1 3 569.639 7.023 40 10 KKCBHM O=S(=O)([N-]c1ccc(Br)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(F)cccc1Cl)N2 ZINC000104650489 571383298 /nfs/dbraw/zinc/38/32/98/571383298.db2.gz RZHOUVMCAJWQIU-RHGYRFJNSA-N -1 3 533.850 6.869 40 10 KKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Br)N3)cc1OC ZINC000104650586 571383320 /nfs/dbraw/zinc/38/33/20/571383320.db2.gz CJKZNTQQBFVEND-ANSQWYIGSA-N -1 3 541.467 6.094 40 10 KKCBHM Cc1[n-]n(-c2ccccc2)c(=S)c1C(=Nc1ccccc1-c1ccccc1NC(=C1C(C)=NN(c2ccccc2)C1=S)c1ccccc1)c1ccccc1 ZINC000150373572 571466111 /nfs/dbraw/zinc/46/61/11/571466111.db2.gz XELRSFDCAPKMTQ-SHLALKERSA-N -1 3 736.970 11.447 40 10 KKCBHM O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)Nc3cc(Cl)ccc3O)C2=O)SC1=S)Nc1cc(Cl)ccc1[O-] ZINC000150469648 571508826 /nfs/dbraw/zinc/50/88/26/571508826.db2.gz QWUDSVPIBRNWJK-QURGRASLSA-N -1 3 685.658 5.474 40 10 KKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224592319 571582203 /nfs/dbraw/zinc/58/22/03/571582203.db2.gz NAXGIVDKUILUNI-LOSJGSFVSA-N -1 3 508.569 6.391 40 10 KKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224592525 571582344 /nfs/dbraw/zinc/58/23/44/571582344.db2.gz ZNMOILCAKVZCRW-URLMMPGGSA-N -1 3 525.678 5.208 40 10 KKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccccc1C(F)(F)F ZINC000224601765 571584211 /nfs/dbraw/zinc/58/42/11/571584211.db2.gz CPQMABGERWPBIB-JWQCQUIFSA-N -1 3 508.569 6.391 40 10 KKCBHM CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])c2C)cc1 ZINC000224606111 571585076 /nfs/dbraw/zinc/58/50/76/571585076.db2.gz MWYSEPPMWLJDEX-VMPREFPWSA-N -1 3 511.695 6.218 40 10 KKCBHM COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c1C ZINC000224608990 571585806 /nfs/dbraw/zinc/58/58/06/571585806.db2.gz HYNNOHSSGLHXLS-FTJBHMTQSA-N -1 3 505.043 6.034 40 10 KKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224860451 571624095 /nfs/dbraw/zinc/62/40/95/571624095.db2.gz XWDLURNTTHMAJU-DQEYMECFSA-N -1 3 543.014 7.044 40 10 KKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cccc2ccccc21 ZINC000224867334 571624814 /nfs/dbraw/zinc/62/48/14/571624814.db2.gz WIHMDYOWTPRGOV-URLMMPGGSA-N -1 3 525.077 7.178 40 10 KKCBHM CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])c2C)cc1 ZINC000224868830 571624921 /nfs/dbraw/zinc/62/49/21/571624921.db2.gz KRHMJFVWLZJDDJ-KAYWLYCHSA-N -1 3 503.071 6.588 40 10 KKCBHM COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c1C ZINC000224886353 571626732 /nfs/dbraw/zinc/62/67/32/571626732.db2.gz LHULXARDKMHEDD-IZZNHLLZSA-N -1 3 533.053 5.812 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)ccc1[N-]S(C)(=O)=O ZINC000225417897 571785148 /nfs/dbraw/zinc/78/51/48/571785148.db2.gz QPQKGLBOJAMLLO-SXOMAYOGSA-N -1 3 563.749 5.271 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3F)c2C)ccc1[N-]S(C)(=O)=O ZINC000225425488 571791492 /nfs/dbraw/zinc/79/14/92/571791492.db2.gz QNTOMNGWLMOERT-RRPNLBNLSA-N -1 3 565.696 5.185 40 10 KKCBHM CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc([N-]S(C)(=O)=O)c(OC)c2)c1C ZINC000225425102 571791643 /nfs/dbraw/zinc/79/16/43/571791643.db2.gz QBMZKSZWOVUCKW-WDYNHAJCSA-N -1 3 575.760 5.609 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225425753 571791970 /nfs/dbraw/zinc/79/19/70/571791970.db2.gz BJQLHHHQQJJIDV-SVBPBHIXSA-N -1 3 565.696 5.185 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(F)c3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225425653 571792002 /nfs/dbraw/zinc/79/20/02/571792002.db2.gz PWIPUORJFLBKHN-RRPNLBNLSA-N -1 3 565.696 5.185 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Br)c2C)ccc1[N-]S(C)(=O)=O ZINC000225426490 571792916 /nfs/dbraw/zinc/79/29/16/571792916.db2.gz JUQJBSIPFIGCAX-SXOMAYOGSA-N -1 3 626.602 5.809 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225426818 571793553 /nfs/dbraw/zinc/79/35/53/571793553.db2.gz CLRLLRYBCQIJCA-SXOMAYOGSA-N -1 3 626.602 5.809 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225428200 571795157 /nfs/dbraw/zinc/79/51/57/571795157.db2.gz OCSVDXCEUMUMSO-URLMMPGGSA-N -1 3 590.775 5.112 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)ccc1[N-]S(C)(=O)=O ZINC000225429482 571796990 /nfs/dbraw/zinc/79/69/90/571796990.db2.gz QORJCYVSKGCVEM-WDYNHAJCSA-N -1 3 575.760 5.663 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)ccc1[N-]S(C)(=O)=O ZINC000225429629 571797144 /nfs/dbraw/zinc/79/71/44/571797144.db2.gz ZAXIGLCVAKGPII-YTMVLYRLSA-N -1 3 575.760 5.663 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)ccc1[N-]S(C)(=O)=O ZINC000225430872 571798402 /nfs/dbraw/zinc/79/84/02/571798402.db2.gz MCBAEDRELUNCAC-NSOVKSMOSA-N -1 3 596.178 6.008 40 10 KKCBHM Cc1[n-]n(-c2c(Cl)cc(Cl)cc2Cl)c(=O)c1C=Nc1cc2c(cc1N1CCCC1)n(C)c(=O)n2C ZINC000408531586 572176705 /nfs/dbraw/zinc/17/67/05/572176705.db2.gz KUDXGVRGMVPOJE-QINSGFPZSA-N -1 3 533.847 5.156 40 10 KKCBHM Cc1[n-]n(-c2cc(Cl)ccc2Cl)c(=O)c1C=Nc1cc2c(cc1N1CCN(c3ccccc3)CC1)n(C)c(=O)n2C ZINC000408534440 572186183 /nfs/dbraw/zinc/18/61/83/572186183.db2.gz QVWSGFCSUMQSHA-PYCFMQQDSA-N -1 3 590.515 5.229 40 10 KKCBHM Cc1[n-]n(-c2c(Cl)cc(Cl)cc2Cl)c(=O)c1C=Nc1cc2c(cc1N1CCN(c3ccccc3)CC1)n(C)c(=O)n2C ZINC000408537246 572193720 /nfs/dbraw/zinc/19/37/20/572193720.db2.gz ZSWXMXCEEWCAMU-FXBPSFAMSA-N -1 3 624.960 5.882 40 10 KKCBHM CCOc1cc(COc2ccccc2/C=C2\SC([N-]C(C)=O)=NC2=O)ccc1OCc1ccccc1 ZINC000408540316 572205475 /nfs/dbraw/zinc/20/54/75/572205475.db2.gz PZEAMEYFAQSTDX-WGOQTCKBSA-N -1 3 502.592 5.350 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)cc3)SC2=S)c(Cl)c1 ZINC000409142443 1070560546 /nfs/dbraw/zinc/56/05/46/1070560546.db2.gz DEOZNOGXAHZROR-LPYMAVHISA-N -1 3 529.470 6.427 40 10 KKCBHM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409147308 1070565594 /nfs/dbraw/zinc/56/55/94/1070565594.db2.gz VRNYNPLISHQRQX-YDZHTSKRSA-N -1 3 699.419 7.430 40 10 KKCBHM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000409142874 1070570669 /nfs/dbraw/zinc/57/06/69/1070570669.db2.gz DFWKFKKHPHWKMQ-OGLMXYFKSA-N -1 3 589.138 7.326 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3cn(Cc4ccccc4Cl)c4ccccc34)SC2=S)c(Cl)c1 ZINC000409162085 1070580751 /nfs/dbraw/zinc/58/07/51/1070580751.db2.gz RFHLWIGWIHZHOX-ZMOGYAJESA-N -1 3 552.508 6.851 40 10 KKCBHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC4CSC4)cc2)N3)c1 ZINC000408998404 1071659692 /nfs/dbraw/zinc/65/96/92/1071659692.db2.gz UKBAXCRMAQREHP-BOCWGRARSA-N -1 3 518.704 6.425 40 10 KKCBHM O=S(=O)([N-]c1cccc(Br)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 ZINC000409333947 1072350697 /nfs/dbraw/zinc/35/06/97/1072350697.db2.gz GHJUVEVSARHEJZ-CLCZQPDDSA-N -1 3 569.546 6.571 40 10 KKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(OC4CSC4)c2)N3)cc1Cl ZINC000409337319 1072408595 /nfs/dbraw/zinc/40/85/95/1072408595.db2.gz TZVIPLWWBXUZKC-VYKTZEHYSA-N -1 3 539.122 6.770 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])SC2=S)c(Cl)c1 ZINC000409144439 1072535378 /nfs/dbraw/zinc/53/53/78/1072535378.db2.gz YMUCDEDHDRUGFP-SRZZPIQSSA-N -1 3 570.992 5.803 40 10 KKCBHM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409145990 1072584148 /nfs/dbraw/zinc/58/41/48/1072584148.db2.gz REAHRLXOHZCLEM-FSJBWODESA-N -1 3 686.864 8.242 40 10 KKCBHM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409145860 1072585590 /nfs/dbraw/zinc/58/55/90/1072585590.db2.gz QGHXQKKWWUITCT-LPYMAVHISA-N -1 3 603.947 6.545 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3cccc(OCc4ccc(Cl)cc4Cl)c3)SC2=S)c(Cl)c1 ZINC000409145284 1072588734 /nfs/dbraw/zinc/58/87/34/1072588734.db2.gz NIJVLVYBKJDPQG-SSDVNMTOSA-N -1 3 563.915 7.080 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)SC2=S)c(Cl)c1 ZINC000409145028 1072590631 /nfs/dbraw/zinc/59/06/31/1072590631.db2.gz MMTXNATUWLTXLL-LPYMAVHISA-N -1 3 540.022 5.682 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)SC2=S)c(Cl)c1 ZINC000409150042 1072630933 /nfs/dbraw/zinc/63/09/33/1072630933.db2.gz YTXUDNUPOKDTFT-LPYMAVHISA-N -1 3 540.022 5.682 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccc(OCCOc4ccccc4)cc3)SC2=S)c(Cl)c1 ZINC000409149493 1072636103 /nfs/dbraw/zinc/63/61/03/1072636103.db2.gz HWTKBFGIRHVBBB-XQNSMLJCSA-N -1 3 525.051 5.652 40 10 KKCBHM CCOc1cc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409162478 1072670147 /nfs/dbraw/zinc/67/01/47/1072670147.db2.gz VQCRIAGTLJNYHT-MYYYXRDXSA-N -1 3 596.130 5.919 40 10 KKCBHM COc1cc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCc1cccc(C)c1 ZINC000409161680 1072676711 /nfs/dbraw/zinc/67/67/11/1072676711.db2.gz OUJYYZXMMXZISG-OYKKKHCWSA-N -1 3 539.078 6.091 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)SC2=S)c(Cl)c1 ZINC000409160685 1072680968 /nfs/dbraw/zinc/68/09/68/1072680968.db2.gz HWKADBZJVNUAGG-RGVLZGJSSA-N -1 3 513.984 5.671 40 10 KKCBHM O=S(=O)([N-]c1c(Cl)cc(NS(=O)(=O)c2ccccc2)c(Cl)c1S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000001583207 551685281 /nfs/dbraw/zinc/68/52/81/551685281.db2.gz YRUPSQADLMNYJY-UHFFFAOYSA-N -1 3 597.523 5.428 40 10 KKCBHM Cc1c(Cl)cccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1cc(Br)ccc1O ZINC000009281964 553233542 /nfs/dbraw/zinc/23/35/42/553233542.db2.gz SWMUVSSUYHLGER-VSKRKVRLSA-N -1 3 513.775 5.168 40 10 KKCBHM CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(Br)ccc1[O-] ZINC000014406689 553515626 /nfs/dbraw/zinc/51/56/26/553515626.db2.gz JXMMOCQOSBPVTG-BOPFTXTBSA-N -1 3 507.178 5.185 40 10 KKCBHM O=C(NC(=S)[N-]c1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000035080445 554034391 /nfs/dbraw/zinc/03/43/91/554034391.db2.gz MULKFWKJNKDAOE-UHFFFAOYSA-N -1 3 505.939 5.866 40 10 KKCBHM COc1ccc(Br)cc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[C@H]2C=CC[C@H]21 ZINC000058845641 554366006 /nfs/dbraw/zinc/36/60/06/554366006.db2.gz VDRSQZSHQRPRCX-DFIYOIEZSA-N -1 3 511.441 6.085 40 10 KKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(C)c4)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000058846583 554366500 /nfs/dbraw/zinc/36/65/00/554366500.db2.gz CIBZNBGZEKSXOH-OREGWCPLSA-N -1 3 505.596 5.848 40 10 KKCBHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Br)c2)N3)c1 ZINC000058846639 554366490 /nfs/dbraw/zinc/36/64/90/554366490.db2.gz KXFZTXZMBAUXCE-PPJWLVRDSA-N -1 3 509.469 6.693 40 10 KKCBHM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccccc4F)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000058847043 554366643 /nfs/dbraw/zinc/36/66/43/554366643.db2.gz KSSZBMOUPMKWEX-BALWLHIASA-N -1 3 508.615 6.250 40 10 KKCBHM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000058847170 554366653 /nfs/dbraw/zinc/36/66/53/554366653.db2.gz WQXJBVQTICTTBC-SXDGJLEOSA-N -1 3 508.615 6.250 40 10 KKCBHM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2 ZINC000058847535 554366756 /nfs/dbraw/zinc/36/67/56/554366756.db2.gz JSCZFIJYCJASHG-RHGYRFJNSA-N -1 3 505.854 7.274 40 10 KKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4C)cc3[C@H]3C=CC[C@H]32)c(OC)c1 ZINC000058848038 554367243 /nfs/dbraw/zinc/36/72/43/554367243.db2.gz RRXYIWSFEBIRBO-ISCCLHIJSA-N -1 3 511.043 6.293 40 10 KKCBHM O=S(=O)([N-]c1cccc(Br)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000058848301 554367603 /nfs/dbraw/zinc/36/76/03/554367603.db2.gz UZMNMCOSLITSQZ-YZUZCNPQSA-N -1 3 515.860 6.730 40 10 KKCBHM O=S(=O)([N-]c1ccc(Br)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000058848347 554367637 /nfs/dbraw/zinc/36/76/37/554367637.db2.gz AIJZAHIQEHJXJF-YZUZCNPQSA-N -1 3 515.860 6.730 40 10 KKCBHM COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(F)(F)F)N3)c1 ZINC000058848832 554368339 /nfs/dbraw/zinc/36/83/39/554368339.db2.gz ZOTGLVLHHANJMH-DFIYOIEZSA-N -1 3 500.542 6.341 40 10 KKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(OC)c(OC)c4)cc3[C@H]3C=CC[C@H]32)c(OC)c1 ZINC000058849538 554369035 /nfs/dbraw/zinc/36/90/35/554369035.db2.gz IQFWIDONTIRZBR-GTNJKRJXSA-N -1 3 522.623 5.348 40 10 KKCBHM COc1cc(Br)c(Br)c(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c1[O-] ZINC000101090263 554581659 /nfs/dbraw/zinc/58/16/59/554581659.db2.gz VNEVIEAYUQHODV-VGOFMYFVSA-N -1 3 515.248 5.327 40 10 KKCBHM COc1ccc(Br)cc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2[C@H]2C=CC[C@H]21 ZINC000104646044 571381794 /nfs/dbraw/zinc/38/17/94/571381794.db2.gz BUSALCLRCRJHFO-XXAUWVGASA-N -1 3 539.495 6.702 40 10 KKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OCc4ccc([N+](=O)[O-])cc4)cc2)N3)cc1 ZINC000104645706 571381832 /nfs/dbraw/zinc/38/18/32/571381832.db2.gz PHSCEOULUIFXAO-NPLMNSEMSA-N -1 3 567.667 7.110 40 10 KKCBHM O=[N+]([O-])c1ccc(Cl)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104646700 571381874 /nfs/dbraw/zinc/38/18/74/571381874.db2.gz YVNCOVZYYHKSRJ-GLDPYIMESA-N -1 3 516.406 6.529 40 10 KKCBHM O=[N+]([O-])c1ccc(COc2ccc([C@H]3Nc4ccc(S(=O)(=O)[N-]c5cccc(Cl)c5)cc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000104646765 571381891 /nfs/dbraw/zinc/38/18/91/571381891.db2.gz LSNLMHDUCWGJQL-WTNLLYQRSA-N -1 3 588.085 7.455 40 10 KKCBHM COc1cc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C(C)C)cc4)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000104646171 571381899 /nfs/dbraw/zinc/38/18/99/571381899.db2.gz PWNZVNIXWZFPFO-CTVOUCONSA-N -1 3 534.678 6.463 40 10 KKCBHM O=S(=O)([N-]c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000104646325 571381920 /nfs/dbraw/zinc/38/19/20/571381920.db2.gz CLSRPIVYXZTGNU-FVXXUCQHSA-N -1 3 546.614 8.000 40 10 KKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(-c5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)cc1OC ZINC000104646286 571381969 /nfs/dbraw/zinc/38/19/69/571381969.db2.gz OQQONJFVVQBSDO-PYYUSEHKSA-N -1 3 538.669 6.998 40 10 KKCBHM COc1ccc(Br)cc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2[C@H]2C=CC[C@H]21 ZINC000104647495 571382139 /nfs/dbraw/zinc/38/21/39/571382139.db2.gz VGHSNXHGNWIUSR-DFIYOIEZSA-N -1 3 580.331 7.392 40 10 KKCBHM O=[N+]([O-])c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104647469 571382165 /nfs/dbraw/zinc/38/21/65/571382165.db2.gz AUSJHAUQYUDLGN-YZUZCNPQSA-N -1 3 516.406 6.529 40 10 KKCBHM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000104647384 571382200 /nfs/dbraw/zinc/38/22/00/571382200.db2.gz WDXGGLSEQNDUNI-GLDPYIMESA-N -1 3 540.299 7.928 40 10 KKCBHM O=[N+]([O-])c1ccccc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2[C@H]2C=CC[C@H]21 ZINC000104647458 571382227 /nfs/dbraw/zinc/38/22/27/571382227.db2.gz ZEUZRZUXARVQNB-GLDPYIMESA-N -1 3 516.406 6.529 40 10 KKCBHM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 ZINC000104647855 571382360 /nfs/dbraw/zinc/38/23/60/571382360.db2.gz JXVRKXXVLSTZTA-DFXHWTJYSA-N -1 3 573.896 6.767 40 10 KKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(Cl)cccc2Cl)N3)cc1Cl ZINC000104647914 571382373 /nfs/dbraw/zinc/38/23/73/571382373.db2.gz WELQAPUAMLJHAX-ATLLOTDBSA-N -1 3 519.881 7.583 40 10 KKCBHM O=S(=O)([N-]c1cccc(Br)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000104648112 571382437 /nfs/dbraw/zinc/38/24/37/571382437.db2.gz ATCRTNLOORZQEV-GLDPYIMESA-N -1 3 549.412 7.095 40 10 KKCBHM COc1ccc(Br)cc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3cccc(Br)c3)cc2[C@H]2C=CC[C@H]21 ZINC000104648131 571382459 /nfs/dbraw/zinc/38/24/59/571382459.db2.gz TXCPMJMTICNAQJ-DFIYOIEZSA-N -1 3 590.337 6.848 40 10 KKCBHM COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(Br)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104648088 571382474 /nfs/dbraw/zinc/38/24/74/571382474.db2.gz WOSICLXMSWBLSX-SGIRGMQISA-N -1 3 539.451 5.863 40 10 KKCBHM O=S(=O)([N-]c1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2 ZINC000104648614 571382624 /nfs/dbraw/zinc/38/26/24/571382624.db2.gz JOEVUTZAUICVLL-DXMSMQRWSA-N -1 3 573.851 8.293 40 10 KKCBHM CC(C)Oc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)c(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104648729 571382643 /nfs/dbraw/zinc/38/26/43/571382643.db2.gz FJCRQIVOHAIVHR-OREGWCPLSA-N -1 3 563.041 7.773 40 10 KKCBHM O=S(=O)([N-]c1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000104649215 571382851 /nfs/dbraw/zinc/38/28/51/571382851.db2.gz HVEPCKOJTGFMRI-PVTPYKNESA-N -1 3 529.061 7.760 40 10 KKCBHM O=S(=O)([N-]c1cccc2ccccc21)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000104650203 571383152 /nfs/dbraw/zinc/38/31/52/571383152.db2.gz GSFQAINSKYFMCW-TYPXCFOJSA-N -1 3 521.469 7.774 40 10 KKCBHM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(F)cccc1Cl)N2 ZINC000104650434 571383311 /nfs/dbraw/zinc/38/33/11/571383311.db2.gz NGNZGSBZCPFJSH-RHGYRFJNSA-N -1 3 523.844 7.413 40 10 KKCBHM O=[N+]([O-])c1ccc(COc2ccc([C@H]3Nc4ccc(S(=O)(=O)[N-]c5ccc(Oc6ccccc6)cc5)cc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000164477756 571548802 /nfs/dbraw/zinc/54/88/02/571548802.db2.gz WTCBJKPZHRYNTE-YTFBDJPQSA-N -1 3 645.737 8.593 40 10 KKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224592364 571582166 /nfs/dbraw/zinc/58/21/66/571582166.db2.gz NAXGIVDKUILUNI-DQEYMECFSA-N -1 3 508.569 6.391 40 10 KKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224592477 571582331 /nfs/dbraw/zinc/58/23/31/571582331.db2.gz ZNMOILCAKVZCRW-WDYNHAJCSA-N -1 3 525.678 5.208 40 10 KKCBHM COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c1C ZINC000224609188 571585767 /nfs/dbraw/zinc/58/57/67/571585767.db2.gz KVHIMXUMHIKXBD-FTJBHMTQSA-N -1 3 515.595 5.289 40 10 KKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cc(Cl)ccc1O ZINC000224864382 571624540 /nfs/dbraw/zinc/62/45/40/571624540.db2.gz QHBIXDPASPTFMT-RPBOFIJWSA-N -1 3 525.461 6.384 40 10 KKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccccc1C(F)(F)F ZINC000224868481 571624917 /nfs/dbraw/zinc/62/49/17/571624917.db2.gz YSNMEAILPNVNQK-JWQCQUIFSA-N -1 3 543.014 7.044 40 10 KKCBHM CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c1C ZINC000224868651 571624946 /nfs/dbraw/zinc/62/49/46/571624946.db2.gz JMJCNCMUTJUJPS-KAYWLYCHSA-N -1 3 503.071 6.588 40 10 KKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cc(C)ccc1C ZINC000224872803 571625420 /nfs/dbraw/zinc/62/54/20/571625420.db2.gz HQMPSNFAXFTYDT-KAYWLYCHSA-N -1 3 503.071 6.642 40 10 KKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1c(C)cccc1C ZINC000224872982 571625505 /nfs/dbraw/zinc/62/55/05/571625505.db2.gz YOMUXASPZALCFV-XNMGPUDCSA-N -1 3 503.071 6.642 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225424835 571791067 /nfs/dbraw/zinc/79/10/67/571791067.db2.gz FCSXPISCVVNYPB-VSGBNLITSA-N -1 3 561.733 5.355 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C)c2C)ccc1[N-]S(C)(=O)=O ZINC000225424498 571791187 /nfs/dbraw/zinc/79/11/87/571791187.db2.gz YGVVXGKUSKWEER-VSGBNLITSA-N -1 3 561.733 5.355 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225424549 571791203 /nfs/dbraw/zinc/79/12/03/571791203.db2.gz NAKFJGCBSSHFBG-NSOVKSMOSA-N -1 3 561.733 5.355 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225426180 571792265 /nfs/dbraw/zinc/79/22/65/571792265.db2.gz VGAOGDDXJXNAIB-RRPNLBNLSA-N -1 3 582.151 5.700 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225426856 571793509 /nfs/dbraw/zinc/79/35/09/571793509.db2.gz CLRLLRYBCQIJCA-RRPNLBNLSA-N -1 3 626.602 5.809 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225428174 571795051 /nfs/dbraw/zinc/79/50/51/571795051.db2.gz OCSVDXCEUMUMSO-WDYNHAJCSA-N -1 3 590.775 5.112 40 10 KKCBHM CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc([N-]S(C)(=O)=O)c(OC)c3)c2C)cc1 ZINC000225428342 571795795 /nfs/dbraw/zinc/79/57/95/571795795.db2.gz PTVYNSPXEIHDPG-IOWSJCHKSA-N -1 3 618.829 5.893 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)ccc1[N-]S(C)(=O)=O ZINC000225429296 571797137 /nfs/dbraw/zinc/79/71/37/571797137.db2.gz KNQSFOYQAJFIJL-WDYNHAJCSA-N -1 3 575.760 5.663 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)ccc1[N-]S(C)(=O)=O ZINC000225429710 571797479 /nfs/dbraw/zinc/79/74/79/571797479.db2.gz ZAXIGLCVAKGPII-LMSSTIIKSA-N -1 3 575.760 5.663 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)ccc1[N-]S(C)(=O)=O ZINC000225430380 571797906 /nfs/dbraw/zinc/79/79/06/571797906.db2.gz BFFDSSPEACIQDY-IZLXSDGUSA-N -1 3 596.178 6.008 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)ccc1[N-]S(C)(=O)=O ZINC000225430913 571798454 /nfs/dbraw/zinc/79/84/54/571798454.db2.gz MCBAEDRELUNCAC-IZLXSDGUSA-N -1 3 596.178 6.008 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)ccc1[N-]S(C)(=O)=O ZINC000225431224 571798839 /nfs/dbraw/zinc/79/88/39/571798839.db2.gz SMCJFULAOUJGQR-NSOVKSMOSA-N -1 3 612.177 5.708 40 10 KKCBHM CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c([N-]S(C)(=O)=O)c3)c2C)cc1 ZINC000225482309 571852994 /nfs/dbraw/zinc/85/29/94/571852994.db2.gz PONMDPINQMOZHK-IOWSJCHKSA-N -1 3 618.829 5.893 40 10 KKCBHM Cc1[n-]n(-c2ccc(Br)c(C)c2C)c(=O)c1C=Nc1cc2[nH]c(=O)[nH]c2cc1N1CCN(c2ccccc2)CC1 ZINC000408527517 572160887 /nfs/dbraw/zinc/16/08/87/572160887.db2.gz FYQGGVMGZKNLOV-XLNRJJMWSA-N -1 3 600.521 5.693 40 10 KKCBHM CCOc1cc(/C=C2/SC([N-]C(C)=O)=NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408553331 572240187 /nfs/dbraw/zinc/24/01/87/572240187.db2.gz VEOQEUJBIFJKPU-QGMBQPNBSA-N -1 3 542.828 5.169 40 10 KKCBHM CC1(C)Oc2cc(CN3CCN(C(=O)COc4ccc(Cl)cc4)CC3)c([O-])cc2[C@@H]2O[C@H](c3ccccc3)CC[C@H]21 ZINC000257316633 572317338 /nfs/dbraw/zinc/31/73/38/572317338.db2.gz VGKCHPUUMUFPAL-IGKQJQGVSA-N -1 3 577.121 6.149 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccccc3OCCOc3ccccc3)SC2=S)c(Cl)c1 ZINC000409143783 1070571516 /nfs/dbraw/zinc/57/15/16/1070571516.db2.gz HUOVEUKZUFKDFH-XQNSMLJCSA-N -1 3 525.051 5.652 40 10 KKCBHM COc1c(I)cc(I)cc1/C=C1/SC(=S)N([N-]C(=O)c2ccc(C)cc2Cl)C1=O ZINC000409149976 1070568320 /nfs/dbraw/zinc/56/83/20/1070568320.db2.gz WZWNRQWPXQNPTL-VIZOYTHASA-N -1 3 670.719 5.412 40 10 KKCBHM C=C/C=C\C(=C/C)N1C(=O)/C(=C\c2c([O-])ccc3ccccc32)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185129 1070604892 /nfs/dbraw/zinc/60/48/92/1070604892.db2.gz JNVRDTXRNCJPGM-HJFSHLRVSA-N -1 3 613.739 6.939 40 10 KKCBHM O=S(=O)([N-]c1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC3CSC3)cc1)N2 ZINC000409335658 1070855666 /nfs/dbraw/zinc/85/56/66/1070855666.db2.gz LFCUQCHCDPXWCT-OREGWCPLSA-N -1 3 593.092 7.480 40 10 KKCBHM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 ZINC000408991306 1071581065 /nfs/dbraw/zinc/58/10/65/1071581065.db2.gz NJRASQRFLHQIRJ-CLCZQPDDSA-N -1 3 559.540 7.115 40 10 KKCBHM Cc1ccc(N=Nc2ccc(N3C(=O)[C@@H](OC(=O)c4ccccc4)C(OC(=O)c4ccccc4)=C3[O-])cc2)cc1 ZINC000409293211 1071842834 /nfs/dbraw/zinc/84/28/34/1071842834.db2.gz HFPCJAPFFLAUIZ-XVBRNVETSA-N -1 3 533.540 5.735 40 10 KKCBHM Cc1ccc(N=Nc2ccc(N3C(=O)[C@H](OC(=O)c4ccccc4)C(OC(=O)c4ccccc4)=C3[O-])cc2)cc1 ZINC000409293211 1071842845 /nfs/dbraw/zinc/84/28/45/1071842845.db2.gz HFPCJAPFFLAUIZ-XVBRNVETSA-N -1 3 533.540 5.735 40 10 KKCBHM CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc(Br)c1[O-] ZINC000409097459 1072336971 /nfs/dbraw/zinc/33/69/71/1072336971.db2.gz IOGPOAMLRSKWTO-CIAFOILYSA-N -1 3 573.465 6.351 40 10 KKCBHM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC3CSC3)cc1)N2 ZINC000409333047 1072356857 /nfs/dbraw/zinc/35/68/57/1072356857.db2.gz BICUZRYMZXEMNN-VYKTZEHYSA-N -1 3 539.122 6.770 40 10 KKCBHM CCOc1cc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000409144609 1072532997 /nfs/dbraw/zinc/53/29/97/1072532997.db2.gz LYSBGLCRMNSFQP-UCQKPKSFSA-N -1 3 573.523 6.826 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)SC2=S)c(Cl)c1 ZINC000409142849 1072546273 /nfs/dbraw/zinc/54/62/73/1072546273.db2.gz CTWYHIUOKWMQAY-SRZZPIQSSA-N -1 3 593.992 6.914 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3cccc(OCc4ccc(Cl)cc4)c3)SC2=S)c(Cl)c1 ZINC000409141638 1072552666 /nfs/dbraw/zinc/55/26/66/1072552666.db2.gz BATOAGFNAGMHLI-LPYMAVHISA-N -1 3 529.470 6.427 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(Br)c3)SC2=S)c(Cl)c1 ZINC000409141428 1072553155 /nfs/dbraw/zinc/55/31/55/1072553155.db2.gz JRFMCPHJDYBXLB-ZVBGSRNCSA-N -1 3 721.707 8.605 40 10 KKCBHM COc1c(Br)cc(Br)cc1/C=C1/SC(=S)N([N-]C(=O)c2ccc(C)cc2Cl)C1=O ZINC000409141176 1072554988 /nfs/dbraw/zinc/55/49/88/1072554988.db2.gz IXRHNHFRPWAOIC-VIZOYTHASA-N -1 3 576.719 5.728 40 10 KKCBHM COC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N([N-]C(=O)c4ccc(C)cc4Cl)C3=O)o2)cc1 ZINC000409140531 1072558123 /nfs/dbraw/zinc/55/81/23/1072558123.db2.gz IQQOMJAMSIIHIA-UDWIEESQSA-N -1 3 512.996 5.241 40 10 KKCBHM COc1cc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409139711 1072563887 /nfs/dbraw/zinc/56/38/87/1072563887.db2.gz DOBVKATYFQTTDI-SSDVNMTOSA-N -1 3 601.018 5.812 40 10 KKCBHM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc(I)c1OC ZINC000409146834 1072578811 /nfs/dbraw/zinc/57/88/11/1072578811.db2.gz UYQSOLBCOJPNPM-LICLKQGHSA-N -1 3 588.876 5.207 40 10 KKCBHM COc1cccc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)c1OCc1ccc(Cl)cc1 ZINC000409146002 1072584722 /nfs/dbraw/zinc/58/47/22/1072584722.db2.gz PLFITNACGOJRCH-LPYMAVHISA-N -1 3 559.496 6.436 40 10 KKCBHM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409145246 1072588709 /nfs/dbraw/zinc/58/87/09/1072588709.db2.gz NITAJAHNNKHCLD-OEAKJJBVSA-N -1 3 617.974 6.935 40 10 KKCBHM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409149883 1072631924 /nfs/dbraw/zinc/63/19/24/1072631924.db2.gz UFLGZAFOPLHMMH-WYMPLXKRSA-N -1 3 607.968 7.479 40 10 KKCBHM CCOc1cc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409150003 1072632952 /nfs/dbraw/zinc/63/29/52/1072632952.db2.gz XYMYEFKWDCMNSE-MYYYXRDXSA-N -1 3 596.130 5.919 40 10 KKCBHM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1C ZINC000409149692 1072635153 /nfs/dbraw/zinc/63/51/53/1072635153.db2.gz NNICBTSHVOMDCB-DHRITJCHSA-N -1 3 675.026 6.600 40 10 KKCBHM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br ZINC000409148413 1072642198 /nfs/dbraw/zinc/64/21/98/1072642198.db2.gz ZAGSMBIMCYGQKM-DHRITJCHSA-N -1 3 675.026 6.600 40 10 KKCBHM COc1ccc(Cl)cc1-c1ccc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)o1 ZINC000409160689 1072680885 /nfs/dbraw/zinc/68/08/85/1072680885.db2.gz HZVLOIIQMXTTSD-RGVLZGJSSA-N -1 3 519.431 6.117 40 10 KKCBHM CCOc1cc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc(Br)c1[O-] ZINC000409258922 1073242287 /nfs/dbraw/zinc/24/22/87/1073242287.db2.gz WMLGHQMBRXEOEL-STZFKDTASA-N -1 3 528.449 6.752 40 10 KKCBHM CCOc1ccc(N2C(=O)c3cc(I)ccc3N[C@@H]2c2cc(Br)ccc2[O-])cc1 ZINC000002747444 552174525 /nfs/dbraw/zinc/17/45/25/552174525.db2.gz GWAXKEVENAWTDM-NRFANRHFSA-N -1 3 565.205 5.929 40 10 KKCBHM CCCC1=NN(c2ccc(C(=O)OCC)cc2)C(=O)/C1=C/c1cc(Br)c([O-])c(OCC)c1 ZINC000013914543 553495460 /nfs/dbraw/zinc/49/54/60/553495460.db2.gz BWGFOKTYBBVALO-LDADJPATSA-N -1 3 501.377 5.316 40 10 KKCBHM CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C(C)C)oc2c(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)c1[O-] ZINC000071382509 553635319 /nfs/dbraw/zinc/63/53/19/553635319.db2.gz CNGICHMTGRWUPJ-RBBKRZOGSA-N -1 3 564.686 5.519 40 10 KKCBHM CCc1cc(-c2n[nH]c(C)c2-c2nc3ccccc3s2)c([O-])c(C[N@@H+]2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c1[O-] ZINC000034240623 553981239 /nfs/dbraw/zinc/98/12/39/553981239.db2.gz LANBFRSMVUEKLE-ADSBAMQRSA-N -1 3 516.711 7.036 40 10 KKCBHM CCc1cc(-c2n[nH]c(C)c2-c2nc3ccccc3s2)c([O-])c(C[N@H+]2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c1[O-] ZINC000034240623 553981240 /nfs/dbraw/zinc/98/12/40/553981240.db2.gz LANBFRSMVUEKLE-ADSBAMQRSA-N -1 3 516.711 7.036 40 10 KKCBHM CCOc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc(I)c1[O-] ZINC000100222842 554252020 /nfs/dbraw/zinc/25/20/20/554252020.db2.gz ZGQDGUOKKRXJBH-HZHRSRAPSA-N -1 3 618.427 6.441 40 10 KKCBHM CCOc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)cc(Br)c1[O-] ZINC000100229893 554255288 /nfs/dbraw/zinc/25/52/88/554255288.db2.gz PCFNRKHWOQZDER-HZHRSRAPSA-N -1 3 571.427 6.598 40 10 KKCBHM COc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc43)C2=O)cc(Br)c1[O-] ZINC000100319601 554304212 /nfs/dbraw/zinc/30/42/12/554304212.db2.gz BHWPIRCJQMEBPA-HYARGMPZSA-N -1 3 557.400 6.208 40 10 KKCBHM COc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc(I)c1[O-] ZINC000100319671 554304246 /nfs/dbraw/zinc/30/42/46/554304246.db2.gz AUTCHXARRMPVHP-HYARGMPZSA-N -1 3 604.400 6.050 40 10 KKCBHM CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2 ZINC000058846090 554366086 /nfs/dbraw/zinc/36/60/86/554366086.db2.gz JEYYEXDPBDLIMT-UNVFRBQDSA-N -1 3 510.015 6.438 40 10 KKCBHM COc1cc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(C)ccc4C)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000058846391 554366096 /nfs/dbraw/zinc/36/60/96/554366096.db2.gz FYHREFMQMWZAQE-PFPZSTESSA-N -1 3 520.651 5.957 40 10 KKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N3)cc1C ZINC000058846526 554366347 /nfs/dbraw/zinc/36/63/47/554366347.db2.gz OWRULTMKQSWYIO-UZINWLIJSA-N -1 3 510.015 6.492 40 10 KKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(C)cc(C)c4)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000058846722 554366355 /nfs/dbraw/zinc/36/63/55/554366355.db2.gz GNAYJPGLGJDAIB-OREGWCPLSA-N -1 3 505.596 5.848 40 10 KKCBHM COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C(C)C)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058846839 554366433 /nfs/dbraw/zinc/36/64/33/554366433.db2.gz XKBJFWUTFDMZGL-BXTSTYNKSA-N -1 3 502.636 6.224 40 10 KKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4c(C)cccc4C)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000058846496 554366462 /nfs/dbraw/zinc/36/64/62/554366462.db2.gz SECOXWOIQJDICN-FYQCMVGJSA-N -1 3 505.596 5.848 40 10 KKCBHM CC(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2Cl)N3)cc1 ZINC000058846781 554366506 /nfs/dbraw/zinc/36/65/06/554366506.db2.gz HPWVJKQAJUJKRI-XXAUWVGASA-N -1 3 513.490 7.744 40 10 KKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(-c5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058846924 554366711 /nfs/dbraw/zinc/36/67/11/554366711.db2.gz LRCOYEZARYVZGV-WTNLLYQRSA-N -1 3 508.643 6.990 40 10 KKCBHM COc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(-c5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058846921 554366839 /nfs/dbraw/zinc/36/68/39/554366839.db2.gz YZWDKZAOWOKKNI-WTNLLYQRSA-N -1 3 508.643 6.990 40 10 KKCBHM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000058848077 554367301 /nfs/dbraw/zinc/36/73/01/554367301.db2.gz LWFOULRDVNTVDT-CEYNDMKZSA-N -1 3 518.988 7.295 40 10 KKCBHM COc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4C)cc3[C@H]3C=CC[C@H]32)c1OC ZINC000058848052 554367398 /nfs/dbraw/zinc/36/73/98/554367398.db2.gz FOPYXJDMXPWQGP-UNVFRBQDSA-N -1 3 511.043 6.293 40 10 KKCBHM COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4C)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058847950 554367466 /nfs/dbraw/zinc/36/74/66/554367466.db2.gz CKIKPFGMKQZLKM-LZCXECNNSA-N -1 3 509.027 6.062 40 10 KKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Br)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058848360 554367606 /nfs/dbraw/zinc/36/76/06/554367606.db2.gz DRMTTYXEIMWYFW-SGIRGMQISA-N -1 3 511.441 6.085 40 10 KKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc(OC)c(OC)c(OC)c2)N3)cc1 ZINC000058848512 554367971 /nfs/dbraw/zinc/36/79/71/554367971.db2.gz IAACLUSIIFPPPJ-OREGWCPLSA-N -1 3 522.623 5.348 40 10 KKCBHM COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc(OC)c(OC)c(OC)c2)N3)c1 ZINC000058848838 554368402 /nfs/dbraw/zinc/36/84/02/554368402.db2.gz VDQYZALWHQHFLX-OREGWCPLSA-N -1 3 522.623 5.348 40 10 KKCBHM O=S(=O)([N-]c1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2 ZINC000058849204 554368736 /nfs/dbraw/zinc/36/87/36/554368736.db2.gz BXXGKSLJDYDNEV-FVXXUCQHSA-N -1 3 512.606 7.245 40 10 KKCBHM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(OC)c(OC)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058849534 554369002 /nfs/dbraw/zinc/36/90/02/554369002.db2.gz NILZYYLSMPSWEI-SXDGJLEOSA-N -1 3 506.624 5.730 40 10 KKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc([N+](=O)[O-])cc2)N3)cc1OC ZINC000058849575 554368984 /nfs/dbraw/zinc/36/89/84/554368984.db2.gz GMCXLYSJVSMHOC-LZCXECNNSA-N -1 3 507.568 5.239 40 10 KKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2[N+](=O)[O-])N3)cc1OC ZINC000058849564 554369157 /nfs/dbraw/zinc/36/91/57/554369157.db2.gz VAQUSKSYXIFJEV-ANSQWYIGSA-N -1 3 507.568 5.239 40 10 KKCBHM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Br)N2 ZINC000058850246 554369774 /nfs/dbraw/zinc/36/97/74/554369774.db2.gz OYJRQRHYUCGAHJ-GLDPYIMESA-N -1 3 515.860 6.730 40 10 KKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3[C@H]3C=CC[C@H]32)c(OC)c1 ZINC000058850083 554369855 /nfs/dbraw/zinc/36/98/55/554369855.db2.gz YZRRSKVNQQDCPB-BBANNHEPSA-N -1 3 512.631 6.484 40 10 KKCBHM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(F)cccc1Cl)N2 ZINC000058850250 554369877 /nfs/dbraw/zinc/36/98/77/554369877.db2.gz PAXPXBDMQTVDSE-QLODZENZSA-N -1 3 503.426 7.068 40 10 KKCBHM COc1cc(C(=O)NN2C(=O)/C(=C/c3cc([N+](=O)[O-])ccc3OCc3ccccc3Cl)SC2=S)ccc1[O-] ZINC000100859898 554494395 /nfs/dbraw/zinc/49/43/95/554494395.db2.gz TWBQFWXNUXEBCI-UUYOSTAYSA-N -1 3 572.020 5.088 40 10 KKCBHM COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(-c5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104646281 571381939 /nfs/dbraw/zinc/38/19/39/571381939.db2.gz IKZFVRQVRPNGLD-XKVZAPNPSA-N -1 3 538.669 6.998 40 10 KKCBHM CC(C)Oc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(-c5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104646341 571381960 /nfs/dbraw/zinc/38/19/60/571381960.db2.gz QRBJXYDIUOFJQU-AARCXHMLSA-N -1 3 536.697 7.768 40 10 KKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(-c5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)c(OC)c1 ZINC000104646276 571381997 /nfs/dbraw/zinc/38/19/97/571381997.db2.gz IRDWWAQSCOPXGW-XKVZAPNPSA-N -1 3 538.669 6.998 40 10 KKCBHM COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(-c5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104646304 571382004 /nfs/dbraw/zinc/38/20/04/571382004.db2.gz SHSYFOZBKGUION-WTNLLYQRSA-N -1 3 536.653 6.768 40 10 KKCBHM CC(C)Oc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104647489 571382232 /nfs/dbraw/zinc/38/22/32/571382232.db2.gz QFHNDTWXHTXWLP-CLCZQPDDSA-N -1 3 529.489 7.408 40 10 KKCBHM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2 ZINC000104647800 571382260 /nfs/dbraw/zinc/38/22/60/571382260.db2.gz KBQCVXBAKOCFRM-ATLLOTDBSA-N -1 3 519.881 7.583 40 10 KKCBHM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2 ZINC000104647779 571382286 /nfs/dbraw/zinc/38/22/86/571382286.db2.gz ZWLLGZKMZXKRGF-CEYNDMKZSA-N -1 3 530.433 6.837 40 10 KKCBHM COc1ccc(Br)cc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2[C@H]2C=CC[C@H]21 ZINC000104647837 571382340 /nfs/dbraw/zinc/38/23/40/571382340.db2.gz AEEDUNHNBUQJER-UNVFRBQDSA-N -1 3 559.913 7.047 40 10 KKCBHM O=[N+]([O-])c1ccc(Cl)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Br)cc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104648211 571382494 /nfs/dbraw/zinc/38/24/94/571382494.db2.gz VAWCNEIDAUOQEH-GLDPYIMESA-N -1 3 560.857 6.638 40 10 KKCBHM COc1cc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Br)cc4)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000104648318 571382520 /nfs/dbraw/zinc/38/25/20/571382520.db2.gz ZVYMBOGQOIZHTJ-LZCXECNNSA-N -1 3 571.493 6.102 40 10 KKCBHM O=S(=O)([N-]c1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000104648586 571382661 /nfs/dbraw/zinc/38/26/61/571382661.db2.gz UTVGVKVQZBIJBO-SRGWNRLKSA-N -1 3 573.851 8.293 40 10 KKCBHM COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc(Br)ccc2OC)N3)c1 ZINC000104648954 571382762 /nfs/dbraw/zinc/38/27/62/571382762.db2.gz WARVVVFLTZLLBE-UZINWLIJSA-N -1 3 541.467 6.094 40 10 KKCBHM CC(C)(C)c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)c(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104648756 571382792 /nfs/dbraw/zinc/38/27/92/571382792.db2.gz TUYYPUKGUCGXQV-OREGWCPLSA-N -1 3 561.069 8.284 40 10 KKCBHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OCc4ccc([N+](=O)[O-])cc4)cc2)N3)cc1 ZINC000104648906 571382886 /nfs/dbraw/zinc/38/28/86/571382886.db2.gz KLOBHMOLMKSOIU-AARCXHMLSA-N -1 3 597.693 7.200 40 10 KKCBHM O=S(=O)([N-]c1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000104649344 571382957 /nfs/dbraw/zinc/38/29/57/571382957.db2.gz MVLANDVKWOSNRI-FVXXUCQHSA-N -1 3 562.613 8.125 40 10 KKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N3)cc1OC ZINC000104649654 571383006 /nfs/dbraw/zinc/38/30/06/571383006.db2.gz XECZEPLVXIHALD-ANSQWYIGSA-N -1 3 542.013 5.893 40 10 KKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc(OC)c(OC)c(OC)c2)N3)cc1OC ZINC000104649705 571383017 /nfs/dbraw/zinc/38/30/17/571383017.db2.gz NZTXXGSDMCJDJT-BALWLHIASA-N -1 3 552.649 5.357 40 10 KKCBHM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Br)N2 ZINC000104650460 571383248 /nfs/dbraw/zinc/38/32/48/571383248.db2.gz CWYGSCVOVADTAI-CEYNDMKZSA-N -1 3 529.887 7.038 40 10 KKCBHM O=C1c2ccccc2C(=O)c2c(Nc3ccc4c(c3)c(=O)c3ccc5c6ccc7c(=O)c8ccccc8c(=O)c7c6[nH]c6cc([O-])c4c3c65)cccc21 ZINC000150350068 571461615 /nfs/dbraw/zinc/46/16/15/571461615.db2.gz NZPZPCFEKAOOPB-UHFFFAOYSA-N -1 3 686.679 8.021 40 10 KKCBHM Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc(Sc2ccc(NC=C3C(=O)N(c4ccc(C)c(C)c4)N=C3C)cc2)cc1 ZINC000150398275 571477281 /nfs/dbraw/zinc/47/72/81/571477281.db2.gz CXMBIQZYJYQRJO-JTOYJDTJSA-N -1 3 640.813 8.508 40 10 KKCBHM Cc1cc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000215059011 571582740 /nfs/dbraw/zinc/58/27/40/571582740.db2.gz CVQYWGMNJVPHDT-CIAFOILYSA-N -1 3 511.397 5.791 40 10 KKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccccc1C(F)(F)F ZINC000224601859 571584287 /nfs/dbraw/zinc/58/42/87/571584287.db2.gz CPQMABGERWPBIB-LOSJGSFVSA-N -1 3 508.569 6.391 40 10 KKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cccc(Br)c1 ZINC000224603898 571584605 /nfs/dbraw/zinc/58/46/05/571584605.db2.gz PEZPUAFHUZCFDF-RPBOFIJWSA-N -1 3 519.468 6.134 40 10 KKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccc(Br)cc1 ZINC000224604173 571584787 /nfs/dbraw/zinc/58/47/87/571584787.db2.gz MRLQQKFUNPHZMV-LOSJGSFVSA-N -1 3 519.468 6.134 40 10 KKCBHM CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])c2C)cc1 ZINC000224606062 571585108 /nfs/dbraw/zinc/58/51/08/571585108.db2.gz MWYSEPPMWLJDEX-URLMMPGGSA-N -1 3 511.695 6.218 40 10 KKCBHM COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c1C ZINC000224608152 571585582 /nfs/dbraw/zinc/58/55/82/571585582.db2.gz OAFLZWQUBWNXMR-FTJBHMTQSA-N -1 3 515.595 5.289 40 10 KKCBHM COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])c2C)c([N+](=O)[O-])c1 ZINC000224608410 571585694 /nfs/dbraw/zinc/58/56/94/571585694.db2.gz SUXWEYYZFAWXCR-IZZNHLLZSA-N -1 3 515.595 5.289 40 10 KKCBHM COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])c2C)c([N+](=O)[O-])c1 ZINC000224608460 571585725 /nfs/dbraw/zinc/58/57/25/571585725.db2.gz SUXWEYYZFAWXCR-UIOOFZCWSA-N -1 3 515.595 5.289 40 10 KKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224860632 571624100 /nfs/dbraw/zinc/62/41/00/571624100.db2.gz SACHDKGNUFBSCG-VMPREFPWSA-N -1 3 560.123 5.862 40 10 KKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000224860370 571624118 /nfs/dbraw/zinc/62/41/18/571624118.db2.gz XWDLURNTTHMAJU-RPBOFIJWSA-N -1 3 543.014 7.044 40 10 KKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccccc1C(F)(F)F ZINC000224868517 571624936 /nfs/dbraw/zinc/62/49/36/571624936.db2.gz YSNMEAILPNVNQK-RPBOFIJWSA-N -1 3 543.014 7.044 40 10 KKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccccc1C(F)(F)F ZINC000224868597 571624952 /nfs/dbraw/zinc/62/49/52/571624952.db2.gz YSNMEAILPNVNQK-DQEYMECFSA-N -1 3 543.014 7.044 40 10 KKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccccc1Cl ZINC000224869658 571625053 /nfs/dbraw/zinc/62/50/53/571625053.db2.gz CYVMKNKDXVFBRO-DQEYMECFSA-N -1 3 509.462 6.679 40 10 KKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cccc(Cl)c1 ZINC000224869719 571625072 /nfs/dbraw/zinc/62/50/72/571625072.db2.gz DICFWYIWFLWFDN-JWQCQUIFSA-N -1 3 509.462 6.679 40 10 KKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccc(Cl)cc1 ZINC000224870036 571625106 /nfs/dbraw/zinc/62/51/06/571625106.db2.gz KRXSPTNDUUNACK-DQEYMECFSA-N -1 3 509.462 6.679 40 10 KKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccc(Cl)cc1 ZINC000224869996 571625112 /nfs/dbraw/zinc/62/51/12/571625112.db2.gz KRXSPTNDUUNACK-LOSJGSFVSA-N -1 3 509.462 6.679 40 10 KKCBHM COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])c2C)cc1 ZINC000224871286 571625224 /nfs/dbraw/zinc/62/52/24/571625224.db2.gz WNVWZJGGHBLTKW-IZZNHLLZSA-N -1 3 505.043 6.034 40 10 KKCBHM COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])c2C)c1 ZINC000224871106 571625231 /nfs/dbraw/zinc/62/52/31/571625231.db2.gz VJGQGVVHCFEPPK-IZZNHLLZSA-N -1 3 505.043 6.034 40 10 KKCBHM CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])c2C)cc1 ZINC000224872215 571625347 /nfs/dbraw/zinc/62/53/47/571625347.db2.gz ZRJAQLAWRCOZIH-VMPREFPWSA-N -1 3 546.140 6.871 40 10 KKCBHM COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])c2C)c([N+](=O)[O-])c1 ZINC000224874136 571625605 /nfs/dbraw/zinc/62/56/05/571625605.db2.gz MLOUFHZTASOQJR-IZZNHLLZSA-N -1 3 550.040 5.942 40 10 KKCBHM COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c1C ZINC000224874774 571625647 /nfs/dbraw/zinc/62/56/47/571625647.db2.gz PMDCVJDCLKMZHL-FTJBHMTQSA-N -1 3 550.040 5.942 40 10 KKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cc(Cl)ccc1C ZINC000224874305 571625699 /nfs/dbraw/zinc/62/56/99/571625699.db2.gz SBSOWQIIKPIOBI-IZZNHLLZSA-N -1 3 523.489 6.987 40 10 KKCBHM COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])c2C)c1 ZINC000224886185 571626728 /nfs/dbraw/zinc/62/67/28/571626728.db2.gz ZBEVKFHVOQAOTK-IZZNHLLZSA-N -1 3 533.053 5.812 40 10 KKCBHM COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])c2C)cc1 ZINC000224886536 571626801 /nfs/dbraw/zinc/62/68/01/571626801.db2.gz CSXMITXEZHKMCD-IZZNHLLZSA-N -1 3 533.053 5.812 40 10 KKCBHM COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])c2C)cc1 ZINC000224886451 571626804 /nfs/dbraw/zinc/62/68/04/571626804.db2.gz CSXMITXEZHKMCD-CLJLJLNGSA-N -1 3 533.053 5.812 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)ccc1[N-]S(C)(=O)=O ZINC000260851064 571751421 /nfs/dbraw/zinc/75/14/21/571751421.db2.gz DBMUARHQNJUUIN-RRPNLBNLSA-N -1 3 598.194 5.924 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)ccc1[N-]S(C)(=O)=O ZINC000225417996 571785365 /nfs/dbraw/zinc/78/53/65/571785365.db2.gz DBMUARHQNJUUIN-SXOMAYOGSA-N -1 3 598.194 5.924 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)ccc1[N-]S(C)(=O)=O ZINC000225420884 571788498 /nfs/dbraw/zinc/78/84/98/571788498.db2.gz YFJJSIFPEIXQFZ-SVBPBHIXSA-N -1 3 598.150 5.405 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225424312 571790511 /nfs/dbraw/zinc/79/05/11/571790511.db2.gz NBZLDMRXCCAYPK-RRPNLBNLSA-N -1 3 547.706 5.046 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)ccc1[N-]S(C)(=O)=O ZINC000225428614 571795842 /nfs/dbraw/zinc/79/58/42/571795842.db2.gz LWVSEYUMUUUXQH-SXOMAYOGSA-N -1 3 616.596 6.353 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)ccc1[N-]S(C)(=O)=O ZINC000225429754 571797534 /nfs/dbraw/zinc/79/75/34/571797534.db2.gz ZAXIGLCVAKGPII-XRKRLSELSA-N -1 3 575.760 5.663 40 10 KKCBHM 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 572128151 /nfs/dbraw/zinc/12/81/51/572128151.db2.gz HHBUXHGNFGUEFR-QREYOABZSA-N -1 3 816.945 6.044 40 10 KKCBHM CCOc1cc(/C=C2/SC([N-]C(C)=O)=NC2=O)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408540824 572206904 /nfs/dbraw/zinc/20/69/04/572206904.db2.gz WEOUPEPZPIUUNM-CVKSISIWSA-N -1 3 611.514 6.121 40 10 KKCBHM CCOc1cc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc(Br)c1OCc1ccccc1F ZINC000409345334 1070876794 /nfs/dbraw/zinc/87/67/94/1070876794.db2.gz LEVSWRBCNNOHMJ-QRVIBDJDSA-N -1 3 635.964 7.074 40 10 KKCBHM Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC3CSC3)cc1)N2 ZINC000408995783 1071621551 /nfs/dbraw/zinc/62/15/51/1071621551.db2.gz NIYSXPUIKKJXJS-VYKTZEHYSA-N -1 3 504.677 6.117 40 10 KKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(F)(F)F)N3)cc1OC ZINC000408756316 1071638900 /nfs/dbraw/zinc/63/89/00/1071638900.db2.gz RIBGIHSQIVCIMU-ANSQWYIGSA-N -1 3 530.568 6.350 40 10 KKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC4CSC4)cc2)N3)cc1OC ZINC000409000229 1071650514 /nfs/dbraw/zinc/65/05/14/1071650514.db2.gz MZWJMYXFQZJMAA-CTVOUCONSA-N -1 3 550.702 5.825 40 10 KKCBHM COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc(Br)c1[O-] ZINC000409095864 1072236669 /nfs/dbraw/zinc/23/66/69/1072236669.db2.gz IUBJIUVJKMYNOH-RGVLZGJSSA-N -1 3 559.438 5.961 40 10 KKCBHM CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc(Cl)c1[O-] ZINC000409100696 1072318109 /nfs/dbraw/zinc/31/81/09/1072318109.db2.gz WHZRZWDARKJEKS-CIAFOILYSA-N -1 3 529.014 6.242 40 10 KKCBHM O=C1/C(=C\c2ccc([O-])c(I)c2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409346723 1072413519 /nfs/dbraw/zinc/41/35/19/1072413519.db2.gz OGEFBNPCUQPKON-MKMNVTDBSA-N -1 3 508.189 5.709 40 10 KKCBHM COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=S)N([N-]C(=O)c2ccc(C)cc2Cl)C1=O ZINC000409342528 1072448706 /nfs/dbraw/zinc/44/87/06/1072448706.db2.gz FOFFMGIEGXGGSA-BRJLIKDPSA-N -1 3 553.149 6.671 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)SC2=S)c(Cl)c1 ZINC000409144369 1072535043 /nfs/dbraw/zinc/53/50/43/1072535043.db2.gz JWEXEQHNLIJVNX-CFRMEGHHSA-N -1 3 563.060 6.106 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3cn(Cc4ccccc4F)c4ccccc34)SC2=S)c(Cl)c1 ZINC000409350325 1072543121 /nfs/dbraw/zinc/54/31/21/1072543121.db2.gz XVWAZDSRQKXROM-CFRMEGHHSA-N -1 3 536.053 6.337 40 10 KKCBHM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409142681 1072546895 /nfs/dbraw/zinc/54/68/95/1072546895.db2.gz FNLCPHMDGTYELD-CVKSISIWSA-N -1 3 654.007 7.698 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4C(C)C)cc3)SC2=S)c(Cl)c1 ZINC000409146492 1072582290 /nfs/dbraw/zinc/58/22/90/1072582290.db2.gz SJKISNYCVFUJIU-MFKUBSTISA-N -1 3 580.131 6.336 40 10 KKCBHM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCc1ccccc1 ZINC000409145781 1072585194 /nfs/dbraw/zinc/58/51/94/1072585194.db2.gz POSOSBMFWDZFMI-BUVRLJJBSA-N -1 3 539.078 6.172 40 10 KKCBHM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409147348 1072591058 /nfs/dbraw/zinc/59/10/58/1072591058.db2.gz WSNUIYIJJWLFOM-YDZHTSKRSA-N -1 3 559.496 6.436 40 10 KKCBHM CCN(CC)c1ccc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)c(OCc2ccccc2)c1 ZINC000409149628 1072634581 /nfs/dbraw/zinc/63/45/81/1072634581.db2.gz LPOXCYFPKQXIIC-WGOQTCKBSA-N -1 3 566.148 6.620 40 10 KKCBHM CCOc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc(Br)c1[O-] ZINC000409149365 1072637200 /nfs/dbraw/zinc/63/72/00/1072637200.db2.gz CYCNYEOXPNEFGU-QGMBQPNBSA-N -1 3 537.501 5.002 40 10 KKCBHM COc1cccc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409149391 1072637218 /nfs/dbraw/zinc/63/72/18/1072637218.db2.gz DZGCLFLISGQRHE-SRZZPIQSSA-N -1 3 601.018 5.812 40 10 KKCBHM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409147710 1072646948 /nfs/dbraw/zinc/64/69/48/1072646948.db2.gz ZXUBDYBWQYSPMD-OGLMXYFKSA-N -1 3 589.138 7.326 40 10 KKCBHM COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)o1 ZINC000409160754 1072681433 /nfs/dbraw/zinc/68/14/33/1072681433.db2.gz IXWFNXBRKQAFTG-RGVLZGJSSA-N -1 3 529.983 5.371 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccc(OCc4cccc5ccccc54)cc3)SC2=S)c(Cl)c1 ZINC000409160279 1072684040 /nfs/dbraw/zinc/68/40/40/1072684040.db2.gz FUFYLHQWEDZQFQ-WGOQTCKBSA-N -1 3 545.085 6.927 40 10 KKCBHM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c([O-])c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185888 1072767589 /nfs/dbraw/zinc/76/75/89/1072767589.db2.gz RZLDOGCQJJOUBU-CZUMTRSGSA-N -1 3 733.628 6.789 40 10 KKCBHM COc1cc([C@@H](CC(=O)NC[C@H](O)c2ccc(O)c(O)c2)c2c([O-])cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547138556 1073179138 /nfs/dbraw/zinc/17/91/38/1073179138.db2.gz CKJPVPCEHGIPPN-UEOVABOPSA-N -1 3 707.773 5.388 40 10 KKCBHM COc1cc([C@H](CC(=O)NC[C@H](O)c2ccc(O)c(O)c2)c2c([O-])cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547138553 1073179156 /nfs/dbraw/zinc/17/91/56/1073179156.db2.gz CKJPVPCEHGIPPN-GLSOUHKVSA-N -1 3 707.773 5.388 40 10 KKCBHM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1Br)N2 ZINC000002075862 551749931 /nfs/dbraw/zinc/74/99/31/551749931.db2.gz HSOZMTASDNSERI-AXHZCLLHSA-N -1 3 549.412 7.095 40 10 KKCBHM O=C(NC(=S)[N-]c1ccc(Cl)cc1C(=O)c1ccccc1)c1cccc(OCc2ccccc2)c1 ZINC000014274258 553507085 /nfs/dbraw/zinc/50/70/85/553507085.db2.gz XHKLOGLVRWOXGJ-UHFFFAOYSA-N -1 3 501.007 6.277 40 10 KKCBHM O=C(c1cc2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)n2n1)N1N=C(c2ccc(Br)s2)C[C@H]1c1cc(Br)ccc1[O-] ZINC000097949288 553801019 /nfs/dbraw/zinc/80/10/19/553801019.db2.gz JJDBMENZTHNGMG-INIZCTEOSA-N -1 3 731.801 8.414 40 10 KKCBHM COc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc(Br)c1[O-] ZINC000100319641 554304229 /nfs/dbraw/zinc/30/42/29/554304229.db2.gz XWOQKVXYJWKHIZ-HYARGMPZSA-N -1 3 557.400 6.208 40 10 KKCBHM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C)cc4)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000058846040 554366049 /nfs/dbraw/zinc/36/60/49/554366049.db2.gz VHBLCBSKONNBEO-CTVOUCONSA-N -1 3 504.652 6.420 40 10 KKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Br)c2)N3)c(C)c1 ZINC000058846220 554366124 /nfs/dbraw/zinc/36/61/24/554366124.db2.gz FEUVNJDEWRNSOI-VVZHRXSXSA-N -1 3 509.469 6.693 40 10 KKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Br)c2)N3)cc1C ZINC000058846529 554366385 /nfs/dbraw/zinc/36/63/85/554366385.db2.gz VPZPMPZOKTYIOL-PPJWLVRDSA-N -1 3 509.469 6.693 40 10 KKCBHM O=S(=O)([N-]c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 ZINC000058846908 554366535 /nfs/dbraw/zinc/36/65/35/554366535.db2.gz ZKJKXCMHMZRDMU-FVXXUCQHSA-N -1 3 513.062 7.634 40 10 KKCBHM O=S(=O)([N-]c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000058846914 554366786 /nfs/dbraw/zinc/36/67/86/554366786.db2.gz NMTIJQJHWBQTPK-PVTPYKNESA-N -1 3 513.062 7.634 40 10 KKCBHM O=S(=O)([N-]c1cccc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000058847391 554366803 /nfs/dbraw/zinc/36/68/03/554366803.db2.gz WNUDQDQRCUXFMM-XLNZFTOWSA-N -1 3 505.854 7.274 40 10 KKCBHM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)OCO3)N2 ZINC000058847870 554367251 /nfs/dbraw/zinc/36/72/51/554367251.db2.gz FCHFLEWXSNAUHC-WZOHSFFVSA-N -1 3 515.418 6.349 40 10 KKCBHM COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)ccc4C)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058848156 554367421 /nfs/dbraw/zinc/36/74/21/554367421.db2.gz MIJLFTPPHZTKEO-ISCCLHIJSA-N -1 3 511.043 6.293 40 10 KKCBHM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000058847845 554367409 /nfs/dbraw/zinc/36/74/09/554367409.db2.gz HODOKWHTXOUNDQ-YZUZCNPQSA-N -1 3 505.854 7.274 40 10 KKCBHM COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2[C@H]2C=CC[C@H]21 ZINC000058848353 554367772 /nfs/dbraw/zinc/36/77/72/554367772.db2.gz VQKKVRMPWLFNLS-DFIYOIEZSA-N -1 3 511.441 6.085 40 10 KKCBHM COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2Cl)N3)c1 ZINC000058848729 554368417 /nfs/dbraw/zinc/36/84/17/554368417.db2.gz UVMBIPKHSJEBBH-DFIYOIEZSA-N -1 3 501.435 6.629 40 10 KKCBHM O=S(=O)([N-]c1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2 ZINC000058849209 554368744 /nfs/dbraw/zinc/36/87/44/554368744.db2.gz JUQGAHDXECCYOK-PVTPYKNESA-N -1 3 512.606 7.245 40 10 KKCBHM O=S(=O)([N-]c1cccc2ccccc21)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(F)cccc1Cl)N2 ZINC000058850343 554369792 /nfs/dbraw/zinc/36/97/92/554369792.db2.gz LWNUCSPGMBQUIO-GTNJKRJXSA-N -1 3 505.014 7.260 40 10 KKCBHM O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)[N-]c1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000103596431 555453295 /nfs/dbraw/zinc/45/32/95/555453295.db2.gz GDESZBQWKKGNLI-DHZHZOJOSA-N -1 3 555.870 7.664 40 10 KKCBHM O=S(=O)([N-]c1ccc(F)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 ZINC000104646548 571381878 /nfs/dbraw/zinc/38/18/78/571381878.db2.gz HHTBOTQPNBGLOQ-ATLLOTDBSA-N -1 3 543.414 5.944 40 10 KKCBHM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(-c5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104646267 571381943 /nfs/dbraw/zinc/38/19/43/571381943.db2.gz GTFKCTQRTLJEHT-NPLMNSEMSA-N -1 3 522.670 7.380 40 10 KKCBHM COc1ccc(Br)cc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)cc2[C@H]2C=CC[C@H]21 ZINC000104646180 571381973 /nfs/dbraw/zinc/38/19/73/571381973.db2.gz JJBRIIYNNMDJQS-JWZKTCGFSA-N -1 3 553.522 7.208 40 10 KKCBHM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(-c5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000104646368 571381975 /nfs/dbraw/zinc/38/19/75/571381975.db2.gz NDDMZFPGQLDYJG-BHZGVWCHSA-N -1 3 566.723 7.778 40 10 KKCBHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc4c(cc2Br)OCO4)N3)c1 ZINC000104646118 571382010 /nfs/dbraw/zinc/38/20/10/571382010.db2.gz QWJZIGOKMWZDFH-VKIDHGPPSA-N -1 3 553.478 6.422 40 10 KKCBHM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000104647547 571382147 /nfs/dbraw/zinc/38/21/47/571382147.db2.gz ZRWKPKOXWVGEDL-WZOHSFFVSA-N -1 3 529.887 7.038 40 10 KKCBHM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000104647510 571382182 /nfs/dbraw/zinc/38/21/82/571382182.db2.gz RJZZEEFKTBCVPG-SXDGJLEOSA-N -1 3 559.515 7.418 40 10 KKCBHM O=S(=O)([N-]c1cccc(Br)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2 ZINC000104648033 571382257 /nfs/dbraw/zinc/38/22/57/571382257.db2.gz OMECNBWVMCUGSU-RHGYRFJNSA-N -1 3 550.305 7.383 40 10 KKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N3)cc1Cl ZINC000104647890 571382278 /nfs/dbraw/zinc/38/22/78/571382278.db2.gz LPLLCTOKVNAWJC-CEYNDMKZSA-N -1 3 530.433 6.837 40 10 KKCBHM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000104647782 571382294 /nfs/dbraw/zinc/38/22/94/571382294.db2.gz ICQUCJVXRHWBME-BPYKYCOYSA-N -1 3 529.887 7.038 40 10 KKCBHM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)N2 ZINC000104647745 571382327 /nfs/dbraw/zinc/38/23/27/571382327.db2.gz PTCPWKRZXUAYIQ-YUXUKGBOSA-N -1 3 602.112 7.763 40 10 KKCBHM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000104647650 571382389 /nfs/dbraw/zinc/38/23/89/571382389.db2.gz HTKMLCJMOQJCJZ-OSWQYVSFSA-N -1 3 519.881 7.583 40 10 KKCBHM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(Br)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104648046 571382486 /nfs/dbraw/zinc/38/24/86/571382486.db2.gz UEPPLQGFEQYCRP-PPJWLVRDSA-N -1 3 525.468 6.475 40 10 KKCBHM O=[N+]([O-])c1ccccc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3cccc(Br)c3)cc2[C@H]2C=CC[C@H]21 ZINC000104648097 571382504 /nfs/dbraw/zinc/38/25/04/571382504.db2.gz NLJAAQPDLYXNOC-GLDPYIMESA-N -1 3 526.412 5.985 40 10 KKCBHM O=S(=O)([N-]c1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2 ZINC000104648546 571382609 /nfs/dbraw/zinc/38/26/09/571382609.db2.gz HKGROOOLXXTFDB-SRGWNRLKSA-N -1 3 522.951 7.125 40 10 KKCBHM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000104648466 571382614 /nfs/dbraw/zinc/38/26/14/571382614.db2.gz OCPMGHRUVSFEAD-GLDPYIMESA-N -1 3 538.513 7.352 40 10 KKCBHM COc1cc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)c(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000104648721 571382669 /nfs/dbraw/zinc/38/26/69/571382669.db2.gz ZTRWBAKYNOIKAE-GNBJCERTSA-N -1 3 595.039 7.012 40 10 KKCBHM COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104648455 571382677 /nfs/dbraw/zinc/38/26/77/571382677.db2.gz MKCZEKNYIQGDCE-SGIRGMQISA-N -1 3 528.552 6.119 40 10 KKCBHM O=[N+]([O-])c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)c(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104648709 571382694 /nfs/dbraw/zinc/38/26/94/571382694.db2.gz FPYJBDQHVUKGAL-XLNZFTOWSA-N -1 3 549.958 6.894 40 10 KKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OCc4ccc([N+](=O)[O-])cc4)cc2)N3)cc1 ZINC000104648820 571382770 /nfs/dbraw/zinc/38/27/70/571382770.db2.gz HWMYPSGYCQMXSN-NPLMNSEMSA-N -1 3 583.666 6.810 40 10 KKCBHM O=S(=O)([N-]c1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2 ZINC000104649263 571382778 /nfs/dbraw/zinc/38/27/78/571382778.db2.gz LMZNHDJPWJXFJH-BBANNHEPSA-N -1 3 563.506 8.413 40 10 KKCBHM O=S(=O)([N-]c1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000104649225 571382815 /nfs/dbraw/zinc/38/28/15/571382815.db2.gz QPKNQBWLGVAUKI-NHWZYIIXSA-N -1 3 563.506 8.413 40 10 KKCBHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc(Br)ccc2OC)N3)cc1 ZINC000104648889 571382848 /nfs/dbraw/zinc/38/28/48/571382848.db2.gz SXSJSTDQLHWNSV-XXAUWVGASA-N -1 3 555.494 6.484 40 10 KKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc4c(cc2Br)OCO4)N3)cc1OC ZINC000104649732 571383051 /nfs/dbraw/zinc/38/30/51/571383051.db2.gz RXVJJXGXAVSNFO-WNGDZKDKSA-N -1 3 585.476 5.822 40 10 KKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccc(Cl)cc1Cl ZINC000224606501 571585210 /nfs/dbraw/zinc/58/52/10/571585210.db2.gz BOIKIONOXIKOQV-LOSJGSFVSA-N -1 3 509.462 6.679 40 10 KKCBHM COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])c2C)c([N+](=O)[O-])c1 ZINC000224608362 571585730 /nfs/dbraw/zinc/58/57/30/571585730.db2.gz SUXWEYYZFAWXCR-FTJBHMTQSA-N -1 3 515.595 5.289 40 10 KKCBHM CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])cc21 ZINC000224861482 571624213 /nfs/dbraw/zinc/62/42/13/571624213.db2.gz JVVQVHITVZZDRS-JWQCQUIFSA-N -1 3 525.505 6.903 40 10 KKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cccc2ccccc21 ZINC000224867292 571624766 /nfs/dbraw/zinc/62/47/66/571624766.db2.gz WIHMDYOWTPRGOV-WDYNHAJCSA-N -1 3 525.077 7.178 40 10 KKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cccc(Cl)c1 ZINC000224869850 571625060 /nfs/dbraw/zinc/62/50/60/571625060.db2.gz DICFWYIWFLWFDN-DQEYMECFSA-N -1 3 509.462 6.679 40 10 KKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccccc1Br ZINC000224870188 571625124 /nfs/dbraw/zinc/62/51/24/571625124.db2.gz MGOROHANWDFINJ-LOSJGSFVSA-N -1 3 553.913 6.788 40 10 KKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cccc(Br)c1 ZINC000224870286 571625128 /nfs/dbraw/zinc/62/51/28/571625128.db2.gz NPRZTTBCUWLFKX-JWQCQUIFSA-N -1 3 553.913 6.788 40 10 KKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccc(Br)cc1 ZINC000224870547 571625152 /nfs/dbraw/zinc/62/51/52/571625152.db2.gz PPFQTRJCCBPBLG-LOSJGSFVSA-N -1 3 553.913 6.788 40 10 KKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cccc(Cl)c1Cl ZINC000224872349 571625331 /nfs/dbraw/zinc/62/53/31/571625331.db2.gz LIAXYFPOJVVTEH-LOSJGSFVSA-N -1 3 543.907 7.332 40 10 KKCBHM CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])c2C)cc1 ZINC000224872136 571625340 /nfs/dbraw/zinc/62/53/40/571625340.db2.gz ZRJAQLAWRCOZIH-WDYNHAJCSA-N -1 3 546.140 6.871 40 10 KKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cc(C)cc(C)c1 ZINC000224873152 571625489 /nfs/dbraw/zinc/62/54/89/571625489.db2.gz FCKALEKDBZLCIS-KAYWLYCHSA-N -1 3 503.071 6.642 40 10 KKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cc(C)cc(C)c1 ZINC000224873192 571625512 /nfs/dbraw/zinc/62/55/12/571625512.db2.gz FCKALEKDBZLCIS-SXOMAYOGSA-N -1 3 503.071 6.642 40 10 KKCBHM COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c1C ZINC000224873923 571625609 /nfs/dbraw/zinc/62/56/09/571625609.db2.gz DXYSTJGKTYNWBR-FTJBHMTQSA-N -1 3 550.040 5.942 40 10 KKCBHM COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])c2C)c1 ZINC000224886141 571626764 /nfs/dbraw/zinc/62/67/64/571626764.db2.gz ZBEVKFHVOQAOTK-FTJBHMTQSA-N -1 3 533.053 5.812 40 10 KKCBHM COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])c2C)c1 ZINC000224886103 571626768 /nfs/dbraw/zinc/62/67/68/571626768.db2.gz ZBEVKFHVOQAOTK-CLJLJLNGSA-N -1 3 533.053 5.812 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225424236 571790433 /nfs/dbraw/zinc/79/04/33/571790433.db2.gz NBZLDMRXCCAYPK-SVBPBHIXSA-N -1 3 547.706 5.046 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225424793 571791152 /nfs/dbraw/zinc/79/11/52/571791152.db2.gz FCSXPISCVVNYPB-WUFINQPMSA-N -1 3 561.733 5.355 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(F)c3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225425695 571791961 /nfs/dbraw/zinc/79/19/61/571791961.db2.gz PWIPUORJFLBKHN-KAYWLYCHSA-N -1 3 565.696 5.185 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225426326 571793057 /nfs/dbraw/zinc/79/30/57/571793057.db2.gz NKYQESCQRWAUOX-SXOMAYOGSA-N -1 3 582.151 5.700 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)ccc1[N-]S(C)(=O)=O ZINC000225428475 571795692 /nfs/dbraw/zinc/79/56/92/571795692.db2.gz SGXCGGCVCQTPQV-SXOMAYOGSA-N -1 3 616.596 6.353 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225429851 571797448 /nfs/dbraw/zinc/79/74/48/571797448.db2.gz KEOSFBZEJYAGDZ-WDYNHAJCSA-N -1 3 575.760 5.663 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)ccc1[N-]S(C)(=O)=O ZINC000225430165 571797864 /nfs/dbraw/zinc/79/78/64/571797864.db2.gz YDTSNQBPAGMYPP-JDXGNMNLSA-N -1 3 589.787 5.972 40 10 KKCBHM COc1cc(COc2c(Cl)cc(/C=C3/SC([N-]C(C)=O)=NC3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408540338 572205470 /nfs/dbraw/zinc/20/54/70/572205470.db2.gz QIXIKXOOWSQYDV-AFUMVMLFSA-N -1 3 553.036 5.622 40 10 KKCBHM CCOc1cc(COc2ccc(Cl)cc2/C=C2\SC([N-]C(C)=O)=NC2=O)ccc1OCc1ccccc1 ZINC000408540422 572205847 /nfs/dbraw/zinc/20/58/47/572205847.db2.gz RNXJFCHAHQAAEJ-CVKSISIWSA-N -1 3 537.037 6.003 40 10 KKCBHM CCCCCCOc1c(Br)cc(/C=C2/SC([N-]C(C)=O)=NC2=O)cc1Br ZINC000408540894 572206896 /nfs/dbraw/zinc/20/68/96/572206896.db2.gz WVCMRGOMCJCFPP-XNTDXEJSSA-N -1 3 504.244 5.277 40 10 KKCBHM CC(=O)[N-]C1=NC(=O)/C(=C\c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Cl)c2)S1 ZINC000408553018 572239856 /nfs/dbraw/zinc/23/98/56/572239856.db2.gz UJVGCDZRRQHALD-OMCISZLKSA-N -1 3 533.220 5.424 40 10 KKCBHM CCOc1cc(/C=C2/SC([N-]C(C)=O)=NC2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408553557 572241055 /nfs/dbraw/zinc/24/10/55/572241055.db2.gz XHTZOBXPLGBZHK-QGMBQPNBSA-N -1 3 587.279 5.279 40 10 KKCBHM O=S(=O)([N-]c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC3CSC3)cc1)N2 ZINC000408996380 1070365692 /nfs/dbraw/zinc/36/56/92/1070365692.db2.gz DHOGFFCPWXVQAO-AARCXHMLSA-N -1 3 566.748 7.475 40 10 KKCBHM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 ZINC000408999626 1070374721 /nfs/dbraw/zinc/37/47/21/1070374721.db2.gz RNYRSQBCNIFBTG-VYKTZEHYSA-N -1 3 539.122 6.770 40 10 KKCBHM O=C1/C(=C\c2ccc([O-])c(I)c2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000409338128 1070860679 /nfs/dbraw/zinc/86/06/79/1070860679.db2.gz DOBQUHBDWNHWNT-VGOFMYFVSA-N -1 3 507.296 5.421 40 10 KKCBHM Cc1ccc(N2C(=O)/C(=C\c3ccc([O-])c(I)c3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000408904951 1070900765 /nfs/dbraw/zinc/90/07/65/1070900765.db2.gz QYHADAPPIZCKGV-MOSHPQCFSA-N -1 3 554.409 5.362 40 10 KKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC4CSC4)cc2)N3)cc1Cl ZINC000409003294 1071637168 /nfs/dbraw/zinc/63/71/68/1071637168.db2.gz ZGZNFLOOGQPHEK-VYKTZEHYSA-N -1 3 539.122 6.770 40 10 KKCBHM Cc1c(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)c2ccccc2n1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000409353191 1072523912 /nfs/dbraw/zinc/52/39/12/1072523912.db2.gz YYAUPZXKGXBLNI-ZMFRSBBQSA-N -1 3 619.124 5.825 40 10 KKCBHM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409144846 1072532471 /nfs/dbraw/zinc/53/24/71/1072532471.db2.gz LIGPZGGWKXPYQX-ZVHZXABRSA-N -1 3 573.523 6.826 40 10 KKCBHM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc(Br)c1O ZINC000409143464 1072540481 /nfs/dbraw/zinc/54/04/81/1072540481.db2.gz FHYSILHEDCNGLF-CXUHLZMHSA-N -1 3 527.849 5.061 40 10 KKCBHM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409141360 1072554566 /nfs/dbraw/zinc/55/45/66/1072554566.db2.gz NOOSSGOBOHVPFJ-ZVHZXABRSA-N -1 3 582.103 5.529 40 10 KKCBHM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409139354 1072564659 /nfs/dbraw/zinc/56/46/59/1072564659.db2.gz CXVYUZNVBDDVEL-WSDLNYQXSA-N -1 3 621.937 6.684 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3ccccc3OCc3ccc4ccccc4c3)SC2=S)c(Cl)c1 ZINC000409146785 1072580532 /nfs/dbraw/zinc/58/05/32/1072580532.db2.gz VELRYQZCWOYMHS-QQXSKIMKSA-N -1 3 545.085 6.927 40 10 KKCBHM COc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc1OC ZINC000409145570 1072587026 /nfs/dbraw/zinc/58/70/26/1072587026.db2.gz ONVPQYOCBQDDPZ-OYKKKHCWSA-N -1 3 598.102 5.229 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3cn(Cc4c(Cl)cccc4Cl)c4ccccc34)SC2=S)c(Cl)c1 ZINC000409145322 1072588753 /nfs/dbraw/zinc/58/87/53/1072588753.db2.gz OGNSRWRBHTYFBR-MSXFZWOLSA-N -1 3 586.953 7.504 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)cc3)SC2=S)c(Cl)c1 ZINC000409150058 1072630961 /nfs/dbraw/zinc/63/09/61/1072630961.db2.gz ZGAQWQROCFQLOX-SSDVNMTOSA-N -1 3 563.915 7.080 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3Cl)SC2=S)c(Cl)c1 ZINC000409162748 1072667994 /nfs/dbraw/zinc/66/79/94/1072667994.db2.gz ZUPFPFUMHWJMRE-SSDVNMTOSA-N -1 3 563.915 7.080 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])SC2=S)c(Cl)c1 ZINC000409161640 1072676179 /nfs/dbraw/zinc/67/61/79/1072676179.db2.gz NWVDSLKLWRMVLW-UFFVCSGVSA-N -1 3 672.888 7.676 40 10 KKCBHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NN=C3C=C(C(=O)Nc4ccccc4)C(=O)c4ccccc43)c(C)c2)cc1 ZINC000003991880 1073200928 /nfs/dbraw/zinc/20/09/28/1073200928.db2.gz VXMJLPJEVCSJDH-JEIPZWNWSA-N -1 3 550.640 7.631 40 10 KKCBHM O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1cc(Cl)ccc1[O-] ZINC000008819996 553154966 /nfs/dbraw/zinc/15/49/66/553154966.db2.gz DRBRHXDGVIITHO-JAIQZWGSSA-N -1 3 505.017 5.175 40 10 KKCBHM COc1cc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccccc4F)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000009906258 553315474 /nfs/dbraw/zinc/31/54/74/553315474.db2.gz ZMQINXOXSHNGTP-GNBJCERTSA-N -1 3 510.587 5.479 40 10 KKCBHM COc1cc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000058845768 554365971 /nfs/dbraw/zinc/36/59/71/554365971.db2.gz ONDZAOSIWJPNKR-FYQCMVGJSA-N -1 3 506.624 5.648 40 10 KKCBHM COc1cc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C)cc4C)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000058846269 554366023 /nfs/dbraw/zinc/36/60/23/554366023.db2.gz MGMIRARPZMQLKX-PFPZSTESSA-N -1 3 520.651 5.957 40 10 KKCBHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000058846443 554366439 /nfs/dbraw/zinc/36/64/39/554366439.db2.gz AZVCSQUJTDWPJV-VVZHRXSXSA-N -1 3 509.469 6.693 40 10 KKCBHM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(C)c4)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000058846586 554366454 /nfs/dbraw/zinc/36/64/54/554366454.db2.gz OJFVCOUNUJUGKL-NHWZYIIXSA-N -1 3 518.679 6.728 40 10 KKCBHM O=S(=O)([N-]c1cccc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000058847395 554366630 /nfs/dbraw/zinc/36/66/30/554366630.db2.gz MLDAXIALSBRWCW-GLDPYIMESA-N -1 3 505.854 7.274 40 10 KKCBHM COc1cc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000058847155 554366777 /nfs/dbraw/zinc/36/67/77/554366777.db2.gz VSHBVYNWCRGKMQ-LZCXECNNSA-N -1 3 510.587 5.479 40 10 KKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4C)cc3[C@H]3C=CC[C@H]32)cc1OC ZINC000058848047 554367475 /nfs/dbraw/zinc/36/74/75/554367475.db2.gz MYPYMAXZVRVWLB-FYQCMVGJSA-N -1 3 511.043 6.293 40 10 KKCBHM COc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)ccc4C)cc3[C@H]3C=CC[C@H]32)c1OC ZINC000058848163 554367718 /nfs/dbraw/zinc/36/77/18/554367718.db2.gz GSVTXVUKJNPOAG-UNVFRBQDSA-N -1 3 511.043 6.293 40 10 KKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(Cl)c4)cc3[C@H]3C=CC[C@H]32)c(OC)c1 ZINC000058848231 554367752 /nfs/dbraw/zinc/36/77/52/554367752.db2.gz BOLGHJQMEWGWAO-ISCCLHIJSA-N -1 3 511.043 6.293 40 10 KKCBHM COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(Cl)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058848234 554367779 /nfs/dbraw/zinc/36/77/79/554367779.db2.gz OTQQYWATPPKWOE-ISCCLHIJSA-N -1 3 511.043 6.293 40 10 KKCBHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C(=O)OC)cc2)N3)cc1 ZINC000058848648 554368113 /nfs/dbraw/zinc/36/81/13/554368113.db2.gz WZCHHSNATHFBRC-CLCZQPDDSA-N -1 3 504.608 5.499 40 10 KKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Br)N3)cc1 ZINC000058850272 554369748 /nfs/dbraw/zinc/36/97/48/554369748.db2.gz SSCSGVGJBUKCEA-DFIYOIEZSA-N -1 3 511.441 6.085 40 10 KKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3[C@H]3C=CC[C@H]32)cc1OC ZINC000058850092 554369755 /nfs/dbraw/zinc/36/97/55/554369755.db2.gz VJEKQAGEBDXSPO-FVBCXUTKSA-N -1 3 512.631 6.484 40 10 KKCBHM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1cccc2c(NC=C3C(=O)N(c4ccc(Cl)cc4)N=C3C)cccc12 ZINC000101123009 554644088 /nfs/dbraw/zinc/64/40/88/554644088.db2.gz LDLTTXIZNNPMNK-XUIWWLCJSA-N -1 3 595.490 7.584 40 10 KKCBHM COc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc(I)c1[O-] ZINC000103759001 555470829 /nfs/dbraw/zinc/47/08/29/555470829.db2.gz VJSXHDINTIAAER-UHFFFAOYSA-N -1 3 568.367 5.206 40 10 KKCBHM COc1ccc(-c2[n-]n(-c3nc4ccccc4s3)c(=O)c2C(C)=Nc2ccc(Cn3cnnc3)cc2)cc1 ZINC000020288893 571360608 /nfs/dbraw/zinc/36/06/08/571360608.db2.gz DLEDFLSUHVBHIR-BWAHOGKJSA-N -1 3 521.606 5.082 40 10 KKCBHM COC(=O)[C@H](Cc1[n-]c(N=Nc2ccc(Br)cc2)nc1N=Nc1ccc(Br)cc1)NC(C)=O ZINC000104183533 571376202 /nfs/dbraw/zinc/37/62/02/571376202.db2.gz AJOHJTTUNAQXBF-IYCHMQCGSA-N -1 3 577.237 5.986 40 10 KKCBHM COC(=O)[C@H](Cc1nc(N=Nc2ccc(Br)cc2)[n-]c1N=Nc1ccc(Br)cc1)NC(C)=O ZINC000104183533 571376203 /nfs/dbraw/zinc/37/62/03/571376203.db2.gz AJOHJTTUNAQXBF-IYCHMQCGSA-N -1 3 577.237 5.986 40 10 KKCBHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)N2 ZINC000104646009 571381741 /nfs/dbraw/zinc/38/17/41/571381741.db2.gz VBEWTDNINLHCFL-FISMMAAMSA-N -1 3 581.694 7.418 40 10 KKCBHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc4c(cc2Br)OCO4)N3)c1 ZINC000104645925 571381803 /nfs/dbraw/zinc/38/18/03/571381803.db2.gz XODSXRQAARLSRM-CUMRGQLISA-N -1 3 553.478 6.422 40 10 KKCBHM CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc(Br)ccc1OC)N2 ZINC000104645759 571381806 /nfs/dbraw/zinc/38/18/06/571381806.db2.gz GBNIFIVTGYOEBA-ISCCLHIJSA-N -1 3 539.495 6.647 40 10 KKCBHM O=S(=O)([N-]c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2 ZINC000104646252 571381951 /nfs/dbraw/zinc/38/19/51/571381951.db2.gz GKXXFTFDBWXHRX-BBANNHEPSA-N -1 3 547.507 8.288 40 10 KKCBHM O=[N+]([O-])c1ccc(COc2ccc([C@H]3Nc4ccc(S(=O)(=O)[N-]c5ccc(Cl)cc5)cc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000104646852 571382068 /nfs/dbraw/zinc/38/20/68/571382068.db2.gz OXCDMAFNLJSUTF-WTNLLYQRSA-N -1 3 588.085 7.455 40 10 KKCBHM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000104647542 571382234 /nfs/dbraw/zinc/38/22/34/571382234.db2.gz QPLOQKGEBOOEBO-WZOHSFFVSA-N -1 3 529.887 7.038 40 10 KKCBHM COc1cc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4C)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000104647710 571382253 /nfs/dbraw/zinc/38/22/53/571382253.db2.gz XOTVKHBYROTJEO-FYQCMVGJSA-N -1 3 541.069 6.302 40 10 KKCBHM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000104647679 571382348 /nfs/dbraw/zinc/38/23/48/571382348.db2.gz LPYAZFLYBQMSQA-BPYKYCOYSA-N -1 3 529.887 7.038 40 10 KKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Br)cc2)N3)cc1Cl ZINC000104647906 571382375 /nfs/dbraw/zinc/38/23/75/571382375.db2.gz SNJSZOULEXAOAI-BPYKYCOYSA-N -1 3 529.887 7.038 40 10 KKCBHM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Br)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104648244 571382463 /nfs/dbraw/zinc/38/24/63/571382463.db2.gz OFNGQCGZBYBOPY-PPJWLVRDSA-N -1 3 525.468 6.475 40 10 KKCBHM O=S(=O)([N-]c1ccc(Br)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000104648219 571382512 /nfs/dbraw/zinc/38/25/12/571382512.db2.gz HKWBABUXPIVUST-YZUZCNPQSA-N -1 3 560.311 6.839 40 10 KKCBHM COc1cc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(Br)c4)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000104648117 571382524 /nfs/dbraw/zinc/38/25/24/571382524.db2.gz ZMDIUJRJKHZCHV-LZCXECNNSA-N -1 3 571.493 6.102 40 10 KKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(Br)c4)cc3[C@H]3C=CC[C@H]32)cc1OC ZINC000104648067 571382540 /nfs/dbraw/zinc/38/25/40/571382540.db2.gz JJRNDRVQCJFCNT-LZCXECNNSA-N -1 3 541.467 6.094 40 10 KKCBHM COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)c(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104648659 571382663 /nfs/dbraw/zinc/38/26/63/571382663.db2.gz HUACNKMKZSAQEQ-ANSQWYIGSA-N -1 3 565.013 7.003 40 10 KKCBHM CC(C)(C)c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104648521 571382691 /nfs/dbraw/zinc/38/26/91/571382691.db2.gz IGSDXGHAIBNGNB-CLCZQPDDSA-N -1 3 526.624 7.630 40 10 KKCBHM COc1ccc(Br)cc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3ccc(Oc4ccccc4)cc3)cc2[C@H]2C=CC[C@H]21 ZINC000104649365 571382931 /nfs/dbraw/zinc/38/29/31/571382931.db2.gz VIHNCASPGBJQKA-HEHLMWRFSA-N -1 3 603.538 7.877 40 10 KKCBHM O=S(=O)([N-]c1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)OCO3)N2 ZINC000104649372 571383002 /nfs/dbraw/zinc/38/30/02/571383002.db2.gz PTDKKIPBEXXLNE-ADRXYBOHSA-N -1 3 538.625 6.835 40 10 KKCBHM CC(C)(C)c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Oc5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104649401 571383024 /nfs/dbraw/zinc/38/30/24/571383024.db2.gz CLACDNZQEIEXJC-AARCXHMLSA-N -1 3 550.724 8.404 40 10 KKCBHM COc1cc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Oc5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000104649350 571383035 /nfs/dbraw/zinc/38/30/35/571383035.db2.gz RNAGNYAIXYGWJW-PYYUSEHKSA-N -1 3 584.694 7.132 40 10 KKCBHM O=[N+]([O-])c1ccc(COc2ccc([C@H]3Nc4ccc(S(=O)(=O)[N-]c5ccc(-c6ccccc6)cc5)cc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000164465565 571548375 /nfs/dbraw/zinc/54/83/75/571548375.db2.gz JBAGYUSEGDQKRH-YTFBDJPQSA-N -1 3 629.738 8.468 40 10 KKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224592575 571582406 /nfs/dbraw/zinc/58/24/06/571582406.db2.gz ZNMOILCAKVZCRW-VMPREFPWSA-N -1 3 525.678 5.208 40 10 KKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccccc1C(F)(F)F ZINC000224601812 571584193 /nfs/dbraw/zinc/58/41/93/571584193.db2.gz CPQMABGERWPBIB-RPBOFIJWSA-N -1 3 508.569 6.391 40 10 KKCBHM C[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000224704904 571607011 /nfs/dbraw/zinc/60/70/11/571607011.db2.gz BEEIRSVBFVUAFT-CABCVRRESA-N -1 3 554.525 5.373 40 10 KKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccc(Cl)cc1 ZINC000224869955 571625094 /nfs/dbraw/zinc/62/50/94/571625094.db2.gz KRXSPTNDUUNACK-RPBOFIJWSA-N -1 3 509.462 6.679 40 10 KKCBHM COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])c2C)cc1 ZINC000224871207 571625244 /nfs/dbraw/zinc/62/52/44/571625244.db2.gz WNVWZJGGHBLTKW-CLJLJLNGSA-N -1 3 505.043 6.034 40 10 KKCBHM COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])c2C)c1 ZINC000224871063 571625249 /nfs/dbraw/zinc/62/52/49/571625249.db2.gz VJGQGVVHCFEPPK-FTJBHMTQSA-N -1 3 505.043 6.034 40 10 KKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccc(Cl)cc1Cl ZINC000224872524 571625406 /nfs/dbraw/zinc/62/54/06/571625406.db2.gz WGJOBBWNKLUFNT-LOSJGSFVSA-N -1 3 543.907 7.332 40 10 KKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1c(C)cc(C)cc1C ZINC000224873510 571625542 /nfs/dbraw/zinc/62/55/42/571625542.db2.gz QPYVFNCHJDYRGA-IXCJQBJRSA-N -1 3 517.098 6.951 40 10 KKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1c(C)cc(C)cc1C ZINC000224873596 571625558 /nfs/dbraw/zinc/62/55/58/571625558.db2.gz QPYVFNCHJDYRGA-XTEPFMGCSA-N -1 3 517.098 6.951 40 10 KKCBHM COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])c2C)c([N+](=O)[O-])c1 ZINC000224874166 571625588 /nfs/dbraw/zinc/62/55/88/571625588.db2.gz MLOUFHZTASOQJR-UIOOFZCWSA-N -1 3 550.040 5.942 40 10 KKCBHM COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c1C ZINC000224873881 571625628 /nfs/dbraw/zinc/62/56/28/571625628.db2.gz DXYSTJGKTYNWBR-CLJLJLNGSA-N -1 3 550.040 5.942 40 10 KKCBHM COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c1C ZINC000224874816 571625640 /nfs/dbraw/zinc/62/56/40/571625640.db2.gz PMDCVJDCLKMZHL-IZZNHLLZSA-N -1 3 550.040 5.942 40 10 KKCBHM COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c1C ZINC000224874570 571625668 /nfs/dbraw/zinc/62/56/68/571625668.db2.gz LQUITENKAIZQHZ-CLJLJLNGSA-N -1 3 539.488 6.687 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)ccc1[N-]S(C)(=O)=O ZINC000260851059 571750595 /nfs/dbraw/zinc/75/05/95/571750595.db2.gz DBMUARHQNJUUIN-KAYWLYCHSA-N -1 3 598.194 5.924 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)ccc1[N-]S(C)(=O)=O ZINC000225417856 571785215 /nfs/dbraw/zinc/78/52/15/571785215.db2.gz QPQKGLBOJAMLLO-SVBPBHIXSA-N -1 3 563.749 5.271 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)ccc1[N-]S(C)(=O)=O ZINC000225420973 571788385 /nfs/dbraw/zinc/78/83/85/571788385.db2.gz YFJJSIFPEIXQFZ-RRPNLBNLSA-N -1 3 598.150 5.405 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3F)c2C)ccc1[N-]S(C)(=O)=O ZINC000225425410 571791589 /nfs/dbraw/zinc/79/15/89/571791589.db2.gz QNTOMNGWLMOERT-SVBPBHIXSA-N -1 3 565.696 5.185 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3F)c2C)ccc1[N-]S(C)(=O)=O ZINC000225425528 571791879 /nfs/dbraw/zinc/79/18/79/571791879.db2.gz QNTOMNGWLMOERT-KAYWLYCHSA-N -1 3 565.696 5.185 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225426223 571792243 /nfs/dbraw/zinc/79/22/43/571792243.db2.gz VGAOGDDXJXNAIB-KAYWLYCHSA-N -1 3 582.151 5.700 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225426611 571792829 /nfs/dbraw/zinc/79/28/29/571792829.db2.gz ORVKOEKJMMVIFM-SVBPBHIXSA-N -1 3 626.602 5.809 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225426723 571793612 /nfs/dbraw/zinc/79/36/12/571793612.db2.gz ORVKOEKJMMVIFM-KAYWLYCHSA-N -1 3 626.602 5.809 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)ccc1[N-]S(C)(=O)=O ZINC000225429571 571796895 /nfs/dbraw/zinc/79/68/95/571796895.db2.gz QORJCYVSKGCVEM-FQLXRVMXSA-N -1 3 575.760 5.663 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)ccc1[N-]S(C)(=O)=O ZINC000225429525 571797123 /nfs/dbraw/zinc/79/71/23/571797123.db2.gz QORJCYVSKGCVEM-URLMMPGGSA-N -1 3 575.760 5.663 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)ccc1[N-]S(C)(=O)=O ZINC000225431266 571798797 /nfs/dbraw/zinc/79/87/97/571798797.db2.gz SMCJFULAOUJGQR-IZLXSDGUSA-N -1 3 612.177 5.708 40 10 KKCBHM CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc([N-]S(C)(=O)=O)c(OC)c2)c1C ZINC000225431645 571799412 /nfs/dbraw/zinc/79/94/12/571799412.db2.gz ZFGKCQBXHVDVHA-MFMCTBQISA-N -1 3 589.787 5.917 40 10 KKCBHM CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])cc21 ZINC000260917906 571851035 /nfs/dbraw/zinc/85/10/35/571851035.db2.gz JVVQVHITVZZDRS-RPBOFIJWSA-N -1 3 525.505 6.903 40 10 KKCBHM Cc1[n-]n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(=O)c1C=Nc1cc2[nH]c(=O)[nH]c2cc1N1CCN(c2ccccc2)CC1 ZINC000408531394 572175532 /nfs/dbraw/zinc/17/55/32/572175532.db2.gz KLRIALSIIZSXBT-SXBRIOAWSA-N -1 3 627.793 6.781 40 10 KKCBHM CCOc1cc(COc2c(Cl)cc(/C=C3/SC([N-]C(C)=O)=NC3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408539441 572201883 /nfs/dbraw/zinc/20/18/83/572201883.db2.gz HRNKZYMUBOQXFF-CVKSISIWSA-N -1 3 567.063 6.012 40 10 KKCBHM CCOc1cc(COc2c(Cl)cc(/C=C3/SC([N-]C(C)=O)=NC3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408540427 572205898 /nfs/dbraw/zinc/20/58/98/572205898.db2.gz RQXFCSNJDXTPLM-JVWAILMASA-N -1 3 581.090 6.402 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccc(OCC(C)C)c(Br)c3)SC2=S)c(Cl)c1 ZINC000408603005 572273520 /nfs/dbraw/zinc/27/35/20/572273520.db2.gz PPNUKDKUQSRCBZ-VXLYETTFSA-N -1 3 539.904 5.992 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3ccc(OCc4c(F)cccc4Cl)cc3)SC2=S)c(Cl)c1 ZINC000408605736 572274596 /nfs/dbraw/zinc/27/45/96/572274596.db2.gz YQAACQPFNVOWAB-UUYOSTAYSA-N -1 3 547.460 6.566 40 10 KKCBHM CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 ZINC000409001222 1070376452 /nfs/dbraw/zinc/37/64/52/1070376452.db2.gz VODKOKOSBBHRSJ-BOCWGRARSA-N -1 3 518.704 6.371 40 10 KKCBHM COc1cccc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)c1OCc1ccc(Cl)cc1Cl ZINC000409144080 1070572239 /nfs/dbraw/zinc/57/22/39/1070572239.db2.gz JMTDVKYEHDGRBG-SSDVNMTOSA-N -1 3 593.941 7.089 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3ccc(N(C)C)c(Br)c3)SC2=S)c(Cl)c1 ZINC000409343163 1070851108 /nfs/dbraw/zinc/85/11/08/1070851108.db2.gz GFYIFASEPKMEMN-YVLHZVERSA-N -1 3 510.866 5.023 40 10 KKCBHM O=S(=O)([N-]c1cccc2ccccc21)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC3CSC3)cc1)N2 ZINC000408995089 1071555308 /nfs/dbraw/zinc/55/53/08/1071555308.db2.gz ISELWYODCQOUFB-SWFBWHSRSA-N -1 3 540.710 6.961 40 10 KKCBHM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 ZINC000408993794 1071562186 /nfs/dbraw/zinc/56/21/86/1071562186.db2.gz FXCCPKQTQGFKEC-SXDGJLEOSA-N -1 3 539.122 6.770 40 10 KKCBHM COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(OC4CSC4)c2)N3)c1 ZINC000409001866 1071642946 /nfs/dbraw/zinc/64/29/46/1071642946.db2.gz XEVTYQGETHSGML-BXTSTYNKSA-N -1 3 520.676 5.817 40 10 KKCBHM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC3CSC3)cc1)N2 ZINC000408997446 1071663331 /nfs/dbraw/zinc/66/33/31/1071663331.db2.gz GDZMZMACVVNUMZ-VYKTZEHYSA-N -1 3 539.122 6.770 40 10 KKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(OC4CSC4)c2)N3)cc1OC ZINC000409336598 1072329040 /nfs/dbraw/zinc/32/90/40/1072329040.db2.gz QESHTUBAKOQUNU-CTVOUCONSA-N -1 3 550.702 5.825 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccccc3OCC(=O)Nc3ccccc3)SC2=S)c(Cl)c1 ZINC000409346730 1072413524 /nfs/dbraw/zinc/41/35/24/1072413524.db2.gz OGYZKOHYLOQRQM-HYARGMPZSA-N -1 3 538.050 5.212 40 10 KKCBHM COc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc(Br)c1[O-] ZINC000409343571 1072440832 /nfs/dbraw/zinc/44/08/32/1072440832.db2.gz HTEOFQRIOFQUFC-RIYZIHGNSA-N -1 3 501.221 5.332 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3ccc(OC(C)C)c(Br)c3)SC2=S)c(Cl)c1 ZINC000409340343 1072468030 /nfs/dbraw/zinc/46/80/30/1072468030.db2.gz VOVLISYXYPATSG-ZDLGFXPLSA-N -1 3 525.877 5.744 40 10 KKCBHM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc(I)c1OCc1ccccc1 ZINC000409144814 1072531991 /nfs/dbraw/zinc/53/19/91/1072531991.db2.gz LBSKQUPUQFKLDK-OEAKJJBVSA-N -1 3 664.974 6.777 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)SC2=S)c(Cl)c1 ZINC000409144457 1072533399 /nfs/dbraw/zinc/53/33/99/1072533399.db2.gz KFKIPHAPAWBXQT-UUYOSTAYSA-N -1 3 618.918 6.444 40 10 KKCBHM COc1cc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409143367 1072541669 /nfs/dbraw/zinc/54/16/69/1072541669.db2.gz DSTVDRIRJUSKDY-FMCGGJTJSA-N -1 3 613.073 5.129 40 10 KKCBHM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000409142965 1072544492 /nfs/dbraw/zinc/54/44/92/1072544492.db2.gz GEFRFQCXZKUWOM-FOKLQQMPSA-N -1 3 681.417 6.637 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3cc(Br)c(OCc4ccc(F)cc4)c(Br)c3)SC2=S)c(Cl)c1 ZINC000409142833 1072546317 /nfs/dbraw/zinc/54/63/17/1072546317.db2.gz CMMIXEMAOUDFHT-SRZZPIQSSA-N -1 3 670.807 7.438 40 10 KKCBHM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409142070 1072550497 /nfs/dbraw/zinc/55/04/97/1072550497.db2.gz AWOVKNWSGUIRLW-AFUMVMLFSA-N -1 3 596.130 5.838 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3cccc(OCCOc4ccccc4)c3)SC2=S)c(Cl)c1 ZINC000409140564 1072558047 /nfs/dbraw/zinc/55/80/47/1072558047.db2.gz JBXKEHAXVKUNRZ-XQNSMLJCSA-N -1 3 525.051 5.652 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3c(OCc4ccc(Cl)cc4)ccc4ccccc43)SC2=S)c(Cl)c1 ZINC000409347480 1072563878 /nfs/dbraw/zinc/56/38/78/1072563878.db2.gz QDPOAENWKJVZDL-CVKSISIWSA-N -1 3 579.530 7.580 40 10 KKCBHM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc(Cl)c1OCC ZINC000409139307 1072566130 /nfs/dbraw/zinc/56/61/30/1072566130.db2.gz CMDUPVITFUQCEF-WOJGMQOQSA-N -1 3 511.452 5.645 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)SC2=S)c(Cl)c1 ZINC000409146367 1072581522 /nfs/dbraw/zinc/58/15/22/1072581522.db2.gz SMAWTNLYEOYNAW-SRZZPIQSSA-N -1 3 528.011 5.980 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccccc3OCc3ccccc3Cl)SC2=S)c(Cl)c1 ZINC000409146260 1072582338 /nfs/dbraw/zinc/58/23/38/1072582338.db2.gz SAMPJDBMJSLVGA-LPYMAVHISA-N -1 3 529.470 6.427 40 10 KKCBHM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCc1ccccc1Cl ZINC000409146057 1072585055 /nfs/dbraw/zinc/58/50/55/1072585055.db2.gz QJVLNPMCRXSRMY-ZVHZXABRSA-N -1 3 573.523 6.826 40 10 KKCBHM COc1ccc(C(=O)Oc2ccc(/C=C3/SC(=S)N([N-]C(=O)c4ccc(C)cc4Cl)C3=O)cc2)cc1 ZINC000409145889 1072585615 /nfs/dbraw/zinc/58/56/15/1072585615.db2.gz QMQGGNUXLGSDEK-HYARGMPZSA-N -1 3 539.034 5.422 40 10 KKCBHM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCc1ccccc1F ZINC000409147333 1072590719 /nfs/dbraw/zinc/59/07/19/1072590719.db2.gz YOUHSZSMTWLBBI-ZVHZXABRSA-N -1 3 557.068 6.311 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccccc3F)SC2=S)c(Cl)c1 ZINC000409149664 1072635100 /nfs/dbraw/zinc/63/51/00/1072635100.db2.gz MPGXLXDWWLJFGT-UUYOSTAYSA-N -1 3 591.911 6.675 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)SC2=S)c(Cl)c1 ZINC000409148398 1072642208 /nfs/dbraw/zinc/64/22/08/1072642208.db2.gz YXEJJOMODFLTGZ-YBFXNURJSA-N -1 3 533.856 6.217 40 10 KKCBHM CCCOc1c(I)cc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc1OC ZINC000409162581 1072668483 /nfs/dbraw/zinc/66/84/83/1072668483.db2.gz XKDHGCWCAJFKFX-WQRHYEAKSA-N -1 3 602.903 5.597 40 10 KKCBHM CCOc1cc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1Oc1nc(Cl)ncc1F ZINC000409160328 1072684067 /nfs/dbraw/zinc/68/40/67/1072684067.db2.gz GNNNJPZIRTWNRS-VXLYETTFSA-N -1 3 579.462 5.968 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)SC2=S)c(Cl)c1 ZINC000409199000 1072927322 /nfs/dbraw/zinc/92/73/22/1072927322.db2.gz GNTMUQCQPSFYBI-RGVLZGJSSA-N -1 3 513.984 5.671 40 10 KKCBHM COc1cc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc(Br)c1[O-] ZINC000409252136 1073189222 /nfs/dbraw/zinc/18/92/22/1073189222.db2.gz QTDKJFWKTBKONS-MOSHPQCFSA-N -1 3 514.422 6.361 40 10 KKCBHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(NS(=O)(=O)c3c(C)cc(C)cc3C)c(Cl)c2)c(C)c1 ZINC000003077287 552285286 /nfs/dbraw/zinc/28/52/86/552285286.db2.gz VMUWEFHSXPQLCV-UHFFFAOYSA-N -1 3 507.077 5.792 40 10 KKCBHM CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000058846093 554365954 /nfs/dbraw/zinc/36/59/54/554365954.db2.gz UHLIEUFWPFPQJF-VVZHRXSXSA-N -1 3 509.469 6.639 40 10 KKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C(C)C)cc4)cc3[C@H]3C=CC[C@H]32)cc1OC ZINC000058846824 554366523 /nfs/dbraw/zinc/36/65/23/554366523.db2.gz ULMGALOJEMLMII-CTVOUCONSA-N -1 3 504.652 6.455 40 10 KKCBHM COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4C)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058848042 554367351 /nfs/dbraw/zinc/36/73/51/554367351.db2.gz SSWUPLDJNRCPLW-ISCCLHIJSA-N -1 3 511.043 6.293 40 10 KKCBHM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000058848378 554367785 /nfs/dbraw/zinc/36/77/85/554367785.db2.gz APSUUSZYJFLGRJ-YZUZCNPQSA-N -1 3 504.961 6.986 40 10 KKCBHM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058848391 554367960 /nfs/dbraw/zinc/36/79/60/554367960.db2.gz FWJNDYMWZZSEHY-PPJWLVRDSA-N -1 3 514.569 6.731 40 10 KKCBHM COc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058848385 554368169 /nfs/dbraw/zinc/36/81/69/554368169.db2.gz XLQYIRNPEFYXMR-SGIRGMQISA-N -1 3 500.542 6.341 40 10 KKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(F)cccc2Cl)N3)cc1Cl ZINC000058850259 554369685 /nfs/dbraw/zinc/36/96/85/554369685.db2.gz SZPYBEAPHYOGMW-ATLLOTDBSA-N -1 3 503.426 7.068 40 10 KKCBHM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(F)cccc1Cl)N2 ZINC000058850255 554369826 /nfs/dbraw/zinc/36/98/26/554369826.db2.gz BGPCMRRIZAXWFU-ATLLOTDBSA-N -1 3 503.426 7.068 40 10 KKCBHM O=S(=O)([N-]c1cccc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Br)N2 ZINC000058850242 554369872 /nfs/dbraw/zinc/36/98/72/554369872.db2.gz OQCMDFJATLHDGW-GLDPYIMESA-N -1 3 515.860 6.730 40 10 KKCBHM O=C(NC(=S)[N-]c1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000059331436 554388671 /nfs/dbraw/zinc/38/86/71/554388671.db2.gz JACYPDMJZLLZTA-UHFFFAOYSA-N -1 3 523.014 5.596 40 10 KKCBHM O=C([N-]N1C(=O)/C(=C2/C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC1=S)c1ccccc1Cl ZINC000101743833 554834285 /nfs/dbraw/zinc/83/42/85/554834285.db2.gz JVYHKCUNRDNEOB-MRCUWXFGSA-N -1 3 540.453 5.457 40 10 KKCBHM COC(=O)C=c1[n-]n(-c2nc3ccccc3s2)c(=O)c1=C(C)Nc1ccc(Nc2ccc(OC)cc2)cc1 ZINC000103919401 571369724 /nfs/dbraw/zinc/36/97/24/571369724.db2.gz QFLUXSYLPWZPTO-ONUIUJJFSA-N -1 3 527.606 5.700 40 10 KKCBHM C[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1)c1ccc(N2CCCCC2)cc1 ZINC000222627065 571377937 /nfs/dbraw/zinc/37/79/37/571377937.db2.gz PRZHCXIPYAIJMA-AWEZNQCLSA-N -1 3 540.498 5.127 40 10 KKCBHM CC(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OCc4ccc([N+](=O)[O-])cc4)cc2)N3)cc1 ZINC000104646195 571381912 /nfs/dbraw/zinc/38/19/12/571381912.db2.gz XROJDAIMHAIPHO-BEJSXWRTSA-N -1 3 595.721 7.925 40 10 KKCBHM O=S(=O)([N-]c1cccc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 ZINC000104646760 571381987 /nfs/dbraw/zinc/38/19/87/571381987.db2.gz XNNVQOQZDDKIFX-ATLLOTDBSA-N -1 3 559.869 6.459 40 10 KKCBHM COc1ccc(Br)cc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2[C@H]2C=CC[C@H]21 ZINC000104646454 571381989 /nfs/dbraw/zinc/38/19/89/571381989.db2.gz ONHGNUYLLNFMAH-ATLLOTDBSA-N -1 3 529.431 6.224 40 10 KKCBHM O=[N+]([O-])c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(-c5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104646319 571381995 /nfs/dbraw/zinc/38/19/95/571381995.db2.gz JCDVTMQLEKUHGO-PVTPYKNESA-N -1 3 523.614 6.889 40 10 KKCBHM COc1ccc(Br)cc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cc2[C@H]2C=CC[C@H]21 ZINC000104646109 571382002 /nfs/dbraw/zinc/38/20/02/571382002.db2.gz YISJIMLEPFFZMA-XXAUWVGASA-N -1 3 539.495 6.702 40 10 KKCBHM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000104647404 571382230 /nfs/dbraw/zinc/38/22/30/571382230.db2.gz GNNLPSQLGQDYIQ-YZUZCNPQSA-N -1 3 550.305 7.383 40 10 KKCBHM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000104647657 571382323 /nfs/dbraw/zinc/38/23/23/571382323.db2.gz JEBLLXFPHQLDNP-CEYNDMKZSA-N -1 3 519.881 7.583 40 10 KKCBHM COc1cc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)ccc4C)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000104647832 571382354 /nfs/dbraw/zinc/38/23/54/571382354.db2.gz ZBVYKORZBLMJKK-FYQCMVGJSA-N -1 3 541.069 6.302 40 10 KKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4C)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000104647723 571382362 /nfs/dbraw/zinc/38/23/62/571382362.db2.gz UGHZCKSCIPJOTM-OUDXUNEISA-N -1 3 526.014 6.193 40 10 KKCBHM COc1cc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4C)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000104647583 571382370 /nfs/dbraw/zinc/38/23/70/571382370.db2.gz SDPNAKLBWFKTDV-ASHZAFPQSA-N -1 3 541.069 6.302 40 10 KKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)cc1OC ZINC000104648446 571382634 /nfs/dbraw/zinc/38/26/34/571382634.db2.gz LORJOKSDFSFVAZ-LZCXECNNSA-N -1 3 530.568 6.350 40 10 KKCBHM COc1ccc(Br)cc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2[C@H]2C=CC[C@H]21 ZINC000104648733 571382667 /nfs/dbraw/zinc/38/26/67/571382667.db2.gz PYPBIEBTNQHUSS-ATLLOTDBSA-N -1 3 613.883 7.757 40 10 KKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(Cl)cccc2Cl)N3)cc1OC ZINC000104649674 571383055 /nfs/dbraw/zinc/38/30/55/571383055.db2.gz FISMJMVCBHUHLB-DFXHWTJYSA-N -1 3 531.461 6.638 40 10 KKCBHM COc1cc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000104650264 571383306 /nfs/dbraw/zinc/38/33/06/571383306.db2.gz ZTZWLDNEUFKTJJ-FVBCXUTKSA-N -1 3 542.657 6.493 40 10 KKCBHM COc1c(Br)cc(Br)cc1C(=O)NC(=S)[N-]c1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000105305449 571393660 /nfs/dbraw/zinc/39/36/60/571393660.db2.gz RLMMAWSETMTNFL-UHFFFAOYSA-N -1 3 582.701 6.231 40 10 KKCBHM O=C(NC(=S)[N-]c1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000105308245 571395010 /nfs/dbraw/zinc/39/50/10/571395010.db2.gz LLRCQHNKGYTUIR-UHFFFAOYSA-N -1 3 529.832 7.265 40 10 KKCBHM O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)Nc3cc(Cl)ccc3O)C2=O)SC1=S)Nc1cc(Cl)ccc1[O-] ZINC000150469995 571509097 /nfs/dbraw/zinc/50/90/97/571509097.db2.gz FRLLCOVLLHBDFW-OCEACIFDSA-N -1 3 741.766 7.035 40 10 KKCBHM O=[N+]([O-])c1ccc(COc2ccc([C@H]3Nc4ccc(S(=O)(=O)[N-]c5cc(Cl)cc(Cl)c5)cc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000164469580 571548598 /nfs/dbraw/zinc/54/85/98/571548598.db2.gz YROZAFJQUXGRCM-WTNLLYQRSA-N -1 3 622.530 8.108 40 10 KKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccccc1C(F)(F)F ZINC000224601905 571584216 /nfs/dbraw/zinc/58/42/16/571584216.db2.gz CPQMABGERWPBIB-DQEYMECFSA-N -1 3 508.569 6.391 40 10 KKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccccc1Br ZINC000224603680 571584614 /nfs/dbraw/zinc/58/46/14/571584614.db2.gz JAUZLBJBODOYSL-RPBOFIJWSA-N -1 3 519.468 6.134 40 10 KKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccccc1Br ZINC000224603630 571584623 /nfs/dbraw/zinc/58/46/23/571584623.db2.gz JAUZLBJBODOYSL-JWQCQUIFSA-N -1 3 519.468 6.134 40 10 KKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cccc(Br)c1 ZINC000224603991 571584653 /nfs/dbraw/zinc/58/46/53/571584653.db2.gz PEZPUAFHUZCFDF-DQEYMECFSA-N -1 3 519.468 6.134 40 10 KKCBHM CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])c2C)cc1 ZINC000224605968 571585125 /nfs/dbraw/zinc/58/51/25/571585125.db2.gz MWYSEPPMWLJDEX-FQLXRVMXSA-N -1 3 511.695 6.218 40 10 KKCBHM COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c1C ZINC000224609145 571585869 /nfs/dbraw/zinc/58/58/69/571585869.db2.gz KVHIMXUMHIKXBD-CLJLJLNGSA-N -1 3 515.595 5.289 40 10 KKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cc(Cl)ccc1O ZINC000224864470 571624516 /nfs/dbraw/zinc/62/45/16/571624516.db2.gz QHBIXDPASPTFMT-DQEYMECFSA-N -1 3 525.461 6.384 40 10 KKCBHM CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])c2C)cc1 ZINC000224868869 571624974 /nfs/dbraw/zinc/62/49/74/571624974.db2.gz KRHMJFVWLZJDDJ-SXOMAYOGSA-N -1 3 503.071 6.588 40 10 KKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccccc1Br ZINC000224870102 571625119 /nfs/dbraw/zinc/62/51/19/571625119.db2.gz MGOROHANWDFINJ-JWQCQUIFSA-N -1 3 553.913 6.788 40 10 KKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cc(C)ccc1C ZINC000224872846 571625440 /nfs/dbraw/zinc/62/54/40/571625440.db2.gz HQMPSNFAXFTYDT-SXOMAYOGSA-N -1 3 503.071 6.642 40 10 KKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccc(Cl)cc1Cl ZINC000224872483 571625442 /nfs/dbraw/zinc/62/54/42/571625442.db2.gz WGJOBBWNKLUFNT-RPBOFIJWSA-N -1 3 543.907 7.332 40 10 KKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cccc(C)c1C ZINC000224872746 571625453 /nfs/dbraw/zinc/62/54/53/571625453.db2.gz CXLAJROPSHBYPJ-SVBPBHIXSA-N -1 3 503.071 6.642 40 10 KKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1c(C)cccc1C ZINC000224873019 571625480 /nfs/dbraw/zinc/62/54/80/571625480.db2.gz YOMUXASPZALCFV-VPUSJEBWSA-N -1 3 503.071 6.642 40 10 KKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cccc(Cl)c1C ZINC000224873823 571625555 /nfs/dbraw/zinc/62/55/55/571625555.db2.gz BZIMFUGSYJWNQT-UIOOFZCWSA-N -1 3 523.489 6.987 40 10 KKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cc(Cl)ccc1C ZINC000224874228 571625585 /nfs/dbraw/zinc/62/55/85/571625585.db2.gz SBSOWQIIKPIOBI-CLJLJLNGSA-N -1 3 523.489 6.987 40 10 KKCBHM COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c1C ZINC000224874001 571625592 /nfs/dbraw/zinc/62/55/92/571625592.db2.gz DXYSTJGKTYNWBR-UIOOFZCWSA-N -1 3 550.040 5.942 40 10 KKCBHM CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c1C ZINC000224874989 571625710 /nfs/dbraw/zinc/62/57/10/571625710.db2.gz OVQSBCSGMMUNFF-XTEPFMGCSA-N -1 3 517.098 6.896 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)ccc1[N-]S(C)(=O)=O ZINC000225424890 571791137 /nfs/dbraw/zinc/79/11/37/571791137.db2.gz OCNQWCVRGSREBY-SVBPBHIXSA-N -1 3 615.703 6.065 40 10 KKCBHM CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc([N-]S(C)(=O)=O)c(OC)c2)c1C ZINC000225425060 571791450 /nfs/dbraw/zinc/79/14/50/571791450.db2.gz QBMZKSZWOVUCKW-FQLXRVMXSA-N -1 3 575.760 5.609 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Br)c2C)ccc1[N-]S(C)(=O)=O ZINC000225426451 571793012 /nfs/dbraw/zinc/79/30/12/571793012.db2.gz JUQJBSIPFIGCAX-SVBPBHIXSA-N -1 3 626.602 5.809 40 10 KKCBHM COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc([N-]S(C)(=O)=O)c(OC)c3)c2C)cc1 ZINC000225427494 571793924 /nfs/dbraw/zinc/79/39/24/571793924.db2.gz YBDSGDRMWJZJJU-IZLXSDGUSA-N -1 3 577.732 5.055 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3cc(Br)ccc3OCc3ccccc3Cl)SC2=S)c(Cl)c1 ZINC000409149318 1070567377 /nfs/dbraw/zinc/56/73/77/1070567377.db2.gz BKHITPVYZMRRPA-WSDLNYQXSA-N -1 3 608.366 7.190 40 10 KKCBHM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000409161197 1070576175 /nfs/dbraw/zinc/57/61/75/1070576175.db2.gz KSESWYLPSKOVSK-WSDLNYQXSA-N -1 3 621.937 6.684 40 10 KKCBHM COc1cc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409183500 1070602357 /nfs/dbraw/zinc/60/23/57/1070602357.db2.gz UGYKQNDEGDCSHR-YSMPRRRNSA-N -1 3 610.157 6.344 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccc(-c4ccccc4C(F)(F)F)o3)SC2=S)c(Cl)c1 ZINC000409207025 1070623075 /nfs/dbraw/zinc/62/30/75/1070623075.db2.gz YXFRFRZXOIPZQO-YBFXNURJSA-N -1 3 522.957 6.473 40 10 KKCBHM O=S(=O)([N-]c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 ZINC000408993230 1071566570 /nfs/dbraw/zinc/56/65/70/1071566570.db2.gz VFVWIYXBRUPXBJ-AARCXHMLSA-N -1 3 566.748 7.475 40 10 KKCBHM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC3CSC3)cc1)N2 ZINC000409002946 1071639211 /nfs/dbraw/zinc/63/92/11/1071639211.db2.gz XLDOOSTZXBUIGZ-CLCZQPDDSA-N -1 3 558.647 6.827 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)SC2=S)c(Cl)c1 ZINC000409346050 1072419778 /nfs/dbraw/zinc/41/97/78/1072419778.db2.gz MLQOHUYRTJWECL-CFRMEGHHSA-N -1 3 536.053 6.337 40 10 KKCBHM CCOc1c(I)cc(I)cc1/C=C1/SC(=S)N([N-]C(=O)c2ccc(C)cc2Cl)C1=O ZINC000409144288 1072536754 /nfs/dbraw/zinc/53/67/54/1072536754.db2.gz XRSRPIRRFFTKPS-LZYBPNLTSA-N -1 3 684.746 5.803 40 10 KKCBHM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1O[C@@H](C)CC ZINC000409142864 1072543944 /nfs/dbraw/zinc/54/39/44/1072543944.db2.gz DEISJSODXLNBAS-PCXKXAPESA-N -1 3 505.061 5.771 40 10 KKCBHM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1O[C@H](C)CC ZINC000409142861 1072544088 /nfs/dbraw/zinc/54/40/88/1072544088.db2.gz DEISJSODXLNBAS-NWGMWSOJSA-N -1 3 505.061 5.771 40 10 KKCBHM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409139333 1072566186 /nfs/dbraw/zinc/56/61/86/1072566186.db2.gz CVPBMFJEBYVCRI-JVWAILMASA-N -1 3 575.111 6.935 40 10 KKCBHM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000409145505 1072586521 /nfs/dbraw/zinc/58/65/21/1072586521.db2.gz OAVFXBCBHCKDNG-NDENLUEZSA-N -1 3 557.009 5.299 40 10 KKCBHM Cc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000409149877 1072631977 /nfs/dbraw/zinc/63/19/77/1072631977.db2.gz TZEWZOIGGHVPKM-CIAFOILYSA-N -1 3 516.475 6.256 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3cccc(OCc4cccc5ccccc54)c3)SC2=S)c(Cl)c1 ZINC000409149767 1072633591 /nfs/dbraw/zinc/63/35/91/1072633591.db2.gz QFYXWQDYKPQFNU-WGOQTCKBSA-N -1 3 545.085 6.927 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)SC2=S)c(Cl)c1 ZINC000409149597 1072634128 /nfs/dbraw/zinc/63/41/28/1072634128.db2.gz KUIRXFNHLLHJES-NHDPSOOVSA-N -1 3 528.011 5.980 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(Br)c3)SC2=S)c(Cl)c1 ZINC000409149696 1072635129 /nfs/dbraw/zinc/63/51/29/1072635129.db2.gz NTIHBKHCOXFLFM-LSHDLFTRSA-N -1 3 642.811 7.843 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)SC2=S)c(Cl)c1 ZINC000409147501 1072650000 /nfs/dbraw/zinc/65/00/00/1072650000.db2.gz ZJZJHDPDYDEARK-VXLYETTFSA-N -1 3 534.402 6.016 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3cc(I)cc(I)c3OCc3ccccc3)SC2=S)c(Cl)c1 ZINC000409160250 1072683583 /nfs/dbraw/zinc/68/35/83/1072683583.db2.gz FHXFKJXALQYMLS-SRZZPIQSSA-N -1 3 746.817 6.983 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3cn(CCOc4ccccc4)c4ccccc34)SC2=S)c(Cl)c1 ZINC000409207498 1072942689 /nfs/dbraw/zinc/94/26/89/1072942689.db2.gz VHOSIASWAFRJAR-XYGWBWBKSA-N -1 3 548.089 6.228 40 10 KKCBHM COc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)c1OC ZINC000008454095 553067629 /nfs/dbraw/zinc/06/76/29/553067629.db2.gz LQQIXQDMWOHGAZ-DFIYOIEZSA-N -1 3 530.568 6.350 40 10 KKCBHM Cc1c(Cl)cccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1cc(Br)ccc1O ZINC000018068973 553603424 /nfs/dbraw/zinc/60/34/24/553603424.db2.gz SWMUVSSUYHLGER-FSSWDIPSSA-N -1 3 513.775 5.168 40 10 KKCBHM O=C(c1cc2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)n2n1)N1N=C(c2ccc(Br)s2)C[C@@H]1c1cc(Br)ccc1[O-] ZINC000097949289 553801125 /nfs/dbraw/zinc/80/11/25/553801125.db2.gz JJDBMENZTHNGMG-MRXNPFEDSA-N -1 3 731.801 8.414 40 10 KKCBHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N3)c1 ZINC000058846334 554365964 /nfs/dbraw/zinc/36/59/64/554365964.db2.gz GXOUNMSNZUASNS-UNVFRBQDSA-N -1 3 510.015 6.492 40 10 KKCBHM CC(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C(C)(C)C)cc2)N3)cc1 ZINC000058846871 554366337 /nfs/dbraw/zinc/36/63/37/554366337.db2.gz SFWZRJISYHRDNM-PVTPYKNESA-N -1 3 500.708 7.735 40 10 KKCBHM COc1cc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4c(C)cccc4C)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000058846486 554366362 /nfs/dbraw/zinc/36/63/62/554366362.db2.gz MNBUHEUQDJNOFT-PFPZSTESSA-N -1 3 520.651 5.957 40 10 KKCBHM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(C)cc(C)c4)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000058846726 554366545 /nfs/dbraw/zinc/36/65/45/554366545.db2.gz VCPDMSRTOINYPP-NHWZYIIXSA-N -1 3 518.679 6.728 40 10 KKCBHM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000058847522 554366612 /nfs/dbraw/zinc/36/66/12/554366612.db2.gz OZOLBSHSQBIJFL-XLNZFTOWSA-N -1 3 505.854 7.274 40 10 KKCBHM O=S(=O)([N-]c1cccc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2 ZINC000058847409 554366810 /nfs/dbraw/zinc/36/68/10/554366810.db2.gz CUJNKNRXZQHVCZ-RHGYRFJNSA-N -1 3 505.854 7.274 40 10 KKCBHM COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3ccc(-c4ccccc4)cc3)cc2[C@H]2C=CC[C@H]21 ZINC000058846918 554366792 /nfs/dbraw/zinc/36/67/92/554366792.db2.gz FJNXJQLYGLYJTP-HEHLMWRFSA-N -1 3 508.643 6.990 40 10 KKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058847861 554367333 /nfs/dbraw/zinc/36/73/33/554367333.db2.gz SFRHOSSUGQXRTG-SGIRGMQISA-N -1 3 501.435 6.629 40 10 KKCBHM Cc1ccc(C)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Br)cc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058848332 554367611 /nfs/dbraw/zinc/36/76/11/554367611.db2.gz RRNPUTZUJDHBBO-VRUMLPLGSA-N -1 3 509.469 6.693 40 10 KKCBHM COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2[C@H]2C=CC[C@H]21 ZINC000058848382 554367667 /nfs/dbraw/zinc/36/76/67/554367667.db2.gz ULOVAUCDTKFETF-DFIYOIEZSA-N -1 3 500.542 6.341 40 10 KKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc1OC ZINC000058848236 554367746 /nfs/dbraw/zinc/36/77/46/554367746.db2.gz BUISFARAQOESNX-FYQCMVGJSA-N -1 3 511.043 6.293 40 10 KKCBHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)c(Cl)c2)N3)cc1 ZINC000058848588 554368014 /nfs/dbraw/zinc/36/80/14/554368014.db2.gz YFGFNCQVOYRLBT-LZCXECNNSA-N -1 3 515.462 7.019 40 10 KKCBHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc(OC)ccc2OC)N3)cc1 ZINC000058848626 554368036 /nfs/dbraw/zinc/36/80/36/554368036.db2.gz FGDBMWYFEACTMX-JWZKTCGFSA-N -1 3 506.624 5.730 40 10 KKCBHM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(OC)cc4)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000058848530 554368070 /nfs/dbraw/zinc/36/80/70/554368070.db2.gz PKMQQJJWNOOTID-CTVOUCONSA-N -1 3 520.651 6.120 40 10 KKCBHM Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)c(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058848424 554368148 /nfs/dbraw/zinc/36/81/48/554368148.db2.gz GKUZWZSONKNXIT-WZOHSFFVSA-N -1 3 518.988 7.295 40 10 KKCBHM COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC)c([N+](=O)[O-])c2)N3)c1 ZINC000058848856 554368458 /nfs/dbraw/zinc/36/84/58/554368458.db2.gz LYMYWABKJKQBIO-LZCXECNNSA-N -1 3 507.568 5.239 40 10 KKCBHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Br)N3)c1 ZINC000058850220 554369680 /nfs/dbraw/zinc/36/96/80/554369680.db2.gz PDOMPCVWKYNJDR-UZINWLIJSA-N -1 3 509.469 6.693 40 10 KKCBHM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(F)cccc1Cl)N2 ZINC000058850254 554369718 /nfs/dbraw/zinc/36/97/18/554369718.db2.gz VQGMKSGVAWZFTD-ATLLOTDBSA-N -1 3 503.426 7.068 40 10 KKCBHM CCOc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc(I)c1[O-] ZINC000103759007 555470803 /nfs/dbraw/zinc/47/08/03/555470803.db2.gz KAEIERBSKDIPII-UHFFFAOYSA-N -1 3 582.394 5.596 40 10 KKCBHM CC(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N3)cc1 ZINC000104646142 571381935 /nfs/dbraw/zinc/38/19/35/571381935.db2.gz UZFWPQIBJGUFON-XXAUWVGASA-N -1 3 524.042 6.999 40 10 KKCBHM COc1cc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000104646827 571382081 /nfs/dbraw/zinc/38/20/81/571382081.db2.gz OXXGHHNCZAQWOV-LZCXECNNSA-N -1 3 527.042 5.993 40 10 KKCBHM COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104647451 571382161 /nfs/dbraw/zinc/38/21/61/571382161.db2.gz GGRRSBIHMHTPBG-SGIRGMQISA-N -1 3 529.445 6.407 40 10 KKCBHM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2 ZINC000104647554 571382221 /nfs/dbraw/zinc/38/22/21/571382221.db2.gz VQWHSOWEBYIOMJ-QLODZENZSA-N -1 3 519.881 7.583 40 10 KKCBHM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000104647532 571382240 /nfs/dbraw/zinc/38/22/40/571382240.db2.gz SSOFHGUYWNSHTO-YYULODDRSA-N -1 3 519.881 7.583 40 10 KKCBHM O=S(=O)([N-]c1ccc(Br)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000104648195 571382506 /nfs/dbraw/zinc/38/25/06/571382506.db2.gz QUFHPTGNOVWVRI-XLNZFTOWSA-N -1 3 550.305 7.383 40 10 KKCBHM CC(C)(C)c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Br)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104648358 571382518 /nfs/dbraw/zinc/38/25/18/571382518.db2.gz JOUYPTSOGGFCNA-CLCZQPDDSA-N -1 3 537.523 7.374 40 10 KKCBHM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2 ZINC000104648421 571382641 /nfs/dbraw/zinc/38/26/41/571382641.db2.gz DLLKZWGMNBWSHP-RHGYRFJNSA-N -1 3 539.406 7.640 40 10 KKCBHM COc1cc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000104648472 571382699 /nfs/dbraw/zinc/38/26/99/571382699.db2.gz NBUZRTRYRMRPSV-LZCXECNNSA-N -1 3 560.594 6.359 40 10 KKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Oc5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104649278 571382808 /nfs/dbraw/zinc/38/28/08/571382808.db2.gz IREIKKCQRQAITL-WTNLLYQRSA-N -1 3 524.642 7.115 40 10 KKCBHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc(OC)c(OC)c(OC)c2)N3)cc1 ZINC000104648885 571382874 /nfs/dbraw/zinc/38/28/74/571382874.db2.gz JMIBWUGOUDFLJI-SXDGJLEOSA-N -1 3 536.650 5.738 40 10 KKCBHM O=[N+]([O-])c1ccc(COc2ccc([C@H]3Nc4ccc(S(=O)(=O)[N-]c5cccc6ccccc65)cc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000104650306 571383294 /nfs/dbraw/zinc/38/32/94/571383294.db2.gz SFSVZISIJRHREE-LUFHZVBGSA-N -1 3 603.700 7.954 40 10 KKCBHM O=S(=O)([N-]c1cccc(Br)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(F)cccc1Cl)N2 ZINC000104650478 571383313 /nfs/dbraw/zinc/38/33/13/571383313.db2.gz XHDZILUHCVQSPI-RHGYRFJNSA-N -1 3 533.850 6.869 40 10 KKCBHM O=S(=O)([N-]c1ccc(Br)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Br)N2 ZINC000104650498 571383337 /nfs/dbraw/zinc/38/33/37/571383337.db2.gz XLQDMEQJMXXIHC-GLDPYIMESA-N -1 3 560.311 6.839 40 10 KKCBHM O=C(NC(=S)[N-]c1ccc(Cl)cc1C(=O)c1ccccc1)c1sc2cc(Cl)ccc2c1Cl ZINC000109613587 571429710 /nfs/dbraw/zinc/42/97/10/571429710.db2.gz ZCYNJONOZZQCOH-UHFFFAOYSA-N -1 3 519.862 7.219 40 10 KKCBHM C[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1)c1ccc(N2CCC(C)CC2)cc1 ZINC000223215645 571446346 /nfs/dbraw/zinc/44/63/46/571446346.db2.gz NYXWKJNVLYWZEH-OAHLLOKOSA-N -1 3 554.525 5.373 40 10 KKCBHM CCOC(=O)c1c(C)n(-c2cccc(Br)c2)c2cc(Br)c([O-])c(CN3CCN(c4ccccc4C)CC3)c21 ZINC000150390118 571472392 /nfs/dbraw/zinc/47/23/92/571472392.db2.gz IMWONKFNAURKHZ-UHFFFAOYSA-N -1 3 641.404 6.977 40 10 KKCBHM O=[N+]([O-])c1ccc(COc2ccc([C@H]3Nc4ccc(S(=O)(=O)[N-]c5cccc(Br)c5)cc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000164471632 571548724 /nfs/dbraw/zinc/54/87/24/571548724.db2.gz ZGJIJOUKCKCPIX-WTNLLYQRSA-N -1 3 632.536 7.564 40 10 KKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccc(Cl)cc1Cl ZINC000224606553 571585242 /nfs/dbraw/zinc/58/52/42/571585242.db2.gz BOIKIONOXIKOQV-DQEYMECFSA-N -1 3 509.462 6.679 40 10 KKCBHM COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])c2C)c([N+](=O)[O-])c1 ZINC000224608315 571585715 /nfs/dbraw/zinc/58/57/15/571585715.db2.gz SUXWEYYZFAWXCR-CLJLJLNGSA-N -1 3 515.595 5.289 40 10 KKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccc(Br)cc1 ZINC000224870586 571625184 /nfs/dbraw/zinc/62/51/84/571625184.db2.gz PPFQTRJCCBPBLG-DQEYMECFSA-N -1 3 553.913 6.788 40 10 KKCBHM COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])c2C)cc1 ZINC000224871250 571625256 /nfs/dbraw/zinc/62/52/56/571625256.db2.gz WNVWZJGGHBLTKW-FTJBHMTQSA-N -1 3 505.043 6.034 40 10 KKCBHM CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])c2C)cc1 ZINC000224872100 571625366 /nfs/dbraw/zinc/62/53/66/571625366.db2.gz ZRJAQLAWRCOZIH-FQLXRVMXSA-N -1 3 546.140 6.871 40 10 KKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cccc(Cl)c1C ZINC000224873781 571625550 /nfs/dbraw/zinc/62/55/50/571625550.db2.gz BZIMFUGSYJWNQT-IZZNHLLZSA-N -1 3 523.489 6.987 40 10 KKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccc2c(c1)OCO2 ZINC000224873415 571625574 /nfs/dbraw/zinc/62/55/74/571625574.db2.gz DOKLPSPSMXGEGQ-IZZNHLLZSA-N -1 3 519.026 5.754 40 10 KKCBHM COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])c2C)c([N+](=O)[O-])c1 ZINC000224874095 571625602 /nfs/dbraw/zinc/62/56/02/571625602.db2.gz MLOUFHZTASOQJR-FTJBHMTQSA-N -1 3 550.040 5.942 40 10 KKCBHM COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c1C ZINC000224874734 571625676 /nfs/dbraw/zinc/62/56/76/571625676.db2.gz PMDCVJDCLKMZHL-CLJLJLNGSA-N -1 3 550.040 5.942 40 10 KKCBHM CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c1C ZINC000224875023 571625751 /nfs/dbraw/zinc/62/57/51/571625751.db2.gz OVQSBCSGMMUNFF-XCZPVHLTSA-N -1 3 517.098 6.896 40 10 KKCBHM COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])c2C)cc1 ZINC000224886496 571626796 /nfs/dbraw/zinc/62/67/96/571626796.db2.gz CSXMITXEZHKMCD-FTJBHMTQSA-N -1 3 533.053 5.812 40 10 KKCBHM C[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260836898 571742462 /nfs/dbraw/zinc/74/24/62/571742462.db2.gz BEEIRSVBFVUAFT-GJZGRUSLSA-N -1 3 554.525 5.373 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225416770 571784217 /nfs/dbraw/zinc/78/42/17/571784217.db2.gz FBSWHWWMSJCZEO-SXOMAYOGSA-N -1 3 615.703 6.065 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)ccc1[N-]S(C)(=O)=O ZINC000225424928 571790941 /nfs/dbraw/zinc/79/09/41/571790941.db2.gz OCNQWCVRGSREBY-SXOMAYOGSA-N -1 3 615.703 6.065 40 10 KKCBHM CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc([N-]S(C)(=O)=O)c(OC)c3)c2C)cc1 ZINC000225425321 571791547 /nfs/dbraw/zinc/79/15/47/571791547.db2.gz JSGGVERVHYLYNU-URLMMPGGSA-N -1 3 575.760 5.609 40 10 KKCBHM CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc([N-]S(C)(=O)=O)c(OC)c3)c2C)cc1 ZINC000225425241 571791563 /nfs/dbraw/zinc/79/15/63/571791563.db2.gz JSGGVERVHYLYNU-FQLXRVMXSA-N -1 3 575.760 5.609 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225426102 571792192 /nfs/dbraw/zinc/79/21/92/571792192.db2.gz VGAOGDDXJXNAIB-SVBPBHIXSA-N -1 3 582.151 5.700 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)ccc1[N-]S(C)(=O)=O ZINC000225428539 571795748 /nfs/dbraw/zinc/79/57/48/571795748.db2.gz SGXCGGCVCQTPQV-KAYWLYCHSA-N -1 3 616.596 6.353 40 10 KKCBHM CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c([N-]S(C)(=O)=O)c3)c2C)cc1 ZINC000225482274 571852979 /nfs/dbraw/zinc/85/29/79/571852979.db2.gz PONMDPINQMOZHK-JSOSNVBQSA-N -1 3 618.829 5.893 40 10 KKCBHM CCN(CC)c1cc2[nH]c(=O)[nH]c2cc1N=Cc1c(C)[n-]n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1=O ZINC000408535946 572189810 /nfs/dbraw/zinc/18/98/10/572189810.db2.gz UULDRMZIRXQLMF-BWAHOGKJSA-N -1 3 538.696 6.301 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)SC2=S)c(Cl)c1 ZINC000409148546 1070566537 /nfs/dbraw/zinc/56/65/37/1070566537.db2.gz ZTGNDAWBXWYDGS-BHGWPJFGSA-N -1 3 586.953 7.504 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)c(C)c4)cc3)SC2=S)c(Cl)c1 ZINC000409340998 1070847367 /nfs/dbraw/zinc/84/73/67/1070847367.db2.gz BVAUHSIGHKZPPH-OYKKKHCWSA-N -1 3 566.104 5.829 40 10 KKCBHM CCOc1ccc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc1Br ZINC000409341357 1070847966 /nfs/dbraw/zinc/84/79/66/1070847966.db2.gz BMEFDPBTPWMAIW-YVLHZVERSA-N -1 3 511.850 5.356 40 10 KKCBHM O=S(=O)([N-]c1cccc2ccccc21)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 ZINC000408994655 1071558422 /nfs/dbraw/zinc/55/84/22/1071558422.db2.gz GZZBSUCORYGSAD-SWFBWHSRSA-N -1 3 540.710 6.961 40 10 KKCBHM O=S(=O)([N-]c1cccc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 ZINC000408998511 1071659052 /nfs/dbraw/zinc/65/90/52/1071659052.db2.gz UYZZWLHHUMUIGU-CLCZQPDDSA-N -1 3 525.095 6.462 40 10 KKCBHM Cc1ccc(Cn2cc(/C=C3\SC(=S)N([N-]C(=O)c4ccc(C)cc4Cl)C3=O)c3ccccc32)cc1 ZINC000409328528 1072392763 /nfs/dbraw/zinc/39/27/63/1072392763.db2.gz XATJJCUGDKWAIZ-QFEZKATASA-N -1 3 532.090 6.506 40 10 KKCBHM Cc1c(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)c2ccccc2n1Cc1ccccc1 ZINC000409328256 1072395212 /nfs/dbraw/zinc/39/52/12/1072395212.db2.gz QTBKZCOTVCCUAL-MYYYXRDXSA-N -1 3 532.090 6.506 40 10 KKCBHM CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=S)N([N-]C(=O)c2ccc(C)cc2Cl)C1=O ZINC000409340456 1072466398 /nfs/dbraw/zinc/46/63/98/1072466398.db2.gz XNFVRKWCLUQSPP-LGJNPRDNSA-N -1 3 567.176 7.061 40 10 KKCBHM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409144315 1072534394 /nfs/dbraw/zinc/53/43/94/1072534394.db2.gz JIDFXBQQFFTIRF-YDZHTSKRSA-N -1 3 570.048 5.690 40 10 KKCBHM CCOc1cc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409144379 1072534933 /nfs/dbraw/zinc/53/49/33/1072534933.db2.gz JRSDVFHSLHXMCP-QRVIBDJDSA-N -1 3 635.964 7.074 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3cn(Cc4ccc(F)cc4Cl)c4ccccc34)SC2=S)c(Cl)c1 ZINC000409351270 1072537200 /nfs/dbraw/zinc/53/72/00/1072537200.db2.gz SWQGSVPDWVHAOM-MYKKPKGFSA-N -1 3 570.498 6.990 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3cccc(OCc4ccccc4Cl)c3)SC2=S)c(Cl)c1 ZINC000409143692 1072540274 /nfs/dbraw/zinc/54/02/74/1072540274.db2.gz GRKJBTWYZZXBEL-LPYMAVHISA-N -1 3 529.470 6.427 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccc(OCc4ccccc4Cl)c(Br)c3)SC2=S)c(Cl)c1 ZINC000409142905 1072544433 /nfs/dbraw/zinc/54/44/33/1072544433.db2.gz FFLMXRPQOSMNDL-WSDLNYQXSA-N -1 3 608.366 7.190 40 10 KKCBHM COc1cc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000409140665 1072557323 /nfs/dbraw/zinc/55/73/23/1072557323.db2.gz LCVVHRZBHYNJOF-ROTLSHHCSA-N -1 3 597.158 6.325 40 10 KKCBHM CCCCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N([N-]C(=O)c4ccc(C)cc4Cl)C3=O)o2)cc1 ZINC000409146681 1072579102 /nfs/dbraw/zinc/57/91/02/1072579102.db2.gz UYOIKPMOPFMEAI-HZHRSRAPSA-N -1 3 555.077 6.412 40 10 KKCBHM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409146055 1072584623 /nfs/dbraw/zinc/58/46/23/1072584623.db2.gz QJFKJJPZPWTSAX-RGVLZGJSSA-N -1 3 557.009 5.299 40 10 KKCBHM COc1cc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409146061 1072585000 /nfs/dbraw/zinc/58/50/00/1072585000.db2.gz QOTGWZXYIDELJQ-SSDVNMTOSA-N -1 3 624.018 6.923 40 10 KKCBHM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409145355 1072587392 /nfs/dbraw/zinc/58/73/92/1072587392.db2.gz NXSOWWBZVJKVDE-ZVHZXABRSA-N -1 3 584.075 6.081 40 10 KKCBHM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCc1ccncc1 ZINC000409149967 1072632575 /nfs/dbraw/zinc/63/25/75/1072632575.db2.gz WQTFHOVOYBTVAF-LPYMAVHISA-N -1 3 526.039 5.177 40 10 KKCBHM CCOc1cc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCc1cccc(C)c1 ZINC000409149500 1072636118 /nfs/dbraw/zinc/63/61/18/1072636118.db2.gz IGTMRWACLKZHJJ-MYYYXRDXSA-N -1 3 553.105 6.481 40 10 KKCBHM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409147635 1072648489 /nfs/dbraw/zinc/64/84/89/1072648489.db2.gz YYNOESKBHOJHHC-JVWAILMASA-N -1 3 624.184 6.734 40 10 KKCBHM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409162604 1072669062 /nfs/dbraw/zinc/66/90/62/1072669062.db2.gz XNAPMCDZQNKVGL-YDZHTSKRSA-N -1 3 709.971 6.685 40 10 KKCBHM CCCCOc1ccc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc1OCC ZINC000409162421 1072669558 /nfs/dbraw/zinc/66/95/58/1072669558.db2.gz VFBFODHQXLOMMP-STZFKDTASA-N -1 3 505.061 5.772 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)SC2=S)c(Cl)c1 ZINC000409161297 1072677659 /nfs/dbraw/zinc/67/76/59/1072677659.db2.gz MROZDTNBFZQSGW-SRZZPIQSSA-N -1 3 570.992 5.803 40 10 KKCBHM Cc1c(Cl)cccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1cc(Br)ccc1O ZINC000095346114 553700776 /nfs/dbraw/zinc/70/07/76/553700776.db2.gz SWMUVSSUYHLGER-FKBYEOEOSA-N -1 3 513.775 5.168 40 10 KKCBHM O=C1N=C2SC(C34CC5CC(CC(C5)C3)C4)=NN2C(=O)/C1=C/c1cc(Cc2ccccc2Cl)ccc1[O-] ZINC000097964296 553896952 /nfs/dbraw/zinc/89/69/52/553896952.db2.gz PIJNZNZKQXFFDS-WSDLNYQXSA-N -1 3 532.065 6.021 40 10 KKCBHM COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2[C@H]2C=CC[C@H]21 ZINC000058847852 554367264 /nfs/dbraw/zinc/36/72/64/554367264.db2.gz VJHJNUZLNGPGAX-DFIYOIEZSA-N -1 3 501.435 6.629 40 10 KKCBHM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC(C)C)cc1)N2 ZINC000058847976 554367271 /nfs/dbraw/zinc/36/72/71/554367271.db2.gz LWVBYILXDZIFTK-SXDGJLEOSA-N -1 3 509.071 7.063 40 10 KKCBHM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000058847843 554367499 /nfs/dbraw/zinc/36/74/99/554367499.db2.gz LPCPJYIOKJACRB-YZUZCNPQSA-N -1 3 505.854 7.274 40 10 KKCBHM O=[N+]([O-])c1ccccc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2[C@H]2C=CC[C@H]21 ZINC000058848398 554367998 /nfs/dbraw/zinc/36/79/98/554367998.db2.gz XRPMDYYNHDWLON-GLDPYIMESA-N -1 3 515.513 6.241 40 10 KKCBHM CCOc1cc(Br)c(Br)c(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c1[O-] ZINC000100921148 554521295 /nfs/dbraw/zinc/52/12/95/554521295.db2.gz FMJQKXHHVPQMGI-UHFFFAOYSA-N -1 3 602.304 6.064 40 10 KKCBHM O=[N+]([O-])c1ccc(COc2ccc([C@H]3Nc4ccc(S(=O)(=O)[N-]c5ccccc5)cc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000104645494 571381778 /nfs/dbraw/zinc/38/17/78/571381778.db2.gz FWLFHXMKGUIUSX-WTNLLYQRSA-N -1 3 553.640 6.801 40 10 KKCBHM COc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(-c5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)c1OC ZINC000104646292 571381927 /nfs/dbraw/zinc/38/19/27/571381927.db2.gz INFUMTOVMWOZLK-HEHLMWRFSA-N -1 3 538.669 6.998 40 10 KKCBHM O=[N+]([O-])c1ccc(COc2ccc([C@H]3Nc4ccc(S(=O)(=O)[N-]c5ccccc5F)cc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000104646470 571381948 /nfs/dbraw/zinc/38/19/48/571381948.db2.gz AFJANYZHISGXKA-ADRXYBOHSA-N -1 3 571.630 6.940 40 10 KKCBHM COc1cc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(-c5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000104646335 571381991 /nfs/dbraw/zinc/38/19/91/571381991.db2.gz IYEUZSAJZOKRBO-PYYUSEHKSA-N -1 3 568.695 7.007 40 10 KKCBHM COc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3[C@H]3C=CC[C@H]32)c1OC ZINC000104647440 571382153 /nfs/dbraw/zinc/38/21/53/571382153.db2.gz WDEWWYUSTOQGGV-DFIYOIEZSA-N -1 3 531.461 6.638 40 10 KKCBHM O=S(=O)([N-]c1cccc(Br)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000104648027 571382265 /nfs/dbraw/zinc/38/22/65/571382265.db2.gz XYWZRCJSIZWSCG-YZUZCNPQSA-N -1 3 560.311 6.839 40 10 KKCBHM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4C)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000104647602 571382368 /nfs/dbraw/zinc/38/23/68/571382368.db2.gz YADUVEYSZYFFRZ-DKGMKSHISA-N -1 3 539.097 7.073 40 10 KKCBHM O=S(=O)([N-]c1cccc(Br)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)OCO3)N2 ZINC000104648137 571382448 /nfs/dbraw/zinc/38/24/48/571382448.db2.gz KSRLWTIUSBFTIA-WZOHSFFVSA-N -1 3 525.424 5.805 40 10 KKCBHM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(Br)c4)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000104648153 571382476 /nfs/dbraw/zinc/38/24/76/571382476.db2.gz OGQRDXTWOALZGZ-SXDGJLEOSA-N -1 3 569.521 6.874 40 10 KKCBHM O=S(=O)([N-]c1ccc(Br)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2 ZINC000104648232 571382500 /nfs/dbraw/zinc/38/25/00/571382500.db2.gz AREPXSWKRPWMFO-RHGYRFJNSA-N -1 3 550.305 7.383 40 10 KKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Br)cc4)cc3[C@H]3C=CC[C@H]32)c(OC)c1 ZINC000104648250 571382530 /nfs/dbraw/zinc/38/25/30/571382530.db2.gz YSWYRDKWROJVOP-UZINWLIJSA-N -1 3 541.467 6.094 40 10 KKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)c(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)cc1OC ZINC000104648667 571382675 /nfs/dbraw/zinc/38/26/75/571382675.db2.gz HEMYZONAWJOENI-GNBJCERTSA-N -1 3 565.013 7.003 40 10 KKCBHM O=[N+]([O-])c1ccccc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3ccc(Oc4ccccc4)cc3)cc2[C@H]2C=CC[C@H]21 ZINC000104649324 571382766 /nfs/dbraw/zinc/38/27/66/571382766.db2.gz ZQGLEWFXJYSQBH-FVXXUCQHSA-N -1 3 539.613 7.014 40 10 KKCBHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OCC)c(OCC)c2)N3)cc1 ZINC000104648895 571382811 /nfs/dbraw/zinc/38/28/11/571382811.db2.gz LGJJAVFYEKUPQI-NHWZYIIXSA-N -1 3 534.678 6.510 40 10 KKCBHM COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Oc5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104649320 571382878 /nfs/dbraw/zinc/38/28/78/571382878.db2.gz YGTBROJBDDTLHL-WTNLLYQRSA-N -1 3 552.652 6.893 40 10 KKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)c(Cl)c2)N3)cc1OC ZINC000104649645 571383021 /nfs/dbraw/zinc/38/30/21/571383021.db2.gz CNNDFCDYEDFQAT-GNBJCERTSA-N -1 3 531.461 6.638 40 10 KKCBHM O=[N+]([O-])c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Oc5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104649336 571383047 /nfs/dbraw/zinc/38/30/47/571383047.db2.gz UYKDJYDXXQFIRH-PVTPYKNESA-N -1 3 539.613 7.014 40 10 KKCBHM O=S(=O)([N-]c1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Br)N2 ZINC000104650521 571383269 /nfs/dbraw/zinc/38/32/69/571383269.db2.gz BPETVRSCXFNVMB-SRGWNRLKSA-N -1 3 583.857 7.749 40 10 KKCBHM COc1ccc(Br)cc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2[C@H]2C=CC[C@H]21 ZINC000104650272 571383345 /nfs/dbraw/zinc/38/33/45/571383345.db2.gz ZLJTWPBHITZXEU-CTWZREHQSA-N -1 3 561.501 7.238 40 10 KKCBHM CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(I)c1[O-] ZINC000108344084 571423461 /nfs/dbraw/zinc/42/34/61/571423461.db2.gz PDFAWAQNQKRXPI-UHFFFAOYSA-N -1 3 570.408 5.144 40 10 KKCBHM C[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1)c1ccc(N2CCC(C)CC2)cc1 ZINC000223215714 571446320 /nfs/dbraw/zinc/44/63/20/571446320.db2.gz NYXWKJNVLYWZEH-HNNXBMFYSA-N -1 3 554.525 5.373 40 10 KKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccc(Br)cc1 ZINC000224604218 571584755 /nfs/dbraw/zinc/58/47/55/571584755.db2.gz MRLQQKFUNPHZMV-DQEYMECFSA-N -1 3 519.468 6.134 40 10 KKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccc(Cl)cc1Cl ZINC000224606400 571585281 /nfs/dbraw/zinc/58/52/81/571585281.db2.gz BOIKIONOXIKOQV-JWQCQUIFSA-N -1 3 509.462 6.679 40 10 KKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cc(Cl)ccc1O ZINC000224864422 571624533 /nfs/dbraw/zinc/62/45/33/571624533.db2.gz QHBIXDPASPTFMT-LOSJGSFVSA-N -1 3 525.461 6.384 40 10 KKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccccc1C(F)(F)F ZINC000224868555 571624957 /nfs/dbraw/zinc/62/49/57/571624957.db2.gz YSNMEAILPNVNQK-LOSJGSFVSA-N -1 3 543.014 7.044 40 10 KKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccc(Cl)cc1Cl ZINC000224872447 571625424 /nfs/dbraw/zinc/62/54/24/571625424.db2.gz WGJOBBWNKLUFNT-JWQCQUIFSA-N -1 3 543.907 7.332 40 10 KKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cc(C)cc(C)c1 ZINC000224873233 571625503 /nfs/dbraw/zinc/62/55/03/571625503.db2.gz FCKALEKDBZLCIS-RRPNLBNLSA-N -1 3 503.071 6.642 40 10 KKCBHM COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])c2C)c([N+](=O)[O-])c1 ZINC000224874059 571625624 /nfs/dbraw/zinc/62/56/24/571625624.db2.gz MLOUFHZTASOQJR-CLJLJLNGSA-N -1 3 550.040 5.942 40 10 KKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cc(Cl)ccc1C ZINC000224874341 571625686 /nfs/dbraw/zinc/62/56/86/571625686.db2.gz SBSOWQIIKPIOBI-UIOOFZCWSA-N -1 3 523.489 6.987 40 10 KKCBHM CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c1C ZINC000224874915 571625712 /nfs/dbraw/zinc/62/57/12/571625712.db2.gz OVQSBCSGMMUNFF-IXCJQBJRSA-N -1 3 517.098 6.896 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225424347 571790336 /nfs/dbraw/zinc/79/03/36/571790336.db2.gz NBZLDMRXCCAYPK-KAYWLYCHSA-N -1 3 547.706 5.046 40 10 KKCBHM CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc([N-]S(C)(=O)=O)c(OC)c2)c1C ZINC000225425188 571791415 /nfs/dbraw/zinc/79/14/15/571791415.db2.gz QBMZKSZWOVUCKW-VMPREFPWSA-N -1 3 575.760 5.609 40 10 KKCBHM CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc([N-]S(C)(=O)=O)c(OC)c2)c1C ZINC000225425144 571791573 /nfs/dbraw/zinc/79/15/73/571791573.db2.gz QBMZKSZWOVUCKW-URLMMPGGSA-N -1 3 575.760 5.609 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(F)c3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225425580 571791862 /nfs/dbraw/zinc/79/18/62/571791862.db2.gz PWIPUORJFLBKHN-SVBPBHIXSA-N -1 3 565.696 5.185 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225426646 571793062 /nfs/dbraw/zinc/79/30/62/571793062.db2.gz ORVKOEKJMMVIFM-SXOMAYOGSA-N -1 3 626.602 5.809 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225426780 571793597 /nfs/dbraw/zinc/79/35/97/571793597.db2.gz CLRLLRYBCQIJCA-SVBPBHIXSA-N -1 3 626.602 5.809 40 10 KKCBHM COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc([N-]S(C)(=O)=O)c(OC)c3)c2C)cc1 ZINC000225427457 571793957 /nfs/dbraw/zinc/79/39/57/571793957.db2.gz YBDSGDRMWJZJJU-VSGBNLITSA-N -1 3 577.732 5.055 40 10 KKCBHM COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc([N-]S(C)(=O)=O)c(OC)c3)c2C)c1 ZINC000225427406 571794007 /nfs/dbraw/zinc/79/40/07/571794007.db2.gz UARNNQQUZUKWCF-NSOVKSMOSA-N -1 3 577.732 5.055 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225428239 571795174 /nfs/dbraw/zinc/79/51/74/571795174.db2.gz OCSVDXCEUMUMSO-FQLXRVMXSA-N -1 3 590.775 5.112 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225429896 571797515 /nfs/dbraw/zinc/79/75/15/571797515.db2.gz KEOSFBZEJYAGDZ-URLMMPGGSA-N -1 3 575.760 5.663 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)ccc1[N-]S(C)(=O)=O ZINC000225430207 571797818 /nfs/dbraw/zinc/79/78/18/571797818.db2.gz YDTSNQBPAGMYPP-DGPALRBDSA-N -1 3 589.787 5.972 40 10 KKCBHM CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])cc21 ZINC000260917903 571851179 /nfs/dbraw/zinc/85/11/79/571851179.db2.gz JVVQVHITVZZDRS-DQEYMECFSA-N -1 3 525.505 6.903 40 10 KKCBHM Cc1[n-]n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(=O)c1C=Nc1cc2c(cc1N(C)C)n(C)c(=O)n2C ZINC000408531497 572176110 /nfs/dbraw/zinc/17/61/10/572176110.db2.gz OFYHFZBPUKMGHF-BWAHOGKJSA-N -1 3 538.696 5.129 40 10 KKCBHM COc1cc(/C=C2/SC([N-]C(C)=O)=NC2=O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408531757 572176909 /nfs/dbraw/zinc/17/69/09/572176909.db2.gz QQJQRSRQBIELMH-APSNUPSMSA-N -1 3 515.853 5.174 40 10 KKCBHM Cc1[n-]n(-c2ccc(Br)c(C)c2)c(=O)c1C=Nc1cc2[nH]c(=O)[nH]c2cc1N1CCN(c2ccccc2)CC1 ZINC000408536744 572192186 /nfs/dbraw/zinc/19/21/86/572192186.db2.gz XRSFPPPEPNYEJV-XLNRJJMWSA-N -1 3 586.494 5.385 40 10 KKCBHM Cc1[n-]n(-c2c(Cl)cc(Cl)cc2Cl)c(=O)c1C=Nc1cc2[nH]c(=O)[nH]c2cc1N1CCCC1 ZINC000408537060 572193433 /nfs/dbraw/zinc/19/34/33/572193433.db2.gz YYKAXPLUKDRRPY-RAXLEYEMSA-N -1 3 505.793 5.547 40 10 KKCBHM COc1cc(COc2ccc(Br)cc2/C=C2\SC([N-]C(C)=O)=NC2=O)ccc1OCc1ccccc1 ZINC000408538818 572199653 /nfs/dbraw/zinc/19/96/53/572199653.db2.gz CCCMZFXIALYPNX-AFUMVMLFSA-N -1 3 567.461 5.722 40 10 KKCBHM Cc1cccc(COc2ccc(/C=C3/SC(=S)N([N-]C(=O)c4ccc(C)cc4Cl)C3=O)cc2)c1 ZINC000409147696 1070566109 /nfs/dbraw/zinc/56/61/09/1070566109.db2.gz ZTVYHRVGHWRURY-OEAKJJBVSA-N -1 3 509.052 6.082 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3ccccc3OCc3ccc(F)cc3)SC2=S)c(Cl)c1 ZINC000409149729 1070567941 /nfs/dbraw/zinc/56/79/41/1070567941.db2.gz OTQBPJQNCAPBFL-XKZIYDEJSA-N -1 3 513.015 5.913 40 10 KKCBHM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409149938 1070568414 /nfs/dbraw/zinc/56/84/14/1070568414.db2.gz WBUAUOWTZJYNGW-WSDLNYQXSA-N -1 3 685.392 7.040 40 10 KKCBHM CCOc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1[O-] ZINC000409368215 1070891771 /nfs/dbraw/zinc/89/17/71/1070891771.db2.gz UVGNAHVWLZJHHQ-VIZOYTHASA-N -1 3 563.282 5.798 40 10 KKCBHM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 ZINC000408995714 1071621527 /nfs/dbraw/zinc/62/15/27/1071621527.db2.gz MYJOVXOEQPWXSP-CLCZQPDDSA-N -1 3 525.095 6.462 40 10 KKCBHM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC3CSC3)cc1)N2 ZINC000409001367 1071645983 /nfs/dbraw/zinc/64/59/83/1071645983.db2.gz PKSMBAQIBRJRLI-CLCZQPDDSA-N -1 3 559.540 7.115 40 10 KKCBHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC4CSC4)cc2)N3)c1 ZINC000408999368 1071655303 /nfs/dbraw/zinc/65/53/03/1071655303.db2.gz KPOCBVLTUWHGAN-IWVFXYMLSA-N -1 3 518.704 6.425 40 10 KKCBHM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCc1ccccc1 ZINC000409144144 1072537680 /nfs/dbraw/zinc/53/76/80/1072537680.db2.gz JVQGTQOHBSUFNQ-OEAKJJBVSA-N -1 3 525.051 5.782 40 10 KKCBHM CCCCOc1ccc2ccccc2c1/C=C1\SC(=S)N([N-]C(=O)c2ccc(C)cc2Cl)C1=O ZINC000409143318 1072541858 /nfs/dbraw/zinc/54/18/58/1072541858.db2.gz DLCCPSGSBWTRFQ-HAHDFKILSA-N -1 3 511.068 6.527 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)SC2=S)c(Cl)c1 ZINC000409142795 1072545914 /nfs/dbraw/zinc/54/59/14/1072545914.db2.gz CARLLWFSANGOOV-VXLYETTFSA-N -1 3 534.402 6.016 40 10 KKCBHM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409141825 1072551865 /nfs/dbraw/zinc/55/18/65/1072551865.db2.gz BYJVDWVFPHAGFD-YDZHTSKRSA-N -1 3 570.048 5.690 40 10 KKCBHM COc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc1 ZINC000409141429 1072553261 /nfs/dbraw/zinc/55/32/61/1072553261.db2.gz NUGWHECQIGRZKQ-UCQKPKSFSA-N -1 3 568.076 5.221 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3)SC2=S)c(Cl)c1 ZINC000409141304 1072554159 /nfs/dbraw/zinc/55/41/59/1072554159.db2.gz NAPWOVARHRFOMY-LPYMAVHISA-N -1 3 529.470 6.427 40 10 KKCBHM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409139976 1072561523 /nfs/dbraw/zinc/56/15/23/1072561523.db2.gz GTVYFHJNBCKAME-MFKUBSTISA-N -1 3 596.130 5.919 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)SC2=S)c(Cl)c1 ZINC000409147277 1072576759 /nfs/dbraw/zinc/57/67/59/1072576759.db2.gz YBNIWOAYZZMWJG-VXLYETTFSA-N -1 3 534.402 6.016 40 10 KKCBHM CCN(CC)c1ccc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409147228 1072577602 /nfs/dbraw/zinc/57/76/02/1072577602.db2.gz XBYDRFNBXVFAIQ-VULFUBBASA-N -1 3 654.170 5.967 40 10 KKCBHM Cc1cccc(COc2ccccc2/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)c1 ZINC000409145979 1072584087 /nfs/dbraw/zinc/58/40/87/1072584087.db2.gz PIPYFELLKJBLAV-OEAKJJBVSA-N -1 3 509.052 6.082 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3cc(I)c(OCc4ccccc4)c(I)c3)SC2=S)c(Cl)c1 ZINC000409145974 1072584129 /nfs/dbraw/zinc/58/41/29/1072584129.db2.gz RAYDFMCVDIJCOJ-CIAFOILYSA-N -1 3 746.817 6.983 40 10 KKCBHM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409145298 1072588887 /nfs/dbraw/zinc/58/88/87/1072588887.db2.gz NKLHEAXOGVJCKR-JVWAILMASA-N -1 3 668.034 8.088 40 10 KKCBHM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc(I)c1OCC ZINC000409145292 1072588901 /nfs/dbraw/zinc/58/89/01/1072588901.db2.gz OAJHZOUYPNJRCN-WOJGMQOQSA-N -1 3 602.903 5.597 40 10 KKCBHM CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc1Cl ZINC000409145145 1072589893 /nfs/dbraw/zinc/58/98/93/1072589893.db2.gz MWTCHRFIKNXZRV-MFOYZWKCSA-N -1 3 559.880 5.443 40 10 KKCBHM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc(I)c1OCc1ccccc1 ZINC000409149863 1072631957 /nfs/dbraw/zinc/63/19/57/1072631957.db2.gz SOVILZGDMMIHDT-LPYMAVHISA-N -1 3 650.947 6.387 40 10 KKCBHM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409149481 1072635659 /nfs/dbraw/zinc/63/56/59/1072635659.db2.gz HLHBXNHNWYGEEE-FOKLQQMPSA-N -1 3 733.864 8.084 40 10 KKCBHM CCOc1cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1[O-] ZINC000409369802 1072656837 /nfs/dbraw/zinc/65/68/37/1072656837.db2.gz YFGADGSTZIOGCA-CHHVJCJISA-N -1 3 518.831 5.689 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3coc4c(Cl)cc(Cl)cc4c3=O)SC2=S)c(Cl)c1 ZINC000409381628 1072710696 /nfs/dbraw/zinc/71/06/96/1072710696.db2.gz IGBIYXUDNICQJC-BNCCVWRVSA-N -1 3 525.822 5.608 40 10 KKCBHM COc1cc([C@@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c([O-])cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547139417 1073186919 /nfs/dbraw/zinc/18/69/19/1073186919.db2.gz PSGVPLZQSJBVTM-WXVAWEFUSA-N -1 3 691.774 5.898 40 10 KKCBHM COc1cc([C@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c([O-])cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547139416 1073186946 /nfs/dbraw/zinc/18/69/46/1073186946.db2.gz PSGVPLZQSJBVTM-CUNXSJBXSA-N -1 3 691.774 5.898 40 10 KKCBHM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1Br)N2 ZINC000003991828 552425161 /nfs/dbraw/zinc/42/51/61/552425161.db2.gz HSOZMTASDNSERI-XLNZFTOWSA-N -1 3 549.412 7.095 40 10 KKCBHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccc(N(C)C)c3c2cccc3N(C)C)C(Cl)(Cl)Cl)cc1 ZINC000006245633 552574131 /nfs/dbraw/zinc/57/41/31/552574131.db2.gz ILMSBTFKVYLTOO-QFIPXVFZSA-N -1 3 514.906 5.670 40 10 KKCBHM COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cc(Cl)ccc3[O-])C2=O)cc1 ZINC000008820079 553155087 /nfs/dbraw/zinc/15/50/87/553155087.db2.gz XTZLBBKIQHICHH-MOSHPQCFSA-N -1 3 519.044 5.233 40 10 KKCBHM O=C(NC(=S)[N-]c1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000008832872 553158662 /nfs/dbraw/zinc/15/86/62/553158662.db2.gz NKEOHMIZMSXJRH-UHFFFAOYSA-N -1 3 505.939 5.866 40 10 KKCBHM COc1ccc(C(OCC(=O)[C@]2(O)Cc3c([O-])c4c(c(O)c3[C@@H](O)C2)C(=O)c2c(OC)cccc2C4=O)(c2ccccc2)c2ccccc2)cc1 ZINC000077302396 553661735 /nfs/dbraw/zinc/66/17/35/553661735.db2.gz KOLCGGWMOLAHCT-YLZGDECLSA-N -1 3 686.713 5.179 40 10 in-vitro KKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(C)ccc4C)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000058846405 554365945 /nfs/dbraw/zinc/36/59/45/554365945.db2.gz WGKFKZXDBLWRHK-FYQCMVGJSA-N -1 3 505.596 5.848 40 10 KKCBHM COc1cc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C)cc4)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000058846019 554365992 /nfs/dbraw/zinc/36/59/92/554365992.db2.gz PYKSUYGTNWGDEG-OREGWCPLSA-N -1 3 506.624 5.648 40 10 KKCBHM COc1cc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(C)c4)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000058845881 554366035 /nfs/dbraw/zinc/36/60/35/554366035.db2.gz SBRGHSKMDNKGLY-OREGWCPLSA-N -1 3 506.624 5.648 40 10 KKCBHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Br)c2)N3)c1 ZINC000058846338 554366072 /nfs/dbraw/zinc/36/60/72/554366072.db2.gz WXWHVZKCSHBEOI-VVZHRXSXSA-N -1 3 509.469 6.693 40 10 KKCBHM CC(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Br)c2)N3)cc1 ZINC000058846786 554366540 /nfs/dbraw/zinc/36/65/40/554366540.db2.gz NOPNLZGWKXXRAR-CLCZQPDDSA-N -1 3 523.496 7.200 40 10 KKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000058847608 554366998 /nfs/dbraw/zinc/36/69/98/554366998.db2.gz DJNICYJADSJIOX-WZOHSFFVSA-N -1 3 511.987 5.884 40 10 KKCBHM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000058847972 554367389 /nfs/dbraw/zinc/36/73/89/554367389.db2.gz PZBPQOFRUMTOBA-ATLLOTDBSA-N -1 3 518.988 7.295 40 10 KKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C(C)(C)C)cc2)N3)cc1Cl ZINC000058848267 554367675 /nfs/dbraw/zinc/36/76/75/554367675.db2.gz AGOHFQVNSXVQRW-VYKTZEHYSA-N -1 3 507.099 7.573 40 10 KKCBHM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000058848177 554367694 /nfs/dbraw/zinc/36/76/94/554367694.db2.gz LIMBITYKZHAWRE-CEYNDMKZSA-N -1 3 518.988 7.295 40 10 KKCBHM COc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Br)cc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058848356 554367688 /nfs/dbraw/zinc/36/76/88/554367688.db2.gz NQHDDHGJEPXVJZ-SGIRGMQISA-N -1 3 511.441 6.085 40 10 KKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058848389 554368084 /nfs/dbraw/zinc/36/80/84/554368084.db2.gz OLFCQJYGCXGNTM-SGIRGMQISA-N -1 3 500.542 6.341 40 10 KKCBHM COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)c(Cl)c2)N3)c1 ZINC000058848726 554368268 /nfs/dbraw/zinc/36/82/68/554368268.db2.gz JJZQYGCTROOKPU-WZOHSFFVSA-N -1 3 501.435 6.629 40 10 KKCBHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(F)(F)F)N3)cc1 ZINC000058848657 554368279 /nfs/dbraw/zinc/36/82/79/554368279.db2.gz WMZHUOBOOUMWKS-UZINWLIJSA-N -1 3 514.569 6.731 40 10 KKCBHM Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Oc5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058849196 554368840 /nfs/dbraw/zinc/36/88/40/554368840.db2.gz GKMVTZCPTHRGNL-WTNLLYQRSA-N -1 3 508.643 7.415 40 10 KKCBHM COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(OC)c(OC)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058849542 554369067 /nfs/dbraw/zinc/36/90/67/554369067.db2.gz IQUATOLUUQWRHA-GTNJKRJXSA-N -1 3 522.623 5.348 40 10 KKCBHM COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058850099 554369811 /nfs/dbraw/zinc/36/98/11/554369811.db2.gz ZICAJIRFBYQHTI-BOCWGRARSA-N -1 3 510.615 6.254 40 10 KKCBHM Cc1cc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000101757842 554836242 /nfs/dbraw/zinc/83/62/42/554836242.db2.gz GAMSNQUSXINDAS-NHDPSOOVSA-N -1 3 550.027 6.621 40 10 KKCBHM COc1ccc(-c2[n-]n(-c3ccc(OC)cc3)c(=O)c2C(C)=Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000020289167 571360602 /nfs/dbraw/zinc/36/06/02/571360602.db2.gz XYRGKEMEUKLIPV-ANYBSYGZSA-N -1 3 505.574 6.633 40 10 KKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc4c(cc2Br)OCO4)N3)cc1 ZINC000104645701 571381758 /nfs/dbraw/zinc/38/17/58/571381758.db2.gz KFNIPKNZUCICHM-ANSQWYIGSA-N -1 3 539.451 6.114 40 10 KKCBHM CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)N2 ZINC000104645776 571381768 /nfs/dbraw/zinc/38/17/68/571381768.db2.gz DVNPMGOOEXKXFP-FISMMAAMSA-N -1 3 581.694 7.364 40 10 KKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc4c(cc2Br)OCO4)N3)cc1C ZINC000104646054 571381847 /nfs/dbraw/zinc/38/18/47/571381847.db2.gz ALYGINLHQVTHMI-VKIDHGPPSA-N -1 3 553.478 6.422 40 10 KKCBHM O=[N+]([O-])c1ccccc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3ccc(-c4ccccc4)cc3)cc2[C@H]2C=CC[C@H]21 ZINC000104646309 571381883 /nfs/dbraw/zinc/38/18/83/571381883.db2.gz VISCJRPVWUFKPJ-FVXXUCQHSA-N -1 3 523.614 6.889 40 10 KKCBHM COc1ccc(Br)cc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3ccc(-c4ccccc4)cc3)cc2[C@H]2C=CC[C@H]21 ZINC000104646348 571381985 /nfs/dbraw/zinc/38/19/85/571381985.db2.gz MWRSFKXCGKMBIB-HEHLMWRFSA-N -1 3 587.539 7.752 40 10 KKCBHM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000104647773 571382268 /nfs/dbraw/zinc/38/22/68/571382268.db2.gz PCWMSYGARINHIR-CEYNDMKZSA-N -1 3 519.881 7.583 40 10 KKCBHM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000104647767 571382305 /nfs/dbraw/zinc/38/23/05/571382305.db2.gz CFUJCIWMPPLIIR-OSWQYVSFSA-N -1 3 519.881 7.583 40 10 KKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)ccc4C)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000104647845 571382332 /nfs/dbraw/zinc/38/23/32/571382332.db2.gz WPAZUUGJTZVOOK-OUDXUNEISA-N -1 3 526.014 6.193 40 10 KKCBHM COc1ccc(Br)cc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3C)cc2[C@H]2C=CC[C@H]21 ZINC000104647718 571382352 /nfs/dbraw/zinc/38/23/52/571382352.db2.gz HKWDZOKFCCLXAO-UNVFRBQDSA-N -1 3 559.913 7.047 40 10 KKCBHM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000104647792 571382385 /nfs/dbraw/zinc/38/23/85/571382385.db2.gz RVNQHGWLFXPHHG-BPYKYCOYSA-N -1 3 529.887 7.038 40 10 KKCBHM CC(C)(C)c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(Br)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104648167 571382482 /nfs/dbraw/zinc/38/24/82/571382482.db2.gz ADYQHOJMPSLUIR-CLCZQPDDSA-N -1 3 537.523 7.374 40 10 KKCBHM O=S(=O)([N-]c1ccc(Br)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000104648315 571382488 /nfs/dbraw/zinc/38/24/88/571382488.db2.gz YZUMKIKQZUFAGA-GLDPYIMESA-N -1 3 549.412 7.095 40 10 KKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Br)cc4)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000104648341 571382538 /nfs/dbraw/zinc/38/25/38/571382538.db2.gz YSHNQYFCTOQOPT-WZOHSFFVSA-N -1 3 556.438 5.993 40 10 KKCBHM COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)c(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104648690 571382639 /nfs/dbraw/zinc/38/26/39/571382639.db2.gz YUUSJBJQNBJUBQ-WZOHSFFVSA-N -1 3 562.997 6.773 40 10 KKCBHM O=S(=O)([N-]c1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 ZINC000104648560 571382685 /nfs/dbraw/zinc/38/26/85/571382685.db2.gz HBJDHFQALMOMRK-SRGWNRLKSA-N -1 3 539.406 7.640 40 10 KKCBHM O=S(=O)([N-]c1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2 ZINC000104648553 571382687 /nfs/dbraw/zinc/38/26/87/571382687.db2.gz WOAZDDMKGBCEIX-XLNZFTOWSA-N -1 3 522.951 7.125 40 10 KKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)c(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)c(OC)c1 ZINC000104648651 571382689 /nfs/dbraw/zinc/38/26/89/571382689.db2.gz ODMXWQGNPOQFCK-ANSQWYIGSA-N -1 3 565.013 7.003 40 10 KKCBHM O=S(=O)([N-]c1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000104649249 571382754 /nfs/dbraw/zinc/38/27/54/571382754.db2.gz YFGDHVNXIWGOHS-PVTPYKNESA-N -1 3 573.512 7.869 40 10 KKCBHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Br)c2)N3)cc1 ZINC000104648848 571382772 /nfs/dbraw/zinc/38/27/72/571382772.db2.gz MKAWYQRTUWZQLS-PPJWLVRDSA-N -1 3 525.468 6.475 40 10 KKCBHM O=S(=O)([N-]c1cccc2ccccc21)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000104650195 571383198 /nfs/dbraw/zinc/38/31/98/571383198.db2.gz DUOPSIPGXQGMKM-PFPZSTESSA-N -1 3 521.469 7.774 40 10 KKCBHM O=S(=O)([N-]c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(F)cccc1Cl)N2 ZINC000104650366 571383244 /nfs/dbraw/zinc/38/32/44/571383244.db2.gz GEMQPBHMKGYFIW-BBANNHEPSA-N -1 3 531.052 7.773 40 10 KKCBHM O=S(=O)([N-]c1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Br)N2 ZINC000104650562 571383292 /nfs/dbraw/zinc/38/32/92/571383292.db2.gz UHYZVAUUFOPTIU-FVXXUCQHSA-N -1 3 573.512 7.869 40 10 KKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccc(Br)cc1 ZINC000224604116 571584801 /nfs/dbraw/zinc/58/48/01/571584801.db2.gz MRLQQKFUNPHZMV-RPBOFIJWSA-N -1 3 519.468 6.134 40 10 KKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cccc(Cl)c1Cl ZINC000224606178 571585060 /nfs/dbraw/zinc/58/50/60/571585060.db2.gz SRIOLSVZWUILHZ-JWQCQUIFSA-N -1 3 509.462 6.679 40 10 KKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cccc(Cl)c1Cl ZINC000224606225 571585091 /nfs/dbraw/zinc/58/50/91/571585091.db2.gz SRIOLSVZWUILHZ-RPBOFIJWSA-N -1 3 509.462 6.679 40 10 KKCBHM COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c1C ZINC000224609033 571585856 /nfs/dbraw/zinc/58/58/56/571585856.db2.gz HYNNOHSSGLHXLS-IZZNHLLZSA-N -1 3 505.043 6.034 40 10 KKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000224860514 571624115 /nfs/dbraw/zinc/62/41/15/571624115.db2.gz SACHDKGNUFBSCG-FQLXRVMXSA-N -1 3 560.123 5.862 40 10 KKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccccc1Cl ZINC000224869547 571625033 /nfs/dbraw/zinc/62/50/33/571625033.db2.gz CYVMKNKDXVFBRO-JWQCQUIFSA-N -1 3 509.462 6.679 40 10 KKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cc(C)cc(C)c1 ZINC000224873272 571625500 /nfs/dbraw/zinc/62/55/00/571625500.db2.gz FCKALEKDBZLCIS-SVBPBHIXSA-N -1 3 503.071 6.642 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225424579 571791225 /nfs/dbraw/zinc/79/12/25/571791225.db2.gz NAKFJGCBSSHFBG-IZLXSDGUSA-N -1 3 561.733 5.355 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225426357 571792986 /nfs/dbraw/zinc/79/29/86/571792986.db2.gz NKYQESCQRWAUOX-RRPNLBNLSA-N -1 3 582.151 5.700 40 10 KKCBHM COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc([N-]S(C)(=O)=O)c(OC)c3)c2C)c1 ZINC000225427365 571794114 /nfs/dbraw/zinc/79/41/14/571794114.db2.gz UARNNQQUZUKWCF-WUFINQPMSA-N -1 3 577.732 5.055 40 10 KKCBHM COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc([N-]S(C)(=O)=O)c(OC)c3)c2C)cc1 ZINC000225427569 571794694 /nfs/dbraw/zinc/79/46/94/571794694.db2.gz YBDSGDRMWJZJJU-NSOVKSMOSA-N -1 3 577.732 5.055 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)ccc1[N-]S(C)(=O)=O ZINC000225429380 571796949 /nfs/dbraw/zinc/79/69/49/571796949.db2.gz KNQSFOYQAJFIJL-FQLXRVMXSA-N -1 3 575.760 5.663 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)ccc1[N-]S(C)(=O)=O ZINC000225429670 571797437 /nfs/dbraw/zinc/79/74/37/571797437.db2.gz ZAXIGLCVAKGPII-PXJZQJOASA-N -1 3 575.760 5.663 40 10 KKCBHM Cc1[n-]n(-c2c(Cl)cc(Cl)cc2Cl)c(=O)c1C=Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C ZINC000408526272 572157106 /nfs/dbraw/zinc/15/71/06/572157106.db2.gz AOSQIDYPFSCZLJ-SSZFMOIBSA-N -1 3 547.874 5.546 40 10 KKCBHM CCOc1cc(/C=C2/SC([N-]C(C)=O)=NC2=O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408528996 572166470 /nfs/dbraw/zinc/16/64/70/572166470.db2.gz GHKJHZMMJPVTKI-IUXPMGMMSA-N -1 3 529.880 5.564 40 10 KKCBHM Cc1[n-]n(-c2ccc(Br)c(C)c2C)c(=O)c1C=Nc1ccc(I)cc1 ZINC000408531596 572176507 /nfs/dbraw/zinc/17/65/07/572176507.db2.gz KWPOUFZSBWGEGQ-YBEGLDIGSA-N -1 3 510.173 5.389 40 10 KKCBHM Cc1[n-]n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(=O)c1C=Nc1cc2c(cc1N1CCN(c3ccccc3)CC1)n(C)c(=O)n2C ZINC000408536631 572191847 /nfs/dbraw/zinc/19/18/47/572191847.db2.gz WXJZIZOILLCHCZ-IVQJCJPDSA-N -1 3 655.847 6.390 40 10 KKCBHM Cc1[n-]n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(=O)c1C=Nc1ccc(Br)c(C)c1 ZINC000408537238 572193685 /nfs/dbraw/zinc/19/36/85/572193685.db2.gz ZRLNEQNPLKHHMD-XYGWBWBKSA-N -1 3 504.472 6.944 40 10 KKCBHM CCOc1cc(COc2c(Cl)cc(/C=C3/SC([N-]C(C)=O)=NC3=O)cc2Cl)ccc1OCc1ccccc1 ZINC000408540240 572205040 /nfs/dbraw/zinc/20/50/40/572205040.db2.gz OZCQZDSKUUSEMI-AFUMVMLFSA-N -1 3 571.482 6.657 40 10 KKCBHM COc1cc(COc2c(Br)cc(/C=C3/SC([N-]C(C)=O)=NC3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408540227 572205110 /nfs/dbraw/zinc/20/51/10/572205110.db2.gz OVNFZSVOJIIDHW-AFUMVMLFSA-N -1 3 597.487 5.731 40 10 KKCBHM CCOc1cc(COc2ccc(/C=C3/SC([N-]C(C)=O)=NC3=O)cc2)ccc1OCc1ccccc1 ZINC000408541154 572207886 /nfs/dbraw/zinc/20/78/86/572207886.db2.gz YBNJXDBHLDTVLG-WGOQTCKBSA-N -1 3 502.592 5.350 40 10 KKCBHM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1ccncc1 ZINC000408954042 1070316629 /nfs/dbraw/zinc/31/66/29/1070316629.db2.gz RDEDMGPDOJJXCN-RWPZCVJISA-N -1 3 520.633 5.623 40 10 KKCBHM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC4CSC4)cc2)N3)c1 ZINC000409001225 1070376491 /nfs/dbraw/zinc/37/64/91/1070376491.db2.gz VOGZDXLLYYJZBP-BXTSTYNKSA-N -1 3 504.677 6.117 40 10 KKCBHM CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(Br)c1[O-] ZINC000409330089 1070832987 /nfs/dbraw/zinc/83/29/87/1070832987.db2.gz JMVHFWZQMSVJIF-NVNXTCNLSA-N -1 3 504.349 5.978 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)SC2=S)c(Cl)c1 ZINC000409354689 1070874394 /nfs/dbraw/zinc/87/43/94/1070874394.db2.gz AHRQOTWRKGQJOO-OYKKKHCWSA-N -1 3 518.063 6.198 40 10 KKCBHM O=S(=O)([N-]c1cccc(Br)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC3CSC3)cc1)N2 ZINC000408988646 1071603678 /nfs/dbraw/zinc/60/36/78/1071603678.db2.gz FEUHDYOYIJTMMV-CLCZQPDDSA-N -1 3 569.546 6.571 40 10 KKCBHM CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc(Br)c1[O-] ZINC000409333548 1072352024 /nfs/dbraw/zinc/35/20/24/1072352024.db2.gz SSBWYPLVPPNJBC-LZYBPNLTSA-N -1 3 500.823 5.621 40 10 KKCBHM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409143490 1072540727 /nfs/dbraw/zinc/54/07/27/1072540727.db2.gz GVBDKWACQPMXPB-YDZHTSKRSA-N -1 3 652.419 7.588 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)SC2=S)c(Cl)c1 ZINC000409142380 1072548632 /nfs/dbraw/zinc/54/86/32/1072548632.db2.gz CTLFMRZOMFCBAK-SRZZPIQSSA-N -1 3 570.992 5.803 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3c(Oc4nc(Cl)ncc4F)ccc4ccccc43)SC2=S)c(Cl)c1 ZINC000409140542 1072558109 /nfs/dbraw/zinc/55/81/09/1072558109.db2.gz ITLRXUKLVHXDHU-SRZZPIQSSA-N -1 3 585.469 6.723 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccc(OCc4ccccc4)c(Br)c3)SC2=S)c(Cl)c1 ZINC000409147217 1072577559 /nfs/dbraw/zinc/57/75/59/1072577559.db2.gz WXTZFRFNXDCHJS-LPYMAVHISA-N -1 3 573.921 6.536 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccc(F)cc3)SC2=S)c(Cl)c1 ZINC000409145796 1072585153 /nfs/dbraw/zinc/58/51/53/1072585153.db2.gz PVZFIIZMXIRFDP-UUYOSTAYSA-N -1 3 591.911 6.675 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3cc(Br)c(OCc4ccccc4F)c(Br)c3)SC2=S)c(Cl)c1 ZINC000409145523 1072586460 /nfs/dbraw/zinc/58/64/60/1072586460.db2.gz OETQMTIGAQUAOO-SRZZPIQSSA-N -1 3 670.807 7.438 40 10 KKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3c(OCc4ccccc4)ccc4ccccc43)SC2=S)c(Cl)c1 ZINC000409149366 1072637228 /nfs/dbraw/zinc/63/72/28/1072637228.db2.gz CZLXXPXONZYHRG-WGOQTCKBSA-N -1 3 545.085 6.927 40 10 KKCBHM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)ccc2[O-])C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185581 1072770268 /nfs/dbraw/zinc/77/02/68/1072770268.db2.gz MVLCNCKVIYRYGI-LPNHJGGPSA-N -1 3 598.124 6.439 40 10 KKCBHM COc1cc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000409204986 1072901480 /nfs/dbraw/zinc/90/14/80/1072901480.db2.gz MTORYYMMQLSSEV-QRVIBDJDSA-N -1 3 664.974 6.695 40 10 KKCBHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NN=C3C=C(C(=O)Nc4ccccc4N(C)C)C(=O)c4ccccc43)c(Cl)c2)cc1 ZINC000004044745 1073200899 /nfs/dbraw/zinc/20/08/99/1073200899.db2.gz WRFRIGGHLAUCAB-ULDVOPSXSA-N -1 3 614.127 8.042 40 10 KKCBHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NN=C3C=C(C(=O)Nc4ccccc4N(C)C)C(=O)c4ccccc43)cc2)cc1 ZINC000003991733 1073200988 /nfs/dbraw/zinc/20/09/88/1073200988.db2.gz QVYSCCAYMMHYOM-XAHDOWKMSA-N -1 3 579.682 7.388 40 10 KKCBHM CC(=O)NCCc1[n-]c(N=Nc2ccc(Br)cc2)nc1N=Nc1ccc(Br)cc1 ZINC000004771935 552481520 /nfs/dbraw/zinc/48/15/20/552481520.db2.gz SXIGKALKFGSRBE-NBHCHVEOSA-N -1 3 519.201 6.444 40 10 KKCBHM CC(=O)NCCc1nc(N=Nc2ccc(Br)cc2)[n-]c1N=Nc1ccc(Br)cc1 ZINC000004771935 552481522 /nfs/dbraw/zinc/48/15/22/552481522.db2.gz SXIGKALKFGSRBE-NBHCHVEOSA-N -1 3 519.201 6.444 40 10 KKCBHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 ZINC000006456393 552590086 /nfs/dbraw/zinc/59/00/86/552590086.db2.gz YCUQMZCGZGWQBP-BOCWGRARSA-N -1 3 518.704 6.425 40 10 KKCBHM O=C(NC(=S)[N-]c1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(OCc2ccccc2)cc1 ZINC000008832919 553158895 /nfs/dbraw/zinc/15/88/95/553158895.db2.gz HESPEEQNKMFJCN-UHFFFAOYSA-N -1 3 501.007 6.277 40 10 KKCBHM COC(=O)C=c1[n-]n(-c2nc3ccccc3s2)c(=O)c1=C(C)NCCC(c1ccccc1)c1ccccc1 ZINC000020287323 553632773 /nfs/dbraw/zinc/63/27/73/553632773.db2.gz FVVQTJPGAUYJEV-RRAHZORUSA-N -1 3 524.646 5.648 40 10 KKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4C)cc3[C@H]3C=CC[C@H]32)c(OC)c1 ZINC000058847926 554367314 /nfs/dbraw/zinc/36/73/14/554367314.db2.gz CWRFUAGVGXPUSN-VKIDHGPPSA-N -1 3 511.043 6.293 40 10 KKCBHM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058847864 554367450 /nfs/dbraw/zinc/36/74/50/554367450.db2.gz NMUOBADGZJFFDC-PPJWLVRDSA-N -1 3 515.462 7.019 40 10 KKCBHM O=S(=O)([N-]c1cccc(Br)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 ZINC000058848297 554367616 /nfs/dbraw/zinc/36/76/16/554367616.db2.gz FKHBVACMJNKRFU-GLDPYIMESA-N -1 3 515.860 6.730 40 10 KKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(F)(F)F)N3)cc1Cl ZINC000058848259 554367655 /nfs/dbraw/zinc/36/76/55/554367655.db2.gz HLHHKFMPLLWQNJ-CEYNDMKZSA-N -1 3 518.988 7.295 40 10 KKCBHM COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(Cl)cccc2Cl)N3)c1 ZINC000058848744 554368353 /nfs/dbraw/zinc/36/83/53/554368353.db2.gz UGGUZSFWQXQNCE-CEYNDMKZSA-N -1 3 501.435 6.629 40 10 KKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C(C)(C)C)cc2)N3)cc1OC ZINC000058849590 554368991 /nfs/dbraw/zinc/36/89/91/554368991.db2.gz ZTCZWQXOSAIERW-CTVOUCONSA-N -1 3 518.679 6.629 40 10 KKCBHM COc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc(Br)c1[O-] ZINC000103758995 555470888 /nfs/dbraw/zinc/47/08/88/555470888.db2.gz MDWDAIYXBRAHCL-UHFFFAOYSA-N -1 3 521.367 5.364 40 10 KKCBHM COc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc(I)c1[O-] ZINC000103760338 555471135 /nfs/dbraw/zinc/47/11/35/555471135.db2.gz AFLZWVRKBANPHQ-UHFFFAOYSA-N -1 3 584.435 5.371 40 10 KKCBHM CC(=O)NCCc1[n-]c(N=Nc2ccc(Br)cc2)nc1N=Nc1ccc(Br)cc1 ZINC000104182367 571376070 /nfs/dbraw/zinc/37/60/70/571376070.db2.gz SXIGKALKFGSRBE-ZQZMJUSDSA-N -1 3 519.201 6.444 40 10 KKCBHM CC(=O)NCCc1nc(N=Nc2ccc(Br)cc2)[n-]c1N=Nc1ccc(Br)cc1 ZINC000104182367 571376072 /nfs/dbraw/zinc/37/60/72/571376072.db2.gz SXIGKALKFGSRBE-ZQZMJUSDSA-N -1 3 519.201 6.444 40 10 KKCBHM COC(=O)[C@H](Cc1[n-]c(N=Nc2ccc(Br)cc2)nc1N=Nc1ccc(Br)cc1)NC(C)=O ZINC000104183536 571376225 /nfs/dbraw/zinc/37/62/25/571376225.db2.gz AJOHJTTUNAQXBF-VMELAIKWSA-N -1 3 577.237 5.986 40 10 KKCBHM COC(=O)[C@H](Cc1nc(N=Nc2ccc(Br)cc2)[n-]c1N=Nc1ccc(Br)cc1)NC(C)=O ZINC000104183536 571376226 /nfs/dbraw/zinc/37/62/26/571376226.db2.gz AJOHJTTUNAQXBF-VMELAIKWSA-N -1 3 577.237 5.986 40 10 KKCBHM COc1ccc(Br)cc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2[C@H]2C=CC[C@H]21 ZINC000104645993 571381782 /nfs/dbraw/zinc/38/17/82/571381782.db2.gz QPYCGMZDILKSMY-ISCCLHIJSA-N -1 3 539.495 6.702 40 10 KKCBHM COc1ccc(Br)cc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2[C@H]2C=CC[C@H]21 ZINC000104647956 571382298 /nfs/dbraw/zinc/38/22/98/571382298.db2.gz SRNLZKGLUBLZHE-UNVFRBQDSA-N -1 3 559.913 7.047 40 10 KKCBHM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000104647969 571382346 /nfs/dbraw/zinc/38/23/46/571382346.db2.gz QMLHQKWOJBNPST-QFWOEDSFSA-N -1 3 539.097 7.073 40 10 KKCBHM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)N2 ZINC000104647618 571382381 /nfs/dbraw/zinc/38/23/81/571382381.db2.gz YFRXUSWHNIDTEP-PYYUSEHKSA-N -1 3 602.112 7.763 40 10 KKCBHM O=S(=O)([N-]c1ccc(Br)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000104648226 571382456 /nfs/dbraw/zinc/38/24/56/571382456.db2.gz DEWBJVHSQWPPHM-YZUZCNPQSA-N -1 3 560.311 6.839 40 10 KKCBHM COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Br)cc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104648259 571382471 /nfs/dbraw/zinc/38/24/71/571382471.db2.gz MUXRQIOTYBVWLL-UZINWLIJSA-N -1 3 541.467 6.094 40 10 KKCBHM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000104648408 571382480 /nfs/dbraw/zinc/38/24/80/571382480.db2.gz PMSDIACQVZLAKE-YZUZCNPQSA-N -1 3 549.412 7.095 40 10 KKCBHM COc1ccc(Br)cc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2[C@H]2C=CC[C@H]21 ZINC000104648487 571382620 /nfs/dbraw/zinc/38/26/20/571382620.db2.gz WGNKRGZCSCQCKX-DFIYOIEZSA-N -1 3 579.438 7.104 40 10 KKCBHM COc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)c(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104648631 571382632 /nfs/dbraw/zinc/38/26/32/571382632.db2.gz MXYGIOGXUXMUQW-WZOHSFFVSA-N -1 3 534.987 6.995 40 10 KKCBHM COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2[C@H]2C=CC[C@H]21 ZINC000104648623 571382681 /nfs/dbraw/zinc/38/26/81/571382681.db2.gz BITFOQKXLJPCJM-ATLLOTDBSA-N -1 3 534.987 6.995 40 10 KKCBHM COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc4c(cc2Br)OCO4)N3)c1 ZINC000104648966 571382794 /nfs/dbraw/zinc/38/27/94/571382794.db2.gz UEUMIUIHJORHCM-ANSQWYIGSA-N -1 3 555.450 5.814 40 10 KKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc4c(cc2Br)OCO4)N3)cc1 ZINC000104648815 571382799 /nfs/dbraw/zinc/38/27/99/571382799.db2.gz AWBPXZFTOPBRRY-ANSQWYIGSA-N -1 3 555.450 5.814 40 10 KKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000104650280 571383290 /nfs/dbraw/zinc/38/32/90/571383290.db2.gz ANCLSTXGCVMNAU-QFWOEDSFSA-N -1 3 527.602 6.384 40 10 KKCBHM O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)[N-]c1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000105307473 571394647 /nfs/dbraw/zinc/39/46/47/571394647.db2.gz LXKFHHQFCFYVCN-UKTHLTGXSA-N -1 3 555.870 7.664 40 10 KKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cccc(Cl)c1Cl ZINC000224606325 571585233 /nfs/dbraw/zinc/58/52/33/571585233.db2.gz SRIOLSVZWUILHZ-DQEYMECFSA-N -1 3 509.462 6.679 40 10 KKCBHM COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c1C ZINC000224609084 571585826 /nfs/dbraw/zinc/58/58/26/571585826.db2.gz HYNNOHSSGLHXLS-UIOOFZCWSA-N -1 3 505.043 6.034 40 10 KKCBHM C[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000224704853 571606958 /nfs/dbraw/zinc/60/69/58/571606958.db2.gz BEEIRSVBFVUAFT-HUUCEWRRSA-N -1 3 554.525 5.373 40 10 KKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cccc2ccccc21 ZINC000224867373 571624778 /nfs/dbraw/zinc/62/47/78/571624778.db2.gz WIHMDYOWTPRGOV-VMPREFPWSA-N -1 3 525.077 7.178 40 10 KKCBHM CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])c2C)cc1 ZINC000224868908 571624923 /nfs/dbraw/zinc/62/49/23/571624923.db2.gz KRHMJFVWLZJDDJ-RRPNLBNLSA-N -1 3 503.071 6.588 40 10 KKCBHM CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c1C ZINC000224868691 571624979 /nfs/dbraw/zinc/62/49/79/571624979.db2.gz JMJCNCMUTJUJPS-SXOMAYOGSA-N -1 3 503.071 6.588 40 10 KKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccc(Cl)cc1 ZINC000224869914 571625069 /nfs/dbraw/zinc/62/50/69/571625069.db2.gz KRXSPTNDUUNACK-JWQCQUIFSA-N -1 3 509.462 6.679 40 10 KKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccc(Br)cc1 ZINC000224870467 571625202 /nfs/dbraw/zinc/62/52/02/571625202.db2.gz PPFQTRJCCBPBLG-JWQCQUIFSA-N -1 3 553.913 6.788 40 10 KKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccc(N(C)C)cc1 ZINC000224871999 571625392 /nfs/dbraw/zinc/62/53/92/571625392.db2.gz YUBPWRKAUGHNHH-RRPNLBNLSA-N -1 3 518.086 6.091 40 10 KKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cccc(C)c1C ZINC000224872621 571625426 /nfs/dbraw/zinc/62/54/26/571625426.db2.gz CXLAJROPSHBYPJ-KAYWLYCHSA-N -1 3 503.071 6.642 40 10 KKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1c(C)cccc1C ZINC000224873100 571625472 /nfs/dbraw/zinc/62/54/72/571625472.db2.gz YOMUXASPZALCFV-BDYUSTAISA-N -1 3 503.071 6.642 40 10 KKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccc2c(c1)OCO2 ZINC000224873455 571625560 /nfs/dbraw/zinc/62/55/60/571625560.db2.gz DOKLPSPSMXGEGQ-UIOOFZCWSA-N -1 3 519.026 5.754 40 10 KKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cc(Cl)ccc1C ZINC000224874268 571625590 /nfs/dbraw/zinc/62/55/90/571625590.db2.gz SBSOWQIIKPIOBI-FTJBHMTQSA-N -1 3 523.489 6.987 40 10 KKCBHM COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c1C ZINC000224874642 571625665 /nfs/dbraw/zinc/62/56/65/571625665.db2.gz LQUITENKAIZQHZ-IZZNHLLZSA-N -1 3 539.488 6.687 40 10 KKCBHM COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c1C ZINC000224874684 571625697 /nfs/dbraw/zinc/62/56/97/571625697.db2.gz LQUITENKAIZQHZ-UIOOFZCWSA-N -1 3 539.488 6.687 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)ccc1[N-]S(C)(=O)=O ZINC000260852510 571752951 /nfs/dbraw/zinc/75/29/51/571752951.db2.gz QPQKGLBOJAMLLO-RRPNLBNLSA-N -1 3 563.749 5.271 40 10 KKCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)ccc1[N-]S(C)(=O)=O ZINC000225417955 571785195 /nfs/dbraw/zinc/78/51/95/571785195.db2.gz DBMUARHQNJUUIN-SVBPBHIXSA-N -1 3 598.194 5.924 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Cl)c2C)ccc1[N-]S(C)(=O)=O ZINC000225426047 571792377 /nfs/dbraw/zinc/79/23/77/571792377.db2.gz PYPLDPJSMDORSD-KAYWLYCHSA-N -1 3 582.151 5.700 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225426140 571792471 /nfs/dbraw/zinc/79/24/71/571792471.db2.gz VGAOGDDXJXNAIB-SXOMAYOGSA-N -1 3 582.151 5.700 40 10 KKCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Cl)c2C)ccc1[N-]S(C)(=O)=O ZINC000225425966 571792495 /nfs/dbraw/zinc/79/24/95/571792495.db2.gz PYPLDPJSMDORSD-SXOMAYOGSA-N -1 3 582.151 5.700 40 10 KKCBHM CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc([N-]S(C)(=O)=O)c(OC)c3)c2C)cc1 ZINC000225428319 571795203 /nfs/dbraw/zinc/79/52/03/571795203.db2.gz PTVYNSPXEIHDPG-JSOSNVBQSA-N -1 3 618.829 5.893 40 10 KKCBHM CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc([N-]S(C)(=O)=O)c(OC)c2)c1C ZINC000225431606 571799218 /nfs/dbraw/zinc/79/92/18/571799218.db2.gz ZFGKCQBXHVDVHA-DGPALRBDSA-N -1 3 589.787 5.917 40 10 KKCBHM CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc([N-]S(C)(=O)=O)c(OC)c2)c1C ZINC000225431685 571799392 /nfs/dbraw/zinc/79/93/92/571799392.db2.gz ZFGKCQBXHVDVHA-JDXGNMNLSA-N -1 3 589.787 5.917 40 10 KKCBHM CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c([N-]S(C)(=O)=O)c3)c2C)cc1 ZINC000225482230 571853000 /nfs/dbraw/zinc/85/30/00/571853000.db2.gz PONMDPINQMOZHK-FIRIVFDPSA-N -1 3 618.829 5.893 40 10 KKCBHM Cc1[n-]n(-c2ccc(Br)c(C)c2C)c(=O)c1C=Nc1cc2[nH]c(=O)[nH]c2cc1N1CCCCC1 ZINC000408526202 572157045 /nfs/dbraw/zinc/15/70/45/572157045.db2.gz AZFBSKUEZXSDJE-LGMDPLHJSA-N -1 3 523.435 5.357 40 10 KKCBHM COc1cc(/C=C2/SC([N-]C(C)=O)=NC2=O)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408531245 572174974 /nfs/dbraw/zinc/17/49/74/572174974.db2.gz OYLSINHNTAGGAL-APSNUPSMSA-N -1 3 560.304 5.283 40 10 KKCBHM CCOc1cc(/C=C2/SC([N-]C(C)=O)=NC2=O)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408541474 572208891 /nfs/dbraw/zinc/20/88/91/572208891.db2.gz ZQKXBAWMSGDAEZ-JVWAILMASA-N -1 3 532.618 5.358 40 10 KKCBHM