smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(OCc5ccc(Br)cc5)cc4)c3C)C(=O)NC2=S)c1 ZINC000408783375 1069740788 /nfs/dbraw/zinc/74/07/88/1069740788.db2.gz KTXQMJQSCWMTFS-STBIYBPSSA-N 0 1 630.564 6.666 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000408772097 1069883302 /nfs/dbraw/zinc/88/33/02/1069883302.db2.gz ATKWHUWEHVSGAJ-LPYMAVHISA-N 0 1 508.441 5.305 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000408775728 1069893524 /nfs/dbraw/zinc/89/35/24/1069893524.db2.gz KJURKQBOYZXLQK-HYARGMPZSA-N 0 1 555.487 5.069 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000408807606 1069954115 /nfs/dbraw/zinc/95/41/15/1069954115.db2.gz CVWGJLOPNGSBQQ-NTEUORMPSA-N 0 1 537.819 5.817 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)C(=O)NC2=S)cc1 ZINC000408819420 1069991477 /nfs/dbraw/zinc/99/14/77/1069991477.db2.gz SAEBTLWJVULZHL-WSDLNYQXSA-N 0 1 520.441 6.136 40 10 KKCBMN COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)o2)cc1Cl ZINC000408845362 1070051592 /nfs/dbraw/zinc/05/15/92/1070051592.db2.gz MLODWIWXEDBNRT-GXDHUFHOSA-N 0 1 535.792 5.525 40 10 KKCBMN Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)cc2Br)cc1 ZINC000408846317 1070053481 /nfs/dbraw/zinc/05/34/81/1070053481.db2.gz IMVAHIBDVFTISR-GZTJUZNOSA-N 0 1 576.299 6.475 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408846761 1070054444 /nfs/dbraw/zinc/05/44/44/1070054444.db2.gz RTIDKSJCNJVVGA-GZTJUZNOSA-N 0 1 607.269 6.074 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000408852908 1070060367 /nfs/dbraw/zinc/06/03/67/1070060367.db2.gz JRHJPCVGZBRQAU-GZTJUZNOSA-N 0 1 561.874 6.456 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000408856820 1070066877 /nfs/dbraw/zinc/06/68/77/1070066877.db2.gz LKMJMZMMBVHMIK-MHWRWJLKSA-N 0 1 558.399 5.321 40 10 KKCBMN CNc1c(I)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1I ZINC000408853782 1070071041 /nfs/dbraw/zinc/07/10/41/1070071041.db2.gz SABFPAVNKUKFFE-WEVVVXLNSA-N 0 1 658.086 5.076 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408866965 1070086984 /nfs/dbraw/zinc/08/69/84/1070086984.db2.gz HQSLRIFKZDRGRG-MFOYZWKCSA-N 0 1 592.298 6.175 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1c(C)ccc2ccccc21 ZINC000408869558 1070091407 /nfs/dbraw/zinc/09/14/07/1070091407.db2.gz SCXFNEFYHUVFRC-IWIPYMOSSA-N 0 1 601.522 6.720 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(C)c(C)c1 ZINC000408869770 1070092145 /nfs/dbraw/zinc/09/21/45/1070092145.db2.gz QVZMQLIFIWVCIE-XKZIYDEJSA-N 0 1 565.489 5.875 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1c(Cc2ccccc2Br)ccc2ccccc21 ZINC000408876795 1070110200 /nfs/dbraw/zinc/11/02/00/1070110200.db2.gz NXEWSBLRQRRUIA-ULJHMMPZSA-N 0 1 527.443 6.024 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccc2ncccc2c1 ZINC000408965979 1070331532 /nfs/dbraw/zinc/33/15/32/1070331532.db2.gz KQGFLNYMCNYUDM-HYARGMPZSA-N 0 1 545.462 5.545 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccccc5s4)o3)C(=O)NC2=S)cc1Cl ZINC000408987644 1070350391 /nfs/dbraw/zinc/35/03/91/1070350391.db2.gz BMBDZCHBSNYWOK-RVDMUPIBSA-N 0 1 512.037 5.834 40 10 KKCBMN Cc1cccc(N2C(=O)/C(=C\c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)c1 ZINC000408992125 1070359599 /nfs/dbraw/zinc/35/95/99/1070359599.db2.gz QNWSEEJTPXKAHU-SFQUDFHCSA-N 0 1 532.628 5.495 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)c7ccccc7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1C ZINC000408994601 1070371196 /nfs/dbraw/zinc/37/11/96/1070371196.db2.gz ZVOJUSXTDIQXHX-ZVHZXABRSA-N 0 1 691.772 6.604 40 10 KKCBMN Cc1cccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4ccc(Br)cc4C)C3=O)c3ccccc32)c1 ZINC000409000613 1070376012 /nfs/dbraw/zinc/37/60/12/1070376012.db2.gz UGAHOHWLXFIMHW-OEAKJJBVSA-N 0 1 544.474 5.900 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OC(C)C ZINC000409069758 1070494732 /nfs/dbraw/zinc/49/47/32/1070494732.db2.gz WHMZOVOVOHFQBZ-RIYZIHGNSA-N 0 1 523.836 5.038 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C)cc4)c(Cl)c3)C2=O)cc1OC ZINC000409149041 1070567123 /nfs/dbraw/zinc/56/71/23/1070567123.db2.gz WFXJCBMFSPXTON-OEAKJJBVSA-N 0 1 549.023 5.687 40 10 KKCBMN CCOc1cc(OCC)c(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1Br ZINC000409239002 1070654724 /nfs/dbraw/zinc/65/47/24/1070654724.db2.gz YFZWNROZSZTILI-WOJGMQOQSA-N 0 1 517.445 5.201 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccccc1Br ZINC000409239115 1070654786 /nfs/dbraw/zinc/65/47/86/1070654786.db2.gz BYJSHOVZVRNGNT-WOJGMQOQSA-N 0 1 528.859 5.650 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000409231069 1070656884 /nfs/dbraw/zinc/65/68/84/1070656884.db2.gz BDQUSFZJJSKNCG-PDGQHHTCSA-N 0 1 514.832 5.341 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000409233711 1070659217 /nfs/dbraw/zinc/65/92/17/1070659217.db2.gz WETBEEPNIFMERE-DEDYPNTBSA-N 0 1 512.462 6.356 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(C)c([N+](=O)[O-])c1 ZINC000409234443 1070660498 /nfs/dbraw/zinc/66/04/98/1070660498.db2.gz WQQCJQPIEJJUKA-YDZHTSKRSA-N 0 1 502.596 5.265 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409241205 1070668633 /nfs/dbraw/zinc/66/86/33/1070668633.db2.gz JKTZILYIJQCNLE-CVKSISIWSA-N 0 1 622.650 7.004 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1Cc1ccccc1Cl ZINC000408878359 1070799945 /nfs/dbraw/zinc/79/99/45/1070799945.db2.gz ADDHXSOKURMLTQ-NDENLUEZSA-N 0 1 555.881 5.923 40 10 KKCBMN Cc1ccc2ccccc2c1COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Br ZINC000408877998 1070803838 /nfs/dbraw/zinc/80/38/38/1070803838.db2.gz ZUNOVZXAWGIHTB-HAHDFKILSA-N 0 1 557.469 6.321 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3cc(I)c(O)c(I)c3)SC2=S)c(C)c1 ZINC000409342268 1070849082 /nfs/dbraw/zinc/84/90/82/1070849082.db2.gz BAPGJPCCKGSEPF-NVNXTCNLSA-N 0 1 593.249 5.624 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OCc4ccc(C)cc4)cc3Br)C(=O)NC2=S)cc1 ZINC000409375944 1070889392 /nfs/dbraw/zinc/88/93/92/1070889392.db2.gz RFTBALTUMVDMEW-LPYMAVHISA-N 0 1 565.489 5.739 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccccc1Br ZINC000408890321 1070883752 /nfs/dbraw/zinc/88/37/52/1070883752.db2.gz RHVKZGPHWZRLTJ-UNOMPAQXSA-N 0 1 663.331 5.863 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3c(OCc4ccc(C)cc4)ccc4ccccc43)C(=O)NC2=S)cc1 ZINC000409376490 1070889783 /nfs/dbraw/zinc/88/97/83/1070889783.db2.gz BDBCZROJFJIRLM-OVVQPSECSA-N 0 1 506.627 6.121 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccccc3Cl)C(=O)NC2=S)cc1 ZINC000409381421 1070899012 /nfs/dbraw/zinc/89/90/12/1070899012.db2.gz GTOHVEIMPSFKIG-KGENOOAVSA-N 0 1 555.881 6.075 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(I)cc4)c(I)c3)C(=O)NC2=S)cc1 ZINC000409381971 1070899783 /nfs/dbraw/zinc/89/97/83/1070899783.db2.gz JISIAIFGXVJMLP-FYJGNVAPSA-N 0 1 694.332 5.869 40 10 KKCBMN O=C(COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl)Nc1ccccc1F ZINC000409388645 1070911063 /nfs/dbraw/zinc/91/10/63/1070911063.db2.gz VYJBCIIWTVDGNG-OQLLNIDSSA-N 0 1 578.836 5.635 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408899177 1070947084 /nfs/dbraw/zinc/94/70/84/1070947084.db2.gz NWCZRSSJEPKIGJ-WQRHYEAKSA-N 0 1 513.402 5.412 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccc2ccccc2c1 ZINC000408916895 1070996199 /nfs/dbraw/zinc/99/61/99/1070996199.db2.gz ICLKPUOFNBBKOZ-OYKKKHCWSA-N 0 1 561.034 6.441 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000408917507 1071147320 /nfs/dbraw/zinc/14/73/20/1071147320.db2.gz VWULLXUOABGESJ-NDENLUEZSA-N 0 1 512.404 5.135 40 10 KKCBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000208681882 1071212358 /nfs/dbraw/zinc/21/23/58/1071212358.db2.gz GOHFAHIBQIPWTJ-UCQKPKSFSA-N 0 1 529.390 5.651 40 10 KKCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc2ccccc2c1 ZINC000408695410 1071384431 /nfs/dbraw/zinc/38/44/31/1071384431.db2.gz UFAUPPCVVUTTHD-HZHRSRAPSA-N 0 1 519.395 5.586 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408694716 1071387023 /nfs/dbraw/zinc/38/70/23/1071387023.db2.gz LVXDMSWTPZXCEX-WOJGMQOQSA-N 0 1 594.833 5.327 40 10 KKCBMN COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1C(=O)N1CCCCC1 ZINC000408693444 1071391942 /nfs/dbraw/zinc/39/19/42/1071391942.db2.gz UUZCAVVEUCONED-UHFFFAOYSA-N 0 1 513.015 5.007 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408692760 1071393106 /nfs/dbraw/zinc/39/31/06/1071393106.db2.gz UOWVDLGHMWEHAS-VCHYOVAHSA-N 0 1 533.806 5.095 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408692980 1071393514 /nfs/dbraw/zinc/39/35/14/1071393514.db2.gz ZZPLTGKFXNRLJA-YVLHZVERSA-N 0 1 533.806 5.095 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000408693862 1071390241 /nfs/dbraw/zinc/39/02/41/1071390241.db2.gz AAQJEHRTOXETHD-LICLKQGHSA-N 0 1 582.278 6.138 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408692522 1071394738 /nfs/dbraw/zinc/39/47/38/1071394738.db2.gz OJMXRGNRFCBBSX-RQZCQDPDSA-N 0 1 582.278 6.138 40 10 KKCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1 ZINC000408692388 1071395621 /nfs/dbraw/zinc/39/56/21/1071395621.db2.gz LJWJJYABOIBDRE-WOJGMQOQSA-N 0 1 548.231 5.195 40 10 KKCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 ZINC000408692421 1071395701 /nfs/dbraw/zinc/39/57/01/1071395701.db2.gz MENHYCFYGNXBJR-GZTJUZNOSA-N 0 1 503.780 5.086 40 10 KKCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 ZINC000408692236 1071396182 /nfs/dbraw/zinc/39/61/82/1071396182.db2.gz IAWVAKJEGCZHIJ-DIBXZPPDSA-N 0 1 536.031 6.869 40 10 KKCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1 ZINC000408692005 1071396542 /nfs/dbraw/zinc/39/65/42/1071396542.db2.gz BDOKPLNBPMNGHA-RQZCQDPDSA-N 0 1 585.225 5.581 40 10 KKCBMN O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C/c1ccc(-c2cccc(Br)c2)o1 ZINC000408966408 1071410262 /nfs/dbraw/zinc/41/02/62/1071410262.db2.gz MQFUSMCJJJJYGY-XNTDXEJSSA-N 0 1 505.752 5.333 40 10 KKCBMN O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1 ZINC000408964538 1071417857 /nfs/dbraw/zinc/41/78/57/1071417857.db2.gz DDJQUYFQJGHBQF-ONUIUJJFSA-N 0 1 656.964 8.198 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000408968287 1071462151 /nfs/dbraw/zinc/46/21/51/1071462151.db2.gz XWGAYBDXNIWQKJ-PXNMLYILSA-N 0 1 522.816 6.025 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1cccc2ccccc21 ZINC000408968285 1071462250 /nfs/dbraw/zinc/46/22/50/1071462250.db2.gz XVUCBOOSCLEHIH-FYJGNVAPSA-N 0 1 503.986 5.871 40 10 KKCBMN COC(=O)c1ccc(Cl)c(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(F)c(Cl)c4)C3=O)c2C)c1 ZINC000408967839 1071464317 /nfs/dbraw/zinc/46/43/17/1071464317.db2.gz VFLDFEBAAWZEDQ-RQZCQDPDSA-N 0 1 546.407 5.158 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408723445 1071528281 /nfs/dbraw/zinc/52/82/81/1071528281.db2.gz UZTYICZLRTXVBA-SRZZPIQSSA-N 0 1 689.358 7.170 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408723024 1071530356 /nfs/dbraw/zinc/53/03/56/1071530356.db2.gz PQRYRBBCRHJLNQ-ZVHZXABRSA-N 0 1 668.940 6.907 40 10 KKCBMN O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc2nc(Sc3ccc(/C=C4\C(=O)NC(=S)N(c5ccccc5)C4=O)cc3[N+](=O)[O-])sc2c1 ZINC000408993843 1071562646 /nfs/dbraw/zinc/56/26/46/1071562646.db2.gz XFQPYCOIPQQBCX-MQXQUQPRSA-N 0 1 669.766 5.867 40 10 KKCBMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC3CSC3)cc1)N2 ZINC000408992626 1071570670 /nfs/dbraw/zinc/57/06/70/1071570670.db2.gz AQOHXDPYYPQKQE-SXDGJLEOSA-N 0 1 555.121 6.470 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(NC(=O)c6ccccc6Cl)cc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1Cl ZINC000408992569 1071572209 /nfs/dbraw/zinc/57/22/09/1071572209.db2.gz SLGSRHLSNQNDQM-CIAFOILYSA-N 0 1 720.641 8.055 40 10 KKCBMN O=C(Nc1ccc2nc(Sc3ccc(/C=C4\C(=O)NC(=S)N(c5ccccc5)C4=O)cc3[N+](=O)[O-])sc2c1)c1ccc(Cl)cc1 ZINC000408991998 1071576619 /nfs/dbraw/zinc/57/66/19/1071576619.db2.gz PSKGWOWCHKILQE-HYARGMPZSA-N 0 1 672.169 7.093 40 10 KKCBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(NC(=O)c6ccccc6C)cc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)c1 ZINC000408991637 1071578476 /nfs/dbraw/zinc/57/84/76/1071578476.db2.gz OQJXUPRSQRPASE-MFKUBSTISA-N 0 1 679.805 7.365 40 10 KKCBMN CCOc1ccc2nc(Sc3ccc(/C=C4/C(=O)NC(=S)N(c5ccc(C)c(Cl)c5)C4=O)cc3[N+](=O)[O-])sc2c1 ZINC000408991334 1071581635 /nfs/dbraw/zinc/58/16/35/1071581635.db2.gz NLDYWUZNMPPTHT-VCHYOVAHSA-N 0 1 611.126 6.548 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(NC(=O)c6ccc(Cl)cc6)cc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1Cl ZINC000408991053 1071583658 /nfs/dbraw/zinc/58/36/58/1071583658.db2.gz MMEVDCNYSXOYQX-WSDLNYQXSA-N 0 1 720.641 8.055 40 10 KKCBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)c7ccccc7C6=O)cc5s4)o3)C(=O)NC2=S)c1 ZINC000408990304 1071589657 /nfs/dbraw/zinc/58/96/57/1071589657.db2.gz KJIMOOIDQFBOPH-HZHRSRAPSA-N 0 1 636.736 6.289 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1 ZINC000408990222 1071591555 /nfs/dbraw/zinc/59/15/55/1071591555.db2.gz JYKPCLGTVTWGMD-MHWRWJLKSA-N 0 1 563.598 5.095 40 10 KKCBMN Cc1cccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)c1 ZINC000408988996 1071599476 /nfs/dbraw/zinc/59/94/76/1071599476.db2.gz GIZSJYFLULYOJL-LICLKQGHSA-N 0 1 577.625 5.404 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408739815 1071601418 /nfs/dbraw/zinc/60/14/18/1071601418.db2.gz ASMLJQZQYIBZBF-DJKKODMXSA-N 0 1 606.325 6.483 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000408739769 1071601447 /nfs/dbraw/zinc/60/14/47/1071601447.db2.gz AGZNOFACTYLZDQ-NDENLUEZSA-N 0 1 634.337 5.909 40 10 KKCBMN CCOc1ccc2nc(Sc3ccc(/C=C4/C(=O)NC(=S)N(c5cccc(C)c5)C4=O)cc3[N+](=O)[O-])sc2c1 ZINC000408988094 1071606723 /nfs/dbraw/zinc/60/67/23/1071606723.db2.gz CMXVRNUYPLKWBD-XDHOZWIPSA-N 0 1 576.681 5.894 40 10 KKCBMN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)NC1=S ZINC000408743668 1071617922 /nfs/dbraw/zinc/61/79/22/1071617922.db2.gz WWYBCMULAYNVAE-MHWRWJLKSA-N 0 1 536.234 6.156 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1ccccc1 ZINC000408742729 1071620140 /nfs/dbraw/zinc/62/01/40/1071620140.db2.gz SJDSKSBFXRTSHI-KGENOOAVSA-N 0 1 551.462 5.567 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 ZINC000408742661 1071621185 /nfs/dbraw/zinc/62/11/85/1071621185.db2.gz RVWGTYMYMCYYDJ-VXLYETTFSA-N 0 1 590.268 5.761 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4)c(Br)c3)C(=O)NC2=S)cc1 ZINC000408741038 1071627749 /nfs/dbraw/zinc/62/77/49/1071627749.db2.gz JNISBVHBGLCXRO-DEDYPNTBSA-N 0 1 507.409 5.168 40 10 KKCBMN Cc1cc(Br)ccc1N1C(=O)C(=CC2=CC(=NNc3ccccc3)C=CC2=O)C(=O)NC1=S ZINC000408741885 1071623425 /nfs/dbraw/zinc/62/34/25/1071623425.db2.gz OHFMWYOXPCCUCC-YKQPFYATSA-N 0 1 521.396 5.710 40 10 KKCBMN CCOc1cccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccccc4)c(OC)c3)C(=O)NC2=S)c1 ZINC000408741755 1071624572 /nfs/dbraw/zinc/62/45/72/1071624572.db2.gz RWSBAZBQDXCTGB-CIAFOILYSA-N 0 1 567.461 5.267 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408741436 1071625737 /nfs/dbraw/zinc/62/57/37/1071625737.db2.gz LYTHAXDWJVFMPO-VXLYETTFSA-N 0 1 602.304 5.631 40 10 KKCBMN CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4)C3=O)c1C)CCCC2 ZINC000408740699 1071629046 /nfs/dbraw/zinc/62/90/46/1071629046.db2.gz DJILZODIGONNNW-PXLXIMEGSA-N 0 1 547.702 5.351 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408740161 1071632010 /nfs/dbraw/zinc/63/20/10/1071632010.db2.gz DQWTYQSEIFCBSM-GIJQJNRQSA-N 0 1 683.749 6.126 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C/c3cc(Br)c(Sc4ccccc4)o3)C(=O)NC2=S)cc1 ZINC000409000148 1071651089 /nfs/dbraw/zinc/65/10/89/1071651089.db2.gz DWHMNGHYYWVQCG-GZTJUZNOSA-N 0 1 515.410 5.033 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4cccc5ccccc54)c(Br)c3)C(=O)NC2=S)cc1 ZINC000408751729 1071668541 /nfs/dbraw/zinc/66/85/41/1071668541.db2.gz BYEQTDNCSULOFY-QRVIBDJDSA-N 0 1 652.364 6.784 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(OCc5ccc(Cl)cc5Cl)cc4)c3C)C(=O)NC2=S)cc1 ZINC000409009383 1071696634 /nfs/dbraw/zinc/69/66/34/1071696634.db2.gz FAIHOYULIWHVIU-JFLMPSFJSA-N 0 1 606.531 6.820 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000409024330 1071712253 /nfs/dbraw/zinc/71/22/53/1071712253.db2.gz QQCYUANGIPWULI-JFLMPSFJSA-N 0 1 604.501 6.406 40 10 KKCBMN CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc1Cl ZINC000409019948 1071727900 /nfs/dbraw/zinc/72/79/00/1071727900.db2.gz LAXJSGBJWCBCCZ-BVTUPMQUSA-N 0 1 507.837 5.420 40 10 KKCBMN O=C(Cn1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc21)Nc1ccccc1 ZINC000408763632 1071731889 /nfs/dbraw/zinc/73/18/89/1071731889.db2.gz PZHHHUDITPDHAT-UYRXBGFRSA-N 0 1 549.439 5.418 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000408776972 1071747914 /nfs/dbraw/zinc/74/79/14/1071747914.db2.gz UACRJAVXWRZAPO-RGVLZGJSSA-N 0 1 616.331 5.939 40 10 KKCBMN CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4)c3C)C(=O)NC2=S)cc1 ZINC000408774214 1071761707 /nfs/dbraw/zinc/76/17/07/1071761707.db2.gz BDFRAURRGOUNBK-WGOQTCKBSA-N 0 1 627.635 5.933 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408772234 1071775151 /nfs/dbraw/zinc/77/51/51/1071775151.db2.gz FLZBPQMKXVWKJF-WKULSOCRSA-N 0 1 570.158 7.047 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408771315 1071781169 /nfs/dbraw/zinc/78/11/69/1071781169.db2.gz FUOJOXUHMDGOBX-IPPBACCNSA-N 0 1 614.609 7.156 40 10 KKCBMN CCOc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Br)cc4Br)c(OC)c3)C(=O)NC2=S)c1 ZINC000408770984 1071784423 /nfs/dbraw/zinc/78/44/23/1071784423.db2.gz BPPFRQIJOCUZQS-SRZZPIQSSA-N 0 1 646.357 6.029 40 10 KKCBMN COC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)c1C)CCCC2 ZINC000408768145 1071803520 /nfs/dbraw/zinc/80/35/20/1071803520.db2.gz UCIURWYJZSSIHN-WOJGMQOQSA-N 0 1 588.538 5.959 40 10 KKCBMN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(I)c(O)c(I)c1 ZINC000409046836 1071828826 /nfs/dbraw/zinc/82/88/26/1071828826.db2.gz KWRLUNNHWYUVHZ-FARCUNLSSA-N 0 1 620.053 5.103 40 10 KKCBMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000408780366 1071824243 /nfs/dbraw/zinc/82/42/43/1071824243.db2.gz BHLIIIGZHPVCFA-CXUHLZMHSA-N 0 1 626.794 6.653 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408786715 1071849267 /nfs/dbraw/zinc/84/92/67/1071849267.db2.gz VAGWQYMRTRVDKC-ZMOGYAJESA-N 0 1 662.478 6.297 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408784654 1071863203 /nfs/dbraw/zinc/86/32/03/1071863203.db2.gz VRERIOUMARZYPU-OKCVXOCRSA-N 0 1 563.767 7.010 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000408784771 1071862089 /nfs/dbraw/zinc/86/20/89/1071862089.db2.gz UVSFOYQIJZJANP-LZYBPNLTSA-N 0 1 626.794 6.653 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000408783207 1071872217 /nfs/dbraw/zinc/87/22/17/1071872217.db2.gz LBKYCAWZSFRQDV-FYJGNVAPSA-N 0 1 569.468 5.455 40 10 KKCBMN Cc1ccc(S(=O)(=O)Nc2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000409056394 1071922413 /nfs/dbraw/zinc/92/24/13/1071922413.db2.gz DJFHTVLBYGKRHQ-QGZVFWFLSA-N 0 1 517.116 6.914 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000409074464 1072040927 /nfs/dbraw/zinc/04/09/27/1072040927.db2.gz ZQCXLJHOUXCFAL-PCLIKHOPSA-N 0 1 590.532 7.120 40 10 KKCBMN Cc1c(Cl)cccc1N1C(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)C(=O)NC1=S ZINC000409095487 1072240093 /nfs/dbraw/zinc/24/00/93/1072240093.db2.gz HYKMLVBWJUGYBB-OOAXWGSJSA-N 0 1 574.105 7.604 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)C(=O)NC2=S)c(OC)c1 ZINC000409095367 1072240995 /nfs/dbraw/zinc/24/09/95/1072240995.db2.gz CEVXTVRXJULZIZ-VCHYOVAHSA-N 0 1 530.433 5.249 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000409106679 1072341676 /nfs/dbraw/zinc/34/16/76/1072341676.db2.gz SKIPFEVIWGPVAM-UQQQWYQISA-N 0 1 526.061 6.554 40 10 KKCBMN Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)C(=O)NC1=S ZINC000409103756 1072358287 /nfs/dbraw/zinc/35/82/87/1072358287.db2.gz FPMVJKYERYZDJL-FYJGNVAPSA-N 0 1 547.011 5.212 40 10 KKCBMN Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C(=O)NC1=S ZINC000409103418 1072361470 /nfs/dbraw/zinc/36/14/70/1072361470.db2.gz GVPVCHQHWLGUNT-DEDYPNTBSA-N 0 1 503.986 5.622 40 10 KKCBMN Cc1c(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)c2ccccc2n1Cc1ccccc1Cl ZINC000409327537 1072401878 /nfs/dbraw/zinc/40/18/78/1072401878.db2.gz KRFIOABEJOARDR-XKZIYDEJSA-N 0 1 524.092 6.259 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccccc1Br ZINC000409108659 1072406446 /nfs/dbraw/zinc/40/64/46/1072406446.db2.gz YDQLEHNEZHVZLP-SFQUDFHCSA-N 0 1 528.859 5.650 40 10 KKCBMN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc(I)c1OCc1ccccc1 ZINC000409341941 1072454364 /nfs/dbraw/zinc/45/43/64/1072454364.db2.gz CVUPKUZSFYIDES-DEDYPNTBSA-N 0 1 622.531 5.877 40 10 KKCBMN COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409340530 1072466881 /nfs/dbraw/zinc/46/68/81/1072466881.db2.gz YQRGIVZNFJONEQ-YBFXNURJSA-N 0 1 640.400 6.407 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)cc(Cl)c3OS(=O)(=O)c3ccc(C)cc3)C2=O)cc1OC ZINC000409136981 1072475330 /nfs/dbraw/zinc/47/53/30/1072475330.db2.gz SSPVFFPJXAVJNY-HYARGMPZSA-N 0 1 633.506 5.529 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc(F)cc4)c(Cl)c3)C2=O)cc1OC ZINC000409135080 1072488927 /nfs/dbraw/zinc/48/89/27/1072488927.db2.gz PSZXVJZXQWYQGS-SRZZPIQSSA-N 0 1 587.431 6.171 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OS(=O)(=O)c4ccccc4)c(OCC)c3)C2=O)cc1OC ZINC000409133717 1072497154 /nfs/dbraw/zinc/49/71/54/1072497154.db2.gz QYFUXBCBRIBXEE-HYARGMPZSA-N 0 1 673.538 5.075 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3c(OCc4cccc5ccccc54)ccc4ccccc43)C2=O)cc1OC ZINC000409131292 1072511045 /nfs/dbraw/zinc/51/10/45/1072511045.db2.gz IQQOIRDLHKZBJN-NJZRLIGZSA-N 0 1 600.671 7.031 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)c(Br)c3)C2=O)cc1OC ZINC000409130150 1072515486 /nfs/dbraw/zinc/51/54/86/1072515486.db2.gz WEBXDBQPWGFZQW-LPYMAVHISA-N 0 1 597.437 5.627 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccccc3OCc3cccc4ccccc43)C2=O)cc1OC ZINC000409129589 1072518737 /nfs/dbraw/zinc/51/87/37/1072518737.db2.gz UNCPDISMFJMFSM-ZXVVBBHZSA-N 0 1 550.611 5.878 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Br)cc(Br)c3OCc3ccc(F)cc3)C2=O)cc1OC ZINC000409144826 1072532512 /nfs/dbraw/zinc/53/25/12/1072532512.db2.gz GWHAVGWEBSSWDZ-LPYMAVHISA-N 0 1 676.333 6.389 40 10 KKCBMN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409351301 1072537739 /nfs/dbraw/zinc/53/77/39/1072537739.db2.gz TWTUSOHQEGPOHY-PCLIKHOPSA-N 0 1 546.695 6.425 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)cc(Cl)c3OS(=O)(=O)c3ccccc3)C2=O)cc1OC ZINC000409143300 1072541192 /nfs/dbraw/zinc/54/11/92/1072541192.db2.gz MSBGWISOMCARAQ-KGENOOAVSA-N 0 1 619.479 5.221 40 10 KKCBMN CCCOc1c(I)cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)cc1OCC ZINC000409350034 1072545394 /nfs/dbraw/zinc/54/53/94/1072545394.db2.gz WXLPDABMYNFDPE-WJDWOHSUSA-N 0 1 574.487 5.086 40 10 KKCBMN O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(Cc2ccccc2)c2ccc(Br)cc12 ZINC000409142817 1072545953 /nfs/dbraw/zinc/54/59/53/1072545953.db2.gz DMXWDPWFNZABMX-YDZHTSKRSA-N 0 1 514.379 5.114 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)C2=O)cc1OC ZINC000409142584 1072546341 /nfs/dbraw/zinc/54/63/41/1072546341.db2.gz KXQBNOVFLTZWMH-BUVRLJJBSA-N 0 1 589.601 5.032 40 10 KKCBMN O=C(NN1C(=O)/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)SC1=S)c1cccs1 ZINC000409349753 1072547162 /nfs/dbraw/zinc/54/71/62/1072547162.db2.gz WCAWLWQHDAEFQQ-UFFVCSGVSA-N 0 1 544.510 6.604 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCc3ccccc3Cl)C2=O)cc1OC ZINC000409142282 1072548119 /nfs/dbraw/zinc/54/81/19/1072548119.db2.gz XQTGYBWEWKOGKO-PXLXIMEGSA-N 0 1 613.892 6.141 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000409140428 1072559543 /nfs/dbraw/zinc/55/95/43/1072559543.db2.gz FDVIXJDFMGCKBA-OGLMXYFKSA-N 0 1 553.659 6.260 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc(Cl)cc4)c(Cl)c3)C2=O)cc1OC ZINC000409140253 1072560007 /nfs/dbraw/zinc/56/00/07/1072560007.db2.gz QKUWQLPOFQGQRN-SRZZPIQSSA-N 0 1 603.886 6.685 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccc(C)cc4)c3)C2=O)cc1OC ZINC000409140297 1072560073 /nfs/dbraw/zinc/56/00/73/1072560073.db2.gz DKXZJMFDYBULKY-XYGWBWBKSA-N 0 1 514.578 5.033 40 10 KKCBMN O=C(NN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)SC1=S)c1cccs1 ZINC000409347676 1072563417 /nfs/dbraw/zinc/56/34/17/1072563417.db2.gz QVNNGRUCPHGJSD-CXUHLZMHSA-N 0 1 536.410 5.225 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4cccc5ccccc54)c(OCC)c3)C2=O)cc1OC ZINC000409145656 1072585706 /nfs/dbraw/zinc/58/57/06/1072585706.db2.gz REGYBFMVZBSFAK-JVWAILMASA-N 0 1 673.560 7.039 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OCc4ccc(Cl)c(Cl)c4)cc3Br)C(=O)NC2=S)cc1 ZINC000409375566 1072624134 /nfs/dbraw/zinc/62/41/34/1072624134.db2.gz MOUSBGXHVJWKKH-YBFXNURJSA-N 0 1 620.352 6.737 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)C(=O)NC2=S)cc1 ZINC000409374843 1072635785 /nfs/dbraw/zinc/63/57/85/1072635785.db2.gz AJHLBVOLSIFOKY-FYJGNVAPSA-N 0 1 613.433 5.172 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409374468 1072637507 /nfs/dbraw/zinc/63/75/07/1072637507.db2.gz QKWBIFQXEIPHPP-VCHYOVAHSA-N 0 1 606.800 5.177 40 10 KKCBMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000409374365 1072638718 /nfs/dbraw/zinc/63/87/18/1072638718.db2.gz NQVNZGAPGIARCF-OVCLIPMQSA-N 0 1 507.749 5.102 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409374225 1072640032 /nfs/dbraw/zinc/64/00/32/1072640032.db2.gz ZBQNYSBODYGCGO-VCHYOVAHSA-N 0 1 515.349 5.226 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(I)c1OCc1ccc2ccccc2c1 ZINC000409373808 1072641144 /nfs/dbraw/zinc/64/11/44/1072641144.db2.gz WJGCTECXYVNCFR-WSDLNYQXSA-N 0 1 608.388 5.287 40 10 KKCBMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1 ZINC000409373454 1072641734 /nfs/dbraw/zinc/64/17/34/1072641734.db2.gz SVTGGFYSRLXPSY-CAOOACKPSA-N 0 1 597.192 5.432 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1ccc2ccccc2c1 ZINC000409372997 1072643484 /nfs/dbraw/zinc/64/34/84/1072643484.db2.gz OXJNGGWZRLNNDO-WSDLNYQXSA-N 0 1 516.937 5.336 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C(=O)NC2=S)c(C)c1 ZINC000409148127 1072643872 /nfs/dbraw/zinc/64/38/72/1072643872.db2.gz XIUVIIPSFNYEFL-OEAKJJBVSA-N 0 1 510.575 5.046 40 10 KKCBMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000409373074 1072643947 /nfs/dbraw/zinc/64/39/47/1072643947.db2.gz QOYCMNBJWQFNID-LZYBPNLTSA-N 0 1 550.192 5.590 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409372363 1072645070 /nfs/dbraw/zinc/64/50/70/1072645070.db2.gz KMEDIAKNTCICKW-CCVNUDIWSA-N 0 1 523.633 5.817 40 10 KKCBMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2ccc3ccccc3c2)c(I)c1 ZINC000409371729 1072648650 /nfs/dbraw/zinc/64/86/50/1072648650.db2.gz GVYFWCKYAMJAED-LPYMAVHISA-N 0 1 578.362 5.278 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409370454 1072654846 /nfs/dbraw/zinc/65/48/46/1072654846.db2.gz REUZXMRYYPGFHJ-CIAFOILYSA-N 0 1 596.459 5.339 40 10 KKCBMN CCOC(=O)c1c(C)c(C)sc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)c1C ZINC000409370208 1072654911 /nfs/dbraw/zinc/65/49/11/1072654911.db2.gz MXFMPLWDBKWHAD-HYARGMPZSA-N 0 1 535.691 5.343 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3cccc(F)c3)C(=O)NC2=S)cc1 ZINC000409369369 1072659281 /nfs/dbraw/zinc/65/92/81/1072659281.db2.gz BNTQFOADYNRDKP-HYARGMPZSA-N 0 1 539.426 5.561 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)c(Cl)c4)c(I)c3)C(=O)NC2=S)cc1 ZINC000409379142 1072671484 /nfs/dbraw/zinc/67/14/84/1072671484.db2.gz UTUNCNGELWOWDN-YBFXNURJSA-N 0 1 637.326 6.571 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3c(OCc4ccc(Cl)cc4Cl)ccc4ccccc43)C(=O)NC2=S)cc1 ZINC000409379186 1072672034 /nfs/dbraw/zinc/67/20/34/1072672034.db2.gz VLOCJPAGHYTHDE-PCLIKHOPSA-N 0 1 561.490 7.119 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4)c(I)c3)C(=O)NC2=S)cc1 ZINC000409378377 1072675661 /nfs/dbraw/zinc/67/56/61/1072675661.db2.gz OYWSNEVFXCWMPF-KGENOOAVSA-N 0 1 568.436 5.264 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409386841 1072683997 /nfs/dbraw/zinc/68/39/97/1072683997.db2.gz NQTXGMNTDXYINM-LPYMAVHISA-N 0 1 539.028 5.851 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc5ccccc5c4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409385014 1072696231 /nfs/dbraw/zinc/69/62/31/1072696231.db2.gz GKJJQLPXWMNPEN-YZSQISJMSA-N 0 1 522.626 5.821 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409382082 1072708905 /nfs/dbraw/zinc/70/89/05/1072708905.db2.gz XRIXCUHOSWTBED-KEBDBYFISA-N 0 1 620.352 6.737 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc5ccccc5c4)c4ccccc34)C(=O)NC2=S)cc1 ZINC000409381630 1072710808 /nfs/dbraw/zinc/71/08/08/1072710808.db2.gz IAKFKBRVHFIXSQ-MTDXEUNCSA-N 0 1 515.638 6.237 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409381306 1072712204 /nfs/dbraw/zinc/71/22/04/1072712204.db2.gz FXELIMFZRTWVLJ-VXLYETTFSA-N 0 1 620.352 6.737 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409381040 1072714637 /nfs/dbraw/zinc/71/46/37/1072714637.db2.gz DEZVOTHTDJOIQS-LPYMAVHISA-N 0 1 583.479 5.960 40 10 KKCBMN COc1ccccc1N1C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)NC1=S ZINC000409175409 1072716123 /nfs/dbraw/zinc/71/61/23/1072716123.db2.gz YSSGIBASWWCPLB-UDWIEESQSA-N 0 1 536.440 5.836 40 10 KKCBMN COc1ccccc1N1C(=O)/C(=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C(=O)NC1=S ZINC000409172251 1072734871 /nfs/dbraw/zinc/73/48/71/1072734871.db2.gz FHNUFATZVLIWSP-BOPFTXTBSA-N 0 1 500.407 5.241 40 10 KKCBMN COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)C(=O)NC1=S ZINC000409169722 1072747989 /nfs/dbraw/zinc/74/79/89/1072747989.db2.gz YQAPKFLMEGXHOH-LQKURTRISA-N 0 1 565.739 6.402 40 10 KKCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Br)cc2)c(I)c1 ZINC000409399396 1072750047 /nfs/dbraw/zinc/75/00/47/1072750047.db2.gz HWDYHNDTWOVNTR-UNOMPAQXSA-N 0 1 575.200 5.094 40 10 KKCBMN COc1cc(Cl)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc(Br)cc1 ZINC000409407213 1072754816 /nfs/dbraw/zinc/75/48/16/1072754816.db2.gz LTZMSMCTNUHHEC-UDWIEESQSA-N 0 1 513.775 5.152 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCc1cccc(F)c1 ZINC000409405993 1072760112 /nfs/dbraw/zinc/76/01/12/1072760112.db2.gz JDNOXUYHOZWVHT-NDENLUEZSA-N 0 1 511.347 5.027 40 10 KKCBMN COc1ccccc1N1C(=O)/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C(=O)NC1=S ZINC000409167428 1072760274 /nfs/dbraw/zinc/76/02/74/1072760274.db2.gz KPVXIHIMMGSRPU-CPNJWEJPSA-N 0 1 536.440 5.836 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1Br ZINC000409405531 1072761668 /nfs/dbraw/zinc/76/16/68/1072761668.db2.gz HNOZPWNGGNZUDS-GRSHGNNSSA-N 0 1 606.698 6.304 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409403728 1072770171 /nfs/dbraw/zinc/77/01/71/1072770171.db2.gz AXGRMOHISVBTSG-ZDLGFXPLSA-N 0 1 609.247 6.037 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4cccc(F)c4)c(OC)c3)C2=O)cc1OCC ZINC000409192383 1072825652 /nfs/dbraw/zinc/82/56/52/1072825652.db2.gz BYCMQSVCTBUBFM-YDZHTSKRSA-N 0 1 597.039 5.916 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccccc3F)C2=O)cc1OCC ZINC000409195707 1072835051 /nfs/dbraw/zinc/83/50/51/1072835051.db2.gz VNAIECGNKFLAFG-XQNSMLJCSA-N 0 1 567.013 5.908 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OS(=O)(=O)c4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409194458 1072843646 /nfs/dbraw/zinc/84/36/46/1072843646.db2.gz LSGMONGAUNCZIT-OEAKJJBVSA-N 0 1 769.010 5.961 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Cl)c(OS(=O)(=O)c4ccc(Cl)cc4)c(OC)c3)C2=O)cc1OCC ZINC000409193694 1072848326 /nfs/dbraw/zinc/84/83/26/1072848326.db2.gz KTQUEZYHPWVLJP-LPYMAVHISA-N 0 1 663.532 5.619 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(F)c4)cc3)C2=O)cc1OCC ZINC000409192252 1072856285 /nfs/dbraw/zinc/85/62/85/1072856285.db2.gz AFUVRXJWVTZLJP-PCLIKHOPSA-N 0 1 532.568 5.254 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(F)c4)c(OC)c3)C2=O)cc1OCC ZINC000409191929 1072858169 /nfs/dbraw/zinc/85/81/69/1072858169.db2.gz QPRGJCJZVRCATL-BUVRLJJBSA-N 0 1 562.594 5.263 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)cc1OCC ZINC000409191995 1072858890 /nfs/dbraw/zinc/85/88/90/1072858890.db2.gz RYMCTEAYERCHOG-XYGWBWBKSA-N 0 1 559.575 5.023 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4F)c(OC)c3)C2=O)cc1OCC ZINC000409191804 1072859257 /nfs/dbraw/zinc/85/92/57/1072859257.db2.gz NQICYXWWSMAAIL-HZHRSRAPSA-N 0 1 562.594 5.263 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)cc(Br)c3OCCC)C2=O)cc1OCC ZINC000409191463 1072863394 /nfs/dbraw/zinc/86/33/94/1072863394.db2.gz ICUCECBZXITITC-CPNJWEJPSA-N 0 1 624.326 5.850 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC ZINC000409189629 1072875085 /nfs/dbraw/zinc/87/50/85/1072875085.db2.gz LWCUOWUMYCUKND-OEAKJJBVSA-N 0 1 717.367 6.548 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC ZINC000409189665 1072875248 /nfs/dbraw/zinc/87/52/48/1072875248.db2.gz MPAIUBAHLQGFBR-JJIBRWJFSA-N 0 1 559.575 5.023 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4cccc(F)c4)c(OCC)c3)C2=O)cc1OCC ZINC000409189044 1072879107 /nfs/dbraw/zinc/87/91/07/1072879107.db2.gz HRZWHLVKRSQJAP-ZVHZXABRSA-N 0 1 611.066 6.306 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc(Cl)cc4Cl)c(OCC)c3)C2=O)cc1OCC ZINC000409189097 1072879594 /nfs/dbraw/zinc/87/95/94/1072879594.db2.gz CRURWSXNDNFMMW-FSJBWODESA-N 0 1 661.966 7.474 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4)c(Br)c3)C2=O)cc1OCC ZINC000409188797 1072881009 /nfs/dbraw/zinc/88/10/09/1072881009.db2.gz GHPMAOUESQAONV-HZHRSRAPSA-N 0 1 593.474 5.878 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4ccccc4F)c(OC)c3)C2=O)cc1OCC ZINC000409188455 1072882524 /nfs/dbraw/zinc/88/25/24/1072882524.db2.gz HRZDTWWEFYKRKD-LPYMAVHISA-N 0 1 688.490 5.867 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C)cc4)c(Cl)c3)C2=O)cc1OCC ZINC000409188341 1072883262 /nfs/dbraw/zinc/88/32/62/1072883262.db2.gz GVCPLKWOMAPIDA-BUVRLJJBSA-N 0 1 563.050 6.077 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)C2=O)cc1OCC ZINC000409187975 1072884135 /nfs/dbraw/zinc/88/41/35/1072884135.db2.gz DWGAXWCVDKQIHA-WSDLNYQXSA-N 0 1 628.465 6.330 40 10 KKCBMN O=C1/C(=C\c2cc(I)c(O)c(I)c2)SC(=S)N1c1cccc(Br)c1 ZINC000409205398 1072898125 /nfs/dbraw/zinc/89/81/25/1072898125.db2.gz QDJPRSGGMMBYID-AWNIVKPZSA-N 0 1 644.091 5.770 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409221631 1072998165 /nfs/dbraw/zinc/99/81/65/1072998165.db2.gz UBERQDFKPYNHGI-LGJNPRDNSA-N 0 1 624.977 7.773 40 10 KKCBMN COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(C)C)cc4)C3=O)c2C)c1 ZINC000409229816 1073018554 /nfs/dbraw/zinc/01/85/54/1073018554.db2.gz VJAMOVGPOVILPG-ZVHZXABRSA-N 0 1 515.635 5.144 40 10 KKCBMN COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2C)c1C ZINC000409229374 1073021561 /nfs/dbraw/zinc/02/15/61/1073021561.db2.gz OCZRSCMDNIEIMV-CIAFOILYSA-N 0 1 541.551 5.039 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000409228996 1073022589 /nfs/dbraw/zinc/02/25/89/1073022589.db2.gz IGUASUPYYUPMME-MFKUBSTISA-N 0 1 567.627 5.638 40 10 KKCBMN Cc1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)o2)cc1[N+](=O)[O-] ZINC000409228806 1073025715 /nfs/dbraw/zinc/02/57/15/1073025715.db2.gz FMFBXRNGIWQURH-GZTJUZNOSA-N 0 1 501.442 5.013 40 10 KKCBMN CC[C@@H](C)Oc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1OC ZINC000409228444 1073027166 /nfs/dbraw/zinc/02/71/66/1073027166.db2.gz YWGCPGYDRDPCFB-ZMTLZGASSA-N 0 1 523.836 5.120 40 10 KKCBMN Cc1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4)C3=O)o2)c(Br)c1 ZINC000409236701 1073037858 /nfs/dbraw/zinc/03/78/58/1073037858.db2.gz GLBFIINYHINFCN-GZTJUZNOSA-N 0 1 501.789 5.502 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4F)c4ccccc34)C(=O)NC2=S)cc1Cl ZINC000409236316 1073038991 /nfs/dbraw/zinc/03/89/91/1073038991.db2.gz DVNSZCHCBAPUKR-CIAFOILYSA-N 0 1 503.986 5.622 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1 ZINC000409234647 1073049140 /nfs/dbraw/zinc/04/91/40/1073049140.db2.gz OJXZXONGNZWHIJ-UYRXBGFRSA-N 0 1 524.404 5.967 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000409230666 1073068366 /nfs/dbraw/zinc/06/83/66/1073068366.db2.gz FELMIQYESFZQNZ-FYJGNVAPSA-N 0 1 522.468 5.613 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409240418 1073107842 /nfs/dbraw/zinc/10/78/42/1073107842.db2.gz TWXAJOVQZCKRNK-OKCVXOCRSA-N 0 1 563.767 7.010 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409240456 1073108265 /nfs/dbraw/zinc/10/82/65/1073108265.db2.gz PUOIWAKWGGRSIM-JFLMPSFJSA-N 0 1 610.057 7.177 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)c(Br)c1O ZINC000409237858 1073124932 /nfs/dbraw/zinc/12/49/32/1073124932.db2.gz KAAPNMREQKMKJY-WUXMJOGZSA-N 0 1 574.678 5.109 40 10 KKCBMN Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c1 ZINC000409250421 1073135864 /nfs/dbraw/zinc/13/58/64/1073135864.db2.gz LKQNKEAJIDPKBF-NDENLUEZSA-N 0 1 629.330 5.369 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)C1=Cc1ccc2c(c1)CCN2Cc1ccccc1Cl ZINC000002588359 1073200511 /nfs/dbraw/zinc/20/05/11/1073200511.db2.gz WIRIWYAKXHFLJH-RGEXLXHISA-N 0 1 508.430 5.799 40 10 KKCBMN COc1cccc(N2C(=O)C(=Cc3ccc4c(c3)CCN4Cc3ccccc3Cl)C(=O)NC2=S)c1 ZINC000033332591 1073207490 /nfs/dbraw/zinc/20/74/90/1073207490.db2.gz OSUVMBAUFKYWRF-HMAPJEAMSA-N 0 1 504.011 5.583 40 10 KKCBMN CCOc1ccc(N2C(=O)C(=Cc3ccc4c(c3)CCN4Cc3ccccc3Cl)C(=O)NC2=S)cc1 ZINC000035045396 1073209307 /nfs/dbraw/zinc/20/93/07/1073209307.db2.gz WBIVFBMICKFTDK-KQWNVCNZSA-N 0 1 518.038 5.973 40 10 KKCBMN Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2Cl)cc1C ZINC000409263413 1073218452 /nfs/dbraw/zinc/21/84/52/1073218452.db2.gz MPYAENSWEOABIC-JAIQZWGSSA-N 0 1 554.455 5.459 40 10 KKCBMN Cc1[nH]n(-c2ccc(Br)cc2)c(=O)c1C=C1C(=O)N(c2ccc(Br)cc2)N=C1C ZINC000000808975 551543698 /nfs/dbraw/zinc/54/36/98/551543698.db2.gz WCGZGCWWLPPDNO-ODLFYWEKSA-N 0 1 516.193 5.217 40 10 KKCBMN CN(C)c1ccc([C@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000020192092 553605895 /nfs/dbraw/zinc/60/58/95/553605895.db2.gz VGWCVOKFLCZQPG-WJOKGBTCSA-N 0 1 513.770 6.960 40 10 KKCBMN CN(C)c1ccc([C@@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000020192113 553606114 /nfs/dbraw/zinc/60/61/14/553606114.db2.gz TYLSPKYIYXNCON-PMERELPUSA-N 0 1 517.733 7.104 40 10 KKCBMN COc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCCCOc1c(C)cccc1C ZINC000033524993 553961722 /nfs/dbraw/zinc/96/17/22/553961722.db2.gz UIMYYAMQVPCPEE-PXLXIMEGSA-N 0 1 504.539 5.255 40 10 KKCBMN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)[C@H](N[C@@H](C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000097999468 554043138 /nfs/dbraw/zinc/04/31/38/554043138.db2.gz GYWXPURVSNZRDM-QTELLAOKSA-N 0 1 610.864 10.250 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000100115355 554223203 /nfs/dbraw/zinc/22/32/03/554223203.db2.gz VXBVQNNAQDGBLW-NDENLUEZSA-N 0 1 559.283 5.450 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000100226396 554253294 /nfs/dbraw/zinc/25/32/94/554253294.db2.gz YCEHSVXZZHWULA-RGVLZGJSSA-N 0 1 606.325 6.565 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000100226497 554253566 /nfs/dbraw/zinc/25/35/66/554253566.db2.gz GAZNDVURLWIFPS-UNOMPAQXSA-N 0 1 618.880 5.754 40 10 KKCBMN CCOc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)c(Br)c3)C(=O)NC2=S)c1 ZINC000100247910 554261788 /nfs/dbraw/zinc/26/17/88/554261788.db2.gz VIRPAUPIWLZDJH-CIAFOILYSA-N 0 1 555.425 5.397 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000100320950 554305170 /nfs/dbraw/zinc/30/51/70/554305170.db2.gz KAFRCSTVJZFJPN-YBFXNURJSA-N 0 1 602.304 5.631 40 10 KKCBMN COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc(OC)ccc2OC)N3)c1 ZINC000058849414 554368874 /nfs/dbraw/zinc/36/88/74/554368874.db2.gz NCIFAEIVWNIJQR-GTNJKRJXSA-N 0 1 522.623 5.348 40 10 KKCBMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000058849633 554369183 /nfs/dbraw/zinc/36/91/83/554369183.db2.gz JOOPNRDKUGMRED-WZOHSFFVSA-N 0 1 501.435 6.629 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1 ZINC000059135990 554382056 /nfs/dbraw/zinc/38/20/56/554382056.db2.gz CZRHKFFPCNPCIX-KPKJPENVSA-N 0 1 506.298 5.972 40 10 KKCBMN COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000059136111 554382376 /nfs/dbraw/zinc/38/23/76/554382376.db2.gz DXGOYUDFAYWREN-LICLKQGHSA-N 0 1 514.937 5.877 40 10 KKCBMN Cc1c(Br)c(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccccc1 ZINC000103846696 571363470 /nfs/dbraw/zinc/36/34/70/571363470.db2.gz VEBQTMXGKJKRGG-XDHOZWIPSA-N 0 1 559.283 5.450 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 ZINC000103851209 571364761 /nfs/dbraw/zinc/36/47/61/571364761.db2.gz YECHRLXNMAMMNT-GZTJUZNOSA-N 0 1 529.362 5.138 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000103850941 571364776 /nfs/dbraw/zinc/36/47/76/571364776.db2.gz OXVIQTPUGQJITA-WOJGMQOQSA-N 0 1 545.419 5.942 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000103851147 571364872 /nfs/dbraw/zinc/36/48/72/571364872.db2.gz ICXSNJPQOMHFPU-YBEGLDIGSA-N 0 1 575.843 5.661 40 10 KKCBMN Cc1c(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c2ccccc2n1Cc1ccc(Br)cc1 ZINC000103851476 571364903 /nfs/dbraw/zinc/36/49/03/571364903.db2.gz 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40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1 ZINC000103855563 571366014 /nfs/dbraw/zinc/36/60/14/571366014.db2.gz XZUJUXPPKYHAQI-KOEQRZSOSA-N 0 1 525.605 5.644 40 10 KKCBMN Cc1ccc(-c2ccc(/C=C3/C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)o2)c(Br)c1 ZINC000103860188 571367426 /nfs/dbraw/zinc/36/74/26/571367426.db2.gz LJZRYOSSNJUREX-BOPFTXTBSA-N 0 1 546.240 5.611 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000103867763 571368057 /nfs/dbraw/zinc/36/80/57/571368057.db2.gz ZLIRXBQKXBNBCJ-MTDXEUNCSA-N 0 1 622.816 7.043 40 10 KKCBMN O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 ZINC000104406446 571380877 /nfs/dbraw/zinc/38/08/77/571380877.db2.gz CTIHJNHXNAKSNW-UHFFFAOYSA-N 0 1 531.033 5.965 40 10 KKCBMN Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)Nc4ccc(Cl)cc4C(=O)c4ccccc4)ccc32)cc1 ZINC000104406593 571380926 /nfs/dbraw/zinc/38/09/26/571380926.db2.gz KHMDJNFEVNJOKS-UHFFFAOYSA-N 0 1 545.060 6.273 40 10 KKCBMN 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559.343 5.433 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408871683 1070095779 /nfs/dbraw/zinc/09/57/79/1070095779.db2.gz ZYWPVHSUFQZVDC-NDENLUEZSA-N 0 1 571.880 5.912 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1Cc1ccccc1Br ZINC000408874509 1070101720 /nfs/dbraw/zinc/10/17/20/1070101720.db2.gz CUGSTIWDHRPWIS-STZFKDTASA-N 0 1 521.436 5.270 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(Cc2ccccc2Cl)c(Br)c1 ZINC000408875485 1070107421 /nfs/dbraw/zinc/10/74/21/1070107421.db2.gz JFFOOSVAVHNANU-UNOMPAQXSA-N 0 1 511.828 5.525 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1Cc1cc(C)cc(C)c1 ZINC000408877550 1070112823 /nfs/dbraw/zinc/11/28/23/1070112823.db2.gz VSFFRVCJFJOMNZ-XKZIYDEJSA-N 0 1 582.463 5.339 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1c(OCc2ccccc2Br)ccc2ccccc21 ZINC000408878611 1070115198 /nfs/dbraw/zinc/11/51/98/1070115198.db2.gz AYPMMZSJXBBTMQ-KQWNVCNZSA-N 0 1 543.442 6.013 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408991310 1070357810 /nfs/dbraw/zinc/35/78/10/1070357810.db2.gz NKCYVPUKTPVDMM-LZYBPNLTSA-N 0 1 705.639 7.591 40 10 KKCBMN CCc1ccccc1N1C(=O)/C(=C/c2ccc(OCc3ccc(I)cc3)cc2)C(=O)NC1=S ZINC000409002270 1070378608 /nfs/dbraw/zinc/37/86/08/1070378608.db2.gz SRWDPALMBDTXKL-PXLXIMEGSA-N 0 1 568.436 5.264 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Br)c(Cl)c4)o3)C(=O)NC2=S)cc1 ZINC000409012816 1070390451 /nfs/dbraw/zinc/39/04/51/1070390451.db2.gz LCDMTEPASYDGAH-LFIBNONCSA-N 0 1 517.788 5.202 40 10 KKCBMN Cc1cc(C)cc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C(=O)NC2=S)c1 ZINC000409020883 1070397727 /nfs/dbraw/zinc/39/77/27/1070397727.db2.gz VBONLDJKWPDJHU-WQRHYEAKSA-N 0 1 526.368 5.065 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000409102206 1070534798 /nfs/dbraw/zinc/53/47/98/1070534798.db2.gz VGVLFGCSXLZKDH-LICLKQGHSA-N 0 1 502.398 5.680 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccccc4Cl)c(OC)c3)C2=O)cc1OC ZINC000409124557 1070551946 /nfs/dbraw/zinc/55/19/46/1070551946.db2.gz KXZQQZJDZYEAQB-CIAFOILYSA-N 0 1 643.918 6.150 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OS(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1OC ZINC000409139781 1070563430 /nfs/dbraw/zinc/56/34/30/1070563430.db2.gz OPXDSRKUTKMGBW-PXLXIMEGSA-N 0 1 663.930 5.330 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4F)c(Cl)c3)C2=O)cc1OCC ZINC000409193309 1070611422 /nfs/dbraw/zinc/61/14/22/1070611422.db2.gz JBAXHRZKDJWLNO-HYARGMPZSA-N 0 1 567.013 5.908 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)cc(Br)c3OS(=O)(=O)c3ccccc3)C2=O)cc1OCC ZINC000409190036 1070621695 /nfs/dbraw/zinc/62/16/95/1070621695.db2.gz VBHUCVWLVHIBDM-PXLXIMEGSA-N 0 1 722.408 5.829 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000409231682 1070657765 /nfs/dbraw/zinc/65/77/65/1070657765.db2.gz FJVRKLSWGIPTHA-LDADJPATSA-N 0 1 528.859 5.650 40 10 KKCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000409244960 1070662855 /nfs/dbraw/zinc/66/28/55/1070662855.db2.gz LFUZFMRATPETPO-GZTJUZNOSA-N 0 1 508.930 5.934 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccccc1Br ZINC000408879952 1070790645 /nfs/dbraw/zinc/79/06/45/1070790645.db2.gz HZVSRSSNKRBZPX-ZHZULCJRSA-N 0 1 537.435 5.258 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408879051 1070796430 /nfs/dbraw/zinc/79/64/30/1070796430.db2.gz AKMBDMBAZWHHEF-IWIPYMOSSA-N 0 1 587.495 6.411 40 10 KKCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Br)cc2Br)c(Br)c1 ZINC000409399615 1070913998 /nfs/dbraw/zinc/91/39/98/1070913998.db2.gz KUFHWWGKXKTXFX-ZDLGFXPLSA-N 0 1 607.096 6.015 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1ccc(Br)cc1 ZINC000408917197 1070993032 /nfs/dbraw/zinc/99/30/32/1070993032.db2.gz OPPWTMSXRQRVPR-JAIQZWGSSA-N 0 1 634.321 6.160 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408695753 1071383099 /nfs/dbraw/zinc/38/30/99/1071383099.db2.gz YGPYCBIFNFYNRK-RQZCQDPDSA-N 0 1 629.278 5.980 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408695555 1071383489 /nfs/dbraw/zinc/38/34/89/1071383489.db2.gz WDYHMLBDYNXURS-YBFXNURJSA-N 0 1 594.833 5.327 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(Br)cc1OCc1ccc(C)cc1 ZINC000408695580 1071383673 /nfs/dbraw/zinc/38/36/73/1071383673.db2.gz WLIWHUMJQOMVIP-UDWIEESQSA-N 0 1 527.415 5.140 40 10 KKCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000408695480 1071384544 /nfs/dbraw/zinc/38/45/44/1071384544.db2.gz VOQLEOZSMBYIKN-XDHOZWIPSA-N 0 1 503.780 5.086 40 10 KKCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccc3ccccc3c2)c(Br)c1 ZINC000408692721 1071394085 /nfs/dbraw/zinc/39/40/85/1071394085.db2.gz SWXUMYAOLAUOPP-HYARGMPZSA-N 0 1 519.395 5.586 40 10 KKCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccc(I)cc2)c(Br)c1 ZINC000408692506 1071394838 /nfs/dbraw/zinc/39/48/38/1071394838.db2.gz OAGAOZNGLBYGNS-WOJGMQOQSA-N 0 1 595.231 5.037 40 10 KKCBMN CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)NC(=O)N(C4CCCC4)C3=O)c2-c2ccccc2)cc1 ZINC000408692362 1071395640 /nfs/dbraw/zinc/39/56/40/1071395640.db2.gz KUNAGJUXNMUZTN-ANYBSYGZSA-N 0 1 573.649 6.392 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1cccc(Cl)c1C ZINC000408965041 1071414761 /nfs/dbraw/zinc/41/47/61/1071414761.db2.gz FZCGEIOSVTVEDA-LICLKQGHSA-N 0 1 502.398 5.680 40 10 KKCBMN CSc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1C(=O)N1CCC(C)CC1 ZINC000408714530 1071475260 /nfs/dbraw/zinc/47/52/60/1071475260.db2.gz AXQCANFZRSLKEU-UHFFFAOYSA-N 0 1 543.110 5.966 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408723670 1071527571 /nfs/dbraw/zinc/52/75/71/1071527571.db2.gz ZLPFOQJZQVKHKC-LZYBPNLTSA-N 0 1 680.820 5.393 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408723629 1071527766 /nfs/dbraw/zinc/52/77/66/1071527766.db2.gz YJGFLBRCBZHSCK-FRKPEAEDSA-N 0 1 680.820 5.393 40 10 KKCBMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(/N=N/c4ccccc4)cc3O)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408736294 1071556613 /nfs/dbraw/zinc/55/66/13/1071556613.db2.gz PIKCQTQFRUDIIT-HWNCECLZSA-N 0 1 566.683 6.043 40 10 KKCBMN O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc2nc(Sc3ccc(/C=C4\C(=O)NC(=S)N(c5ccccc5)C4=O)cc3[N+](=O)[O-])sc2c1 ZINC000408993844 1071562684 /nfs/dbraw/zinc/56/26/84/1071562684.db2.gz XFQPYCOIPQQBCX-SMCFQVJDSA-N 0 1 669.766 5.867 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)[C@@H]7CCCC[C@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1C ZINC000408993848 1071562813 /nfs/dbraw/zinc/56/28/13/1071562813.db2.gz XFVWSIMAUAFCQX-KDYRRFBVSA-N 0 1 697.820 6.483 40 10 KKCBMN Cc1cccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)c7ccccc7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)c1 ZINC000408993012 1071568962 /nfs/dbraw/zinc/56/89/62/1071568962.db2.gz UORSTDHZEFSVDI-OEAKJJBVSA-N 0 1 677.745 6.296 40 10 KKCBMN CCOc1ccc2nc(Sc3ccc(/C=C4/C(=O)NC(=S)N(c5ccc(C)c(C)c5)C4=O)cc3[N+](=O)[O-])sc2c1 ZINC000408989938 1071594312 /nfs/dbraw/zinc/59/43/12/1071594312.db2.gz JLPKLPSDILMKEE-UDWIEESQSA-N 0 1 590.708 6.203 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000408739819 1071601522 /nfs/dbraw/zinc/60/15/22/1071601522.db2.gz ASSHHBRLGVGPQV-JAIQZWGSSA-N 0 1 620.310 5.601 40 10 KKCBMN CCOc1cccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)C(=O)NC2=S)c1 ZINC000408739817 1071601562 /nfs/dbraw/zinc/60/15/62/1071601562.db2.gz ASPINDRSDXDNSL-COEJQBHMSA-N 0 1 614.683 6.950 40 10 KKCBMN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3)cc2)C(=O)NC1=S ZINC000408739810 1071601577 /nfs/dbraw/zinc/60/15/77/1071601577.db2.gz ARMBZQGARSBETA-FYJGNVAPSA-N 0 1 586.305 5.930 40 10 KKCBMN Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(/C=C5/C(=O)NC(=S)N(c6ccccc6)C5=O)cc4[N+](=O)[O-])sc3c2)cc1 ZINC000408987960 1071608328 /nfs/dbraw/zinc/60/83/28/1071608328.db2.gz CEZKWIJXGZIDNM-HZHRSRAPSA-N 0 1 651.751 6.748 40 10 KKCBMN CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4)C3=O)c2-c2ccccc2)cc1 ZINC000408744507 1071616185 /nfs/dbraw/zinc/61/61/85/1071616185.db2.gz YHDIKEQUUHJXCU-TWKHWXDSSA-N 0 1 604.131 7.695 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408744036 1071616697 /nfs/dbraw/zinc/61/66/97/1071616697.db2.gz YHVNTCHDZZNXNT-FYJGNVAPSA-N 0 1 596.459 5.475 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000408743765 1071617914 /nfs/dbraw/zinc/61/79/14/1071617914.db2.gz YABYZWNJAUOBEZ-YBFXNURJSA-N 0 1 582.432 5.085 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000408741721 1071623808 /nfs/dbraw/zinc/62/38/08/1071623808.db2.gz NLBIWYIIIOJGGO-YBEGLDIGSA-N 0 1 577.210 5.211 40 10 KKCBMN CCOc1cccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(I)c(C)c4)c3C)C(=O)NC2=S)c1 ZINC000408741423 1071625673 /nfs/dbraw/zinc/62/56/73/1071625673.db2.gz LXDVGDJXWZBZDS-XKZIYDEJSA-N 0 1 585.467 5.237 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408740907 1071628971 /nfs/dbraw/zinc/62/89/71/1071628971.db2.gz JBFCPLQEQRIPEW-QGMBQPNBSA-N 0 1 685.221 7.246 40 10 KKCBMN CCOc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)C(=O)NC2=S)c1 ZINC000408740342 1071630166 /nfs/dbraw/zinc/63/01/66/1071630166.db2.gz FQCZGHQWWGOLBD-SRZZPIQSSA-N 0 1 557.455 5.811 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccccc4)c(Br)c3)C(=O)NC2=S)cc1 ZINC000408740385 1071630303 /nfs/dbraw/zinc/63/03/03/1071630303.db2.gz FYWCHNURWVDHHD-YBFXNURJSA-N 0 1 586.305 5.930 40 10 KKCBMN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cc(I)c(OCc3ccccc3)c(I)c2)C(=O)NC1=S ZINC000408740167 1071632033 /nfs/dbraw/zinc/63/20/33/1071632033.db2.gz DRBSPRZVTQIPRI-VCHYOVAHSA-N 0 1 759.201 6.377 40 10 KKCBMN CCOc1cccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccccc4Cl)c(OC)c3)C(=O)NC2=S)c1 ZINC000408739987 1071632599 /nfs/dbraw/zinc/63/25/99/1071632599.db2.gz HIFCYJTWJFFCKR-RGVLZGJSSA-N 0 1 648.906 5.762 40 10 KKCBMN Cc1cc(Br)ccc1N1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)NC1=S ZINC000408740000 1071632740 /nfs/dbraw/zinc/63/27/40/1071632740.db2.gz CIVCBYOXGKOXPR-BOPFTXTBSA-N 0 1 546.240 5.611 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000409016746 1071665983 /nfs/dbraw/zinc/66/59/83/1071665983.db2.gz IFBVDAXAFGCFDO-CVKSISIWSA-N 0 1 560.050 6.297 40 10 KKCBMN O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000409014897 1071674584 /nfs/dbraw/zinc/67/45/84/1071674584.db2.gz MBUSSDDVKMQALJ-RGVLZGJSSA-N 0 1 524.404 5.967 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccccc4)c3-c3ccccc3)C(=O)NC2=S)cc1 ZINC000409009150 1071696724 /nfs/dbraw/zinc/69/67/24/1071696724.db2.gz BSIHZYVNKNLLSY-ANYBSYGZSA-N 0 1 555.659 6.651 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C\c3c(OC(=O)c4cccc5ccccc54)ccc4ccccc43)C(=O)NC2=S)cc1 ZINC000408759067 1071702448 /nfs/dbraw/zinc/70/24/48/1071702448.db2.gz XGHZAGFJKZGRJH-USHMODERSA-N 0 1 558.615 6.052 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1cccc(Cl)c1 ZINC000408758532 1071705016 /nfs/dbraw/zinc/70/50/16/1071705016.db2.gz LXJQSCXMQIRGMP-KEBDBYFISA-N 0 1 514.832 5.341 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408766824 1071717787 /nfs/dbraw/zinc/71/77/87/1071717787.db2.gz HEZZVXNKSDOKQV-GZTJUZNOSA-N 0 1 639.298 6.017 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409018184 1071733135 /nfs/dbraw/zinc/73/31/35/1071733135.db2.gz YENUURDHDXOIQD-RWPZCVJISA-N 0 1 604.559 7.428 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4cccc5ccccc54)c(OC)c3)C(=O)NC2=S)cc1 ZINC000408762683 1071734658 /nfs/dbraw/zinc/73/46/58/1071734658.db2.gz QCYMFHBFNZBEEA-OYKKKHCWSA-N 0 1 603.494 6.030 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408774039 1071764632 /nfs/dbraw/zinc/76/46/32/1071764632.db2.gz NYUFGLJFPUBWJJ-MUFRIFMGSA-N 0 1 549.740 6.702 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408773192 1071768876 /nfs/dbraw/zinc/76/88/76/1071768876.db2.gz PVQSZUWPJGEAKZ-MFKUBSTISA-N 0 1 597.609 5.843 40 10 KKCBMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(/N=N/c4ccccc4)cc3O)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408770207 1071788139 /nfs/dbraw/zinc/78/81/39/1071788139.db2.gz URLOGFLSVSXMAQ-STSIUMOZSA-N 0 1 663.550 5.699 40 10 KKCBMN CCOc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4)c3C)C(=O)NC2=S)c1 ZINC000408781038 1071821280 /nfs/dbraw/zinc/82/12/80/1071821280.db2.gz QKGHUNWNRHYPMQ-CVKSISIWSA-N 0 1 627.635 5.933 40 10 KKCBMN CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4)c3-c3ccccc3)C(=O)NC2=S)cc1 ZINC000408780808 1071821968 /nfs/dbraw/zinc/82/19/68/1071821968.db2.gz LDVBKQIMYDHFQJ-LGUFXXKBSA-N 0 1 507.615 5.683 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000408779810 1071827739 /nfs/dbraw/zinc/82/77/39/1071827739.db2.gz LBOMYAQNZRZOEP-FYJGNVAPSA-N 0 1 508.441 5.305 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000408778982 1071834097 /nfs/dbraw/zinc/83/40/97/1071834097.db2.gz ODYRCCLDZDHWSV-MDWZMJQESA-N 0 1 616.788 7.197 40 10 KKCBMN CCc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)C(=O)NC1=S ZINC000408778045 1071839431 /nfs/dbraw/zinc/83/94/31/1071839431.db2.gz PGYCZEMQFMEZLI-KGENOOAVSA-N 0 1 508.441 5.250 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c(-c2ccccc2)n1-c1ccccc1 ZINC000408786551 1071849868 /nfs/dbraw/zinc/84/98/68/1071849868.db2.gz KLJDOLVZMZPOTM-JJIBRWJFSA-N 0 1 556.485 6.355 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408785129 1071860065 /nfs/dbraw/zinc/86/00/65/1071860065.db2.gz XYISVEJAHPNJES-FYJGNVAPSA-N 0 1 526.489 6.530 40 10 KKCBMN Cc1ccccc1N1C(=O)/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)C(=O)NC1=S ZINC000408782993 1071872983 /nfs/dbraw/zinc/87/29/83/1071872983.db2.gz LRYNSZVUNNTOKQ-MHWRWJLKSA-N 0 1 561.925 6.199 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1cn(CCSc2ccc(Cl)cc2)c2ccccc12 ZINC000408791210 1071891667 /nfs/dbraw/zinc/89/16/67/1071891667.db2.gz XEILPUYIMVRGAR-OEAKJJBVSA-N 0 1 596.959 6.681 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1C ZINC000409073062 1072077089 /nfs/dbraw/zinc/07/70/89/1072077089.db2.gz XAUMLFMQPJPOON-XDHOZWIPSA-N 0 1 508.987 5.104 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000409096929 1072230980 /nfs/dbraw/zinc/23/09/80/1072230980.db2.gz LORBEEHWIOJFTJ-PXLXIMEGSA-N 0 1 506.071 6.185 40 10 KKCBMN CCCCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(NC(=O)c4cccs4)C3=O)o2)cc1 ZINC000409335410 1072340346 /nfs/dbraw/zinc/34/03/46/1072340346.db2.gz ZRGPIEGWELXLIA-XSFVSMFZSA-N 0 1 512.634 5.511 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C\c3cc(I)c(O)c(I)c3)SC2=S)cc1Cl ZINC000409330777 1072374159 /nfs/dbraw/zinc/37/41/59/1072374159.db2.gz MPSIBACBVNDPJD-MKMNVTDBSA-N 0 1 629.666 5.669 40 10 KKCBMN O=C1/C(=C/c2cc(I)c(O)c(I)c2)SC(=S)N1c1cccc(Cl)c1 ZINC000409329334 1072385402 /nfs/dbraw/zinc/38/54/02/1072385402.db2.gz DVPUQRPHLNPIMU-MLPAPPSSSA-N 0 1 599.640 5.661 40 10 KKCBMN O=C1/C(=C/c2cc(I)c(O)c(I)c2)SC(=S)N1c1cccc(F)c1 ZINC000409328931 1072388976 /nfs/dbraw/zinc/38/89/76/1072388976.db2.gz AQQVLHCSDDTCFH-MLPAPPSSSA-N 0 1 583.185 5.146 40 10 KKCBMN O=C(NN1C(=O)/C(=C\c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC1=S)c1cccs1 ZINC000409327726 1072398316 /nfs/dbraw/zinc/39/83/16/1072398316.db2.gz LWRCKOFUTVMBJG-GIJQJNRQSA-N 0 1 630.445 6.776 40 10 KKCBMN Cc1cccc(N2C(=O)/C(=C/c3cn(Cc4cccc5ccccc54)c4ccccc34)C(=O)NC2=S)c1C ZINC000409122602 1072421029 /nfs/dbraw/zinc/42/10/29/1072421029.db2.gz ACYIHFRBRFKTLE-WPWMEQJKSA-N 0 1 515.638 6.291 40 10 KKCBMN O=C1/C(=C/c2cc(I)c(O)c(I)c2)SC(=S)N1c1cccc2ccccc21 ZINC000409344738 1072430665 /nfs/dbraw/zinc/43/06/65/1072430665.db2.gz IFMBELHDRKMSQR-YVLHZVERSA-N 0 1 615.255 6.160 40 10 KKCBMN COc1ccccc1N1C(=O)/C(=C\c2cc(I)c(O)c(I)c2)SC1=S ZINC000409343644 1072438461 /nfs/dbraw/zinc/43/84/61/1072438461.db2.gz HZANIKXLAGTRBY-RIYZIHGNSA-N 0 1 595.221 5.016 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4Cl)c(Cl)c3)C2=O)cc1OC ZINC000409127250 1072447215 /nfs/dbraw/zinc/44/72/15/1072447215.db2.gz GYOJQHKGHOSJBJ-FYJGNVAPSA-N 0 1 569.441 6.032 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc(Br)cc4)c(Cl)c3)C2=O)cc1OC ZINC000409127193 1072448164 /nfs/dbraw/zinc/44/81/64/1072448164.db2.gz IRBKLDJUAAVFPA-SRZZPIQSSA-N 0 1 648.337 6.794 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4cccc(F)c4)c(OCC)c3)C2=O)cc1OC ZINC000409124290 1072467959 /nfs/dbraw/zinc/46/79/59/1072467959.db2.gz BBCIFDNRUOSSQL-YDZHTSKRSA-N 0 1 688.490 5.867 40 10 KKCBMN COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc(I)c1OCc1ccccc1 ZINC000409339962 1072469634 /nfs/dbraw/zinc/46/96/34/1072469634.db2.gz NNJBXBPROUNLRU-XDHOZWIPSA-N 0 1 608.504 5.487 40 10 KKCBMN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409339834 1072471304 /nfs/dbraw/zinc/47/13/04/1072471304.db2.gz ZGKMRVGHKJTBGF-FYJGNVAPSA-N 0 1 541.632 5.180 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(C)cc3)C2=O)cc1OC ZINC000409136684 1072477428 /nfs/dbraw/zinc/47/74/28/1072477428.db2.gz YKUXYBRZSQWKJJ-LFVJCYFKSA-N 0 1 549.023 5.687 40 10 KKCBMN COc1cccc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)c1OCc1ccc(Cl)cc1 ZINC000409338509 1072483669 /nfs/dbraw/zinc/48/36/69/1072483669.db2.gz LDKNBFLYJWDZLK-XDHOZWIPSA-N 0 1 517.053 5.535 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C/c3cc(I)c(O)c(I)c3)SC2=S)cc1 ZINC000409338389 1072485679 /nfs/dbraw/zinc/48/56/79/1072485679.db2.gz JAIWHBRUUAOMJU-ZSOIEALJSA-N 0 1 595.221 5.016 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccccc4F)c(OCC)c3)C2=O)cc1OC ZINC000409135228 1072487800 /nfs/dbraw/zinc/48/78/00/1072487800.db2.gz VVBVDSJTICETAP-LPYMAVHISA-N 0 1 597.039 5.916 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Br)cc(Br)c3OCc3ccc(Cl)cc3)C2=O)cc1OC ZINC000409134549 1072491010 /nfs/dbraw/zinc/49/10/10/1072491010.db2.gz WCTMTLJWEJQZDS-LPYMAVHISA-N 0 1 692.788 6.903 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OS(=O)(=O)c4ccccc4)c(Cl)c3)C2=O)cc1OC ZINC000409131784 1072507130 /nfs/dbraw/zinc/50/71/30/1072507130.db2.gz JKIPTOUDDJEIRZ-UDWIEESQSA-N 0 1 619.479 5.221 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3)C2=O)cc1OC ZINC000409129868 1072516964 /nfs/dbraw/zinc/51/69/64/1072516964.db2.gz MMAAHHSHTNKRMT-XQNSMLJCSA-N 0 1 534.996 5.378 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Br)cc(Br)c3OCc3cccc(F)c3)C2=O)cc1OC ZINC000409129931 1072517384 /nfs/dbraw/zinc/51/73/84/1072517384.db2.gz LJKHGIZOABEAOK-LPYMAVHISA-N 0 1 676.333 6.389 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccccc4Cl)c(OCC)c3)C2=O)cc1OC ZINC000409128611 1072524743 /nfs/dbraw/zinc/52/47/43/1072524743.db2.gz SLHDIQJDVQUQOH-LPYMAVHISA-N 0 1 657.945 6.540 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1 ZINC000409128103 1072528261 /nfs/dbraw/zinc/52/82/61/1072528261.db2.gz DPYOQCAPFGNSOV-MTDXEUNCSA-N 0 1 535.669 6.121 40 10 KKCBMN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409351551 1072534222 /nfs/dbraw/zinc/53/42/22/1072534222.db2.gz UWGLDTHOWKHJIB-HMAPJEAMSA-N 0 1 553.687 5.019 40 10 KKCBMN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1Oc1nc(Cl)ncc1F ZINC000409351197 1072536402 /nfs/dbraw/zinc/53/64/02/1072536402.db2.gz ZDKRDNKYGVGBSS-CXUHLZMHSA-N 0 1 537.019 5.068 40 10 KKCBMN O=C(NN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC1=S)c1cccs1 ZINC000409350057 1072545329 /nfs/dbraw/zinc/54/53/29/1072545329.db2.gz WZWDHTKWKLEWMB-DJKKODMXSA-N 0 1 600.368 6.943 40 10 KKCBMN CCN(CC)c1ccc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409349783 1072547075 /nfs/dbraw/zinc/54/70/75/1072547075.db2.gz QVPLHUPYOHPTSE-YDZHTSKRSA-N 0 1 611.727 5.066 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4)c(Br)c3)C2=O)cc1OC ZINC000409142244 1072549603 /nfs/dbraw/zinc/54/96/03/1072549603.db2.gz XBBSVKBDKDRBIL-HYARGMPZSA-N 0 1 579.447 5.488 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000409139915 1072562895 /nfs/dbraw/zinc/56/28/95/1072562895.db2.gz PEGWHCLAIUWDQS-WPWMEQJKSA-N 0 1 570.114 6.775 40 10 KKCBMN O=C(NN1C(=O)/C(=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC1=S)c1cccs1 ZINC000409347627 1072562885 /nfs/dbraw/zinc/56/28/85/1072562885.db2.gz QNCZNDUOMQAYPM-QGMBQPNBSA-N 0 1 679.264 7.705 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(Cl)c4)c(Cl)c3)C2=O)cc1OC ZINC000409139523 1072564364 /nfs/dbraw/zinc/56/43/64/1072564364.db2.gz BERPESHLZCHSCW-LPYMAVHISA-N 0 1 569.441 6.032 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccccc4)c3-c3ccccc3)C(=O)NC2=S)c(C)c1 ZINC000409137818 1072573953 /nfs/dbraw/zinc/57/39/53/1072573953.db2.gz WQYMYRWWBSYOKN-ANYBSYGZSA-N 0 1 553.687 7.259 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000409137329 1072575830 /nfs/dbraw/zinc/57/58/30/1072575830.db2.gz VRHAIXGNUPIQPJ-YBFXNURJSA-N 0 1 542.886 5.958 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4cccc(F)c4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409376196 1072630107 /nfs/dbraw/zinc/63/01/07/1072630107.db2.gz VSKIGMMTVAJOIL-CIAFOILYSA-N 0 1 569.452 5.570 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)Nc4ccc(Cl)cc4)c4ccccc34)C(=O)NC2=S)cc1 ZINC000409375383 1072632741 /nfs/dbraw/zinc/63/27/41/1072632741.db2.gz KBDMGIFSNWBWTQ-BUVRLJJBSA-N 0 1 543.048 5.327 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409375047 1072633902 /nfs/dbraw/zinc/63/39/02/1072633902.db2.gz DTBBYDADPJFWAF-RGVLZGJSSA-N 0 1 634.379 7.127 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409374293 1072638084 /nfs/dbraw/zinc/63/80/84/1072638084.db2.gz LOSYRMBOTJTYKJ-QGMBQPNBSA-N 0 1 641.245 5.831 40 10 KKCBMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000409374140 1072639323 /nfs/dbraw/zinc/63/93/23/1072639323.db2.gz YXBSYVLTZUACNP-DIBXZPPDSA-N 0 1 513.553 6.066 40 10 KKCBMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000409373022 1072643502 /nfs/dbraw/zinc/64/35/02/1072643502.db2.gz PLEYOLXKUQKHID-CAOOACKPSA-N 0 1 550.192 5.590 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4cccc5ccccc54)c(Cl)c3)C2=O)cc1OC ZINC000409147998 1072644853 /nfs/dbraw/zinc/64/48/53/1072644853.db2.gz XOVQMXKMZDDALC-AFUMVMLFSA-N 0 1 619.501 7.185 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)C(=O)NC2=S)cc1 ZINC000409372250 1072645967 /nfs/dbraw/zinc/64/59/67/1072645967.db2.gz YKDACEZUPJIGCN-YDZHTSKRSA-N 0 1 534.468 6.390 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4cccc(Cl)c4)c(OCC)c3)C2=O)cc1OC ZINC000409147722 1072647504 /nfs/dbraw/zinc/64/75/04/1072647504.db2.gz VVSIAFQPMBJPDL-YDZHTSKRSA-N 0 1 613.494 6.431 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCc4ccc(F)cc4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409371585 1072649126 /nfs/dbraw/zinc/64/91/26/1072649126.db2.gz XISBDRIQJUWTIC-CIAFOILYSA-N 0 1 525.001 5.460 40 10 KKCBMN O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(Cc2ccccc2Cl)c2ccc(Br)cc12 ZINC000409147480 1072650041 /nfs/dbraw/zinc/65/00/41/1072650041.db2.gz YIKIBXMMFINLTJ-WSDLNYQXSA-N 0 1 548.824 5.768 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)C(=O)NC2=S)cc1 ZINC000409369720 1072657969 /nfs/dbraw/zinc/65/79/69/1072657969.db2.gz FGOIUONPTGXWQS-FYJGNVAPSA-N 0 1 511.430 5.966 40 10 KKCBMN Cc1cc(C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000409368678 1072664299 /nfs/dbraw/zinc/66/42/99/1072664299.db2.gz HMTDJZRQNILEKT-UHFFFAOYSA-N 0 1 650.739 8.658 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCc4ccc(Cl)cc4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409378694 1072674110 /nfs/dbraw/zinc/67/41/10/1072674110.db2.gz RQGLVEATURLZJR-CIAFOILYSA-N 0 1 541.456 5.975 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCc1cccc2ccccc21 ZINC000409378624 1072675675 /nfs/dbraw/zinc/67/56/75/1072675675.db2.gz QNPGPXXPICGXMQ-WGOQTCKBSA-N 0 1 615.549 6.974 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3cccc4ccccc43)C(=O)NC2=S)cc1 ZINC000409378441 1072676322 /nfs/dbraw/zinc/67/63/22/1072676322.db2.gz PFVBBRBEWSNRIQ-YZSQISJMSA-N 0 1 571.496 6.575 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409377498 1072679534 /nfs/dbraw/zinc/67/95/34/1072679534.db2.gz IUKSCMUCOBTIPF-SRZZPIQSSA-N 0 1 681.379 6.969 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OCc4cccc([N+](=O)[O-])c4)cc3Br)C(=O)NC2=S)cc1 ZINC000409386425 1072686631 /nfs/dbraw/zinc/68/66/31/1072686631.db2.gz NKVYQWIVSWYHBA-CIAFOILYSA-N 0 1 596.459 5.339 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccccc4)c3-c3ccccc3)C(=O)NC2=S)cc1 ZINC000409386209 1072689190 /nfs/dbraw/zinc/68/91/90/1072689190.db2.gz LQMOIOWOXUWUHA-SWKFRHMKSA-N 0 1 553.687 7.205 40 10 KKCBMN CC[C@@H](C)Oc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OC ZINC000409385788 1072692094 /nfs/dbraw/zinc/69/20/94/1072692094.db2.gz KHERTJZMHYUISB-KAQJVSAMSA-N 0 1 513.830 5.664 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccc(F)cc4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409384558 1072697973 /nfs/dbraw/zinc/69/79/73/1072697973.db2.gz DAUOWYAJANCEPZ-CIAFOILYSA-N 0 1 569.452 5.570 40 10 KKCBMN CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)NC(=S)N(c4ccccc4OC)C3=O)c2-c2ccccc2)cc1 ZINC000409166450 1072704509 /nfs/dbraw/zinc/70/45/09/1072704509.db2.gz FYDKHIGOSRCACW-IADYIPOJSA-N 0 1 627.722 6.828 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc5ccccc5c4)c(Br)c3)C(=O)NC2=S)cc1 ZINC000409381418 1072711154 /nfs/dbraw/zinc/71/11/54/1072711154.db2.gz MBZJJEUVRSDNPQ-PCLIKHOPSA-N 0 1 571.496 6.575 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccc(I)cc1 ZINC000409381073 1072714491 /nfs/dbraw/zinc/71/44/91/1072714491.db2.gz RNTJDBWTUQFCNR-LPYMAVHISA-N 0 1 691.385 6.425 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Br)cc4)cc3)C(=O)NC2=S)cc1 ZINC000409380716 1072716041 /nfs/dbraw/zinc/71/60/41/1072716041.db2.gz BRHHBVJMUXSJKF-HZHRSRAPSA-N 0 1 521.436 5.422 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000409379945 1072721375 /nfs/dbraw/zinc/72/13/75/1072721375.db2.gz CWHGQOBGGKJAEI-LPYMAVHISA-N 0 1 599.934 6.474 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCc4ccccc4F)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409388251 1072739496 /nfs/dbraw/zinc/73/94/96/1072739496.db2.gz TVNZUAUGQOBTID-UDWIEESQSA-N 0 1 525.001 5.460 40 10 KKCBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCc1ccc(Br)cc1Br ZINC000409398386 1072752972 /nfs/dbraw/zinc/75/29/72/1072752972.db2.gz AGCLAKWTGASROF-GRSHGNNSSA-N 0 1 588.252 5.269 40 10 KKCBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCc1ccccc1Cl ZINC000409407124 1072754334 /nfs/dbraw/zinc/75/43/34/1072754334.db2.gz KXKFJRHWKCOBID-WQRHYEAKSA-N 0 1 513.775 5.152 40 10 KKCBMN COc1cc(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc(Br)cc1 ZINC000409407210 1072754862 /nfs/dbraw/zinc/75/48/62/1072754862.db2.gz LTZMSMCTNUHHEC-NDENLUEZSA-N 0 1 513.775 5.152 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Br)cc4Br)cc3)C(=O)NC2=S)cc1 ZINC000409186622 1072761769 /nfs/dbraw/zinc/76/17/69/1072761769.db2.gz FQRILFNYVSBFIT-LPYMAVHISA-N 0 1 600.332 6.184 40 10 KKCBMN C=C/C=C\C(=C/C)N1C(=O)C(=Cc2c(C)[nH]n(-c3ccccc3)c2=O)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186156 1072764102 /nfs/dbraw/zinc/76/41/02/1072764102.db2.gz XUBXPUQVWSSRGF-OWCUVECOSA-N 0 1 643.769 5.962 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCc1ccc(F)cc1 ZINC000409403574 1072770638 /nfs/dbraw/zinc/77/06/38/1072770638.db2.gz ACECFLYEBYKPIX-NDENLUEZSA-N 0 1 511.347 5.027 40 10 KKCBMN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)cc(Br)c2O)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185176 1072773194 /nfs/dbraw/zinc/77/31/94/1072773194.db2.gz KBMXTOHSAFDZER-VRKORRMZSA-N 0 1 721.471 7.310 40 10 KKCBMN COc1cc(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409408929 1072813183 /nfs/dbraw/zinc/81/31/83/1072813183.db2.gz SDHSUWLFWQSHOE-WQRHYEAKSA-N 0 1 503.769 5.696 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCc3ccccc3F)C2=O)cc1OCC ZINC000409195958 1072834377 /nfs/dbraw/zinc/83/43/77/1072834377.db2.gz XJMXPYYSTNQJJD-XQNSMLJCSA-N 0 1 611.464 6.017 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4cccc(Cl)c4)c(OCC)c3)C2=O)cc1OCC ZINC000409195661 1072836324 /nfs/dbraw/zinc/83/63/24/1072836324.db2.gz UXBFNFPPYBHAAN-ZVHZXABRSA-N 0 1 718.972 6.772 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc(C)cc4)c(Cl)c3)C2=O)cc1OCC ZINC000409194538 1072841625 /nfs/dbraw/zinc/84/16/25/1072841625.db2.gz OWBKLWBQTZHRDJ-YDZHTSKRSA-N 0 1 597.495 6.730 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(F)c4)c(OCC)c3)C2=O)cc1OCC ZINC000409192583 1072855094 /nfs/dbraw/zinc/85/50/94/1072855094.db2.gz FEVUUEQJWZSANO-PCLIKHOPSA-N 0 1 576.621 5.653 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc5ccccc54)c(Br)c3)C2=O)cc1OCC ZINC000409191480 1072861561 /nfs/dbraw/zinc/86/15/61/1072861561.db2.gz IKCOVWFRBWTMQE-WPWMEQJKSA-N 0 1 643.534 7.031 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc5ccccc54)cc3)C2=O)cc1OCC ZINC000409191329 1072862501 /nfs/dbraw/zinc/86/25/01/1072862501.db2.gz VRTGTWXKAHQAAB-VUTHCHCSSA-N 0 1 564.638 6.268 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4Cl)c(Br)c3)C2=O)cc1OCC ZINC000409191157 1072865226 /nfs/dbraw/zinc/86/52/26/1072865226.db2.gz TXZISTAUMUEWEJ-HYARGMPZSA-N 0 1 627.919 6.531 40 10 KKCBMN CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)c2C)cc1 ZINC000409190834 1072867631 /nfs/dbraw/zinc/86/76/31/1072867631.db2.gz WRROORALACTOOD-UDWIEESQSA-N 0 1 514.434 5.631 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409190673 1072868124 /nfs/dbraw/zinc/86/81/24/1072868124.db2.gz PHLJRIAYIKJKEZ-KOEQRZSOSA-N 0 1 622.696 5.011 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4cccc5ccccc54)c(Br)c3)C2=O)cc1OCC ZINC000409190320 1072869435 /nfs/dbraw/zinc/86/94/35/1072869435.db2.gz WSXQXZMBGHDVTD-CVKSISIWSA-N 0 1 722.430 7.793 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Cl)cc(Cl)c3OCc3ccccc3)C2=O)cc1OCC ZINC000409190164 1072870968 /nfs/dbraw/zinc/87/09/68/1072870968.db2.gz LTNHWHPQARNCMR-HZHRSRAPSA-N 0 1 583.468 6.422 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCc3ccc(Cl)cc3Cl)C2=O)cc1OCC ZINC000409189572 1072874448 /nfs/dbraw/zinc/87/44/48/1072874448.db2.gz QQIWWUPJENFCQB-OEAKJJBVSA-N 0 1 662.364 7.184 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccccc4Cl)c(OCC)c3)C2=O)cc1OCC ZINC000409189426 1072875490 /nfs/dbraw/zinc/87/54/90/1072875490.db2.gz GLTQVRCEJGBSAF-OEAKJJBVSA-N 0 1 671.972 6.930 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCCC)c(OCC)c3)C2=O)cc1OCC ZINC000409189541 1072876334 /nfs/dbraw/zinc/87/63/34/1072876334.db2.gz HRKYSUKZWZAEMI-DEDYPNTBSA-N 0 1 636.483 5.328 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4ccc(F)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409189256 1072878448 /nfs/dbraw/zinc/87/84/48/1072878448.db2.gz NZYZIFWVCNNYRH-ZVHZXABRSA-N 0 1 702.517 6.258 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OC)c(Br)c3)C2=O)cc1OCC ZINC000409189260 1072878508 /nfs/dbraw/zinc/87/85/08/1072878508.db2.gz OAZJYZLMGWYCLY-CXUHLZMHSA-N 0 1 596.272 5.070 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Cl)cc(Cl)c3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC ZINC000409188915 1072880053 /nfs/dbraw/zinc/88/00/53/1072880053.db2.gz KLIUJTUVSRZEMW-OEAKJJBVSA-N 0 1 628.465 6.330 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)cc(Cl)c3OS(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1OCC ZINC000409188957 1072880619 /nfs/dbraw/zinc/88/06/19/1072880619.db2.gz LLPFWEZAWIREEX-HYARGMPZSA-N 0 1 667.951 6.264 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(Cl)c4)c(OC)c3)C2=O)cc1OCC ZINC000409188608 1072881608 /nfs/dbraw/zinc/88/16/08/1072881608.db2.gz FLQNKROOWCOUIL-BUVRLJJBSA-N 0 1 579.049 5.777 40 10 KKCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000409226330 1072975110 /nfs/dbraw/zinc/97/51/10/1072975110.db2.gz NACBJQYJMQRXAQ-WSDLNYQXSA-N 0 1 523.511 5.679 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000409223278 1072989226 /nfs/dbraw/zinc/98/92/26/1072989226.db2.gz FCBPJJJLVFQZOC-GIJQJNRQSA-N 0 1 502.398 5.680 40 10 KKCBMN Cc1cccc(NC(=O)Cn2cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(Cl)c4)C3=O)c3ccccc32)c1 ZINC000409221067 1073001314 /nfs/dbraw/zinc/00/13/14/1073001314.db2.gz KIVRQCSOFGZDAO-YDZHTSKRSA-N 0 1 543.048 5.382 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(C)c([N+](=O)[O-])c1 ZINC000409220590 1073003908 /nfs/dbraw/zinc/00/39/08/1073003908.db2.gz BVBNPDKMDCVREB-KEBDBYFISA-N 0 1 508.987 5.104 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000409228735 1073025333 /nfs/dbraw/zinc/02/53/33/1073025333.db2.gz DKJKMARCAJIRDX-HYARGMPZSA-N 0 1 618.027 6.188 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000409227629 1073031095 /nfs/dbraw/zinc/03/10/95/1073031095.db2.gz RASUPWKTZNJJNW-ZMOGYAJESA-N 0 1 588.045 5.983 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 ZINC000409235706 1073042396 /nfs/dbraw/zinc/04/23/96/1073042396.db2.gz DBWBVRKIPXQUFZ-XHPQRKPJSA-N 0 1 594.523 7.949 40 10 KKCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000409231872 1073063772 /nfs/dbraw/zinc/06/37/72/1073063772.db2.gz LGXKZRYGDAMOFJ-CIAFOILYSA-N 0 1 539.966 6.193 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1cccc(Cl)c1C ZINC000409246377 1073076610 /nfs/dbraw/zinc/07/66/10/1073076610.db2.gz HKWYULDZTMKONQ-YBFXNURJSA-N 0 1 517.960 5.906 40 10 KKCBMN CCOc1cc(Br)c(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1OCC ZINC000409244332 1073088336 /nfs/dbraw/zinc/08/83/36/1073088336.db2.gz BCNSIMBWGFIVOD-WOJGMQOQSA-N 0 1 517.445 5.201 40 10 KKCBMN CC(C)(C)c1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(C(C)(C)C)c1O ZINC000409244396 1073088845 /nfs/dbraw/zinc/08/88/45/1073088845.db2.gz BXFCRWTYOWITTH-LICLKQGHSA-N 0 1 504.574 5.837 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000409242044 1073098624 /nfs/dbraw/zinc/09/86/24/1073098624.db2.gz PWFBMRIGJYAOSK-HAVVHWLPSA-N 0 1 615.180 6.771 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000409239511 1073112886 /nfs/dbraw/zinc/11/28/86/1073112886.db2.gz NKHZZGUSDMKXQM-JAIQZWGSSA-N 0 1 528.859 5.650 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000409239498 1073114975 /nfs/dbraw/zinc/11/49/75/1073114975.db2.gz NIJPMUQPCYRWPR-ZMOGYAJESA-N 0 1 607.570 6.040 40 10 KKCBMN CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1Br ZINC000409239053 1073116849 /nfs/dbraw/zinc/11/68/49/1073116849.db2.gz FYCRUJWBNHRKKJ-UZUMKDMXSA-N 0 1 501.446 5.581 40 10 KKCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000409238549 1073119332 /nfs/dbraw/zinc/11/93/32/1073119332.db2.gz DVPLXLAGTDPPML-GDNBJRDFSA-N 0 1 511.308 6.104 40 10 KKCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000409247774 1073153022 /nfs/dbraw/zinc/15/30/22/1073153022.db2.gz NTOZZFJTLOCBBO-UFFVCSGVSA-N 0 1 574.411 6.847 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000409247587 1073153350 /nfs/dbraw/zinc/15/33/50/1073153350.db2.gz DKVHOYBJQDQUJH-NTEUORMPSA-N 0 1 554.274 6.331 40 10 KKCBMN O=C(COc1c(Br)cc(Br)cc1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O)Nc1ccccc1Cl ZINC000409258713 1073244202 /nfs/dbraw/zinc/24/42/02/1073244202.db2.gz ZKZNBPMCSLSBNE-BOPFTXTBSA-N 0 1 649.748 5.714 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409258464 1073246238 /nfs/dbraw/zinc/24/62/38/1073246238.db2.gz XCSJXDYDURAZMS-XKZIYDEJSA-N 0 1 655.514 5.156 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1C ZINC000409267532 1073290336 /nfs/dbraw/zinc/29/03/36/1073290336.db2.gz NIFQBGKOKVVKJO-BKUYFWCQSA-N 0 1 655.514 5.156 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3cc(Br)c(Cc4ccc(Cl)cc4)o3)C(=O)NC2=S)c(C)c1 ZINC000002783320 552189015 /nfs/dbraw/zinc/18/90/15/552189015.db2.gz VNPKWWQGADNCLN-WOJGMQOQSA-N 0 1 529.843 5.734 40 10 KKCBMN COc1ccccc1N1C(=O)/C(=C\c2cn(Cc3cccc4ccccc43)c3ccccc23)C(=O)NC1=S ZINC000009260148 553227971 /nfs/dbraw/zinc/22/79/71/553227971.db2.gz YJQIKHABRFZXLJ-UQQQWYQISA-N 0 1 517.610 5.683 40 10 KKCBMN COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1C(=O)N1CCC(C)CC1 ZINC000014399569 553515279 /nfs/dbraw/zinc/51/52/79/553515279.db2.gz NUCBZIFVOJMUIZ-UHFFFAOYSA-N 0 1 527.042 5.253 40 10 KKCBMN CCOc1cccc(N2C(=O)/C(=C\c3cc(Br)c(Sc4ccc(Cl)cc4)o3)C(=O)NC2=S)c1 ZINC000100224873 554252637 /nfs/dbraw/zinc/25/26/37/554252637.db2.gz GPAKOWGPJQNVAS-WQRHYEAKSA-N 0 1 563.882 6.077 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000100321006 554305488 /nfs/dbraw/zinc/30/54/88/554305488.db2.gz RPXLMIMARDVWHS-NVMNQCDNSA-N 0 1 592.298 6.175 40 10 KKCBMN COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc([N+](=O)[O-])c2)N3)c1 ZINC000058849444 554369138 /nfs/dbraw/zinc/36/91/38/554369138.db2.gz ZMOBLHZBDLNIJV-LZCXECNNSA-N 0 1 507.568 5.239 40 10 KKCBMN Cc1cccc(COc2c(Cl)cc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)cc2Cl)c1 ZINC000059136054 554381760 /nfs/dbraw/zinc/38/17/60/554381760.db2.gz NTSKNJKJDLTIOG-LICLKQGHSA-N 0 1 515.393 6.692 40 10 KKCBMN COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1cccc2ccccc21 ZINC000059136090 554381883 /nfs/dbraw/zinc/38/18/83/554381883.db2.gz ZWBXGKRKZFKUIK-PXLXIMEGSA-N 0 1 512.562 6.238 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C\c3cc(Br)cc(Br)c3O)SC2=S)cc1 ZINC000059502987 554399617 /nfs/dbraw/zinc/39/96/17/554399617.db2.gz MPCBLMYAKAZAMS-VGOFMYFVSA-N 0 1 501.221 5.332 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000100935279 554529195 /nfs/dbraw/zinc/52/91/95/554529195.db2.gz FOIHOJCYOOAUFD-TURZUDJPSA-N 0 1 560.078 7.296 40 10 KKCBMN CCCc1ccc(C(=O)[C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccc(OC)cc4C=C[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103332889 555360120 /nfs/dbraw/zinc/36/01/20/555360120.db2.gz LGZVEMJNEFQJAH-QKJFBPPTSA-N 0 1 548.683 6.236 40 10 KKCBMN COc1ccc2c(c1)C=C[C@H]1N2[C@@H](C(=O)C(C)(C)C)C(=C(O)c2ccc3c(c2)OCO3)[C@]12C(=O)Nc1ccccc12 ZINC000103545087 555440106 /nfs/dbraw/zinc/44/01/06/555440106.db2.gz VJWPAUHYKSNSLW-LSBIRFPWSA-N 0 1 550.611 5.012 40 10 KKCBMN Cc1ccccc1N1C(=O)C(=Cc2cc(Br)cc(Br)c2O)C(=O)N(c2ccccc2C)C1=O ZINC000103759124 555470780 /nfs/dbraw/zinc/47/07/80/555470780.db2.gz OAYWYTVBNUVEAZ-UHFFFAOYSA-N 0 1 570.237 6.117 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000103851104 571364829 /nfs/dbraw/zinc/36/48/29/571364829.db2.gz XMXIWVASEHWXFP-LICLKQGHSA-N 0 1 531.392 5.551 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1 ZINC000103851250 571364961 /nfs/dbraw/zinc/36/49/61/571364961.db2.gz ZTTNRRANLVGLOW-GZTJUZNOSA-N 0 1 590.268 5.761 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)c(Br)c1 ZINC000103851527 571364999 /nfs/dbraw/zinc/36/49/99/571364999.db2.gz CUIHQPYMPADPBG-GZTJUZNOSA-N 0 1 529.362 5.138 40 10 KKCBMN CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)c1C)CCCC2 ZINC000103851409 571365003 /nfs/dbraw/zinc/36/50/03/571365003.db2.gz LYWJZNQUPADJKY-XMHGGMMESA-N 0 1 551.665 5.182 40 10 KKCBMN Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)cc2I)cc1 ZINC000103851896 571365179 /nfs/dbraw/zinc/36/51/79/571365179.db2.gz XAKPSYHGBCOEBP-LDADJPATSA-N 0 1 572.399 5.149 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000103852093 571365283 /nfs/dbraw/zinc/36/52/83/571365283.db2.gz PSLRWSRTHYSYJD-WOJGMQOQSA-N 0 1 555.425 5.316 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccc2ccccc2c1 ZINC000103852580 571365488 /nfs/dbraw/zinc/36/54/88/571365488.db2.gz KYZNDTHWZFQINK-HYARGMPZSA-N 0 1 561.034 6.441 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000103874582 571368402 /nfs/dbraw/zinc/36/84/02/571368402.db2.gz ZDVULOILIYOASX-OVVQPSECSA-N 0 1 608.789 6.735 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N([C@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000104096177 571373669 /nfs/dbraw/zinc/37/36/69/571373669.db2.gz GPLGNKOHHFDARS-XKYFYQGDSA-N 0 1 573.646 5.639 40 10 KKCBMN COc1cc(NN=C2C=C(CN(C)C)C(=O)c3ncccc32)c(OC)cc1N=Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000104226083 571377378 /nfs/dbraw/zinc/37/73/78/571377378.db2.gz BHYQQKVAXFPODQ-VCJCSLSZSA-N 0 1 584.420 8.065 40 10 KKCBMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(N=NC3C(=O)[C@@H](c4ccccc4)N(c4ccccc4)C3=O)cc2)n1 ZINC000104269785 571378261 /nfs/dbraw/zinc/37/82/61/571378261.db2.gz JNYDKZAGIKOUBX-ILOZYAQLSA-N 0 1 540.605 5.536 40 10 KKCBMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC)c(OC)c1)N2 ZINC000104649809 571383168 /nfs/dbraw/zinc/38/31/68/571383168.db2.gz CBOCDCXBEWRPLS-ASHZAFPQSA-N 0 1 527.042 5.993 40 10 KKCBMN O=C1/C(=C/c2cc(I)c(O)c(I)c2)SC(=S)N1Cc1ccccc1 ZINC000110514955 571431464 /nfs/dbraw/zinc/43/14/64/571431464.db2.gz XICNKWSOOSAXIX-ZSOIEALJSA-N 0 1 579.222 5.003 40 10 KKCBMN CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223537387 571497353 /nfs/dbraw/zinc/49/73/53/571497353.db2.gz FIKQDEHKFOWHMU-IQGJIOQQSA-N 0 1 502.467 5.937 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000164387508 571546690 /nfs/dbraw/zinc/54/66/90/571546690.db2.gz TYLMSYUKAAOMBY-RIYZIHGNSA-N 0 1 617.365 5.037 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000164387356 571546694 /nfs/dbraw/zinc/54/66/94/571546694.db2.gz RBIWOWYHUMFLPG-FYJGNVAPSA-N 0 1 638.458 6.002 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(Br)c1 ZINC000164391975 571546934 /nfs/dbraw/zinc/54/69/34/571546934.db2.gz DNULFCVNKNYDGQ-VIZOYTHASA-N 0 1 634.277 5.490 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1 ZINC000164393001 571546939 /nfs/dbraw/zinc/54/69/39/571546939.db2.gz REHHLFSGBUQNOP-CXUHLZMHSA-N 0 1 671.713 6.257 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1 ZINC000164396661 571547030 /nfs/dbraw/zinc/54/70/30/571547030.db2.gz BKDSPAYDFQWOBB-CXUHLZMHSA-N 0 1 627.262 6.147 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 ZINC000164398993 571547318 /nfs/dbraw/zinc/54/73/18/571547318.db2.gz MYVZIICECXLUGU-CXUHLZMHSA-N 0 1 729.265 5.353 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000164479614 571548857 /nfs/dbraw/zinc/54/88/57/571548857.db2.gz ZKIWHNGSNZQVLH-GRSHGNNSSA-N 0 1 683.749 6.126 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000164581296 571550152 /nfs/dbraw/zinc/55/01/52/571550152.db2.gz FDKGQRRQCYQOTR-XQNSMLJCSA-N 0 1 663.652 7.733 40 10 KKCBMN CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4cccc(Br)c4)C3=O)cc2[C@H](C)CC1(C)C ZINC000208325533 571573794 /nfs/dbraw/zinc/57/37/94/571573794.db2.gz NUOJAZCPINECII-SVZNOHIVSA-N 0 1 526.500 5.701 40 10 KKCBMN CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)cc2C(C)=CC1(C)C ZINC000208501691 571574518 /nfs/dbraw/zinc/57/45/18/571574518.db2.gz FHLNICIRONUJHV-DEDYPNTBSA-N 0 1 510.457 5.302 40 10 KKCBMN CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Br)c4)C3=O)cc2C(C)=CC1(C)C ZINC000208516235 571574658 /nfs/dbraw/zinc/57/46/58/571574658.db2.gz TXWUPYJOZHMJDK-UDWIEESQSA-N 0 1 510.457 5.302 40 10 KKCBMN CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)cc2C(C)=CC1(C)C ZINC000208516642 571574694 /nfs/dbraw/zinc/57/46/94/571574694.db2.gz GICCALQQTGFRNF-SFQUDFHCSA-N 0 1 500.451 5.847 40 10 KKCBMN CN1CCN(c2ccc3[nH]c(-c4cc(C(C)(C)C)c(OCCCC(=O)NCCCN=[N+]=[N-])c(C(C)(C)C)c4)nc3c2)CC1 ZINC000210411100 571575953 /nfs/dbraw/zinc/57/59/53/571575953.db2.gz LTPQCIXFOJELHJ-UHFFFAOYSA-N 0 1 588.801 6.552 40 10 KKCBMN Cc1[nH]n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(=O)c1C=Nc1cc2[nH]c(=O)[nH]c2cc1[N+](=O)[O-] ZINC000408536273 572190750 /nfs/dbraw/zinc/19/07/50/572190750.db2.gz VQLUFBZJQOAIGL-STZFKDTASA-N 0 1 512.570 5.363 40 10 KKCBMN CCOc1cc(COc2ccc(Cl)cc2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccccc1 ZINC000408540041 572204108 /nfs/dbraw/zinc/20/41/08/572204108.db2.gz MDNIZQIKKZRPPN-DIBXZPPDSA-N 0 1 599.108 6.728 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408553969 572241178 /nfs/dbraw/zinc/24/11/78/572241178.db2.gz XVFYBZWRZDDEAC-ZDLGFXPLSA-N 0 1 649.350 6.003 40 10 KKCBMN CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1NC(=O)c1ccccc1F ZINC000408587204 572266445 /nfs/dbraw/zinc/26/64/45/572266445.db2.gz SGMIDRJEPJGZAY-UHFFFAOYSA-N 0 1 553.011 6.162 40 10 KKCBMN Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)ccc1NC(=O)c1ccccc1 ZINC000408601439 572272805 /nfs/dbraw/zinc/27/28/05/572272805.db2.gz AYBPHRIVNIDONZ-UHFFFAOYSA-N 0 1 504.995 5.933 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCCC)c(Cl)c3)C2=O)cc1OC ZINC000409132114 1069783344 /nfs/dbraw/zinc/78/33/44/1069783344.db2.gz LHFGYBPMYYZMCB-LICLKQGHSA-N 0 1 521.397 5.242 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Br)cc4Br)cc3)C(=O)NC2=S)cc1 ZINC000409187213 1069797904 /nfs/dbraw/zinc/79/79/04/1069797904.db2.gz NMTAJFZIAKNRCF-CIAFOILYSA-N 0 1 602.304 5.631 40 10 KKCBMN CCc1ccccc1N1C(=O)/C(=C/c2ccc(OCc3ccc(I)cc3)c(OC)c2)C(=O)NC1=S ZINC000408775851 1069880930 /nfs/dbraw/zinc/88/09/30/1069880930.db2.gz SOEOBBXFUVLIAA-KGENOOAVSA-N 0 1 598.462 5.273 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408773705 1069887851 /nfs/dbraw/zinc/88/78/51/1069887851.db2.gz WQLGWJFCEWKCNQ-MFKUBSTISA-N 0 1 611.636 6.151 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408779276 1069900130 /nfs/dbraw/zinc/90/01/30/1069900130.db2.gz CPHYZWYXJAICFL-JFLMPSFJSA-N 0 1 665.407 7.029 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000408813827 1069962195 /nfs/dbraw/zinc/96/21/95/1069962195.db2.gz FPUQIDUUMRUJHZ-LZYBPNLTSA-N 0 1 522.816 6.025 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)ccc1OCc1ccccc1F ZINC000408852923 1070060423 /nfs/dbraw/zinc/06/04/23/1070060423.db2.gz JSFNSHHKDCXNBM-SFQUDFHCSA-N 0 1 545.419 5.942 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1cc(Cl)ccc1C ZINC000408853042 1070060585 /nfs/dbraw/zinc/06/05/85/1070060585.db2.gz KUHNZLMZEKYFBL-LICLKQGHSA-N 0 1 518.853 6.194 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408852018 1070058841 /nfs/dbraw/zinc/05/88/41/1070058841.db2.gz PQJNIJLRQLJEFY-LDADJPATSA-N 0 1 572.426 5.711 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(I)c1OCc1cccc(C)c1 ZINC000408849959 1070063690 /nfs/dbraw/zinc/06/36/90/1070063690.db2.gz BSNRWODQDISXPP-LICLKQGHSA-N 0 1 653.325 6.325 40 10 KKCBMN Cc1cccc(NC(=O)Cn2cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)c3ccccc32)c1 ZINC000408850523 1070064289 /nfs/dbraw/zinc/06/42/89/1070064289.db2.gz BJCZDJSMCPRCJB-DEDYPNTBSA-N 0 1 563.466 5.727 40 10 KKCBMN CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1Br ZINC000408854884 1070073397 /nfs/dbraw/zinc/07/33/97/1070073397.db2.gz AULVDBAVLGOJJS-JLHYYAGUSA-N 0 1 527.271 5.433 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000408854845 1070073485 /nfs/dbraw/zinc/07/34/85/1070073485.db2.gz AEPFIPAXPOJXMY-MHWRWJLKSA-N 0 1 547.847 6.066 40 10 KKCBMN Cc1ccc(COc2c(I)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)cc2I)cc1 ZINC000408858899 1070080684 /nfs/dbraw/zinc/08/06/84/1070080684.db2.gz UIYBBVGGKWQJNZ-CXUHLZMHSA-N 0 1 749.195 6.921 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000408870446 1070094015 /nfs/dbraw/zinc/09/40/15/1070094015.db2.gz DSRWDDJDBBCNFD-ODLFYWEKSA-N 0 1 562.272 6.166 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408870839 1070094787 /nfs/dbraw/zinc/09/47/87/1070094787.db2.gz XRHAGZYGBJOEAS-ZDLGFXPLSA-N 0 1 653.325 6.407 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000408880007 1070104894 /nfs/dbraw/zinc/10/48/94/1070104894.db2.gz IEJMFYITMLFXTI-NDENLUEZSA-N 0 1 584.435 5.019 40 10 KKCBMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1 ZINC000408916313 1070219579 /nfs/dbraw/zinc/21/95/79/1070219579.db2.gz BQTSKKQRCYZVJS-AUWJEWJLSA-N 0 1 506.298 5.132 40 10 KKCBMN COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(F)c(Cl)c4)C3=O)o2)cc1Cl ZINC000408968292 1070333499 /nfs/dbraw/zinc/33/34/99/1070333499.db2.gz XYSPLTXQPMLAQD-XNTDXEJSSA-N 0 1 519.337 5.010 40 10 KKCBMN CCOc1ccc2nc(Sc3ccc(/C=C4/C(=O)NC(=S)N(c5ccc(C)cc5C)C4=O)cc3[N+](=O)[O-])sc2c1 ZINC000408989420 1070354020 /nfs/dbraw/zinc/35/40/20/1070354020.db2.gz HRGLWVVHKXBSCD-XDHOZWIPSA-N 0 1 590.708 6.203 40 10 KKCBMN O=C1c2ccccc2C(=O)N1c1ccc2nc(Sc3ccc(/C=C4\C(=O)NC(=S)N(c5ccccc5)C4=O)o3)sc2c1 ZINC000408990676 1070356740 /nfs/dbraw/zinc/35/67/40/1070356740.db2.gz LIONMSIHNAFGSE-RCCKNPSSSA-N 0 1 608.682 5.672 40 10 KKCBMN O=C1NC(=S)N(c2ccc3ccccc3c2)C(=O)/C1=C/c1cc(Br)c(Sc2ccccc2)o1 ZINC000409002739 1070379586 /nfs/dbraw/zinc/37/95/86/1070379586.db2.gz POHCYCUEFVRGER-DEDYPNTBSA-N 0 1 535.444 6.178 40 10 KKCBMN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)C(=O)NC1=S ZINC000409105460 1070540049 /nfs/dbraw/zinc/54/00/49/1070540049.db2.gz JWRUKPKUWKFXSM-DEDYPNTBSA-N 0 1 543.895 6.393 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)cc(Br)c3OS(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1OC ZINC000409129908 1070556735 /nfs/dbraw/zinc/55/67/35/1070556735.db2.gz MQCREJTUVVBSTI-FYJGNVAPSA-N 0 1 742.826 6.092 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(Br)c2ccccc21 ZINC000409146668 1070573866 /nfs/dbraw/zinc/57/38/66/1070573866.db2.gz SBTMOJSCRLDZAN-HZHRSRAPSA-N 0 1 528.406 5.672 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccc(Br)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409190208 1070606966 /nfs/dbraw/zinc/60/69/66/1070606966.db2.gz PUZTWSUUGXJSBO-ZVHZXABRSA-N 0 1 716.423 7.039 40 10 KKCBMN O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2Br)cc1 ZINC000409186413 1070607039 /nfs/dbraw/zinc/60/70/39/1070607039.db2.gz BTYGNIGRBBAJPA-GIJQJNRQSA-N 0 1 641.168 6.929 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1OCC ZINC000409192552 1070610584 /nfs/dbraw/zinc/61/05/84/1070610584.db2.gz DWQFVDYBCZICQI-BUVRLJJBSA-N 0 1 579.049 5.777 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3c(OCc4ccccc4F)ccc4ccccc43)C2=O)cc1OCC ZINC000409191681 1070609209 /nfs/dbraw/zinc/60/92/09/1070609209.db2.gz KPIWIEMQVNDMSE-ZXVVBBHZSA-N 0 1 582.628 6.407 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000409223356 1070650192 /nfs/dbraw/zinc/65/01/92/1070650192.db2.gz FKELBRRFEVBLJS-PCLIKHOPSA-N 0 1 560.050 6.297 40 10 KKCBMN O=C(Cn1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c2ccccc21)Nc1ccc(Cl)cc1 ZINC000409231985 1070657685 /nfs/dbraw/zinc/65/76/85/1070657685.db2.gz GMZHUOFODMYPPF-DEDYPNTBSA-N 0 1 549.439 5.418 40 10 KKCBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3cn(Cc4cccc([N+](=O)[O-])c4)c4ccccc34)C(=O)NC2=S)c1 ZINC000409233701 1070659155 /nfs/dbraw/zinc/65/91/55/1070659155.db2.gz HKWCEYUVIWASFG-OEAKJJBVSA-N 0 1 510.575 5.046 40 10 KKCBMN CCOc1ccc(N2C(=O)/C(=C\c3cc(I)c(O)c(I)c3)SC2=S)cc1 ZINC000409352907 1070871896 /nfs/dbraw/zinc/87/18/96/1070871896.db2.gz ZJLSKNYGIATWFA-OQLLNIDSSA-N 0 1 609.248 5.406 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409371980 1070894511 /nfs/dbraw/zinc/89/45/11/1070894511.db2.gz XPYOSIOLZAYYCE-HYARGMPZSA-N 0 1 564.063 5.150 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000409373531 1070897094 /nfs/dbraw/zinc/89/70/94/1070897094.db2.gz UNMKSDOHSVIGPX-CVKSISIWSA-N 0 1 574.431 5.691 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OCc4cccc(C)c4)cc3Br)C(=O)NC2=S)cc1 ZINC000409377272 1070903709 /nfs/dbraw/zinc/90/37/09/1070903709.db2.gz HIIREDMJLFPXQX-LPYMAVHISA-N 0 1 565.489 5.739 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCC(=O)Nc1ccccc1 ZINC000409380952 1070906424 /nfs/dbraw/zinc/90/64/24/1070906424.db2.gz QDOQNSZVFMZTMS-HYARGMPZSA-N 0 1 608.514 5.259 40 10 KKCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2cccc3ccccc32)c(I)c1 ZINC000409399815 1070914216 /nfs/dbraw/zinc/91/42/16/1070914216.db2.gz NAGKNSMLEJNUSH-HAHDFKILSA-N 0 1 546.364 5.485 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408916912 1070996214 /nfs/dbraw/zinc/99/62/14/1070996214.db2.gz IONMWGUMKFQWON-YDZHTSKRSA-N 0 1 591.458 6.160 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408692951 1071392433 /nfs/dbraw/zinc/39/24/33/1071392433.db2.gz ZEGZQXYMIKZRQV-LZYBPNLTSA-N 0 1 523.800 5.639 40 10 KKCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000408692964 1071392487 /nfs/dbraw/zinc/39/24/87/1071392487.db2.gz ZOCPKZGKKGAQBT-CXUHLZMHSA-N 0 1 538.225 5.739 40 10 KKCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000408692347 1071394674 /nfs/dbraw/zinc/39/46/74/1071394674.db2.gz KMGKWAPADOTAHE-RQZCQDPDSA-N 0 1 538.225 5.739 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1ccc(I)cc1 ZINC000408692119 1071397027 /nfs/dbraw/zinc/39/70/27/1071397027.db2.gz DVCZVDGMFRXMFY-VCHYOVAHSA-N 0 1 625.257 5.046 40 10 KKCBMN COC(=O)c1ccc(Cl)c(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(F)c(Cl)c4)C3=O)o2)c1 ZINC000408966456 1071410063 /nfs/dbraw/zinc/41/00/63/1071410063.db2.gz MUGRXSLYMIHWAV-XNTDXEJSSA-N 0 1 519.337 5.010 40 10 KKCBMN O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000408966335 1071411128 /nfs/dbraw/zinc/41/11/28/1071411128.db2.gz LRYDKRAOXXGPGL-NTEUORMPSA-N 0 1 506.298 5.132 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc2ncccc2c1 ZINC000408968415 1071461419 /nfs/dbraw/zinc/46/14/19/1071461419.db2.gz YRUFSBVHPAYINO-LPYMAVHISA-N 0 1 531.435 5.236 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408723085 1071531179 /nfs/dbraw/zinc/53/11/79/1071531179.db2.gz QGLOPHRNRFOLFA-CAOOACKPSA-N 0 1 626.743 6.828 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408722925 1071531674 /nfs/dbraw/zinc/53/16/74/1071531674.db2.gz ONFOJYGQIAQCGM-RGVLZGJSSA-N 0 1 606.325 6.565 40 10 KKCBMN Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(/C=C5/C(=O)NC(=S)N(c6ccc(C)c(C)c6)C5=O)cc4[N+](=O)[O-])sc3c2)cc1 ZINC000408992310 1071574260 /nfs/dbraw/zinc/57/42/60/1071574260.db2.gz RPZLJGHVVXCCIO-MFKUBSTISA-N 0 1 679.805 7.365 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(NC(=O)c6ccc(Cl)cc6)cc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1 ZINC000408988040 1071608867 /nfs/dbraw/zinc/60/88/67/1071608867.db2.gz CHWFZIHKKONJID-OEAKJJBVSA-N 0 1 686.196 7.401 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)[C@@H]7CCCC[C@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)c(C)c1 ZINC000408987428 1071612967 /nfs/dbraw/zinc/61/29/67/1071612967.db2.gz AZZSWQTYRQYNFM-UZBYXMDDSA-N 0 1 697.820 6.483 40 10 KKCBMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000408744064 1071616596 /nfs/dbraw/zinc/61/65/96/1071616596.db2.gz YNNJPQVWZOGIGQ-YBEGLDIGSA-N 0 1 532.759 5.102 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408744043 1071616741 /nfs/dbraw/zinc/61/67/41/1071616741.db2.gz YIHZCQOPZCHGDT-RGVLZGJSSA-N 0 1 602.304 5.631 40 10 KKCBMN CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4)C3=O)c2-c2ccccc2)cc1 ZINC000408743108 1071618978 /nfs/dbraw/zinc/61/89/78/1071618978.db2.gz ZHPONFDSSJOCNB-DFKUXCBWSA-N 0 1 611.723 7.128 40 10 KKCBMN Cc1ccc(-c2ccc(/C=C3/C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)o2)c(Br)c1 ZINC000408743216 1071618989 /nfs/dbraw/zinc/61/89/89/1071618989.db2.gz VLBQKDQRPKGGFX-BOPFTXTBSA-N 0 1 501.789 5.502 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000408743200 1071619057 /nfs/dbraw/zinc/61/90/57/1071619057.db2.gz VHWAQTBAFMZNQG-KEBDBYFISA-N 0 1 562.272 6.166 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000408742850 1071619586 /nfs/dbraw/zinc/61/95/86/1071619586.db2.gz SZEDNCMSBGCDAN-YBEGLDIGSA-N 0 1 522.207 5.847 40 10 KKCBMN Cc1cc(Br)ccc1N1C(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)C(=O)NC1=S ZINC000408743091 1071619597 /nfs/dbraw/zinc/61/95/97/1071619597.db2.gz UNOWGBTYWBEMMU-USHMODERSA-N 0 1 663.553 7.622 40 10 KKCBMN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)NC1=S ZINC000408742773 1071620045 /nfs/dbraw/zinc/62/00/45/1071620045.db2.gz SSSAQLXVUUSEPF-MHWRWJLKSA-N 0 1 546.786 5.410 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408742190 1071622321 /nfs/dbraw/zinc/62/23/21/1071622321.db2.gz QAEFMXHBPNMYDG-CIAFOILYSA-N 0 1 541.456 6.111 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000408741031 1071627842 /nfs/dbraw/zinc/62/78/42/1071627842.db2.gz JKBTZVRIVGSMTD-GDNBJRDFSA-N 0 1 532.759 5.102 40 10 KKCBMN CCOc1cccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccccc4)c(OC)c3)C(=O)NC2=S)c1 ZINC000408741932 1071623926 /nfs/dbraw/zinc/62/39/26/1071623926.db2.gz STRKJSRIEUQCNH-CIAFOILYSA-N 0 1 614.461 5.109 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408740759 1071629695 /nfs/dbraw/zinc/62/96/95/1071629695.db2.gz HXPZJOZJYRYFNQ-CNHKJKLMSA-N 0 1 718.194 6.779 40 10 KKCBMN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)NC1=S ZINC000408739984 1071632487 /nfs/dbraw/zinc/63/24/87/1071632487.db2.gz CESVSCFMFSDILW-KGENOOAVSA-N 0 1 507.409 5.168 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000408757035 1071634299 /nfs/dbraw/zinc/63/42/99/1071634299.db2.gz VZQUCKSXDDTURE-ONUIUJJFSA-N 0 1 538.625 5.657 40 10 KKCBMN CCOc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(I)cc4)cc3)C(=O)NC2=S)c1 ZINC000409002440 1071640793 /nfs/dbraw/zinc/64/07/93/1071640793.db2.gz ZYXXWGWJGBKDSY-OEAKJJBVSA-N 0 1 584.435 5.100 40 10 KKCBMN O=c1/c(=C/c2ccc(/N=N/c3ccccc3)cc2O)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000408754745 1071650568 /nfs/dbraw/zinc/65/05/68/1071650568.db2.gz HXSRXWBZUFWASV-GPSICVMSSA-N 0 1 540.648 6.440 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000408753190 1071659147 /nfs/dbraw/zinc/65/91/47/1071659147.db2.gz FBMKKVLRYMQITD-BKUYFWCQSA-N 0 1 614.461 5.109 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408997372 1071664860 /nfs/dbraw/zinc/66/48/60/1071664860.db2.gz OATYFSNXQOOAHM-LICLKQGHSA-N 0 1 685.221 7.246 40 10 KKCBMN CCOc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)s3)C(=O)NC2=S)cc1 ZINC000409014154 1071677208 /nfs/dbraw/zinc/67/72/08/1071677208.db2.gz FPSNYZXLYMDOTB-CPNJWEJPSA-N 0 1 501.054 5.783 40 10 KKCBMN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(/N=N/c5ccccc5)cc4O)c(=O)n32)c1 ZINC000408770531 1071743055 /nfs/dbraw/zinc/74/30/55/1071743055.db2.gz YOXUQSXQXOGTMW-YSYATTAESA-N 0 1 601.688 6.004 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408774145 1071763414 /nfs/dbraw/zinc/76/34/14/1071763414.db2.gz AFYPOHIBAMSMIK-WPWMEQJKSA-N 0 1 600.538 6.575 40 10 KKCBMN CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(OCc5ccc(Br)cc5)cc4)c3C)C(=O)NC2=S)cc1 ZINC000408772336 1071773915 /nfs/dbraw/zinc/77/39/15/1071773915.db2.gz KRXJRSNWGRJZCG-RDRPBHBLSA-N 0 1 630.564 6.666 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Cl)c3)C(=O)NC2=S)c(C)c1 ZINC000408780004 1071826791 /nfs/dbraw/zinc/82/67/91/1071826791.db2.gz PPSMDNLYLLGKHH-LICLKQGHSA-N 0 1 575.952 6.507 40 10 KKCBMN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Br)cc(Br)c1O ZINC000409046052 1071834569 /nfs/dbraw/zinc/83/45/69/1071834569.db2.gz RCQGVKAZXACIRV-FPYGCLRLSA-N 0 1 526.053 5.419 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408786623 1071848222 /nfs/dbraw/zinc/84/82/22/1071848222.db2.gz TVQIURFGBDJITD-OKCVXOCRSA-N 0 1 549.740 6.702 40 10 KKCBMN CCc1ccccc1N1C(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3Br)c(OC)c2)C(=O)NC1=S ZINC000408783234 1071872510 /nfs/dbraw/zinc/87/25/10/1071872510.db2.gz LKOBBNNNFJLVDD-UDWIEESQSA-N 0 1 630.358 6.193 40 10 KKCBMN CCOc1cc(OCC)c(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1Br ZINC000409086138 1072170439 /nfs/dbraw/zinc/17/04/39/1072170439.db2.gz FTLSUCJYYZYPSN-NTEUORMPSA-N 0 1 523.836 5.040 40 10 KKCBMN Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)C(=O)NC1=S ZINC000409097275 1072229568 /nfs/dbraw/zinc/22/95/68/1072229568.db2.gz MAFYILZBALINCE-OQLLNIDSSA-N 0 1 568.301 6.640 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)C(=O)NC2=S)c(OC)c1 ZINC000409095834 1072238531 /nfs/dbraw/zinc/23/85/31/1072238531.db2.gz IMPCAYMQPDQJHQ-ONUIUJJFSA-N 0 1 537.641 5.610 40 10 KKCBMN COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409327224 1072242335 /nfs/dbraw/zinc/24/23/35/1072242335.db2.gz IICVFPFDDILCEU-DJKKODMXSA-N 0 1 630.394 6.951 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000409097938 1072334583 /nfs/dbraw/zinc/33/45/83/1072334583.db2.gz OJIBXMGKPSGCFF-LICLKQGHSA-N 0 1 563.304 6.303 40 10 KKCBMN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409332895 1072357709 /nfs/dbraw/zinc/35/77/09/1072357709.db2.gz SRFHSJYRPBSZMP-FYJGNVAPSA-N 0 1 541.632 5.180 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C\c3ccccc3Sc3ccc(Cl)cc3)C(=O)NC2=S)c(OC)c1 ZINC000409103348 1072360935 /nfs/dbraw/zinc/36/09/35/1072360935.db2.gz WDOUYTFGDPRIAS-UYRXBGFRSA-N 0 1 511.024 5.340 40 10 KKCBMN O=C(NN1C(=O)/C(=C\c2c(OCc3ccccc3)ccc3ccccc32)SC1=S)c1cccs1 ZINC000409330542 1072376319 /nfs/dbraw/zinc/37/63/19/1072376319.db2.gz KQWYXSOYVSVJJD-HZHRSRAPSA-N 0 1 502.642 6.027 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(Br)cc1F ZINC000409108871 1072403478 /nfs/dbraw/zinc/40/34/78/1072403478.db2.gz YNTGWZHAYVIHDM-LICLKQGHSA-N 0 1 546.849 5.789 40 10 KKCBMN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409345432 1072424799 /nfs/dbraw/zinc/42/47/99/1072424799.db2.gz IIKBVSLIRHYNHR-HMAPJEAMSA-N 0 1 553.687 5.019 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccccc4F)c(Cl)c3)C2=O)cc1OC ZINC000409127147 1072447735 /nfs/dbraw/zinc/44/77/35/1072447735.db2.gz PCVRDNBRJTZEKW-RGVLZGJSSA-N 0 1 587.431 6.171 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Br)cc(Br)c3OCc3ccccc3F)C2=O)cc1OC ZINC000409125324 1072461935 /nfs/dbraw/zinc/46/19/35/1072461935.db2.gz JTGQOFNJVYHBNV-FYJGNVAPSA-N 0 1 676.333 6.389 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCc3ccc(Cl)cc3)C2=O)cc1OC ZINC000409124743 1072465441 /nfs/dbraw/zinc/46/54/41/1072465441.db2.gz CJUJKZZQPXKPSC-HZHRSRAPSA-N 0 1 613.892 6.141 40 10 KKCBMN CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)c1C)CCCC2 ZINC000409136520 1072478611 /nfs/dbraw/zinc/47/86/11/1072478611.db2.gz XBGGBLDJWKRZKN-PXLXIMEGSA-N 0 1 561.729 5.659 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4cccc(F)c4)c(Br)c3)C2=O)cc1OC ZINC000409135801 1072483157 /nfs/dbraw/zinc/48/31/57/1072483157.db2.gz QRIBEVCJGNULES-SRZZPIQSSA-N 0 1 676.333 6.389 40 10 KKCBMN O=C1/C(=C\c2cc(I)c(O)c(I)c2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409338077 1072488218 /nfs/dbraw/zinc/48/82/18/1072488218.db2.gz CPDCAWYKACGCNJ-WLRTZDKTSA-N 0 1 678.536 6.423 40 10 KKCBMN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000409337947 1072489450 /nfs/dbraw/zinc/48/94/50/1072489450.db2.gz ADRXXYQKHIUGRM-NDENLUEZSA-N 0 1 593.521 6.174 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3c(OCc4ccccc4F)ccc4ccccc43)C2=O)cc1OC ZINC000409134813 1072490436 /nfs/dbraw/zinc/49/04/36/1072490436.db2.gz PJJZDKIBPRBHQA-NLRVBDNBSA-N 0 1 568.601 6.017 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409133896 1072496053 /nfs/dbraw/zinc/49/60/53/1072496053.db2.gz QXGZHFWOKCXRTL-YDZHTSKRSA-N 0 1 704.945 6.382 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3c(OCc4ccc(F)cc4)ccc4ccccc43)C2=O)cc1OC ZINC000409133902 1072496073 /nfs/dbraw/zinc/49/60/73/1072496073.db2.gz QXXCPBONGWFZFK-OVVQPSECSA-N 0 1 568.601 6.017 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4cccc5ccccc54)c4ccccc34)C(=O)NC2=S)c(C)c1 ZINC000409129063 1072522441 /nfs/dbraw/zinc/52/24/41/1072522441.db2.gz JWOAQWYHPPOVSW-WPWMEQJKSA-N 0 1 515.638 6.291 40 10 KKCBMN O=C1/C(=C/c2cc(I)c(O)c(I)c2)SC(=S)N1c1ccccc1F ZINC000409352210 1072530457 /nfs/dbraw/zinc/53/04/57/1072530457.db2.gz WYKDTMAECJEMKO-QPEQYQDCSA-N 0 1 583.185 5.146 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4Cl)c4ccccc34)C(=O)NC2=S)c(C)c1 ZINC000409142800 1072545969 /nfs/dbraw/zinc/54/59/69/1072545969.db2.gz BIQFJBKMYDRSMN-HYARGMPZSA-N 0 1 500.023 5.791 40 10 KKCBMN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409349953 1072546609 /nfs/dbraw/zinc/54/66/09/1072546609.db2.gz WRQZYKMIAQMOGV-RGVLZGJSSA-N 0 1 595.602 6.412 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4cccc(F)c4)c(Cl)c3)C2=O)cc1OC ZINC000409141536 1072551935 /nfs/dbraw/zinc/55/19/35/1072551935.db2.gz VHAXNLKFNGEXCO-SRZZPIQSSA-N 0 1 587.431 6.171 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409141631 1072552590 /nfs/dbraw/zinc/55/25/90/1072552590.db2.gz ATXFUJICISMWRJ-WPWMEQJKSA-N 0 1 552.612 5.816 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1cccc(Br)c1 ZINC000409140684 1072557732 /nfs/dbraw/zinc/55/77/32/1072557732.db2.gz HUVBJTRAYWPWDC-CIAFOILYSA-N 0 1 508.441 5.305 40 10 KKCBMN CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)c2-c2ccccc2)cc1 ZINC000409146318 1072582848 /nfs/dbraw/zinc/58/28/48/1072582848.db2.gz SYYGBIOEPZPLHY-VAMRJTSQSA-N 0 1 625.750 7.436 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc(Cl)cc4Cl)c(OCC)c3)C2=O)cc1OC ZINC000409145898 1072585647 /nfs/dbraw/zinc/58/56/47/1072585647.db2.gz SKEUJWDSMHWEGB-SSDVNMTOSA-N 0 1 647.939 7.084 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccc(F)cc4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409375176 1072633273 /nfs/dbraw/zinc/63/32/73/1072633273.db2.gz GSLKVNMSFJWZRM-CIAFOILYSA-N 0 1 616.452 5.412 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000409374576 1072635859 /nfs/dbraw/zinc/63/58/59/1072635859.db2.gz UEKIQPASBWQUNN-RQZCQDPDSA-N 0 1 594.245 5.989 40 10 KKCBMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1 ZINC000409374245 1072639935 /nfs/dbraw/zinc/63/99/35/1072639935.db2.gz ZUEVJVVYEMYDRB-VCHYOVAHSA-N 0 1 560.198 5.046 40 10 KKCBMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc32)c(I)c1 ZINC000409373459 1072641792 /nfs/dbraw/zinc/64/17/92/1072641792.db2.gz SWWXAPXSMWCAKU-LPYMAVHISA-N 0 1 578.362 5.278 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3c(OCc4ccc(C)cc4)ccc4ccccc43)C2=O)cc1OC ZINC000409148421 1072642201 /nfs/dbraw/zinc/64/22/01/1072642201.db2.gz ZBFRPPFIIMQRFF-TURZUDJPSA-N 0 1 564.638 6.187 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000409371836 1072647824 /nfs/dbraw/zinc/64/78/24/1072647824.db2.gz IPQULACFEZNCFA-MFKUBSTISA-N 0 1 529.980 5.582 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409370975 1072651296 /nfs/dbraw/zinc/65/12/96/1072651296.db2.gz AZEXJOVUHAXUGE-WSDLNYQXSA-N 0 1 516.937 5.336 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc43)C(=O)NC2=S)cc1 ZINC000409369292 1072660318 /nfs/dbraw/zinc/66/03/18/1072660318.db2.gz AOYWZSSEOHHLAU-YZSQISJMSA-N 0 1 537.597 5.721 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409378961 1072672016 /nfs/dbraw/zinc/67/20/16/1072672016.db2.gz SWOOTJNJWLBRGB-LPYMAVHISA-N 0 1 555.483 6.365 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409378199 1072677763 /nfs/dbraw/zinc/67/77/63/1072677763.db2.gz NKMYSSPPWVSTRU-LPYMAVHISA-N 0 1 566.035 5.620 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)cc4)c(Br)c3)C(=O)NC2=S)cc1 ZINC000409383192 1072703377 /nfs/dbraw/zinc/70/33/77/1072703377.db2.gz SDMPBGDQSZWIEH-HYARGMPZSA-N 0 1 578.488 5.169 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Br)c(Cl)c4)c3C)C(=O)NC2=S)cc1 ZINC000409383270 1072703774 /nfs/dbraw/zinc/70/37/74/1072703774.db2.gz SVZMFPJGHCKCGE-UDWIEESQSA-N 0 1 542.886 5.904 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccc(Cl)cc4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409382826 1072705617 /nfs/dbraw/zinc/70/56/17/1072705617.db2.gz RMEMURNRFVYOOC-CIAFOILYSA-N 0 1 585.907 6.084 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4Cl)c(Br)c3)C(=O)NC2=S)cc1 ZINC000409382462 1072706594 /nfs/dbraw/zinc/70/65/94/1072706594.db2.gz MOZDZJTXVDULLM-RGVLZGJSSA-N 0 1 590.326 6.729 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccccc4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409381027 1072714746 /nfs/dbraw/zinc/71/47/46/1072714746.db2.gz QYNCOAVQGUOYAV-FYJGNVAPSA-N 0 1 551.462 5.430 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000409380699 1072715890 /nfs/dbraw/zinc/71/58/90/1072715890.db2.gz BEYDHHKMMLANMB-LPYMAVHISA-N 0 1 691.385 6.425 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3c(OCc4cccc([N+](=O)[O-])c4)ccc4ccccc43)C(=O)NC2=S)cc1 ZINC000409379396 1072722729 /nfs/dbraw/zinc/72/27/29/1072722729.db2.gz WSCUNBSHDXBNFF-YZSQISJMSA-N 0 1 537.597 5.721 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000409388094 1072740369 /nfs/dbraw/zinc/74/03/69/1072740369.db2.gz UBLSHZATCQQISL-FYJGNVAPSA-N 0 1 583.479 5.960 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C(=O)NC2=S)cc1 ZINC000409387691 1072743247 /nfs/dbraw/zinc/74/32/47/1072743247.db2.gz SHHQIZYUHXDCCX-FYJGNVAPSA-N 0 1 566.433 5.330 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3cccc(C)c3)C(=O)NC2=S)cc1 ZINC000409387440 1072743309 /nfs/dbraw/zinc/74/33/09/1072743309.db2.gz QKAHZNHXSFLAHW-HZHRSRAPSA-N 0 1 535.463 5.730 40 10 KKCBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1Br ZINC000409407270 1072754492 /nfs/dbraw/zinc/75/44/92/1072754492.db2.gz MARBVYZQTKZTCK-NVMNQCDNSA-N 0 1 592.671 5.914 40 10 KKCBMN Cc1ccccc1N1C(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3Br)cc2)C(=O)NC1=S ZINC000409186463 1072762232 /nfs/dbraw/zinc/76/22/32/1072762232.db2.gz CHMQFBSSYLWENZ-UDWIEESQSA-N 0 1 586.305 5.930 40 10 KKCBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1Br ZINC000409404496 1072765698 /nfs/dbraw/zinc/76/56/98/1072765698.db2.gz DGAPNKDRNZOSDT-NVMNQCDNSA-N 0 1 637.122 6.023 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCc1ccc(Br)cc1Br ZINC000409404160 1072768219 /nfs/dbraw/zinc/76/82/19/1072768219.db2.gz CPFYDGHXBOLISJ-GRSHGNNSSA-N 0 1 698.149 6.255 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCc1cccc2ccccc21 ZINC000409404034 1072768925 /nfs/dbraw/zinc/76/89/25/1072768925.db2.gz BMLOGNKGZGXVJC-IWIPYMOSSA-N 0 1 543.417 6.041 40 10 KKCBMN C=C/C=C\C(=C/C)N1C(=O)C(=Cc2c(O)n(-c3ccc(Cl)cc3)c(=S)[nH]c2=O)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409182130 1072791914 /nfs/dbraw/zinc/79/19/14/1072791914.db2.gz IJRCKMGHWKADQF-WTQROMRGSA-N 0 1 724.264 5.640 40 10 KKCBMN C=C/C=C\C(=C/C)N1C(=O)C(=Cc2c(O)n(-c3ccc(Cl)cc3)c(=S)[nH]c2=O)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409182128 1072792025 /nfs/dbraw/zinc/79/20/25/1072792025.db2.gz IJRCKMGHWKADQF-KESMSSKLSA-N 0 1 724.264 5.640 40 10 KKCBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCc1cccc2ccccc21 ZINC000409408110 1072818093 /nfs/dbraw/zinc/81/80/93/1072818093.db2.gz PGBFZMSCZOKEPJ-UCQKPKSFSA-N 0 1 529.390 5.651 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(I)c(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C2=O)cc1OCC ZINC000409194992 1072839018 /nfs/dbraw/zinc/83/90/18/1072839018.db2.gz ODJYXJXBKUNZKZ-OEAKJJBVSA-N 0 1 734.565 5.225 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccccc3)C2=O)cc1OCC ZINC000409194097 1072845159 /nfs/dbraw/zinc/84/51/59/1072845159.db2.gz NUZJFYKJRAHLRW-JJIBRWJFSA-N 0 1 549.023 5.769 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(Br)cc3)C2=O)cc1OCC ZINC000409193708 1072848514 /nfs/dbraw/zinc/84/85/14/1072848514.db2.gz LMDBJJBHMAMXOL-JJIBRWJFSA-N 0 1 593.474 5.878 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OS(=O)(=O)c4ccc(C)cc4)c(Br)c3)C2=O)cc1OCC ZINC000409192967 1072851909 /nfs/dbraw/zinc/85/19/09/1072851909.db2.gz GPUYUXIOYTZRMP-LPYMAVHISA-N 0 1 736.435 6.137 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(F)c4)c(Br)c3)C2=O)cc1OCC ZINC000409192521 1072854717 /nfs/dbraw/zinc/85/47/17/1072854717.db2.gz DQZVASCAZJSLIG-OEAKJJBVSA-N 0 1 611.464 6.017 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Br)cc(Br)c3OCc3ccc(Br)cc3)C2=O)cc1OCC ZINC000409192218 1072856118 /nfs/dbraw/zinc/85/61/18/1072856118.db2.gz AAVPKZQUHJFNHK-OEAKJJBVSA-N 0 1 751.266 7.403 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4cccc(Cl)c4)c(Br)c3)C2=O)cc1OCC ZINC000409192271 1072856199 /nfs/dbraw/zinc/85/61/99/1072856199.db2.gz WCVVAFRCXZMERY-WSDLNYQXSA-N 0 1 706.815 7.294 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc(F)cc4)c(OC)c3)C2=O)cc1OCC ZINC000409192267 1072856319 /nfs/dbraw/zinc/85/63/19/1072856319.db2.gz CBFCSGDHWIVDGC-YDZHTSKRSA-N 0 1 597.039 5.916 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1OCC ZINC000409192178 1072857748 /nfs/dbraw/zinc/85/77/48/1072857748.db2.gz VGEWQWCYZGWXAE-WSDLNYQXSA-N 0 1 717.367 6.548 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cccc(OCc4cccc(Cl)c4)c3)C2=O)cc1OCC ZINC000409192180 1072857812 /nfs/dbraw/zinc/85/78/12/1072857812.db2.gz VHFMPCOIXZSQBA-XYGWBWBKSA-N 0 1 549.023 5.769 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc(Cl)cc4Cl)c(Cl)c3)C2=O)cc1OCC ZINC000409191909 1072858357 /nfs/dbraw/zinc/85/83/57/1072858357.db2.gz QBVKIFMQXYBETE-UFFVCSGVSA-N 0 1 652.358 7.729 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4ccc(C)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409191561 1072861847 /nfs/dbraw/zinc/86/18/47/1072861847.db2.gz ZBXRDPFWGZUJOX-MFKUBSTISA-N 0 1 698.554 6.427 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccccc3F)C2=O)cc1OCC ZINC000409191295 1072864239 /nfs/dbraw/zinc/86/42/39/1072864239.db2.gz UVIAWNXPVZHSIZ-HAVVHWLPSA-N 0 1 532.568 5.254 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccc(F)cc4)c(OC)c3)C2=O)cc1OCC ZINC000409190926 1072865652 /nfs/dbraw/zinc/86/56/52/1072865652.db2.gz BNEAOZODRPNAEH-YDZHTSKRSA-N 0 1 641.490 6.025 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccc(C)cc4)c(Br)c3)C2=O)cc1OCC ZINC000409190895 1072865948 /nfs/dbraw/zinc/86/59/48/1072865948.db2.gz AVKSWYQKVKQBFM-YDZHTSKRSA-N 0 1 686.397 6.949 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4cccc(Cl)c4)c(Cl)c3)C2=O)cc1OCC ZINC000409190768 1072867099 /nfs/dbraw/zinc/86/70/99/1072867099.db2.gz WBEIOZGFXHNGBS-WSDLNYQXSA-N 0 1 617.913 7.075 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc(Br)cc4)c(Cl)c3)C2=O)cc1OCC ZINC000409190256 1072871371 /nfs/dbraw/zinc/87/13/71/1072871371.db2.gz QSCPSQYNQYNQBT-WSDLNYQXSA-N 0 1 662.364 7.184 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(Cl)c3)C2=O)cc1OCC ZINC000409190240 1072871665 /nfs/dbraw/zinc/87/16/65/1072871665.db2.gz QKTRSCSJIMRKKF-WSDLNYQXSA-N 0 1 617.913 7.075 40 10 KKCBMN COC(=O)c1c(C)c(C)sc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c1C ZINC000409204759 1072902013 /nfs/dbraw/zinc/90/20/13/1072902013.db2.gz JZYSWOXGSCOTAV-YBFXNURJSA-N 0 1 528.055 5.044 40 10 KKCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000409227134 1072971092 /nfs/dbraw/zinc/97/10/92/1072971092.db2.gz PELADLIRFKAKEW-MHWRWJLKSA-N 0 1 521.860 5.358 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000409226908 1072972530 /nfs/dbraw/zinc/97/25/30/1072972530.db2.gz NWKSNQVUHFZAKE-ZMOGYAJESA-N 0 1 632.054 6.496 40 10 KKCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12 ZINC000409222479 1072992806 /nfs/dbraw/zinc/99/28/06/1072992806.db2.gz XHIRSBLKGYPJAM-CVKSISIWSA-N 0 1 555.581 6.693 40 10 KKCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccccc1Sc1ccc(Cl)cc1 ZINC000409221257 1072999660 /nfs/dbraw/zinc/99/96/60/1072999660.db2.gz NONNLMDONOBEEN-UNOMPAQXSA-N 0 1 518.969 6.341 40 10 KKCBMN CC[NH+](CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4C)C3=O)c2C)cc1 ZINC000409227886 1073029922 /nfs/dbraw/zinc/02/99/22/1073029922.db2.gz SMNYQNZAPRKVJT-XQNSMLJCSA-N 0 1 505.018 5.569 40 10 KKCBMN Cc1ccc(-c2ccc(/C=C3/C(=O)NC(=S)N(c4ccc(C(C)C)cc4)C3=O)o2)c(Br)c1 ZINC000409237214 1073033033 /nfs/dbraw/zinc/03/30/33/1073033033.db2.gz IJPIJLPWFQEVCD-MOSHPQCFSA-N 0 1 509.425 5.972 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000409235261 1073046091 /nfs/dbraw/zinc/04/60/91/1073046091.db2.gz AWHZNIWKGUHLOQ-UXHLAJHPSA-N 0 1 567.686 6.767 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000409233657 1073055349 /nfs/dbraw/zinc/05/53/49/1073055349.db2.gz LRLCYMNIWYMORX-OGLMXYFKSA-N 0 1 614.565 6.884 40 10 KKCBMN Cc1ccccc1N1C(=O)/C(=C/c2cn(Cc3cccc4ccccc43)c3ccccc23)C(=O)NC1=S ZINC000409232331 1073062367 /nfs/dbraw/zinc/06/23/67/1073062367.db2.gz NXHUNLODWRDGMZ-YZSQISJMSA-N 0 1 501.611 5.983 40 10 KKCBMN Cc1cccc(NC(=O)Cn2cc(/C=C3\C(=O)NC(=S)N(c4ccccc4Cl)C3=O)c3ccccc32)c1 ZINC000409230959 1073067710 /nfs/dbraw/zinc/06/77/10/1073067710.db2.gz AHXBXYCFBSDZGW-KGENOOAVSA-N 0 1 529.021 5.073 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000409230325 1073070118 /nfs/dbraw/zinc/07/01/18/1073070118.db2.gz BZBREVODDFOSAA-WOJGMQOQSA-N 0 1 528.859 5.650 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(Br)cc3)C(=O)NC2=S)cc1Cl ZINC000409247153 1073071669 /nfs/dbraw/zinc/07/16/69/1073071669.db2.gz CDKHHTIPRVLMIT-WOJGMQOQSA-N 0 1 500.805 5.033 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccccc1Br ZINC000409246554 1073075648 /nfs/dbraw/zinc/07/56/48/1073075648.db2.gz CSPFUWIWEYAYQW-WOJGMQOQSA-N 0 1 548.384 5.707 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409246249 1073077369 /nfs/dbraw/zinc/07/73/69/1073077369.db2.gz GZZSTQYEUFPNQR-OGLMXYFKSA-N 0 1 570.114 6.775 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409246345 1073077696 /nfs/dbraw/zinc/07/76/96/1073077696.db2.gz BIHCEJGWVPCVKK-WPWMEQJKSA-N 0 1 582.707 6.602 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000409246194 1073078714 /nfs/dbraw/zinc/07/87/14/1073078714.db2.gz GFYHCDSWUUVNOB-YZSQISJMSA-N 0 1 539.632 5.952 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000409245831 1073080457 /nfs/dbraw/zinc/08/04/57/1073080457.db2.gz ZPRFVUXGOAAJHR-PCLIKHOPSA-N 0 1 629.207 7.080 40 10 KKCBMN CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)c1C)CCCC2 ZINC000409245811 1073080625 /nfs/dbraw/zinc/08/06/25/1073080625.db2.gz ZHMMFGZHTCKGFY-RCCKNPSSSA-N 0 1 547.702 5.351 40 10 KKCBMN CC(C)c1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C(=O)NC2=S)cc1 ZINC000409245911 1073081433 /nfs/dbraw/zinc/08/14/33/1073081433.db2.gz ATSGGBZJVWUZAM-MFKUBSTISA-N 0 1 524.602 5.553 40 10 KKCBMN CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)NC(=S)N(c4ccccc4C)C3=O)c2-c2ccccc2)cc1 ZINC000409245458 1073084168 /nfs/dbraw/zinc/08/41/68/1073084168.db2.gz TZHKKNOHMCFALK-SWKFRHMKSA-N 0 1 611.723 7.128 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccccc1Br ZINC000409244388 1073088903 /nfs/dbraw/zinc/08/89/03/1073088903.db2.gz BVLHNCLRQUBNPH-CPNJWEJPSA-N 0 1 508.441 5.305 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1 ZINC000409241568 1073100747 /nfs/dbraw/zinc/10/07/47/1073100747.db2.gz YKDAHHYDVFKMNW-XKZIYDEJSA-N 0 1 534.410 5.423 40 10 KKCBMN Cc1ccccc1N1C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)NC1=S ZINC000409237644 1073125478 /nfs/dbraw/zinc/12/54/78/1073125478.db2.gz KLIOILXHLNUJTB-CIAFOILYSA-N 0 1 520.441 6.136 40 10 KKCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)s1 ZINC000409237501 1073126498 /nfs/dbraw/zinc/12/64/98/1073126498.db2.gz UVYFXBODOJQLJR-GZTJUZNOSA-N 0 1 524.998 6.403 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000409251005 1073132262 /nfs/dbraw/zinc/13/22/62/1073132262.db2.gz SMNDPTVGAGUHAU-DEDYPNTBSA-N 0 1 516.966 5.083 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409250030 1073137592 /nfs/dbraw/zinc/13/75/92/1073137592.db2.gz VUZSOYMARLVOFF-VTNSRFBWSA-N 0 1 577.794 7.517 40 10 KKCBMN CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)NC(=S)N(c4ccc(C(C)C)cc4)C3=O)c2-c2ccccc2)cc1 ZINC000409249008 1073144258 /nfs/dbraw/zinc/14/42/58/1073144258.db2.gz RWQBMWQEPMTMPE-SNCSUOKWSA-N 0 1 639.777 7.943 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCC ZINC000409247508 1073154595 /nfs/dbraw/zinc/15/45/95/1073154595.db2.gz CREVAKIQKYWLIG-OVCLIPMQSA-N 0 1 523.836 5.040 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409257152 1073158570 /nfs/dbraw/zinc/15/85/70/1073158570.db2.gz RCXKYONLPXBDNU-NDENLUEZSA-N 0 1 661.905 5.192 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000409252956 1073183448 /nfs/dbraw/zinc/18/34/48/1073183448.db2.gz YHKUCVJDGCJDIY-YDZHTSKRSA-N 0 1 511.569 6.068 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc2c(c1)CCN2Cc1ccccc1Cl ZINC000002337071 1073200021 /nfs/dbraw/zinc/20/00/21/1073200021.db2.gz SSKOUAXKAQJMBG-BKUYFWCQSA-N 0 1 508.430 5.387 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409262585 1073220686 /nfs/dbraw/zinc/22/06/86/1073220686.db2.gz IBDRLWVWSXQBAY-GRSHGNNSSA-N 0 1 570.454 5.159 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409269182 1073279002 /nfs/dbraw/zinc/27/90/02/1073279002.db2.gz GRBKOSOUAWLYBW-BKUYFWCQSA-N 0 1 655.514 5.156 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408850490 195488329 /nfs/dbraw/zinc/48/83/29/195488329.db2.gz OCAZMIKDHNVTQZ-GZTJUZNOSA-N 0 1 607.269 6.074 40 10 KKCBMN O=C1C(=Cc2cc(Br)cc(Br)c2O)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000002029920 551736804 /nfs/dbraw/zinc/73/68/04/551736804.db2.gz HPEZEPDGBZRJHF-UHFFFAOYSA-N 0 1 558.251 5.666 40 10 KKCBMN COc1ccc2c(c1)C=C[C@H]1N2[C@@H](C(=O)C(C)(C)C)[C@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12 ZINC000009111076 553210287 /nfs/dbraw/zinc/21/02/87/553210287.db2.gz IZIAOPADRCMXMO-YDCVZUCISA-N 0 1 506.602 5.284 40 10 KKCBMN CN(C)c1ccc([C@@H](c2cc3c(cc2O)OCO3)N2CCN([C@@H](c3ccc(N(C)C)cc3)c3cc4c(cc3O)OCO4)CC2)cc1 ZINC000022858894 553761871 /nfs/dbraw/zinc/76/18/71/553761871.db2.gz JSZKYZMDMWPTKW-ZPGRZCPFSA-N 0 1 624.738 5.184 40 10 KKCBMN O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1 ZINC000028206698 553838233 /nfs/dbraw/zinc/83/82/33/553838233.db2.gz KYPJULQYCDOPBP-UHFFFAOYSA-N 0 1 517.006 5.575 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(-c2ccc(Br)c(Cl)c2)o1 ZINC000059136275 554382244 /nfs/dbraw/zinc/38/22/44/554382244.db2.gz NQZHUGFFEOEFHT-JLHYYAGUSA-N 0 1 505.752 6.173 40 10 KKCBMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000059137195 554382580 /nfs/dbraw/zinc/38/25/80/554382580.db2.gz BIRBJWYVAQKPJA-UDWIEESQSA-N 0 1 512.404 5.976 40 10 KKCBMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(-c3c(O)ccc4ccccc43)c(O)c3ccccc23)ccc1Cl ZINC000102395790 554919178 /nfs/dbraw/zinc/91/91/78/554919178.db2.gz SDGSTBGHXIIKAR-UHFFFAOYSA-N 0 1 520.950 6.434 40 10 KKCBMN CCCCCc1ccc(C(=O)[C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccc(OC)cc4C=C[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103060537 555241792 /nfs/dbraw/zinc/24/17/92/555241792.db2.gz QDRHTFDQEJVLLQ-FXGRCBAUSA-N 0 1 576.737 7.016 40 10 KKCBMN COc1ccc2c(c1)C=C[C@H]1N2[C@@H](C(=O)C(C)(C)C)[C@H](C(=O)c2ccc(CC(C)C)cc2)[C@]12c1ccccc1NC2=O ZINC000103541273 555438453 /nfs/dbraw/zinc/43/84/53/555438453.db2.gz CGJABXVVKWJQAL-HFZZWTFOSA-N 0 1 562.710 6.482 40 10 KKCBMN O=C1C(=Cc2ccc(N3CCN(Cc4ccccc4)CC3)c([N+](=O)[O-])c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000103761598 555471717 /nfs/dbraw/zinc/47/17/17/555471717.db2.gz GPTRSYCFWKYWLB-UHFFFAOYSA-N 0 1 603.704 5.665 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000103850954 571364791 /nfs/dbraw/zinc/36/47/91/571364791.db2.gz AKAGBPPGOJAHQU-MHWRWJLKSA-N 0 1 590.268 5.761 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccccc1 ZINC000103850959 571364854 /nfs/dbraw/zinc/36/48/54/571364854.db2.gz XHCPTUXGJPUYRD-GZTJUZNOSA-N 0 1 541.398 5.007 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccccc1 ZINC000103851122 571364862 /nfs/dbraw/zinc/36/48/62/571364862.db2.gz SDRUCWKPXFYDKP-LDADJPATSA-N 0 1 555.425 5.397 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000103851519 571364967 /nfs/dbraw/zinc/36/49/67/571364967.db2.gz DFHHQRQUEXDLPG-OQLLNIDSSA-N 0 1 580.262 6.305 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 ZINC000103851807 571365125 /nfs/dbraw/zinc/36/51/25/571365125.db2.gz KFQBKWCISROWHB-OQLLNIDSSA-N 0 1 519.356 5.682 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000103852191 571365354 /nfs/dbraw/zinc/36/53/54/571365354.db2.gz KBIXUPKGYFIBDD-LZYBPNLTSA-N 0 1 610.288 6.314 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000103852495 571365512 /nfs/dbraw/zinc/36/55/12/571365512.db2.gz PPBJCLQCRQWWEP-GZTJUZNOSA-N 0 1 545.419 5.942 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc(I)cc1 ZINC000103852264 571365522 /nfs/dbraw/zinc/36/55/22/571365522.db2.gz VYVSVIVDBIAXMD-CPNJWEJPSA-N 0 1 602.425 5.239 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000103860355 571367430 /nfs/dbraw/zinc/36/74/30/571367430.db2.gz PMSSCGQWGIEJNW-WKULSOCRSA-N 0 1 614.609 7.156 40 10 KKCBMN COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)ccc4OC)cc3[C@H]3C=CC[C@H]32)c1 ZINC000104649802 571383180 /nfs/dbraw/zinc/38/31/80/571383180.db2.gz QZMYWQYTGRZFGD-VKIDHGPPSA-N 0 1 527.042 5.993 40 10 KKCBMN Cc1ccc(OCCn2cc(/C=C3\C(=O)NC(=O)N(Cc4ccco4)C3=O)c3cc(Br)ccc32)cc1C ZINC000104881970 571387050 /nfs/dbraw/zinc/38/70/50/571387050.db2.gz JRJLPELVSIOFKI-ZMOGYAJESA-N 0 1 562.420 5.355 40 10 KKCBMN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1F)c1ccc(Cl)cc1 ZINC000113516470 571439782 /nfs/dbraw/zinc/43/97/82/571439782.db2.gz IPZROEBLHNVAIS-UHFFFAOYSA-N 0 1 543.403 6.417 40 10 KKCBMN O=S(=O)(Nc1cc(Cl)c(NS(=O)(=O)c2cc(Br)ccc2Br)c(Cl)c1)c1cc(Br)ccc1Br ZINC000150343319 571458904 /nfs/dbraw/zinc/45/89/04/571458904.db2.gz AYYSJJRKHMIUFH-UHFFFAOYSA-N 0 1 772.944 7.645 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(I)c1 ZINC000164394094 571547056 /nfs/dbraw/zinc/54/70/56/571547056.db2.gz IUVCNWDXMWOMTB-CXUHLZMHSA-N 0 1 716.164 6.366 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccc(I)cc1 ZINC000164404285 571547151 /nfs/dbraw/zinc/54/71/51/571547151.db2.gz YNNZGJXGQOJHNT-WOJGMQOQSA-N 0 1 636.870 5.893 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1 ZINC000164399558 571547248 /nfs/dbraw/zinc/54/72/48/571547248.db2.gz QWLVNZSIPNMZEI-UDWIEESQSA-N 0 1 734.328 6.598 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000164405749 571547264 /nfs/dbraw/zinc/54/72/64/571547264.db2.gz DPVQPROPNROQGW-WOJGMQOQSA-N 0 1 681.321 6.002 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000164405489 571547288 /nfs/dbraw/zinc/54/72/88/571547288.db2.gz FWMDYXHVROEJDG-RQZCQDPDSA-N 0 1 671.315 6.546 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccc2ccccc2c1 ZINC000164407304 571547422 /nfs/dbraw/zinc/54/74/22/571547422.db2.gz GDXCPPGJMIYBIY-HYARGMPZSA-N 0 1 652.485 6.393 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000164478910 571548816 /nfs/dbraw/zinc/54/88/16/571548816.db2.gz SHWLMNRKEZRNIZ-LZYBPNLTSA-N 0 1 678.271 5.660 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000164481163 571548910 /nfs/dbraw/zinc/54/89/10/571548910.db2.gz VZLSGLJGWGLHKN-JVWAILMASA-N 0 1 665.407 7.029 40 10 KKCBMN CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)cc2[C@H](C)CC1(C)C ZINC000208307112 571573847 /nfs/dbraw/zinc/57/38/47/571573847.db2.gz FIKQDEHKFOWHMU-RFRKOGIWSA-N 0 1 502.467 5.937 40 10 KKCBMN CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Br)c4)C3=O)cc2[C@H](C)CC1(C)C ZINC000208306763 571573870 /nfs/dbraw/zinc/57/38/70/571573870.db2.gz UXTPVWHRYMOYKG-RVZJCZPVSA-N 0 1 512.473 5.393 40 10 KKCBMN Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3cccc(Br)c3)C1=O)C(C)=CC(C)(C)N2C ZINC000208450597 571574476 /nfs/dbraw/zinc/57/44/76/571574476.db2.gz OBUJDEVNGABGNP-RGVLZGJSSA-N 0 1 510.457 5.221 40 10 KKCBMN CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=S)N(c4cccc(Br)c4)C3=O)cc21 ZINC000208468732 571574507 /nfs/dbraw/zinc/57/45/07/571574507.db2.gz ZPQQRPJGDXJSPD-GIJQJNRQSA-N 0 1 530.875 5.566 40 10 KKCBMN CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)cc2C(C)=CC1(C)C ZINC000208523419 571574628 /nfs/dbraw/zinc/57/46/28/571574628.db2.gz DGTYUJLBSHLTDB-FYJGNVAPSA-N 0 1 524.484 5.611 40 10 KKCBMN Cc1[nH]n(-c2ccc(Br)c(C)c2)c(=O)c1C=Nc1c(C)c(C)c(Br)cc1[N+](=O)[O-] ZINC000408527115 572159509 /nfs/dbraw/zinc/15/95/09/572159509.db2.gz FAHDLZORKMGQFM-DHDCSXOGSA-N 0 1 522.197 5.764 40 10 KKCBMN CCOc1cc(COc2c(Cl)cc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2Cl)ccc1OCc1ccccc1 ZINC000408540209 572205150 /nfs/dbraw/zinc/20/51/50/572205150.db2.gz OQBZYKYVXOJPPL-MYYYXRDXSA-N 0 1 633.553 7.381 40 10 KKCBMN C[C@H]1Cc2cc(S(=O)(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)ccc2N1C(=O)c1ccccc1 ZINC000408713530 1069735758 /nfs/dbraw/zinc/73/57/58/1069735758.db2.gz GGWJMMNUONLNIW-IBGZPJMESA-N 0 1 531.033 5.963 40 10 KKCBMN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)NC1=S ZINC000408743229 1069736886 /nfs/dbraw/zinc/73/68/86/1069736886.db2.gz VMTQAHBTIPQURX-GZTJUZNOSA-N 0 1 501.789 5.502 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000408781189 1069740638 /nfs/dbraw/zinc/74/06/38/1069740638.db2.gz BHEDPGSYCASHCT-CAOOACKPSA-N 0 1 671.194 6.937 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1Cc1ccccc1Cl ZINC000408872033 1069748179 /nfs/dbraw/zinc/74/81/79/1069748179.db2.gz JHPSAVXBUPSOED-NDENLUEZSA-N 0 1 511.430 5.814 40 10 KKCBMN Cc1ccc(Sc2oc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)cc2Br)cc1 ZINC000408914565 1069754247 /nfs/dbraw/zinc/75/42/47/1069754247.db2.gz QTZJMGMFWKGLDW-LICLKQGHSA-N 0 1 533.856 5.986 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000408966148 1069764076 /nfs/dbraw/zinc/76/40/76/1069764076.db2.gz LNSINJWUUOQNHX-ZDLGFXPLSA-N 0 1 579.822 5.323 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4ccc(Br)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409136486 1069787151 /nfs/dbraw/zinc/78/71/51/1069787151.db2.gz RKBKYWUOOJJLJQ-YDZHTSKRSA-N 0 1 749.396 6.491 40 10 KKCBMN CCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(Br)cc4C)C3=O)c2C)cc1 ZINC000408758487 1069851126 /nfs/dbraw/zinc/85/11/26/1069851126.db2.gz KWFIKRBMLYYYMW-HYARGMPZSA-N 0 1 522.468 5.559 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000408785964 1069919724 /nfs/dbraw/zinc/91/97/24/1069919724.db2.gz CSYIFCUMAHFHPQ-YBFXNURJSA-N 0 1 602.304 5.631 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)C(=O)NC2=S)cc1Cl ZINC000408807699 1069957419 /nfs/dbraw/zinc/95/74/19/1069957419.db2.gz DRDANAHMPMOGTP-RGVLZGJSSA-N 0 1 554.886 6.790 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408818214 1069976231 /nfs/dbraw/zinc/97/62/31/1069976231.db2.gz ZRWKQZAYVPDSNT-WSDLNYQXSA-N 0 1 555.483 6.419 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000408845494 1070052150 /nfs/dbraw/zinc/05/21/50/1070052150.db2.gz HIQKIPFALCHJEM-OVCLIPMQSA-N 0 1 597.263 6.619 40 10 KKCBMN CCOc1cc(Br)c(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OCC ZINC000408847759 1070056522 /nfs/dbraw/zinc/05/65/22/1070056522.db2.gz RIRYAFYESSZJRS-XYOKQWHBSA-N 0 1 544.254 5.385 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1cc(Cl)ccc1Cl ZINC000408853276 1070061215 /nfs/dbraw/zinc/06/12/15/1070061215.db2.gz QNKJBTMTCZURHM-OQLLNIDSSA-N 0 1 539.271 6.539 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408850749 1070064919 /nfs/dbraw/zinc/06/49/19/1070064919.db2.gz DRCXQMQVCNVTFR-SXGWCWSVSA-N 0 1 673.743 6.670 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(Br)cc1OCc1cccc2ccccc21 ZINC000408853950 1070071348 /nfs/dbraw/zinc/07/13/48/1070071348.db2.gz UCSKUHONSQBVTN-UDWIEESQSA-N 0 1 642.358 7.328 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000408853533 1070070441 /nfs/dbraw/zinc/07/04/41/1070070441.db2.gz VBIYCFWGOGGLOJ-XDHOZWIPSA-N 0 1 551.411 5.736 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000408853467 1070070617 /nfs/dbraw/zinc/07/06/17/1070070617.db2.gz UBULHJSRQZUPNY-OVCLIPMQSA-N 0 1 686.165 6.837 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000408854064 1070071971 /nfs/dbraw/zinc/07/19/71/1070071971.db2.gz WUOJYQXDKVQBPZ-XFXZXTDPSA-N 0 1 512.201 6.392 40 10 KKCBMN CCc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c1C ZINC000408856367 1070075133 /nfs/dbraw/zinc/07/51/33/1070075133.db2.gz HSNAWQGMWWBNMO-CPNJWEJPSA-N 0 1 512.462 6.103 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408859457 1070076037 /nfs/dbraw/zinc/07/60/37/1070076037.db2.gz XRPLGLXKYRITSY-FYJGNVAPSA-N 0 1 611.934 7.609 40 10 KKCBMN Cc1cc(C)cc(Cc2ccc(Br)cc2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c1 ZINC000408871784 1070096495 /nfs/dbraw/zinc/09/64/95/1070096495.db2.gz ZOMCNQQMMBZVOJ-HAHDFKILSA-N 0 1 505.437 5.488 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1ccc(F)cc1 ZINC000408916484 1070220465 /nfs/dbraw/zinc/22/04/65/1070220465.db2.gz DDZQKBDGBNVHED-GRSHGNNSSA-N 0 1 559.388 5.146 40 10 KKCBMN CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(F)c(Cl)c4)C3=O)c1C)CCCC2 ZINC000408966433 1070325974 /nfs/dbraw/zinc/32/59/74/1070325974.db2.gz MSBHISRBYQZGFS-XDHOZWIPSA-N 0 1 586.110 5.835 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)[C@H]7CCCC[C@@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)c(C)c1 ZINC000408987420 1070350027 /nfs/dbraw/zinc/35/00/27/1070350027.db2.gz AZZSWQTYRQYNFM-FGKIGFKSSA-N 0 1 697.820 6.483 40 10 KKCBMN Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(/C=C5/C(=O)NC(=S)N(c6cc(C)cc(C)c6)C5=O)cc4[N+](=O)[O-])sc3c2)cc1 ZINC000408988668 1070360755 /nfs/dbraw/zinc/36/07/55/1070360755.db2.gz FMEIDWXTKOFXFU-MFKUBSTISA-N 0 1 679.805 7.365 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409021806 1070398493 /nfs/dbraw/zinc/39/84/93/1070398493.db2.gz ZIILSQUSWOWUOT-IPPBACCNSA-N 0 1 553.703 6.532 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(Cl)c4Cl)o3)C(=O)NC2=S)c(OC)c1 ZINC000409070269 1070495765 /nfs/dbraw/zinc/49/57/65/1070495765.db2.gz FFNJQXYOMPWVBI-GDNBJRDFSA-N 0 1 503.363 5.102 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1cc(Cl)ccc1Cl ZINC000409095592 1070529210 /nfs/dbraw/zinc/52/92/10/1070529210.db2.gz HZGPIVYCIXFTAC-LICLKQGHSA-N 0 1 518.853 6.194 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000409098442 1070531426 /nfs/dbraw/zinc/53/14/26/1070531426.db2.gz LOYMPCKCFULMDL-OEAKJJBVSA-N 0 1 588.045 5.983 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4ccc(F)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409129298 1070556081 /nfs/dbraw/zinc/55/60/81/1070556081.db2.gz JGBHFXBPXKVAST-YDZHTSKRSA-N 0 1 688.490 5.867 40 10 KKCBMN Cc1cccc(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)C(=O)NC2=S)c1C ZINC000409145300 1070573225 /nfs/dbraw/zinc/57/32/25/1070573225.db2.gz QAJWSXPQWLQWGT-WSDLNYQXSA-N 0 1 534.468 6.445 40 10 KKCBMN O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(Cc2c(F)cccc2Cl)c2ccc(Br)cc12 ZINC000409146153 1070573957 /nfs/dbraw/zinc/57/39/57/1070573957.db2.gz QZQSHKWVERIRJU-RGVLZGJSSA-N 0 1 566.814 5.907 40 10 KKCBMN CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4OC)C3=O)c1C)CCCC2 ZINC000409173559 1070588831 /nfs/dbraw/zinc/58/88/31/1070588831.db2.gz LWNGOJLSFRKDQP-HMMYKYKNSA-N 0 1 563.701 5.051 40 10 KKCBMN COc1ccccc1N1C(=O)/C(=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)C(=O)NC1=S ZINC000409171620 1070587259 /nfs/dbraw/zinc/58/72/59/1070587259.db2.gz BDRVTXRFRVAYAX-XNTDXEJSSA-N 0 1 549.855 5.687 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC)c(Cl)c3)C2=O)cc1OCC ZINC000409190739 1070607733 /nfs/dbraw/zinc/60/77/33/1070607733.db2.gz VUIXGMYRENEOOZ-LICLKQGHSA-N 0 1 521.397 5.242 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Cl)cc(Cl)c3OCc3ccccc3F)C2=O)cc1OCC ZINC000409195977 1070615711 /nfs/dbraw/zinc/61/57/11/1070615711.db2.gz XTUVWVRROGDFFB-HYARGMPZSA-N 0 1 601.458 6.561 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc(Br)c1OC(C)C ZINC000409221530 1070648573 /nfs/dbraw/zinc/64/85/73/1070648573.db2.gz RPIKSGXXYQVTKN-NTEUORMPSA-N 0 1 523.836 5.120 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000409244660 1070661997 /nfs/dbraw/zinc/66/19/97/1070661997.db2.gz GXXXIHFDFGOABY-CPNJWEJPSA-N 0 1 506.414 5.828 40 10 KKCBMN Cc1ccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c3ccccc32)cc1 ZINC000409243170 1070671380 /nfs/dbraw/zinc/67/13/80/1070671380.db2.gz ZLHMNABUQHKBMH-YDZHTSKRSA-N 0 1 519.548 5.848 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000408879435 1070794759 /nfs/dbraw/zinc/79/47/59/1070794759.db2.gz GETIFZIEIRCHLG-ZDLGFXPLSA-N 0 1 517.821 6.057 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408878963 1070797503 /nfs/dbraw/zinc/79/75/03/1070797503.db2.gz BZSLYSIHLQLLOF-NDENLUEZSA-N 0 1 555.425 5.397 40 10 KKCBMN Cc1cc(C)cc(COc2ccc(Br)cc2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c1 ZINC000408894657 1070850882 /nfs/dbraw/zinc/85/08/82/1070850882.db2.gz KCGYZFUDGOPNGA-HMAPJEAMSA-N 0 1 521.436 5.476 40 10 KKCBMN O=C1/C(=C/c2cc(I)c(O)c(I)c2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000409335416 1070855857 /nfs/dbraw/zinc/85/58/57/1070855857.db2.gz ZUZLBWSHYAEKHI-MLPAPPSSSA-N 0 1 633.192 6.026 40 10 KKCBMN O=C(NN1C(=O)/C(=C/c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)SC1=S)c1cccs1 ZINC000409348268 1070865322 /nfs/dbraw/zinc/86/53/22/1070865322.db2.gz RURBJIIVQXEKDC-NHDPSOOVSA-N 0 1 544.510 6.604 40 10 KKCBMN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409351249 1070869923 /nfs/dbraw/zinc/86/99/23/1070869923.db2.gz ZYBUAUQDMISASR-CIAFOILYSA-N 0 1 574.105 5.364 40 10 KKCBMN COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409345166 1070876211 /nfs/dbraw/zinc/87/62/11/1070876211.db2.gz KOFZWAVVEBGIHX-OEAKJJBVSA-N 0 1 611.564 6.798 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000409372606 1070896174 /nfs/dbraw/zinc/89/61/74/1070896174.db2.gz MJHFPVPTYBMTGU-REZTVBANSA-N 0 1 580.218 5.599 40 10 KKCBMN CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(CC)cc4)C3=O)c1C)CCCC2 ZINC000409382367 1070899705 /nfs/dbraw/zinc/89/97/05/1070899705.db2.gz KSUSUMPJTQHEOR-XQNSMLJCSA-N 0 1 561.729 5.605 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409374422 1070897536 /nfs/dbraw/zinc/89/75/36/1070897536.db2.gz PDTGKJOHHWVRIE-YDZHTSKRSA-N 0 1 575.415 5.835 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)c(I)c3)C(=O)NC2=S)cc1 ZINC000409382425 1070899972 /nfs/dbraw/zinc/89/99/72/1070899972.db2.gz MEVFLONXSCUUFY-FYJGNVAPSA-N 0 1 586.426 5.403 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C(=O)NC2=S)cc1 ZINC000409378770 1070905335 /nfs/dbraw/zinc/90/53/35/1070905335.db2.gz RNGGNHAMSDUUBW-HYARGMPZSA-N 0 1 566.433 5.330 40 10 KKCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000409400881 1070915678 /nfs/dbraw/zinc/91/56/78/1070915678.db2.gz UUHJUOHDIYCIEO-ZDLGFXPLSA-N 0 1 518.194 5.796 40 10 KKCBMN CCOc1cccc(N2C(=O)/C(=C/c3cc(Br)c(Sc4ccc(C)cc4)o3)C(=O)NC2=S)c1 ZINC000408910392 1070970209 /nfs/dbraw/zinc/97/02/09/1070970209.db2.gz JZGOZCJPHVNSGJ-XDHOZWIPSA-N 0 1 543.464 5.732 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000408917516 1071147305 /nfs/dbraw/zinc/14/73/05/1071147305.db2.gz WBOLBJGEQNCHLX-ODLFYWEKSA-N 0 1 528.964 5.427 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1cccc(C)c1 ZINC000408917414 1071149805 /nfs/dbraw/zinc/14/98/05/1071149805.db2.gz UCWZOLWYEWVWCW-JAIQZWGSSA-N 0 1 555.425 5.316 40 10 KKCBMN CC[NH+](CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)c2C)cc1 ZINC000408956093 1071380532 /nfs/dbraw/zinc/38/05/32/1071380532.db2.gz VYJFLKSZKDOJRV-HNSNBQBZSA-N 0 1 590.768 7.075 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000408692633 1071394242 /nfs/dbraw/zinc/39/42/42/1071394242.db2.gz RFYGRYCJCHELGR-PCLIKHOPSA-N 0 1 501.558 5.217 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408692279 1071396095 /nfs/dbraw/zinc/39/60/95/1071396095.db2.gz JACPPGBTBYGHIM-WOJGMQOQSA-N 0 1 547.833 5.485 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000408692012 1071396523 /nfs/dbraw/zinc/39/65/23/1071396523.db2.gz BGMQDGZSVOVJLH-UDWIEESQSA-N 0 1 527.415 5.140 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408963892 1071420919 /nfs/dbraw/zinc/42/09/19/1071420919.db2.gz AQAYVZSEFFJWPK-ZVHZXABRSA-N 0 1 607.088 6.777 40 10 KKCBMN CCc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c1C ZINC000408960606 1071431837 /nfs/dbraw/zinc/43/18/37/1071431837.db2.gz NEESFWZSVVTFGA-HYARGMPZSA-N 0 1 536.495 5.867 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000408968429 1071461528 /nfs/dbraw/zinc/46/15/28/1071461528.db2.gz YTSMYZDEZWXNGG-AFUMVMLFSA-N 0 1 594.495 6.950 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000408968486 1071462122 /nfs/dbraw/zinc/46/21/22/1071462122.db2.gz ZNCIQGQTTKGTFX-LZYBPNLTSA-N 0 1 533.368 5.280 40 10 KKCBMN C[C@@H]1Cc2cc(S(=O)(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)ccc2N1C(=O)c1ccccc1 ZINC000408713531 1071479363 /nfs/dbraw/zinc/47/93/63/1071479363.db2.gz GGWJMMNUONLNIW-LJQANCHMSA-N 0 1 531.033 5.963 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408723627 1071527602 /nfs/dbraw/zinc/52/76/02/1071527602.db2.gz YIUSCYZPYIKWDX-SRZZPIQSSA-N 0 1 642.358 7.328 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408723591 1071527665 /nfs/dbraw/zinc/52/76/65/1071527665.db2.gz XJMXERHUNRPNQZ-CAOOACKPSA-N 0 1 647.847 5.941 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408723460 1071528195 /nfs/dbraw/zinc/52/81/95/1071528195.db2.gz VIOANZMUPCMZAB-MKMNVTDBSA-N 0 1 715.265 6.047 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408723228 1071530375 /nfs/dbraw/zinc/53/03/75/1071530375.db2.gz RLOQMBNLKHUAPT-KEBDBYFISA-N 0 1 606.325 6.565 40 10 KKCBMN O=C1NC(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1cc(I)c(OCc2ccccc2)c(I)c1 ZINC000408723219 1071530444 /nfs/dbraw/zinc/53/04/44/1071530444.db2.gz RIIZHRABDVTEFY-LZYBPNLTSA-N 0 1 735.168 6.613 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408722291 1071534430 /nfs/dbraw/zinc/53/44/30/1071534430.db2.gz GPWXJEQYTUAMOU-DJKKODMXSA-N 0 1 592.298 6.175 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408722280 1071534587 /nfs/dbraw/zinc/53/45/87/1071534587.db2.gz GJALMWSRLLZVTJ-ZVHZXABRSA-N 0 1 621.940 7.065 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408722110 1071535105 /nfs/dbraw/zinc/53/51/05/1071535105.db2.gz DWPHXKNYVIXKAZ-DJKKODMXSA-N 0 1 639.298 6.017 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408722055 1071536355 /nfs/dbraw/zinc/53/63/55/1071536355.db2.gz CQTUWFJXHUQSDM-LZYBPNLTSA-N 0 1 633.820 5.551 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408992760 1071571163 /nfs/dbraw/zinc/57/11/63/1071571163.db2.gz BQBWAYLUBRRJOC-CXUHLZMHSA-N 0 1 750.090 7.700 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(NC(=O)c6ccccc6C)cc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)c(C)c1 ZINC000408992307 1071574156 /nfs/dbraw/zinc/57/41/56/1071574156.db2.gz ROAGCUGBDQZHNX-BUVRLJJBSA-N 0 1 679.805 7.365 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)C(=O)NC2=S)cc1C ZINC000408991932 1071576128 /nfs/dbraw/zinc/57/61/28/1071576128.db2.gz PFPOIJUPLAEZOO-GZTJUZNOSA-N 0 1 536.616 5.397 40 10 KKCBMN CCOc1ccc2nc(Sc3ccc(/C=C4/C(=O)NC(=S)N(c5cc(C)cc(C)c5)C4=O)cc3[N+](=O)[O-])sc2c1 ZINC000408990748 1071586453 /nfs/dbraw/zinc/58/64/53/1071586453.db2.gz LQVXMCAKLYZXKT-UDWIEESQSA-N 0 1 590.708 6.203 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(NC(=O)c6ccccc6C)cc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1 ZINC000408989740 1071594759 /nfs/dbraw/zinc/59/47/59/1071594759.db2.gz IRPBAKTWKMFZIS-BUVRLJJBSA-N 0 1 665.778 7.056 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(Sc2cccc3cccnc32)c([N+](=O)[O-])c1 ZINC000408989384 1071598322 /nfs/dbraw/zinc/59/83/22/1071598322.db2.gz HQDHPSBGLKXAEN-XMHGGMMESA-N 0 1 512.572 5.126 40 10 KKCBMN CCOc1cccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(OCC)c3)C(=O)NC2=S)c1 ZINC000408739406 1071603753 /nfs/dbraw/zinc/60/37/53/1071603753.db2.gz BNVVANQLWZXRBG-UFFVCSGVSA-N 0 1 650.378 6.964 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408739775 1071601502 /nfs/dbraw/zinc/60/15/02/1071601502.db2.gz AIOHAQRWUMBZIX-KEBDBYFISA-N 0 1 620.352 6.873 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(SCC(=O)Nc4ccccc4)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1Cl ZINC000408988793 1071602547 /nfs/dbraw/zinc/60/25/47/1071602547.db2.gz FYTZEZHWVSFUMR-YBFXNURJSA-N 0 1 567.048 5.119 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)[C@@H]7CCCC[C@@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1Cl ZINC000408988101 1071606793 /nfs/dbraw/zinc/60/67/93/1071606793.db2.gz CNTPEVJONPFKEC-URTFQFMYSA-N 0 1 718.238 6.828 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408743626 1071617765 /nfs/dbraw/zinc/61/77/65/1071617765.db2.gz WKIABFHVCDHALE-FMCGGJTJSA-N 0 1 652.364 6.784 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000408742712 1071620092 /nfs/dbraw/zinc/62/00/92/1071620092.db2.gz SGQLMYPAJLDDKU-NDENLUEZSA-N 0 1 573.310 5.759 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000408740793 1071628405 /nfs/dbraw/zinc/62/84/05/1071628405.db2.gz IDCNUZTXNUQJLF-JAIQZWGSSA-N 0 1 514.832 5.341 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408742101 1071622211 /nfs/dbraw/zinc/62/22/11/1071622211.db2.gz PGZLMWSABKQNLX-NVMNQCDNSA-N 0 1 636.749 6.284 40 10 KKCBMN CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)c2-c2ccccc2)cc1 ZINC000408741722 1071623835 /nfs/dbraw/zinc/62/38/35/1071623835.db2.gz KUAZMDTWBWCHPN-JBASAIQMSA-N 0 1 583.713 7.350 40 10 KKCBMN CCOc1cccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4ccccc4Cl)c(OC)c3)C(=O)NC2=S)c1 ZINC000408741702 1071623940 /nfs/dbraw/zinc/62/39/40/1071623940.db2.gz NITQXZFQGPYPOM-JAIQZWGSSA-N 0 1 601.906 5.920 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000408741776 1071624545 /nfs/dbraw/zinc/62/45/45/1071624545.db2.gz NTMUEJNGLJZXGL-USHMODERSA-N 0 1 604.529 7.405 40 10 KKCBMN Cc1cccc(N2C(=O)/C(=C/c3cc(-c4ccccc4)n(-c4ccccc4)c3-c3ccccc3)C(=O)NC2=S)c1 ZINC000408741433 1071625631 /nfs/dbraw/zinc/62/56/31/1071625631.db2.gz PTLHHLURMZTTEH-XHLNEMQHSA-N 0 1 539.660 6.951 40 10 KKCBMN Cc1ccc(-c2ccc(/C=C3/C(=O)NC(=S)N(c4cccc(Br)c4)C3=O)o2)c(Br)c1 ZINC000408740641 1071629027 /nfs/dbraw/zinc/62/90/27/1071629027.db2.gz HTVJZZUJZXLKKB-BOPFTXTBSA-N 0 1 546.240 5.611 40 10 KKCBMN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(-c3ccc(I)cc3)o2)C(=O)NC1=S ZINC000408740387 1071630200 /nfs/dbraw/zinc/63/02/00/1071630200.db2.gz GAZYUVJESQNCTH-GZTJUZNOSA-N 0 1 593.240 5.453 40 10 KKCBMN Cc1cc(Br)ccc1N1C(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)C(=O)NC1=S ZINC000408740105 1071632000 /nfs/dbraw/zinc/63/20/00/1071632000.db2.gz DNUHMQQMEJIWGJ-USHMODERSA-N 0 1 653.001 8.367 40 10 KKCBMN CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(Br)cc4C)C3=O)c2C)cc1 ZINC000408739995 1071632787 /nfs/dbraw/zinc/63/27/87/1071632787.db2.gz CGVIXAPCZLMESH-HYARGMPZSA-N 0 1 566.477 5.173 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409002178 1071641814 /nfs/dbraw/zinc/64/18/14/1071641814.db2.gz YQLJUGFVRBNMPG-MHWRWJLKSA-N 0 1 671.194 6.937 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(I)cc4)cc3)C(=O)NC2=S)cc1C ZINC000408998977 1071656908 /nfs/dbraw/zinc/65/69/08/1071656908.db2.gz VOLXYEHNDFWYEC-OEAKJJBVSA-N 0 1 568.436 5.318 40 10 KKCBMN Cc1cccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)c3ccccc32)c1 ZINC000408998884 1071657952 /nfs/dbraw/zinc/65/79/52/1071657952.db2.gz JGVYTBXUAHUQNP-DEDYPNTBSA-N 0 1 520.441 6.136 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1cccc(I)c1 ZINC000409016406 1071668329 /nfs/dbraw/zinc/66/83/29/1071668329.db2.gz CJCZUMMJBIVLIL-WSDLNYQXSA-N 0 1 555.441 5.147 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)C(=O)NC2=S)cc1 ZINC000409010804 1071690491 /nfs/dbraw/zinc/69/04/91/1071690491.db2.gz LNRDNXYBPOXRAG-YBFXNURJSA-N 0 1 500.407 5.241 40 10 KKCBMN O=C(Cn1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc21)Nc1ccccc1 ZINC000408758239 1071707320 /nfs/dbraw/zinc/70/73/20/1071707320.db2.gz HVHWUEFEALDSBG-NDENLUEZSA-N 0 1 549.439 5.418 40 10 KKCBMN O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1 ZINC000409022372 1071719768 /nfs/dbraw/zinc/71/97/68/1071719768.db2.gz MAEUOHWTRLDJEN-VEILYXNESA-N 0 1 622.519 7.544 40 10 KKCBMN Cc1cccc(NC(=O)Cn2cc(/C=C3\C(=O)NC(=S)N(c4cc(C)cc(C)c4)C3=O)c3ccccc32)c1 ZINC000409021251 1071723564 /nfs/dbraw/zinc/72/35/64/1071723564.db2.gz ZNEKLHJPGUQOHY-MFKUBSTISA-N 0 1 522.630 5.037 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408761441 1071739909 /nfs/dbraw/zinc/73/99/09/1071739909.db2.gz KGXRWBVMTZHOIR-BKUYFWCQSA-N 0 1 567.461 5.267 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000408775627 1071754607 /nfs/dbraw/zinc/75/46/07/1071754607.db2.gz JGYAQAMEHOTIGI-LPYMAVHISA-N 0 1 555.441 5.147 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408772794 1071771885 /nfs/dbraw/zinc/77/18/85/1071771885.db2.gz FSWJNBITNCLTHP-VULFUBBASA-N 0 1 604.603 7.700 40 10 KKCBMN CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)C(=O)NC2=S)cc1 ZINC000408770795 1071785033 /nfs/dbraw/zinc/78/50/33/1071785033.db2.gz AQPPNAJKZNMTMW-KOEQRZSOSA-N 0 1 501.652 5.622 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408768310 1071802040 /nfs/dbraw/zinc/80/20/40/1071802040.db2.gz FCJHFFMAUBPGLD-ZVHZXABRSA-N 0 1 618.027 6.188 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408779980 1071827043 /nfs/dbraw/zinc/82/70/43/1071827043.db2.gz PCPODUXUSPMDBX-OKCVXOCRSA-N 0 1 549.740 6.702 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408779507 1071828710 /nfs/dbraw/zinc/82/87/10/1071828710.db2.gz XLXWUVQHFZYQSU-VCHYOVAHSA-N 0 1 639.298 6.017 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000408778841 1071835306 /nfs/dbraw/zinc/83/53/06/1071835306.db2.gz MJUSORLQBKPZTP-LPYMAVHISA-N 0 1 569.468 5.455 40 10 KKCBMN Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)NC1=S ZINC000409076184 1072053749 /nfs/dbraw/zinc/05/37/49/1072053749.db2.gz ZDNNUTPEJPWFIY-FYJGNVAPSA-N 0 1 530.993 5.391 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Br)c(C)c4)c3C)C(=O)NC2=S)c(OC)c1 ZINC000409067552 1072116529 /nfs/dbraw/zinc/11/65/29/1072116529.db2.gz FFQQVECUWCOGDE-UDWIEESQSA-N 0 1 554.466 5.014 40 10 KKCBMN CCOc1cc(Br)c(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1OCC ZINC000409085586 1072177172 /nfs/dbraw/zinc/17/71/72/1072177172.db2.gz DVCMOHYHCUCSSU-NTEUORMPSA-N 0 1 523.836 5.040 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000409096640 1072232758 /nfs/dbraw/zinc/23/27/58/1072232758.db2.gz KRYFKSAHYYQTQS-WGOQTCKBSA-N 0 1 634.983 7.229 40 10 KKCBMN Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C(=O)NC1=S ZINC000409100962 1072316410 /nfs/dbraw/zinc/31/64/10/1072316410.db2.gz WDPPLJZGIFEECC-FYJGNVAPSA-N 0 1 530.993 5.391 40 10 KKCBMN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409332655 1072358013 /nfs/dbraw/zinc/35/80/13/1072358013.db2.gz QVTBLKDRBIDLMS-DEDYPNTBSA-N 0 1 575.531 6.035 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000409104489 1072354274 /nfs/dbraw/zinc/35/42/74/1072354274.db2.gz FIFMLLBCCOXCDL-LFIBNONCSA-N 0 1 518.853 6.194 40 10 KKCBMN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OCc1ccccc1Cl ZINC000409327981 1072395667 /nfs/dbraw/zinc/39/56/67/1072395667.db2.gz OPPKXHUYCGVSAY-FYJGNVAPSA-N 0 1 531.080 5.925 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4ccc(C)cc4)c(OC)c3)C2=O)cc1OC ZINC000409123406 1072416909 /nfs/dbraw/zinc/41/69/09/1072416909.db2.gz GDRFMTIGHDFJLN-YDZHTSKRSA-N 0 1 670.500 5.647 40 10 KKCBMN COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409345342 1072426353 /nfs/dbraw/zinc/42/63/53/1072426353.db2.gz LGJCQZSZLCWWAF-YBFXNURJSA-N 0 1 595.949 6.298 40 10 KKCBMN CCCCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4C)C3=O)c2C)cc1 ZINC000409119155 1072437414 /nfs/dbraw/zinc/43/74/14/1072437414.db2.gz ROACVKSGFATAEJ-XQNSMLJCSA-N 0 1 506.071 6.230 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(Br)cc1F ZINC000409127000 1072448800 /nfs/dbraw/zinc/44/88/00/1072448800.db2.gz CCNJATVKTQYWSK-YBFXNURJSA-N 0 1 526.431 5.444 40 10 KKCBMN Cc1cccc(N2C(=O)/C(=C/c3cn(Cc4ccc5ccccc5c4)c4ccccc34)C(=O)NC2=S)c1C ZINC000409126281 1072454535 /nfs/dbraw/zinc/45/45/35/1072454535.db2.gz FEORIELYMFVGFK-WPWMEQJKSA-N 0 1 515.638 6.291 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4cccc5ccccc54)c(OCC)c3)C2=O)cc1OC ZINC000409125396 1072460230 /nfs/dbraw/zinc/46/02/30/1072460230.db2.gz NGXCWBSUSDDWCX-JVWAILMASA-N 0 1 629.109 6.930 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OS(=O)(=O)c4ccc(Cl)cc4)c(Cl)c3)C2=O)cc1OC ZINC000409125304 1072461822 /nfs/dbraw/zinc/46/18/22/1072461822.db2.gz DUEMBBVENYCPLQ-RGVLZGJSSA-N 0 1 653.924 5.874 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409124932 1072463435 /nfs/dbraw/zinc/46/34/35/1072463435.db2.gz CHMHMKQOWRAQDD-JFLMPSFJSA-N 0 1 604.559 7.428 40 10 KKCBMN CCN(CC)c1ccc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409339407 1072475366 /nfs/dbraw/zinc/47/53/66/1072475366.db2.gz VBBNNWGXTMUPJF-FSJBWODESA-N 0 1 592.595 7.026 40 10 KKCBMN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc([N+](=O)[O-])c1O ZINC000409338224 1072486780 /nfs/dbraw/zinc/48/67/80/1072486780.db2.gz GAXZINBNSLMJOB-CHHVJCJISA-N 0 1 515.794 5.521 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000409135200 1072486791 /nfs/dbraw/zinc/48/67/91/1072486791.db2.gz XOVZNONJXUUZQP-MFKUBSTISA-N 0 1 567.627 5.638 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccccc4F)c(OC)c3)C2=O)cc1OC ZINC000409134676 1072489476 /nfs/dbraw/zinc/48/94/76/1072489476.db2.gz PDZRODJEKBCCRT-CIAFOILYSA-N 0 1 627.463 5.635 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(Cl)cc3Cl)C2=O)cc1OC ZINC000409134268 1072492809 /nfs/dbraw/zinc/49/28/09/1072492809.db2.gz NYTVWXJAPWHFNA-LPYMAVHISA-N 0 1 603.886 6.685 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccc(F)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409133480 1072499439 /nfs/dbraw/zinc/49/94/39/1072499439.db2.gz MQIHJTOJBQIPDI-YDZHTSKRSA-N 0 1 641.490 6.025 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc(Br)cc4)c(OC)c3)C2=O)cc1OC ZINC000409132701 1072502897 /nfs/dbraw/zinc/50/28/97/1072502897.db2.gz QXTJZCLJPZMUEU-WSDLNYQXSA-N 0 1 643.918 6.150 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc5ccccc54)c(OC)c3)C2=O)cc1OC ZINC000409131395 1072509924 /nfs/dbraw/zinc/50/99/24/1072509924.db2.gz IXKNWUIYGNFTGN-WPWMEQJKSA-N 0 1 580.637 5.887 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000409130823 1072513382 /nfs/dbraw/zinc/51/33/82/1072513382.db2.gz NNOHTCKCIZACQA-WPWMEQJKSA-N 0 1 553.659 6.260 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(OCC)c3)C2=O)cc1OC ZINC000409130603 1072513964 /nfs/dbraw/zinc/51/39/64/1072513964.db2.gz WRDNELHAXAVYMX-SSDVNMTOSA-N 0 1 692.390 7.193 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)C2=O)cc1OC ZINC000409129895 1072517419 /nfs/dbraw/zinc/51/74/19/1072517419.db2.gz HOIHOFYTRBCKJC-YDZHTSKRSA-N 0 1 715.497 5.637 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Cl)cc(Cl)c3OCc3ccc(Cl)cc3)C2=O)cc1OC ZINC000409127542 1072530104 /nfs/dbraw/zinc/53/01/04/1072530104.db2.gz NSXDMVAEQSZWRS-LPYMAVHISA-N 0 1 603.886 6.685 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccc(C)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409127603 1072530609 /nfs/dbraw/zinc/53/06/09/1072530609.db2.gz OGPPFNUVNMAPMU-ZVHZXABRSA-N 0 1 637.527 6.195 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OS(=O)(=O)c4ccc(C)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409142320 1072548182 /nfs/dbraw/zinc/54/81/82/1072548182.db2.gz YCCVVIXUTPNDJT-OEAKJJBVSA-N 0 1 643.114 5.274 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4cccc(F)c4)c(OC)c3)C2=O)cc1OC ZINC000409140624 1072558690 /nfs/dbraw/zinc/55/86/90/1072558690.db2.gz GYHYUIQXQGAILI-WSDLNYQXSA-N 0 1 627.463 5.635 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc(C)cc4)c(Cl)c3)C2=O)cc1OC ZINC000409140409 1072559035 /nfs/dbraw/zinc/55/90/35/1072559035.db2.gz DZWMMSXHNBHUGI-WSDLNYQXSA-N 0 1 583.468 6.340 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1OC ZINC000409139127 1072566600 /nfs/dbraw/zinc/56/66/00/1072566600.db2.gz MSSGWASPPXVQCX-BUVRLJJBSA-N 0 1 534.996 5.378 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccccc3F)C2=O)cc1OC ZINC000409138579 1072570002 /nfs/dbraw/zinc/57/00/02/1072570002.db2.gz DXXKWJRFKRPYGI-PXLXIMEGSA-N 0 1 552.986 5.518 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4F)c(OCC)c3)C2=O)cc1OC ZINC000409138128 1072572694 /nfs/dbraw/zinc/57/26/94/1072572694.db2.gz YZWPKGZJKIZUOJ-HZHRSRAPSA-N 0 1 562.594 5.263 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccc(Br)cc4)c3)C2=O)cc1OC ZINC000409146234 1072582379 /nfs/dbraw/zinc/58/23/79/1072582379.db2.gz RTCJNGUJHJVZFF-IWIPYMOSSA-N 0 1 579.447 5.488 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCc1ccc(Br)cc1 ZINC000409376775 1072627287 /nfs/dbraw/zinc/62/72/87/1072627287.db2.gz CVXAQPDXXXCXPH-LPYMAVHISA-N 0 1 644.385 6.583 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OCc4ccc(Cl)cc4)cc3Br)C(=O)NC2=S)cc1 ZINC000409375614 1072631633 /nfs/dbraw/zinc/63/16/33/1072631633.db2.gz NAQCJJYDAMIHIF-CIAFOILYSA-N 0 1 585.907 6.084 40 10 KKCBMN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3cc(I)c(O)c(I)c3)SC2=S)c(Cl)c1 ZINC000409149915 1072632029 /nfs/dbraw/zinc/63/20/29/1072632029.db2.gz VJZKXUWYPPCXSY-VGOFMYFVSA-N 0 1 656.692 5.109 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409374027 1072639887 /nfs/dbraw/zinc/63/98/87/1072639887.db2.gz XYAYZTIXDRSMQH-UUYOSTAYSA-N 0 1 561.388 5.445 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OS(=O)(=O)c4ccc(C)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409148940 1072640013 /nfs/dbraw/zinc/64/00/13/1072640013.db2.gz UUBOPFTVPBWJNF-OEAKJJBVSA-N 0 1 734.565 5.225 40 10 KKCBMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409373367 1072642231 /nfs/dbraw/zinc/64/22/31/1072642231.db2.gz IAECMCYTYABDFQ-LICLKQGHSA-N 0 1 550.192 5.590 40 10 KKCBMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc21 ZINC000409373333 1072642352 /nfs/dbraw/zinc/64/23/52/1072642352.db2.gz HBBOFKSJCGRYHD-OEAKJJBVSA-N 0 1 531.362 5.436 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(Br)cc1OCc1cccc2ccccc21 ZINC000409372574 1072644968 /nfs/dbraw/zinc/64/49/68/1072644968.db2.gz LUSHCVVCNGWLIF-WSDLNYQXSA-N 0 1 561.388 5.445 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000409378930 1072674107 /nfs/dbraw/zinc/67/41/07/1072674107.db2.gz SKXMJSHJJWUOLJ-LFVJCYFKSA-N 0 1 500.620 5.366 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409378768 1072674604 /nfs/dbraw/zinc/67/46/04/1072674604.db2.gz RLSUHOYUNGVFRY-LPYMAVHISA-N 0 1 610.486 5.729 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)C(=O)NC2=S)cc1 ZINC000409382688 1072706019 /nfs/dbraw/zinc/70/60/19/1072706019.db2.gz PHUHGMUZRDUBMQ-USHMODERSA-N 0 1 505.643 6.155 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000409380635 1072717287 /nfs/dbraw/zinc/71/72/87/1072717287.db2.gz ORYWRLNGFBJMGL-WGOQTCKBSA-N 0 1 615.549 6.974 40 10 KKCBMN COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c2C)C(=O)NC1=S ZINC000409174874 1072719259 /nfs/dbraw/zinc/71/92/59/1072719259.db2.gz UVVLAMVLSDJBNC-MFKUBSTISA-N 0 1 606.531 6.820 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000409380027 1072720209 /nfs/dbraw/zinc/72/02/09/1072720209.db2.gz GBYKSHLNYYXBHE-LPYMAVHISA-N 0 1 630.479 5.802 40 10 KKCBMN COC(=O)c1ccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)c3ccccc32)o1 ZINC000409392859 1072725771 /nfs/dbraw/zinc/72/57/71/1072725771.db2.gz OATFVVNTAXBAMV-VCHYOVAHSA-N 0 1 554.411 5.207 40 10 KKCBMN COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)C(=O)NC1=S ZINC000409173762 1072726376 /nfs/dbraw/zinc/72/63/76/1072726376.db2.gz RMOYFEIICJSWPR-FOWTUZBSSA-N 0 1 500.407 5.241 40 10 KKCBMN COC(=O)c1ccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)c3ccccc32)o1 ZINC000409391946 1072726683 /nfs/dbraw/zinc/72/66/83/1072726683.db2.gz KLELVUURUVUZSN-GZTJUZNOSA-N 0 1 554.411 5.207 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCC(=O)Nc1ccc(C)cc1 ZINC000409387840 1072740345 /nfs/dbraw/zinc/74/03/45/1072740345.db2.gz RZZIRJMINZMNPX-OEAKJJBVSA-N 0 1 622.541 5.567 40 10 KKCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Br)cc2Br)c(Cl)c1 ZINC000409407129 1072754879 /nfs/dbraw/zinc/75/48/79/1072754879.db2.gz KZTXAOXAQKBUQJ-ZDLGFXPLSA-N 0 1 562.645 5.905 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCc1ccccc1F ZINC000409406715 1072756713 /nfs/dbraw/zinc/75/67/13/1072756713.db2.gz KUZATQVQQUWHMY-UNOMPAQXSA-N 0 1 511.347 5.027 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000409404507 1072765837 /nfs/dbraw/zinc/76/58/37/1072765837.db2.gz DLWQTRRELVXJSR-GRSHGNNSSA-N 0 1 562.247 6.195 40 10 KKCBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409403631 1072769765 /nfs/dbraw/zinc/76/97/65/1072769765.db2.gz AGMQMVGSMDCVIS-UCQKPKSFSA-N 0 1 576.390 5.493 40 10 KKCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1OCc1ccc(Br)cc1 ZINC000409401754 1072779838 /nfs/dbraw/zinc/77/98/38/1072779838.db2.gz ZOZFUQFHPHKTFT-MOSHPQCFSA-N 0 1 528.200 5.252 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4cccc(F)c4)c(Cl)c3)C2=O)cc1OCC ZINC000409196242 1072833048 /nfs/dbraw/zinc/83/30/48/1072833048.db2.gz XYPZKRKDNGCSDX-WSDLNYQXSA-N 0 1 601.458 6.561 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4cccc(Cl)c4)c(OCC)c3)C2=O)cc1OCC ZINC000409195003 1072839135 /nfs/dbraw/zinc/83/91/35/1072839135.db2.gz SAEVJUXYHUHUTN-ZVHZXABRSA-N 0 1 671.972 6.930 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc5ccccc54)c(OCC)c3)C2=O)cc1OCC ZINC000409193641 1072849749 /nfs/dbraw/zinc/84/97/49/1072849749.db2.gz KEZNVIQOPXGUJV-VUTHCHCSSA-N 0 1 608.691 6.667 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccccc3)C2=O)cc1OCC ZINC000409192726 1072853935 /nfs/dbraw/zinc/85/39/35/1072853935.db2.gz ZUBYJTUYGDZHEY-HKOYGPOVSA-N 0 1 514.578 5.115 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Br)cc(Br)c3OCc3ccccc3Cl)C2=O)cc1OCC ZINC000409192739 1072854148 /nfs/dbraw/zinc/85/41/48/1072854148.db2.gz AFGQUACDZFSNEH-HYARGMPZSA-N 0 1 706.815 7.294 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(Cl)cc3Cl)C2=O)cc1OCC ZINC000409191826 1072859715 /nfs/dbraw/zinc/85/97/15/1072859715.db2.gz ODQHQCSNGJAJTH-OEAKJJBVSA-N 0 1 617.913 7.075 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1OCC ZINC000409191306 1072864148 /nfs/dbraw/zinc/86/41/48/1072864148.db2.gz UZBWENAXYCPHTC-LFVJCYFKSA-N 0 1 549.023 5.769 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3c(OCc4ccc(Cl)cc4)ccc4ccccc43)C2=O)cc1OCC ZINC000409191014 1072866250 /nfs/dbraw/zinc/86/62/50/1072866250.db2.gz YKUKEHCMUSVPAT-TURZUDJPSA-N 0 1 599.083 6.922 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Br)cc(Br)c3OCc3ccc(Cl)cc3)C2=O)cc1OCC ZINC000409190567 1072869556 /nfs/dbraw/zinc/86/95/56/1072869556.db2.gz ZQMIHJQWZIYVPF-OEAKJJBVSA-N 0 1 706.815 7.294 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCc3cccc(F)c3)C2=O)cc1OCC ZINC000409190398 1072870247 /nfs/dbraw/zinc/87/02/47/1072870247.db2.gz YHNHSESEWGCJSU-LFVJCYFKSA-N 0 1 611.464 6.017 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1OCC ZINC000409189854 1072874340 /nfs/dbraw/zinc/87/43/40/1072874340.db2.gz UGKUVDPBTJEKHE-YDZHTSKRSA-N 0 1 624.046 5.685 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3c(OCc4ccc(Br)cc4)ccc4ccccc43)C2=O)cc1OCC ZINC000409188350 1072883005 /nfs/dbraw/zinc/88/30/05/1072883005.db2.gz GZGVTBAAURUCSG-TURZUDJPSA-N 0 1 643.534 7.031 40 10 KKCBMN CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Br)c4)C3=O)c2C)cc1 ZINC000409188039 1072884257 /nfs/dbraw/zinc/88/42/57/1072884257.db2.gz WODVAARZTTXPMQ-LPYMAVHISA-N 0 1 524.440 5.087 40 10 KKCBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3cc(Br)c(Sc4ccc(Cl)cc4)o3)C(=O)NC2=S)c1 ZINC000409226281 1072975065 /nfs/dbraw/zinc/97/50/65/1072975065.db2.gz MRNGGYPLUDGCSB-LICLKQGHSA-N 0 1 547.883 6.295 40 10 KKCBMN Cc1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)o2)c(Br)c1 ZINC000409225271 1072979262 /nfs/dbraw/zinc/97/92/62/1072979262.db2.gz MOJYFXSCVUCHFV-XNTDXEJSSA-N 0 1 536.234 6.156 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C(=O)NC2=S)cc1Cl ZINC000409221713 1072997047 /nfs/dbraw/zinc/99/70/47/1072997047.db2.gz VABGHJFCUIMEGS-MHWRWJLKSA-N 0 1 502.335 5.301 40 10 KKCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(-c2cccc(Br)c2)o1 ZINC000409237181 1073032623 /nfs/dbraw/zinc/03/26/23/1073032623.db2.gz JWLOWOUVTIVMAH-GZTJUZNOSA-N 0 1 521.314 5.559 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000409236802 1073035771 /nfs/dbraw/zinc/03/57/71/1073035771.db2.gz HPARRLVQHYPSSX-ULJHMMPZSA-N 0 1 512.034 6.246 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000409235393 1073045542 /nfs/dbraw/zinc/04/55/42/1073045542.db2.gz PBTZVRLDVTXQAK-WPWMEQJKSA-N 0 1 553.659 6.260 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc(Br)c3)C(=O)NC2=S)cc1Cl ZINC000409232803 1073058647 /nfs/dbraw/zinc/05/86/47/1073058647.db2.gz QENFBURUUIYWGH-WOJGMQOQSA-N 0 1 500.805 5.033 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000409232884 1073058925 /nfs/dbraw/zinc/05/89/25/1073058925.db2.gz STIXMUPDCPBUCA-LFVJCYFKSA-N 0 1 560.050 6.297 40 10 KKCBMN Cc1ccc(C)c(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C(=O)NC2=S)c1 ZINC000409246793 1073075928 /nfs/dbraw/zinc/07/59/28/1073075928.db2.gz BGUGHPLWOVBCQG-BOPFTXTBSA-N 0 1 526.368 5.065 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1c(C)cc(C)cc1C ZINC000409245351 1073083620 /nfs/dbraw/zinc/08/36/20/1073083620.db2.gz RIIZLJOZJKLFHH-WSDLNYQXSA-N 0 1 511.569 5.870 40 10 KKCBMN CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(C)C)cc4)C3=O)c1C)CCCC2 ZINC000409244815 1073086745 /nfs/dbraw/zinc/08/67/45/1073086745.db2.gz JBYLOTLJEMQRCF-LFVJCYFKSA-N 0 1 575.756 6.166 40 10 KKCBMN CC[C@H](C)Oc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1OC ZINC000409243694 1073092011 /nfs/dbraw/zinc/09/20/11/1073092011.db2.gz ZOOCNXGFUDJCEA-BKQORJHRSA-N 0 1 531.472 5.590 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000409243053 1073094342 /nfs/dbraw/zinc/09/43/42/1073094342.db2.gz UYUGYJCAZGTHCO-JFLMPSFJSA-N 0 1 634.983 7.229 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000409241742 1073099709 /nfs/dbraw/zinc/09/97/09/1073099709.db2.gz UKSWBGNJMQQNOE-PCLIKHOPSA-N 0 1 620.956 6.920 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409241478 1073101743 /nfs/dbraw/zinc/10/17/43/1073101743.db2.gz XULJGRPHRKSCQQ-CVKSISIWSA-N 0 1 590.532 7.120 40 10 KKCBMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1 ZINC000409240883 1073105195 /nfs/dbraw/zinc/10/51/95/1073105195.db2.gz QPLMHZJQUGHUOB-HMAPJEAMSA-N 0 1 534.410 5.423 40 10 KKCBMN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2C)c1 ZINC000409240349 1073109454 /nfs/dbraw/zinc/10/94/54/1073109454.db2.gz STVLPKOKLBLAKZ-LPYMAVHISA-N 0 1 541.551 5.121 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409239806 1073111415 /nfs/dbraw/zinc/11/14/15/1073111415.db2.gz FGJPQATXYHKNGH-UXHLAJHPSA-N 0 1 584.141 7.281 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000409237382 1073127097 /nfs/dbraw/zinc/12/70/97/1073127097.db2.gz IKCZADPKRGOJCV-BKUYFWCQSA-N 0 1 555.441 5.147 40 10 KKCBMN CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)NC(=S)N(c4ccccc4Cl)C3=O)c2-c2ccccc2)cc1 ZINC000409250089 1073138096 /nfs/dbraw/zinc/13/80/96/1073138096.db2.gz MINKTLDWHCAVEG-HFTWOUSFSA-N 0 1 632.141 7.473 40 10 KKCBMN Cc1ccc(NC(=O)Cn2cc(/C=C3\C(=O)NC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c3ccccc32)cc1 ZINC000409249216 1073143716 /nfs/dbraw/zinc/14/37/16/1073143716.db2.gz MVPDLWRJVJUXKK-YDZHTSKRSA-N 0 1 562.573 5.439 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(Br)c(Br)c1O ZINC000409248967 1073145880 /nfs/dbraw/zinc/14/58/80/1073145880.db2.gz RUUONUBGAQCECS-WUXMJOGZSA-N 0 1 594.203 5.166 40 10 KKCBMN CCc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1C ZINC000409248081 1073150932 /nfs/dbraw/zinc/15/09/32/1073150932.db2.gz FVMAGJCRYXIEHW-LPYMAVHISA-N 0 1 511.569 5.815 40 10 KKCBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)C(=O)NC2=S)c1 ZINC000409247329 1073154881 /nfs/dbraw/zinc/15/48/81/1073154881.db2.gz MWMVTFOSOJUNGA-WSDLNYQXSA-N 0 1 534.468 6.445 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000409252290 1073188710 /nfs/dbraw/zinc/18/87/10/1073188710.db2.gz XDKYWJUZOCCUEH-OGLMXYFKSA-N 0 1 553.659 6.260 40 10 KKCBMN COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c1C ZINC000409251916 1073189989 /nfs/dbraw/zinc/18/99/89/1073189989.db2.gz RBCOFAUXYBBWNM-VXLYETTFSA-N 0 1 514.434 5.549 40 10 KKCBMN COc1ccc(CCN2C(=O)NC(=O)C(=Cc3ccc4c(c3)CCCN4Cc3ccccc3)C2=O)cc1OC ZINC000034795955 1073208361 /nfs/dbraw/zinc/20/83/61/1073208361.db2.gz MSZFFQVOACJUPL-BWAHOGKJSA-N 0 1 525.605 5.201 40 10 KKCBMN Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2Cl)cc1 ZINC000409265103 1073208383 /nfs/dbraw/zinc/20/83/83/1073208383.db2.gz NQWJSWCNKPOPCC-ODLFYWEKSA-N 0 1 540.428 5.151 40 10 KKCBMN Cc1ccc(C)c(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c1 ZINC000409264620 1073210419 /nfs/dbraw/zinc/21/04/19/1073210419.db2.gz QILXUDKNCCSXGU-NDENLUEZSA-N 0 1 643.357 5.677 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1C ZINC000409257691 1073250400 /nfs/dbraw/zinc/25/04/00/1073250400.db2.gz RVEZKHCFGZLDCB-MOSHPQCFSA-N 0 1 594.487 5.005 40 10 KKCBMN COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)C2=C(C)Nc2ccc(OC)cc2OC)cc1 ZINC000020288717 553633705 /nfs/dbraw/zinc/63/37/05/553633705.db2.gz QJAUFXXBPVKLNL-JLPGSUDCSA-N 0 1 500.580 5.459 40 10 KKCBMN O=C(NCCCN1CCN(CCCNC(=O)c2ccc(/N=N/c3ccccc3)cc2)CC1)c1ccc(/N=N/c2ccccc2)cc1 ZINC000022585396 553747463 /nfs/dbraw/zinc/74/74/63/553747463.db2.gz OUEDTNAEXPGKON-LMXNTIJMSA-N 0 1 616.770 7.075 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCCOc1c(C)cccc1C ZINC000026608504 553819755 /nfs/dbraw/zinc/81/97/55/553819755.db2.gz NYYYVEMEXCWWOD-PXLXIMEGSA-N 0 1 506.986 5.275 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000033863169 553975382 /nfs/dbraw/zinc/97/53/82/553975382.db2.gz MNXULLLGUGCAEA-UNOMPAQXSA-N 0 1 511.347 5.027 40 10 KKCBMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(Br)c1 ZINC000100055416 554196162 /nfs/dbraw/zinc/19/61/62/554196162.db2.gz 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CGSXUBXYOCUMNH-WZOHSFFVSA-N 0 1 501.435 6.629 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000059103762 554379097 /nfs/dbraw/zinc/37/90/97/554379097.db2.gz MHOVQZPOSDYZLJ-NDENLUEZSA-N 0 1 527.415 5.140 40 10 KKCBMN Cc1cccc(NC(=O)Cn2cc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)c3ccccc32)c1 ZINC000059139146 554383020 /nfs/dbraw/zinc/38/30/20/554383020.db2.gz XHKIAXDPTANUEW-KGENOOAVSA-N 0 1 512.566 5.399 40 10 KKCBMN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(Cl)c(NC=C2C(=O)N(c3ccc(Cl)cc3)N=C2C)c1 ZINC000100930992 554527251 /nfs/dbraw/zinc/52/72/51/554527251.db2.gz APWFSAYAXCCMAD-YBOYZMIGSA-N 0 1 579.875 7.084 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)C(=O)NC2=S)c(OC)c1 ZINC000103780822 555476286 /nfs/dbraw/zinc/47/62/86/555476286.db2.gz JFRNZODLQFKKJE-SRZZPIQSSA-N 0 1 566.466 5.845 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1 ZINC000103851647 571364959 /nfs/dbraw/zinc/36/49/59/571364959.db2.gz PHFBRNQSHBTWOD-OQLLNIDSSA-N 0 1 580.262 6.305 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000103851653 571364977 /nfs/dbraw/zinc/36/49/77/571364977.db2.gz YIHNXOODTJLAJU-CXUHLZMHSA-N 0 1 580.262 6.305 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(Br)cc1OCc1ccccc1Cl ZINC000103852183 571365231 /nfs/dbraw/zinc/36/52/31/571365231.db2.gz SKMLWQBJYYOAQB-MHWRWJLKSA-N 0 1 575.843 5.661 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1cccc(C)c1 ZINC000103852147 571365259 /nfs/dbraw/zinc/36/52/59/571365259.db2.gz ZVCSFCKGSJHPGR-WOJGMQOQSA-N 0 1 602.425 5.158 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000103852097 571365269 /nfs/dbraw/zinc/36/52/69/571365269.db2.gz FRAFEVBOYFYCCT-WOJGMQOQSA-N 0 1 555.425 5.316 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(Br)cc1OCc1ccccc1F ZINC000103852195 571365369 /nfs/dbraw/zinc/36/53/69/571365369.db2.gz LAWMNYMWQKJXPP-MHWRWJLKSA-N 0 1 559.388 5.146 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000103852075 571365373 /nfs/dbraw/zinc/36/53/73/571365373.db2.gz PBCYQZSNQYGZRA-OVCLIPMQSA-N 0 1 610.288 6.314 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000103852363 571365460 /nfs/dbraw/zinc/36/54/60/571365460.db2.gz SHYCDBTZNCRJAC-PCLIKHOPSA-N 0 1 543.595 5.783 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1cccc2ccccc21 ZINC000103852276 571365464 /nfs/dbraw/zinc/36/54/64/571365464.db2.gz GFJFCPCIVXSHHW-XQNSMLJCSA-N 0 1 526.589 5.788 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000103852603 571365492 /nfs/dbraw/zinc/36/54/92/571365492.db2.gz QVMZPMIBAJUTRX-WOJGMQOQSA-N 0 1 589.870 6.051 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000103852524 571365514 /nfs/dbraw/zinc/36/55/14/571365514.db2.gz MCQQPIDWZVJQOC-GZTJUZNOSA-N 0 1 528.964 5.427 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc(F)c1 ZINC000103853277 571365777 /nfs/dbraw/zinc/36/57/77/571365777.db2.gz YBKGQFQOJBEIPQ-LDADJPATSA-N 0 1 529.362 5.138 40 10 KKCBMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 ZINC000103860280 571367368 /nfs/dbraw/zinc/36/73/68/571367368.db2.gz FQJJBKUTRABTGF-YBFXNURJSA-N 0 1 590.268 5.761 40 10 KKCBMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000103860196 571367373 /nfs/dbraw/zinc/36/73/73/571367373.db2.gz XZRKFVPZWWVDRV-YBEGLDIGSA-N 0 1 577.210 5.211 40 10 KKCBMN COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)C2=C(C)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 ZINC000103922636 571369828 /nfs/dbraw/zinc/36/98/28/571369828.db2.gz NNGJQEUGIXKCAS-BRPDVVIDSA-N 0 1 548.643 7.556 40 10 KKCBMN COc1ccc(C2=NN(c3ccccc3)C(=O)C2=C(C)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 ZINC000103922620 571369833 /nfs/dbraw/zinc/36/98/33/571369833.db2.gz SJHCHQNVWIKQPH-ANYBSYGZSA-N 0 1 530.653 7.417 40 10 KKCBMN COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)C2=C(C)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 ZINC000103922642 571369835 /nfs/dbraw/zinc/36/98/35/571369835.db2.gz CSMZUCKNWMQSMY-BRPDVVIDSA-N 0 1 587.730 8.027 40 10 KKCBMN O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 ZINC000104407116 571380894 /nfs/dbraw/zinc/38/08/94/571380894.db2.gz JJAZKBFQUMSIBI-UHFFFAOYSA-N 0 1 565.478 6.618 40 10 KKCBMN O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 ZINC000104406963 571380905 /nfs/dbraw/zinc/38/09/05/571380905.db2.gz UBKGRHFAQSPZDT-UHFFFAOYSA-N 0 1 549.023 6.104 40 10 KKCBMN COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(Cl)cccc2Cl)N3)c1 ZINC000104649568 571383041 /nfs/dbraw/zinc/38/30/41/571383041.db2.gz JVXVBQBMYOYQHC-DFXHWTJYSA-N 0 1 531.461 6.638 40 10 KKCBMN O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(CCOc2ccc3c(c2)OCO3)c2ccc(Br)cc12 ZINC000104882139 571387181 /nfs/dbraw/zinc/38/71/81/571387181.db2.gz WKGNULUVTYTWTA-WSDLNYQXSA-N 0 1 580.435 5.006 40 10 KKCBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000105448433 571404975 /nfs/dbraw/zinc/40/49/75/571404975.db2.gz WREJKCDDZBAQMR-NVMNQCDNSA-N 0 1 548.220 5.805 40 10 KKCBMN Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3ccc(Br)cc3)C1=O)C(C)=CC(C)(C)N2C(C)C ZINC000223509197 571489800 /nfs/dbraw/zinc/48/98/00/571489800.db2.gz CIQNKJCWCURMOD-LPYMAVHISA-N 0 1 538.511 5.999 40 10 KKCBMN CCOc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C(C)C)C(C)(C)C=C4C)C(=O)NC2=S)cc1 ZINC000223515315 571491431 /nfs/dbraw/zinc/49/14/31/571491431.db2.gz FLANPKCFSCTXDQ-BUVRLJJBSA-N 0 1 503.668 5.635 40 10 KKCBMN CC(C)N1c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Br)c4)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223560240 571501953 /nfs/dbraw/zinc/50/19/53/571501953.db2.gz QFIKZKQKBNKTOZ-GKXUUXLPSA-N 0 1 526.500 5.781 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000150481474 571512640 /nfs/dbraw/zinc/51/26/40/571512640.db2.gz ALWUELXMVNQRGT-QGMBQPNBSA-N 0 1 671.194 6.937 40 10 KKCBMN Cc1c(Br)c(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000164317352 571545679 /nfs/dbraw/zinc/54/56/79/571545679.db2.gz ZRDUFKOPODHRAV-MHWRWJLKSA-N 0 1 628.173 6.757 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(I)c(OCc2ccccc2)c(I)c1 ZINC000164388414 571546918 /nfs/dbraw/zinc/54/69/18/571546918.db2.gz ZKIHSUUUHQRURY-MHWRWJLKSA-N 0 1 684.268 5.445 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2)c(I)c1 ZINC000164393402 571547048 /nfs/dbraw/zinc/54/70/48/571547048.db2.gz MFNJHICLYPIFQB-MHWRWJLKSA-N 0 1 637.268 5.603 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(OCc2cccc3ccccc32)c(I)c1 ZINC000164395687 571547050 /nfs/dbraw/zinc/54/70/50/571547050.db2.gz RPQQLFIYJCSURC-UDWIEESQSA-N 0 1 687.328 6.756 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000164400876 571547203 /nfs/dbraw/zinc/54/72/03/571547203.db2.gz LVNDZHYURURNRG-LICLKQGHSA-N 0 1 620.294 5.770 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000164406040 571547221 /nfs/dbraw/zinc/54/72/21/571547221.db2.gz YZFAQJPGEHLZHZ-WOJGMQOQSA-N 0 1 620.415 5.378 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(Br)cc1OCc1ccc(I)cc1 ZINC000164407958 571547474 /nfs/dbraw/zinc/54/74/74/571547474.db2.gz FSFLYQVKCZCOBI-WOJGMQOQSA-N 0 1 681.321 6.002 40 10 KKCBMN C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)cc21 ZINC000208238492 571573622 /nfs/dbraw/zinc/57/36/22/571573622.db2.gz ARJYKJNJUYKQOP-KMHUVPDISA-N 0 1 522.885 6.200 40 10 KKCBMN CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)cc21 ZINC000208469017 571574523 /nfs/dbraw/zinc/57/45/23/571574523.db2.gz SBNJBFLGLYUFCN-OQLLNIDSSA-N 0 1 520.869 6.110 40 10 KKCBMN COc1cc(COc2ccc(Br)cc2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccccc1 ZINC000408540326 572205514 /nfs/dbraw/zinc/20/55/14/572205514.db2.gz QBKQIMIGSHZBAA-ITYLOYPMSA-N 0 1 629.532 6.447 40 10 KKCBMN COC(=O)c1cccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)c3ccccc32)c1 ZINC000408541797 572209390 /nfs/dbraw/zinc/20/93/90/572209390.db2.gz HTBLZEVGKSEFKJ-DEDYPNTBSA-N 0 1 564.450 5.614 40 10 KKCBMN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C(=O)N5CCCCC5)cc4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000408543763 572213642 /nfs/dbraw/zinc/21/36/42/572213642.db2.gz SVXGIGLWNIYTJG-ZXVVBBHZSA-N 0 1 599.709 5.130 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408545129 572217835 /nfs/dbraw/zinc/21/78/35/572217835.db2.gz ZFQLAJVYMDNORM-KOEQRZSOSA-N 0 1 648.579 5.803 40 10 KKCBMN O=C(COc1c(Br)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Br)Nc1ccc(Cl)c(Cl)c1 ZINC000408550565 572234330 /nfs/dbraw/zinc/23/43/30/572234330.db2.gz FGVNIPIHOPTGIK-PXNMLYILSA-N 0 1 684.193 6.367 40 10 KKCBMN O=C(COc1ccc(Cl)cc1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408551377 572236274 /nfs/dbraw/zinc/23/62/74/572236274.db2.gz CKKUJDWLCWJEGL-WQRHYEAKSA-N 0 1 560.846 5.496 40 10 KKCBMN COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1NC(=O)c1ccccc1F ZINC000408584848 572265944 /nfs/dbraw/zinc/26/59/44/572265944.db2.gz VWKCTVRMQZDZLA-UHFFFAOYSA-N 0 1 538.984 5.772 40 10 KKCBMN CCOC(=O)Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)ccc1OCC ZINC000408586385 572266202 /nfs/dbraw/zinc/26/62/02/572266202.db2.gz OGZKCZJKTSQXOM-UHFFFAOYSA-N 0 1 502.976 5.339 40 10 KKCBMN COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408587178 572266551 /nfs/dbraw/zinc/26/65/51/572266551.db2.gz RVQOQDMTUJJXSH-UHFFFAOYSA-N 0 1 555.439 6.286 40 10 KKCBMN CC(C)c1ccc(N2C(=O)C(=Cc3ccc4c(c3)CCN4Cc3ccccc3Cl)C(=O)NC2=S)cc1 ZINC000103126213 1069708477 /nfs/dbraw/zinc/70/84/77/1069708477.db2.gz PFEDOVCQVDORKK-JLPGSUDCSA-N 0 1 516.066 6.269 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4ccc(C)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409132917 1069784055 /nfs/dbraw/zinc/78/40/55/1069784055.db2.gz PIGKQQYOFZLLKU-ZVHZXABRSA-N 0 1 684.527 6.037 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OS(=O)(=O)c4ccccc4)c(Br)c3)C2=O)cc1OC ZINC000409142459 1069790040 /nfs/dbraw/zinc/79/00/40/1069790040.db2.gz LNJYDVAFQASMHV-UDWIEESQSA-N 0 1 708.381 5.439 40 10 KKCBMN Cc1cccc(N2C(=O)/C(=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Cl)c3)C(=O)NC2=S)c1 ZINC000408776855 1069887094 /nfs/dbraw/zinc/88/70/94/1069887094.db2.gz RVEWNVOISOEOHA-LICLKQGHSA-N 0 1 561.925 6.199 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c(-c2ccccc2)n1-c1ccccc1 ZINC000408782550 1069907679 /nfs/dbraw/zinc/90/76/79/1069907679.db2.gz KAPSZMFOIAOVSU-LFVJCYFKSA-N 0 1 542.458 6.047 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(Br)cc1OCc1ccc(C)cc1 ZINC000408846456 1070054059 /nfs/dbraw/zinc/05/40/59/1070054059.db2.gz JQRBJNCSVNKNNS-LICLKQGHSA-N 0 1 606.325 6.483 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000408847038 1070055174 /nfs/dbraw/zinc/05/51/74/1070055174.db2.gz LCXHPGZFZBIVBS-UDWIEESQSA-N 0 1 642.358 7.328 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408847704 1070056271 /nfs/dbraw/zinc/05/62/71/1070056271.db2.gz ODFZPPIRAGXUHZ-VGOFMYFVSA-N 0 1 708.188 7.324 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(C)c([N+](=O)[O-])c1 ZINC000408850040 1070063526 /nfs/dbraw/zinc/06/35/26/1070063526.db2.gz DIBFAOYZQYKYBZ-LICLKQGHSA-N 0 1 529.405 5.449 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc32)c(Br)c1 ZINC000408850227 1070064111 /nfs/dbraw/zinc/06/41/11/1070064111.db2.gz IUKICOGSHZFMAF-DEDYPNTBSA-N 0 1 612.332 7.319 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408850126 1070064381 /nfs/dbraw/zinc/06/43/81/1070064381.db2.gz GJDJTVFOIASBNT-LICLKQGHSA-N 0 1 579.864 6.595 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(Br)cc1OCc1cccc(C)c1 ZINC000408849555 1070062890 /nfs/dbraw/zinc/06/28/90/1070062890.db2.gz XHJJRLRQLPQICR-LICLKQGHSA-N 0 1 606.325 6.483 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408858015 1070068662 /nfs/dbraw/zinc/06/86/62/1070068662.db2.gz RCLANYGEWFUZHK-CXUHLZMHSA-N 0 1 718.194 6.779 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408857915 1070069064 /nfs/dbraw/zinc/06/90/64/1070069064.db2.gz QCBKJPAOULLJRQ-OQLLNIDSSA-N 0 1 582.292 6.719 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408856845 1070067129 /nfs/dbraw/zinc/06/71/29/1070067129.db2.gz RITSHAYVKZKZFE-LZYBPNLTSA-N 0 1 722.215 7.714 40 10 KKCBMN CCOC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1Br ZINC000408854659 1070072588 /nfs/dbraw/zinc/07/25/88/1070072588.db2.gz AVLBHKWTJDAYIC-IZZDOVSWSA-N 0 1 592.682 5.183 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408855451 1070074394 /nfs/dbraw/zinc/07/43/94/1070074394.db2.gz FDHZSUPVHVPVFN-VIZOYTHASA-N 0 1 616.737 7.373 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1ccccc1Cl ZINC000408917648 1070208625 /nfs/dbraw/zinc/20/86/25/1070208625.db2.gz ZDCXYKJMNBCNMI-ZDLGFXPLSA-N 0 1 575.843 5.661 40 10 KKCBMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000408916682 1070221591 /nfs/dbraw/zinc/22/15/91/1070221591.db2.gz GCKMPOJGMVIULD-ODLFYWEKSA-N 0 1 501.366 5.543 40 10 KKCBMN O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccc(I)cc2)cc1 ZINC000408995083 1070372202 /nfs/dbraw/zinc/37/22/02/1070372202.db2.gz IPRLVCUHHHLVHM-YBFXNURJSA-N 0 1 609.272 6.008 40 10 KKCBMN Cc1ccc(S(=O)(=O)Nc2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CC[C@H](C(C)(C)C)C3)cc1 ZINC000409056391 1070468818 /nfs/dbraw/zinc/46/88/18/1070468818.db2.gz DJFHTVLBYGKRHQ-KRWDZBQOSA-N 0 1 517.116 6.914 40 10 KKCBMN Cc1cccc(NC(=O)Cn2cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4C)C3=O)c3ccccc32)c1 ZINC000409108434 1070542771 /nfs/dbraw/zinc/54/27/71/1070542771.db2.gz UADFSTCSAADFRQ-HYARGMPZSA-N 0 1 543.048 5.382 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OS(=O)(=O)c4ccc(C)cc4)c(Br)c3)C2=O)cc1OC ZINC000409130595 1070557286 /nfs/dbraw/zinc/55/72/86/1070557286.db2.gz WQMZUCWAEIHRFH-CIAFOILYSA-N 0 1 722.408 5.747 40 10 KKCBMN CC[C@H](C)Oc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1OC ZINC000409137268 1070561381 /nfs/dbraw/zinc/56/13/81/1070561381.db2.gz WIIXHXJTUXETMZ-ADFUCPMPSA-N 0 1 517.445 5.083 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409140540 1070564010 /nfs/dbraw/zinc/56/40/10/1070564010.db2.gz FIQXOOLRZDJYRI-YDZHTSKRSA-N 0 1 613.494 6.431 40 10 KKCBMN COc1ccccc1N1C(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)C(=O)NC1=S ZINC000409166862 1070584678 /nfs/dbraw/zinc/58/46/78/1070584678.db2.gz HCBWPYUHQJILBT-MEFGMAGPSA-N 0 1 555.659 6.651 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3cccc(Cl)c3)C2=O)cc1OCC ZINC000409187993 1070596991 /nfs/dbraw/zinc/59/69/91/1070596991.db2.gz DZQVYWJTOZJEKA-LFVJCYFKSA-N 0 1 583.468 6.422 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4cccc5ccccc54)c(OCC)c3)C2=O)cc1OCC ZINC000409190484 1070607637 /nfs/dbraw/zinc/60/76/37/1070607637.db2.gz OLGPSKLFLXLSFA-OGLMXYFKSA-N 0 1 643.136 7.320 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Cl)cc(Cl)c3OCc3cccc(F)c3)C2=O)cc1OCC ZINC000409191662 1070609190 /nfs/dbraw/zinc/60/91/90/1070609190.db2.gz KFILUQZPDYHSHE-OEAKJJBVSA-N 0 1 601.458 6.561 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4cccc5ccccc54)c(OC)c3)C2=O)cc1OCC ZINC000409194158 1070612737 /nfs/dbraw/zinc/61/27/37/1070612737.db2.gz NNCKBPLICZFWRF-JVWAILMASA-N 0 1 720.560 6.882 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(Cl)c4)c(Br)c3)C2=O)cc1OCC ZINC000409189781 1070620765 /nfs/dbraw/zinc/62/07/65/1070620765.db2.gz IRJSLMOGSIHSPH-OEAKJJBVSA-N 0 1 627.919 6.531 40 10 KKCBMN CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1Br ZINC000409220754 1070647812 /nfs/dbraw/zinc/64/78/12/1070647812.db2.gz FIDDKDWFZBKLHI-WFSQQTBHSA-N 0 1 507.837 5.420 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1Cl ZINC000409252519 1070683816 /nfs/dbraw/zinc/68/38/16/1070683816.db2.gz CCYUJJISBSVPNR-PDGQHHTCSA-N 0 1 614.905 5.350 40 10 KKCBMN O=C1/C(=C/c2cc(I)c(O)c(I)c2)SC(=S)N1c1ccc(Cl)cc1 ZINC000409329075 1070830252 /nfs/dbraw/zinc/83/02/52/1070830252.db2.gz CIRWIKNTDXCUKI-QPEQYQDCSA-N 0 1 599.640 5.661 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408889175 1070890599 /nfs/dbraw/zinc/89/05/99/1070890599.db2.gz FIBDCXVUKDPTPF-UNOMPAQXSA-N 0 1 555.425 5.397 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cccc5ccccc54)c(I)c3)C(=O)NC2=S)cc1 ZINC000409382300 1070899463 /nfs/dbraw/zinc/89/94/63/1070899463.db2.gz RJPLAONCHONXGP-PCLIKHOPSA-N 0 1 618.496 6.417 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409374500 1070897382 /nfs/dbraw/zinc/89/73/82/1070897382.db2.gz RIDZEJRVORODKN-VXLYETTFSA-N 0 1 559.800 5.335 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409382265 1070899862 /nfs/dbraw/zinc/89/98/62/1070899862.db2.gz ZNQPEMSVJKNKTM-LPYMAVHISA-N 0 1 610.486 5.729 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000409383009 1070900568 /nfs/dbraw/zinc/90/05/68/1070900568.db2.gz SPHPPASLEBSBBM-HYARGMPZSA-N 0 1 612.489 5.663 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccc(F)cc3)C(=O)NC2=S)cc1 ZINC000409380493 1070906503 /nfs/dbraw/zinc/90/65/03/1070906503.db2.gz FPZLJUCOFSVWHQ-HYARGMPZSA-N 0 1 539.426 5.561 40 10 KKCBMN COc1cc(Br)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1cccc2ccccc21 ZINC000409403578 1070922809 /nfs/dbraw/zinc/92/28/09/1070922809.db2.gz ACENCVOHTHDAMX-BUVRLJJBSA-N 0 1 529.390 5.651 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408916697 1070996610 /nfs/dbraw/zinc/99/66/10/1070996610.db2.gz GGXOTLAUDWIYLL-JAIQZWGSSA-N 0 1 600.422 5.305 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408916491 1071000484 /nfs/dbraw/zinc/00/04/84/1071000484.db2.gz DHPUXUINLMNFEH-GRSHGNNSSA-N 0 1 559.388 5.146 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccc2ccccc2c1 ZINC000408918628 1071130641 /nfs/dbraw/zinc/13/06/41/1071130641.db2.gz MXCZGZKVQZPRNX-QRVIBDJDSA-N 0 1 547.007 6.051 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408918441 1071136238 /nfs/dbraw/zinc/13/62/38/1071136238.db2.gz KNLWCGYMRVLZET-JAIQZWGSSA-N 0 1 600.422 5.305 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408695606 1071383751 /nfs/dbraw/zinc/38/37/51/1071383751.db2.gz WSUDVEFWXLQMII-YBFXNURJSA-N 0 1 639.284 5.436 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(Br)cc1OCc1cccc2ccccc21 ZINC000408694908 1071386310 /nfs/dbraw/zinc/38/63/10/1071386310.db2.gz NUFQMOIAPRYMNO-OEAKJJBVSA-N 0 1 563.448 5.984 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000408694511 1071386849 /nfs/dbraw/zinc/38/68/49/1071386849.db2.gz IWWVZCCDJNVUPW-JJIBRWJFSA-N 0 1 556.688 5.691 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408692343 1071394552 /nfs/dbraw/zinc/39/45/52/1071394552.db2.gz KHYZDXWTJZMKKZ-LZYBPNLTSA-N 0 1 615.251 5.590 40 10 KKCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1 ZINC000408692436 1071395557 /nfs/dbraw/zinc/39/55/57/1071395557.db2.gz MIPFGRCZQIPZDD-CXUHLZMHSA-N 0 1 585.225 5.581 40 10 KKCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 ZINC000408691964 1071396935 /nfs/dbraw/zinc/39/69/35/1071396935.db2.gz ABPHYHMYVDLHFS-DIBXZPPDSA-N 0 1 546.583 6.124 40 10 KKCBMN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(Br)cc4C)C3=O)c2C)c1 ZINC000408966159 1071411717 /nfs/dbraw/zinc/41/17/17/1071411717.db2.gz KECOBSMEPFDOJG-HYARGMPZSA-N 0 1 566.477 5.173 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1cccc(I)c1 ZINC000408965466 1071414092 /nfs/dbraw/zinc/41/40/92/1071414092.db2.gz HSLRTAFXHHXATD-GIJQJNRQSA-N 0 1 579.822 5.323 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccccc1Br ZINC000408963807 1071421453 /nfs/dbraw/zinc/42/14/53/1071421453.db2.gz AFBFSYORWIFLPJ-MHWRWJLKSA-N 0 1 532.822 5.480 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408723566 1071527695 /nfs/dbraw/zinc/52/76/95/1071527695.db2.gz WPDDQKOXPODTOB-RGVLZGJSSA-N 0 1 653.325 6.407 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408723439 1071528164 /nfs/dbraw/zinc/52/81/64/1071528164.db2.gz UUZDNKWKHKYJFP-OMCISZLKSA-N 0 1 708.188 7.324 40 10 KKCBMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000408723400 1071528268 /nfs/dbraw/zinc/52/82/68/1071528268.db2.gz UAWXPEAXFVVUQH-VCHYOVAHSA-N 0 1 606.723 6.275 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408723227 1071530324 /nfs/dbraw/zinc/53/03/24/1071530324.db2.gz RLMXDZASOZMCMO-FSJBWODESA-N 0 1 607.913 6.675 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408722710 1071532200 /nfs/dbraw/zinc/53/22/00/1071532200.db2.gz MPTHTRJSFFGBPX-RQZCQDPDSA-N 0 1 647.847 5.941 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408722557 1071532739 /nfs/dbraw/zinc/53/27/39/1071532739.db2.gz KNISQHKWSOWLDY-UFWORHAWSA-N 0 1 687.770 7.060 40 10 KKCBMN Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(/C=C5/C(=O)NC(=S)N(c6ccc(C)c(Cl)c6)C5=O)cc4[N+](=O)[O-])sc3c2)cc1 ZINC000408994312 1071559401 /nfs/dbraw/zinc/55/94/01/1071559401.db2.gz ZFVTXKCOHONLOW-YDZHTSKRSA-N 0 1 700.223 7.710 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)c7ccccc7C6=O)cc5s4)o3)C(=O)NC2=S)c(C)c1 ZINC000408994579 1071557951 /nfs/dbraw/zinc/55/79/51/1071557951.db2.gz ZSUCOYYUZSEBTA-PXLXIMEGSA-N 0 1 636.736 6.289 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)c7ccccc7C6=O)cc5s4)o3)C(=O)NC2=S)cc1C ZINC000408992664 1071570652 /nfs/dbraw/zinc/57/06/52/1071570652.db2.gz STKXJWZGPSWSKS-HZHRSRAPSA-N 0 1 636.736 6.289 40 10 KKCBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)[C@@H]7CCCC[C@@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)c1 ZINC000408991456 1071579546 /nfs/dbraw/zinc/57/95/46/1071579546.db2.gz OGLKSJJJWALMLX-ZRXGRHLGSA-N 0 1 697.820 6.483 40 10 KKCBMN COc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc1Br ZINC000408739888 1071602212 /nfs/dbraw/zinc/60/22/12/1071602212.db2.gz BLJUCVRLLPPRCM-WUXMJOGZSA-N 0 1 589.103 5.122 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)c7ccccc7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1 ZINC000408987954 1071608249 /nfs/dbraw/zinc/60/82/49/1071608249.db2.gz CDGATQGUAAOXRB-OEAKJJBVSA-N 0 1 677.745 6.296 40 10 KKCBMN CCOc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Br)cc4)c(Br)c3)C(=O)NC2=S)c1 ZINC000408744028 1071616656 /nfs/dbraw/zinc/61/66/56/1071616656.db2.gz YEKIZFSVVLITRO-CIAFOILYSA-N 0 1 616.331 6.021 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408743672 1071617938 /nfs/dbraw/zinc/61/79/38/1071617938.db2.gz WYEUZBSDVBEDEI-RGVLZGJSSA-N 0 1 527.429 5.721 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccccc1 ZINC000408743336 1071618379 /nfs/dbraw/zinc/61/83/79/1071618379.db2.gz VRLIAXIAADHTSK-FYJGNVAPSA-N 0 1 537.435 5.258 40 10 KKCBMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2ccc(I)cc2)o1 ZINC000408743285 1071618463 /nfs/dbraw/zinc/61/84/63/1071618463.db2.gz RXBLEVVCKZMEQP-GZTJUZNOSA-N 0 1 534.762 5.036 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000408742552 1071620598 /nfs/dbraw/zinc/62/05/98/1071620598.db2.gz ROVQGDHNINOKFK-BKUYFWCQSA-N 0 1 508.441 5.305 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(OCc2ccc(I)cc2)cc1 ZINC000408995818 1071622089 /nfs/dbraw/zinc/62/20/89/1071622089.db2.gz NOTYBVOMKGLXTI-CIAFOILYSA-N 0 1 619.278 5.464 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000408742160 1071622283 /nfs/dbraw/zinc/62/22/83/1071622283.db2.gz PTBKQDISSXKDER-NDENLUEZSA-N 0 1 620.310 5.601 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000408741021 1071627731 /nfs/dbraw/zinc/62/77/31/1071627731.db2.gz JGSFVMQGISIPNY-JAIQZWGSSA-N 0 1 606.283 5.293 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc(I)c1OCc1ccccc1 ZINC000408741978 1071622838 /nfs/dbraw/zinc/62/28/38/1071622838.db2.gz OSJSJYXFLDFXLI-YBFXNURJSA-N 0 1 663.331 5.781 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408741687 1071623790 /nfs/dbraw/zinc/62/37/90/1071623790.db2.gz NEKYJORQZROAIX-YBFXNURJSA-N 0 1 618.880 5.672 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000408741217 1071626198 /nfs/dbraw/zinc/62/61/98/1071626198.db2.gz KRQVFYUINMTTNT-WSDLNYQXSA-N 0 1 508.441 5.305 40 10 KKCBMN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)o1 ZINC000408740822 1071628540 /nfs/dbraw/zinc/62/85/40/1071628540.db2.gz IGUJUQVYSOYATH-WQRHYEAKSA-N 0 1 526.368 5.065 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408740596 1071629625 /nfs/dbraw/zinc/62/96/25/1071629625.db2.gz HGMTVQUNZQPMCE-OYKKKHCWSA-N 0 1 587.495 6.330 40 10 KKCBMN CCOc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Br)cc4)cc3)C(=O)NC2=S)c1 ZINC000408740219 1071630766 /nfs/dbraw/zinc/63/07/66/1071630766.db2.gz DXUHSOBHARXQKF-OEAKJJBVSA-N 0 1 537.435 5.258 40 10 KKCBMN CCOc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C(=O)NC2=S)c1 ZINC000408740270 1071631437 /nfs/dbraw/zinc/63/14/37/1071631437.db2.gz JSAHEIVBVJUGNM-WSDLNYQXSA-N 0 1 527.429 5.802 40 10 KKCBMN Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1N=Cc1c(C)[nH]n(-c2ccc(Br)cc2C)c1=O ZINC000408756806 1071636565 /nfs/dbraw/zinc/63/65/65/1071636565.db2.gz JTJOIIKVLWVONV-UDWIEESQSA-N 0 1 509.364 5.187 40 10 KKCBMN COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(/N=N/c6ccccc6)cc5O)c(=O)n42)c2ccccc2CC3)cc1 ZINC000408755830 1071641045 /nfs/dbraw/zinc/64/10/45/1071641045.db2.gz GBOKZPYUMRYPDZ-FBBBDQANSA-N 0 1 570.674 6.448 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408998464 1071658522 /nfs/dbraw/zinc/65/85/22/1071658522.db2.gz UNONPXVOISFIFB-MHWRWJLKSA-N 0 1 685.221 7.246 40 10 KKCBMN Cc1cc(Br)ccc1N1C(=O)/C(=C\c2cn(CC(=O)Nc3ccccc3)c3ccccc23)C(=O)NC1=S ZINC000408753467 1071659189 /nfs/dbraw/zinc/65/91/89/1071659189.db2.gz MXKNRJSUEYBJBD-HMAPJEAMSA-N 0 1 573.472 5.182 40 10 KKCBMN CCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Br)c4)C3=O)c2C)cc1 ZINC000408752676 1071663796 /nfs/dbraw/zinc/66/37/96/1071663796.db2.gz JERVZCRHZYTBSL-LPYMAVHISA-N 0 1 508.441 5.250 40 10 KKCBMN Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1Cl ZINC000409012795 1071682473 /nfs/dbraw/zinc/68/24/73/1071682473.db2.gz KUHWHJVEVOGLJS-WOJGMQOQSA-N 0 1 500.805 5.033 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1cccc(Cl)c1 ZINC000408766635 1071718230 /nfs/dbraw/zinc/71/82/30/1071718230.db2.gz WDIMPUSAIFCSKP-GIJQJNRQSA-N 0 1 504.826 5.886 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409022339 1071719439 /nfs/dbraw/zinc/71/94/39/1071719439.db2.gz KOCXALWRRCXDPE-CVKSISIWSA-N 0 1 572.643 6.124 40 10 KKCBMN CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)c2c1 ZINC000408773274 1071768769 /nfs/dbraw/zinc/76/87/69/1071768769.db2.gz JQYYBQAIEKECHT-KGENOOAVSA-N 0 1 525.424 5.231 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408772783 1071771772 /nfs/dbraw/zinc/77/17/72/1071771772.db2.gz MZLKFRDFEDTRJO-JVWAILMASA-N 0 1 679.434 7.338 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408782336 1071812704 /nfs/dbraw/zinc/81/27/04/1071812704.db2.gz HRZGOWNHYCDQGD-BUVRLJJBSA-N 0 1 583.582 5.534 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4)c3C)C(=O)NC2=S)cc1 ZINC000408777329 1071844152 /nfs/dbraw/zinc/84/41/52/1071844152.db2.gz YPHUDOHJZANIAK-WGOQTCKBSA-N 0 1 611.636 6.097 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408784769 1071861800 /nfs/dbraw/zinc/86/18/00/1071861800.db2.gz XGCYVJHLKRZNRO-CVKSISIWSA-N 0 1 611.636 6.151 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4sc5c(c4C(=O)OC)CCCC5)c3C)C(=O)NC2=S)cc1 ZINC000408783210 1071872327 /nfs/dbraw/zinc/87/23/27/1071872327.db2.gz MFBFRZAALVEDAL-PXLXIMEGSA-N 0 1 547.702 5.215 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408788292 1071899758 /nfs/dbraw/zinc/89/97/58/1071899758.db2.gz DOXNPOYRDXOUEG-OGLMXYFKSA-N 0 1 614.565 6.884 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000409070240 1072097034 /nfs/dbraw/zinc/09/70/34/1072097034.db2.gz YHPMYEWSTGGDSP-SFQUDFHCSA-N 0 1 519.862 6.629 40 10 KKCBMN Cc1ccc(-c2ccc(/C=C3/C(=O)NC(=S)N(c4cccc(Cl)c4C)C3=O)o2)c(Br)c1 ZINC000409093638 1072251690 /nfs/dbraw/zinc/25/16/90/1072251690.db2.gz AXAYBLLUEXZDRO-WJDWOHSUSA-N 0 1 515.816 5.811 40 10 KKCBMN CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4C)C3=O)c2C)cc1 ZINC000409092449 1072263020 /nfs/dbraw/zinc/26/30/20/1072263020.db2.gz YIQKCKSVZSNXAT-KGENOOAVSA-N 0 1 522.026 5.064 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000409090890 1072275494 /nfs/dbraw/zinc/27/54/94/1072275494.db2.gz RDEXONISWHWZBW-LICLKQGHSA-N 0 1 518.853 6.194 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1cccc(I)c1 ZINC000409091408 1072272239 /nfs/dbraw/zinc/27/22/39/1072272239.db2.gz UBEPPEKVVHJHMY-YBFXNURJSA-N 0 1 575.859 5.492 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(OCc5ccccc5F)cc4)c3C)C(=O)NC2=S)c(OC)c1 ZINC000409102177 1072309485 /nfs/dbraw/zinc/30/94/85/1072309485.db2.gz CZRKDXPSEHKMLL-WGOQTCKBSA-N 0 1 585.657 5.661 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C(=O)NC2=S)c(OC)c1 ZINC000409102086 1072311341 /nfs/dbraw/zinc/31/13/41/1072311341.db2.gz UUDZJSNFTWWGTD-GDNBJRDFSA-N 0 1 503.363 5.102 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCC ZINC000409100783 1072318551 /nfs/dbraw/zinc/31/85/51/1072318551.db2.gz WSJXZWVRPOGNCR-NTEUORMPSA-N 0 1 523.836 5.040 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000409106010 1072346510 /nfs/dbraw/zinc/34/65/10/1072346510.db2.gz KKKGKSUQGPNZRT-UNOMPAQXSA-N 0 1 528.859 5.650 40 10 KKCBMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(/N=N/c4ccccc4)cc3O)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000409333580 1072352401 /nfs/dbraw/zinc/35/24/01/1072352401.db2.gz HXXFUQDUIZOGTG-NEPBQVNBSA-N 0 1 598.681 5.327 40 10 KKCBMN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409329062 1072388107 /nfs/dbraw/zinc/38/81/07/1072388107.db2.gz CMVRKMZYVNWGLK-FYJGNVAPSA-N 0 1 531.080 5.925 40 10 KKCBMN COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OCc1ccccc1F ZINC000409328681 1072391236 /nfs/dbraw/zinc/39/12/36/1072391236.db2.gz ZTWUGUJIRGPHPV-UDWIEESQSA-N 0 1 500.598 5.021 40 10 KKCBMN O=C1/C(=C\c2cc(I)c(O)c(I)c2)SC(=S)N1c1ccc(Br)cc1 ZINC000409328451 1072391850 /nfs/dbraw/zinc/39/18/50/1072391850.db2.gz VQBPVHBGSGCHAK-NTUHNPAUSA-N 0 1 644.091 5.770 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4)c3C)C(=O)NC2=S)c(OC)c1 ZINC000409108543 1072405234 /nfs/dbraw/zinc/40/52/34/1072405234.db2.gz WRCUPYZAOMANHT-ZVHZXABRSA-N 0 1 643.634 5.551 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3c(OCc4ccc(Cl)cc4)ccc4ccccc43)C2=O)cc1OC ZINC000409127199 1072448175 /nfs/dbraw/zinc/44/81/75/1072448175.db2.gz CARQZDNRBSEDJS-OVVQPSECSA-N 0 1 585.056 6.532 40 10 KKCBMN COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc(Br)c1OCc1ccccn1 ZINC000409341784 1072454843 /nfs/dbraw/zinc/45/48/43/1072454843.db2.gz CCXQDEHYGCPVCM-WOJGMQOQSA-N 0 1 562.492 5.039 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)C2=O)cc1OC ZINC000409135827 1072483768 /nfs/dbraw/zinc/48/37/68/1072483768.db2.gz QTCARVLSHWLFJG-UFFVCSGVSA-N 0 1 633.912 6.694 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Br)cc4)c(OC)c3)C2=O)cc1OC ZINC000409135237 1072487734 /nfs/dbraw/zinc/48/77/34/1072487734.db2.gz VXAOITUOMDRKAT-OEAKJJBVSA-N 0 1 609.473 5.496 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCc3ccc(F)cc3)C2=O)cc1OC ZINC000409134538 1072491149 /nfs/dbraw/zinc/49/11/49/1072491149.db2.gz SASCBUIDUDKDOU-HZHRSRAPSA-N 0 1 597.437 5.627 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(OCC)c3)C2=O)cc1OC ZINC000409133360 1072498833 /nfs/dbraw/zinc/49/88/33/1072498833.db2.gz SRCHSFJBVQLTJH-YDZHTSKRSA-N 0 1 613.494 6.431 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccc(C)cc4)c(OC)c3)C2=O)cc1OC ZINC000409130461 1072514291 /nfs/dbraw/zinc/51/42/91/1072514291.db2.gz HYFBKDMYELISLP-YDZHTSKRSA-N 0 1 623.500 5.805 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4ccccc4Cl)c(OCC)c3)C2=O)cc1OC ZINC000409129885 1072517479 /nfs/dbraw/zinc/51/74/79/1072517479.db2.gz MOVUDCGGQXCHIA-LPYMAVHISA-N 0 1 704.945 6.382 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OS(=O)(=O)c4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409129193 1072521324 /nfs/dbraw/zinc/52/13/24/1072521324.db2.gz FLZRNDNNFURYSN-LPYMAVHISA-N 0 1 754.983 5.570 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000409128052 1072527967 /nfs/dbraw/zinc/52/79/67/1072527967.db2.gz RJFQVKNFCVRZPQ-IMRQLAEWSA-N 0 1 505.643 6.209 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(Cl)cc4)c(Br)c3)C2=O)cc1OC ZINC000409144491 1072533910 /nfs/dbraw/zinc/53/39/10/1072533910.db2.gz ODVKRBCYNADRDN-FYJGNVAPSA-N 0 1 663.930 5.330 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1OC ZINC000409138493 1072569353 /nfs/dbraw/zinc/56/93/53/1072569353.db2.gz CPYLNRTYTNFPSG-WSDLNYQXSA-N 0 1 610.019 5.295 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(Cl)c4)c(OC)c3)C2=O)cc1OC ZINC000409137586 1072575766 /nfs/dbraw/zinc/57/57/66/1072575766.db2.gz WBCXNMBOXQTTLJ-OEAKJJBVSA-N 0 1 565.022 5.387 40 10 KKCBMN Cc1cccc(NC(=O)Cn2cc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)c3ccccc32)c1 ZINC000409146180 1072583776 /nfs/dbraw/zinc/58/37/76/1072583776.db2.gz KAWPMRIPLFQSCU-BUVRLJJBSA-N 0 1 522.630 5.037 40 10 KKCBMN Cc1ccc(NC(=O)Cn2cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)c3ccccc32)cc1 ZINC000409145584 1072586919 /nfs/dbraw/zinc/58/69/19/1072586919.db2.gz IVWUQOIAGAKIKW-BUVRLJJBSA-N 0 1 522.630 5.037 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc5ccccc5c4)c(I)c3)C(=O)NC2=S)cc1 ZINC000409375694 1072632217 /nfs/dbraw/zinc/63/22/17/1072632217.db2.gz OAJOILLFQFGUBU-PCLIKHOPSA-N 0 1 618.496 6.417 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409373067 1072643496 /nfs/dbraw/zinc/64/34/96/1072643496.db2.gz QKWOHXNURYGISN-VXLYETTFSA-N 0 1 515.349 5.226 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409372986 1072643546 /nfs/dbraw/zinc/64/35/46/1072643546.db2.gz OUQGEBSZRHXSID-WSDLNYQXSA-N 0 1 608.388 5.287 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409372508 1072644476 /nfs/dbraw/zinc/64/44/76/1072644476.db2.gz LJBMEFJEIABRFT-QGMBQPNBSA-N 0 1 594.245 5.989 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1ccc2ccccc2c1 ZINC000409372449 1072645558 /nfs/dbraw/zinc/64/55/58/1072645558.db2.gz DOOHTXPGBUCKHF-YDZHTSKRSA-N 0 1 530.964 5.726 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc(Cl)c(Cl)c3)C(=O)NC2=S)cc1 ZINC000409370271 1072655334 /nfs/dbraw/zinc/65/53/34/1072655334.db2.gz NZMWEKBFCCBJHC-XSFVSMFZSA-N 0 1 511.430 5.966 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccccc1F ZINC000409379280 1072671167 /nfs/dbraw/zinc/67/11/67/1072671167.db2.gz WMDDMEJHJOSLGH-PXLXIMEGSA-N 0 1 504.583 5.197 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccc(I)cc4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409378894 1072673565 /nfs/dbraw/zinc/67/35/65/1072673565.db2.gz TVUALDYCBLLDCI-CIAFOILYSA-N 0 1 677.358 6.035 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc(Br)cc4)c3-c3ccccc3)C(=O)NC2=S)cc1 ZINC000409378495 1072674644 /nfs/dbraw/zinc/67/46/44/1072674644.db2.gz QEFPTYHZNLTRPI-OFWBYEQRSA-N 0 1 632.583 7.968 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OCc4cccc(F)c4)cc3Br)C(=O)NC2=S)cc1 ZINC000409378476 1072676191 /nfs/dbraw/zinc/67/61/91/1072676191.db2.gz PUHUUTCEHREUJP-CIAFOILYSA-N 0 1 569.452 5.570 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3c(OCc4ccc(Br)cc4)ccc4ccccc43)C(=O)NC2=S)cc1 ZINC000409386936 1072684412 /nfs/dbraw/zinc/68/44/12/1072684412.db2.gz ORVNKHXPZUXREK-YZSQISJMSA-N 0 1 571.496 6.575 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCc4ccc(I)cc4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409385848 1072690617 /nfs/dbraw/zinc/69/06/17/1072690617.db2.gz KJYLPJYKRPUGNP-CIAFOILYSA-N 0 1 632.907 5.926 40 10 KKCBMN CC[C@H](C)Oc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OC ZINC000409385790 1072692006 /nfs/dbraw/zinc/69/20/06/1072692006.db2.gz KHERTJZMHYUISB-ZWSXMNCCSA-N 0 1 513.830 5.664 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000409385376 1072692947 /nfs/dbraw/zinc/69/29/47/1072692947.db2.gz IEGHRRVNOWFIDX-LPYMAVHISA-N 0 1 630.479 5.802 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Br)cc4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409385036 1072696190 /nfs/dbraw/zinc/69/61/90/1072696190.db2.gz GQUSRWMDDJCAQJ-HYARGMPZSA-N 0 1 551.462 5.430 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1ccc(I)cc1 ZINC000409383605 1072700892 /nfs/dbraw/zinc/70/08/92/1072700892.db2.gz XZONSVCQPZPNRG-LPYMAVHISA-N 0 1 738.385 6.267 40 10 KKCBMN CC[C@H](C)Oc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1OC ZINC000409383537 1072701903 /nfs/dbraw/zinc/70/19/03/1072701903.db2.gz WKNAJGWLBYSZKU-RGZVIEDOSA-N 0 1 523.836 5.120 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OCC(=O)Nc4ccc(F)cc4)cc3Br)C(=O)NC2=S)cc1 ZINC000409383407 1072702824 /nfs/dbraw/zinc/70/28/24/1072702824.db2.gz URJMUHPGBFPWPW-CIAFOILYSA-N 0 1 612.477 5.008 40 10 KKCBMN COc1ccccc1N1C(=O)/C(=C\c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)C(=O)NC1=S ZINC000409166455 1072704574 /nfs/dbraw/zinc/70/45/74/1072704574.db2.gz FZEOXCABAKEAEV-BWAHOGKJSA-N 0 1 507.615 5.601 40 10 KKCBMN COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c2C)C(=O)NC1=S ZINC000409173768 1072726373 /nfs/dbraw/zinc/72/63/73/1072726373.db2.gz RQSONHSARZRFLJ-HZHRSRAPSA-N 0 1 613.608 5.543 40 10 KKCBMN COc1ccccc1N1C(=O)/C(=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)C(=O)NC1=S ZINC000409172553 1072733096 /nfs/dbraw/zinc/73/30/96/1072733096.db2.gz KQWUZSSZRUJBPW-KOEQRZSOSA-N 0 1 517.610 5.683 40 10 KKCBMN COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(Br)c(Cl)c3)o2)C(=O)NC1=S ZINC000409172416 1072733720 /nfs/dbraw/zinc/73/37/20/1072733720.db2.gz HNRNKQGMLSFIPY-SDNWHVSQSA-N 0 1 517.788 5.202 40 10 KKCBMN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Br)cc4Br)cc3)C(=O)NC2=S)cc1 ZINC000409186965 1072760658 /nfs/dbraw/zinc/76/06/58/1072760658.db2.gz KFNZGLJYMJFZBM-LPYMAVHISA-N 0 1 616.331 6.021 40 10 KKCBMN C=C/C=C\C(=C/C)N1C(=O)C(=Cc2c(C)[nH]n(-c3ccccc3)c2=O)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186155 1072764136 /nfs/dbraw/zinc/76/41/36/1072764136.db2.gz XUBXPUQVWSSRGF-NSUSTCFTSA-N 0 1 643.769 5.962 40 10 KKCBMN C=C/C=C\C(=C/C)N1C(=O)C(=Cc2c(O)n(-c3ccc(C)c(C)c3)c(=S)[nH]c2=O)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186161 1072764572 /nfs/dbraw/zinc/76/45/72/1072764572.db2.gz XVSNCVFAGVZDIT-WPMSXZSSSA-N 0 1 717.873 5.604 40 10 KKCBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409404483 1072765753 /nfs/dbraw/zinc/76/57/53/1072765753.db2.gz DAXJSUSGSYWYSK-ODLFYWEKSA-N 0 1 558.226 5.261 40 10 KKCBMN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)cc(Br)c2O)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185727 1072769298 /nfs/dbraw/zinc/76/92/98/1072769298.db2.gz PDKDSQJSMOAMPG-VRKORRMZSA-N 0 1 677.020 7.201 40 10 KKCBMN C=C/C=C\C(=C/C)N1C(=O)/C(=C\c2cc(Br)cc(I)c2O)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185500 1072769783 /nfs/dbraw/zinc/76/97/83/1072769783.db2.gz MBTIEVUZOOFWFT-AMOHQIIPSA-N 0 1 768.471 7.153 40 10 KKCBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000409410175 1072807460 /nfs/dbraw/zinc/80/74/60/1072807460.db2.gz ZWXYWDZSFMKEFD-ODLFYWEKSA-N 0 1 513.775 5.152 40 10 KKCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Br)cc2Br)cc1 ZINC000409409752 1072808198 /nfs/dbraw/zinc/80/81/98/1072808198.db2.gz WTYMUKIUCNHJCR-NDENLUEZSA-N 0 1 528.200 5.252 40 10 KKCBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCc1ccc(Br)cc1 ZINC000409409809 1072808732 /nfs/dbraw/zinc/80/87/32/1072808732.db2.gz XHACQUDOSDKQIM-ODLFYWEKSA-N 0 1 558.226 5.261 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409409457 1072809945 /nfs/dbraw/zinc/80/99/45/1072809945.db2.gz VKPNIBVXGBQLKR-UNOMPAQXSA-N 0 1 574.802 5.384 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCc1ccccc1Cl ZINC000409409160 1072811624 /nfs/dbraw/zinc/81/16/24/1072811624.db2.gz TWDMTNUJWIPCJK-UNOMPAQXSA-N 0 1 527.802 5.542 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409408556 1072815821 /nfs/dbraw/zinc/81/58/21/1072815821.db2.gz RFJDXWMGYKLEAZ-IWIPYMOSSA-N 0 1 590.417 5.884 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(Cl)c4)c(OCC)c3)C2=O)cc1OCC ZINC000409195101 1072839587 /nfs/dbraw/zinc/83/95/87/1072839587.db2.gz TTYWUNUTVCMLQY-PCLIKHOPSA-N 0 1 593.076 6.167 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccc(Br)cc4)c3)C2=O)cc1OCC ZINC000409195085 1072839645 /nfs/dbraw/zinc/83/96/45/1072839645.db2.gz RFJLTIDCXISQLC-XYGWBWBKSA-N 0 1 593.474 5.878 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Br)cc(Br)c3OCc3ccc(C)cc3)C2=O)cc1OCC ZINC000409194625 1072842449 /nfs/dbraw/zinc/84/24/49/1072842449.db2.gz QHSKKRXKHCXYGU-BUVRLJJBSA-N 0 1 686.397 6.949 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Cl)cc(Cl)c3OCc3ccc(Br)cc3)C2=O)cc1OCC ZINC000409194519 1072843727 /nfs/dbraw/zinc/84/37/27/1072843727.db2.gz ONEUTGLKMWXSFF-OEAKJJBVSA-N 0 1 662.364 7.184 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OS(=O)(=O)c4ccccc4)c(OCC)c3)C2=O)cc1OCC ZINC000409194017 1072846688 /nfs/dbraw/zinc/84/66/88/1072846688.db2.gz MKVOPCSASGTKGN-HZHRSRAPSA-N 0 1 643.114 5.356 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)C2=O)cc1OCC ZINC000409194070 1072847030 /nfs/dbraw/zinc/84/70/30/1072847030.db2.gz NBIHVBQOGVZDJX-KOEQRZSOSA-N 0 1 514.578 5.115 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccccc4)c(Br)c3)C2=O)cc1OCC ZINC000409192132 1072857800 /nfs/dbraw/zinc/85/78/00/1072857800.db2.gz ATIBRFDEEHZECJ-LPYMAVHISA-N 0 1 672.370 6.640 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc(Cl)cc4)c(Cl)c3)C2=O)cc1OCC ZINC000409192016 1072858856 /nfs/dbraw/zinc/85/88/56/1072858856.db2.gz SIVIFQXEIRPDHX-WSDLNYQXSA-N 0 1 617.913 7.075 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCCC)c(OCC)c3)C2=O)cc1OCC ZINC000409191606 1072862306 /nfs/dbraw/zinc/86/23/06/1072862306.db2.gz JALUEDJMPNLBCI-DEDYPNTBSA-N 0 1 589.483 5.486 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccc(F)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409190444 1072870887 /nfs/dbraw/zinc/87/08/87/1072870887.db2.gz NMUQPOIVLRLOTE-ZVHZXABRSA-N 0 1 655.517 6.415 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OS(=O)(=O)c4ccccc4)c(OCC)c3)C2=O)cc1OCC ZINC000409189935 1072873208 /nfs/dbraw/zinc/87/32/08/1072873208.db2.gz NWUVHOVICHYFQL-HZHRSRAPSA-N 0 1 687.565 5.465 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OS(=O)(=O)c4ccc(C)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409189843 1072874398 /nfs/dbraw/zinc/87/43/98/1072874398.db2.gz UEOSLYNIRASSJA-BUVRLJJBSA-N 0 1 748.592 5.616 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4ccc(Br)cc4)c(OC)c3)C2=O)cc1OCC ZINC000409189009 1072878754 /nfs/dbraw/zinc/87/87/54/1072878754.db2.gz MSSNRYTVFNROLZ-YDZHTSKRSA-N 0 1 749.396 6.491 40 10 KKCBMN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3Br)cc2)C(=O)NC1=S ZINC000409188449 1072882452 /nfs/dbraw/zinc/88/24/52/1072882452.db2.gz ZGFNRRWHXHZIIL-RGVLZGJSSA-N 0 1 665.201 6.693 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)C2=O)cc1OCC ZINC000409187909 1072884581 /nfs/dbraw/zinc/88/45/81/1072884581.db2.gz CWWQYZJERZVRCL-YDZHTSKRSA-N 0 1 613.494 6.431 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCCC)c(OC)c3)C2=O)cc1OCC ZINC000409187711 1072885355 /nfs/dbraw/zinc/88/53/55/1072885355.db2.gz AVKBJSZUAICABL-XDHOZWIPSA-N 0 1 575.456 5.096 40 10 KKCBMN CC(C)c1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C(=O)NC2=S)cc1 ZINC000409220809 1073003328 /nfs/dbraw/zinc/00/33/28/1073003328.db2.gz GCZFRUVVQPJTSD-UNOMPAQXSA-N 0 1 540.395 5.572 40 10 KKCBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3cn(CC(=O)Nc4ccc(Cl)cc4)c4ccccc34)C(=O)NC2=S)c1 ZINC000409229314 1073021113 /nfs/dbraw/zinc/02/11/13/1073021113.db2.gz NBAMFBFTNXYHDO-OEAKJJBVSA-N 0 1 543.048 5.382 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409227592 1073031120 /nfs/dbraw/zinc/03/11/20/1073031120.db2.gz QMTZLONMOJXWPQ-MUFRIFMGSA-N 0 1 618.586 7.935 40 10 KKCBMN O=C(Cn1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c2ccccc21)Nc1ccc(F)cc1 ZINC000409237176 1073032665 /nfs/dbraw/zinc/03/26/65/1073032665.db2.gz JVJADEVKSZKYKF-WSDLNYQXSA-N 0 1 566.536 5.269 40 10 KKCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000409235029 1073046375 /nfs/dbraw/zinc/04/63/75/1073046375.db2.gz NPFLJVUIMIIEIC-MHWRWJLKSA-N 0 1 511.308 6.104 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000409233342 1073056835 /nfs/dbraw/zinc/05/68/35/1073056835.db2.gz FRBLWACHDZURSO-YBFXNURJSA-N 0 1 542.886 5.958 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000409233296 1073057132 /nfs/dbraw/zinc/05/71/32/1073057132.db2.gz FHVOMWXKRLAALK-JAIQZWGSSA-N 0 1 609.411 5.857 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000409233131 1073057487 /nfs/dbraw/zinc/05/74/87/1073057487.db2.gz QRRJARKJIQPQPE-JFLMPSFJSA-N 0 1 574.077 6.605 40 10 KKCBMN CCOc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C)cc4Br)o3)C(=O)NC2=S)cc1 ZINC000409232102 1073062752 /nfs/dbraw/zinc/06/27/52/1073062752.db2.gz GZKLEUMPZFUFRX-CPNJWEJPSA-N 0 1 511.397 5.248 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000409247271 1073071270 /nfs/dbraw/zinc/07/12/70/1073071270.db2.gz LWVFDNHFJTYKMK-UVTDQMKNSA-N 0 1 532.759 5.102 40 10 KKCBMN Cc1ccccc1N1C(=O)/C(=C/c2cn(CC(=O)Nc3ccc(Cl)cc3)c3ccccc23)C(=O)NC1=S ZINC000409247022 1073072426 /nfs/dbraw/zinc/07/24/26/1073072426.db2.gz FWGGPNHHMNSCEB-HYARGMPZSA-N 0 1 529.021 5.073 40 10 KKCBMN CC(C)c1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc(Br)cc4)c3-c3ccccc3)C(=O)NC2=S)cc1 ZINC000409246812 1073073248 /nfs/dbraw/zinc/07/32/48/1073073248.db2.gz DVCITAGDMGZQCH-YQYKVWLJSA-N 0 1 646.610 8.529 40 10 KKCBMN CCOc1cc(OCC)c(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1Br ZINC000409245668 1073081916 /nfs/dbraw/zinc/08/19/16/1073081916.db2.gz XHMZYOBQTPXLIS-OVCLIPMQSA-N 0 1 523.836 5.040 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc5ccccc5c4)c4ccccc34)C(=O)NC2=S)cc1Cl ZINC000409243262 1073093950 /nfs/dbraw/zinc/09/39/50/1073093950.db2.gz RIJVGCBMFRSWJD-CVKSISIWSA-N 0 1 536.056 6.636 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000409239863 1073111935 /nfs/dbraw/zinc/11/19/35/1073111935.db2.gz RDHUUSMXLLYVNO-HYARGMPZSA-N 0 1 574.018 5.674 40 10 KKCBMN CC(C)c1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccccc4)c3-c3ccccc3)C(=O)NC2=S)cc1 ZINC000409237548 1073126434 /nfs/dbraw/zinc/12/64/34/1073126434.db2.gz XIXWCRHKVJHVLC-VAMRJTSQSA-N 0 1 567.714 7.766 40 10 KKCBMN COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2C)c(C)c1 ZINC000409251177 1073131880 /nfs/dbraw/zinc/13/18/80/1073131880.db2.gz ZYTHSDGIBXURBS-CIAFOILYSA-N 0 1 541.551 5.039 40 10 KKCBMN Cc1ccc(NC(=O)Cn2cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(C)C)cc4)C3=O)c3ccccc32)cc1 ZINC000409250873 1073133306 /nfs/dbraw/zinc/13/33/06/1073133306.db2.gz OMCCIVMEIIALJG-WGOQTCKBSA-N 0 1 536.657 5.543 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1C ZINC000409248860 1073145258 /nfs/dbraw/zinc/14/52/58/1073145258.db2.gz RTIQPHYDVFXFSE-OEAKJJBVSA-N 0 1 502.596 5.265 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1 ZINC000409248318 1073149293 /nfs/dbraw/zinc/14/92/93/1073149293.db2.gz PNJKLAJYRHWLEN-KOEQRZSOSA-N 0 1 542.060 6.158 40 10 KKCBMN Cc1ccccc1N1C(=O)/C(=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)C(=O)NC1=S ZINC000409247622 1073153731 /nfs/dbraw/zinc/15/37/31/1073153731.db2.gz DUNUNGBLDPAYOZ-YZSQISJMSA-N 0 1 501.611 5.983 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000409254199 1073175850 /nfs/dbraw/zinc/17/58/50/1073175850.db2.gz VYUHLUMKYOOPLB-LFVJCYFKSA-N 0 1 576.505 6.811 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000409253259 1073181685 /nfs/dbraw/zinc/18/16/85/1073181685.db2.gz ZIEKWDPJDCBYRB-ZMOGYAJESA-N 0 1 651.579 6.553 40 10 KKCBMN Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)c1 ZINC000409258875 1073243391 /nfs/dbraw/zinc/24/33/91/1073243391.db2.gz WGTNPJAONQVWCZ-NDENLUEZSA-N 0 1 643.357 5.677 40 10 KKCBMN Cc1cccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2Br)c1 ZINC000409267738 1073287908 /nfs/dbraw/zinc/28/79/08/1073287908.db2.gz OTLMOXYJCXLPCM-ODLFYWEKSA-N 0 1 629.330 5.369 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)C(=O)NC2=S)cc1 ZINC000001406521 551661877 /nfs/dbraw/zinc/66/18/77/551661877.db2.gz XIQMMLKSGAUSLM-IMRQLAEWSA-N 0 1 507.615 5.601 40 10 KKCBMN O=C1[C@@H](NCc2c(O)ccc3ccccc32)CON1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000005052232 552492991 /nfs/dbraw/zinc/49/29/91/552492991.db2.gz RMBVREDXWMZMPL-PMERELPUSA-N 0 1 500.598 5.770 40 10 KKCBMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 ZINC000006474184 552592205 /nfs/dbraw/zinc/59/22/05/552592205.db2.gz GZTVWPSKXUQRPH-TURZUDJPSA-N 0 1 594.523 7.949 40 10 KKCBMN CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C(C)C)oc2c(C[N@H+]2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c1[O-] ZINC000009075597 553207351 /nfs/dbraw/zinc/20/73/51/553207351.db2.gz SMWOYMFBUREOQY-VTLMBFNKSA-N 0 1 527.709 7.139 40 10 KKCBMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCCCC4)cc3)ccc2Cl)c(C)c1 ZINC000010112135 553328760 /nfs/dbraw/zinc/32/87/60/553328760.db2.gz LHZDOQCSEXHANG-UHFFFAOYSA-N 0 1 512.075 5.678 40 10 KKCBMN COc1ccccc1N1C(=O)C(=Cc2cn(Cc3cccc4ccccc43)c3ccccc23)C(=O)NC1=S ZINC000096835854 553757619 /nfs/dbraw/zinc/75/76/19/553757619.db2.gz YJQIKHABRFZXLJ-KOEQRZSOSA-N 0 1 517.610 6.523 40 10 KKCBMN COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(OC)ccc4OC)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058849438 554368809 /nfs/dbraw/zinc/36/88/09/554368809.db2.gz ZXWOEOIFOAWQFV-OREGWCPLSA-N 0 1 520.607 5.118 40 10 KKCBMN COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC)c(OC)c2)N3)c1 ZINC000058849419 554368824 /nfs/dbraw/zinc/36/88/24/554368824.db2.gz AFTZIVWJONUMDE-BALWLHIASA-N 0 1 522.623 5.348 40 10 KKCBMN CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(OC)ccc4OC)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058849404 554368857 /nfs/dbraw/zinc/36/88/57/554368857.db2.gz ZLGDSTNUVYDEDY-SXDGJLEOSA-N 0 1 506.624 5.730 40 10 KKCBMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 ZINC000058849628 554369085 /nfs/dbraw/zinc/36/90/85/554369085.db2.gz PEEYQOGZNIQZNE-ATLLOTDBSA-N 0 1 501.435 6.629 40 10 KKCBMN COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2[N+](=O)[O-])N3)c1 ZINC000058849441 554369177 /nfs/dbraw/zinc/36/91/77/554369177.db2.gz GKMVAXBUFWGDOH-ANSQWYIGSA-N 0 1 507.568 5.239 40 10 KKCBMN COC(=O)c1c2c(sc1-n1c(C)cc(C=C3C(=O)NC(=O)N(Cc4ccccc4)C3=O)c1C)CCCC2 ZINC000059109496 554381016 /nfs/dbraw/zinc/38/10/16/554381016.db2.gz VSYWWAYSTMAUMN-KGENOOAVSA-N 0 1 517.607 5.323 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000059135709 554381960 /nfs/dbraw/zinc/38/19/60/554381960.db2.gz JTPYVIUFFOGIBR-LFIBNONCSA-N 0 1 508.443 5.106 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1cc(Br)ccc1OCc1ccccc1 ZINC000059136442 554382648 /nfs/dbraw/zinc/38/26/48/554382648.db2.gz TYYDHYFTOQYDSB-QGOAFFKASA-N 0 1 511.372 5.839 40 10 KKCBMN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1 ZINC000100931061 554527192 /nfs/dbraw/zinc/52/71/92/554527192.db2.gz REBQZFXJFZUHLO-PXLXIMEGSA-N 0 1 539.455 5.585 40 10 KKCBMN CCCc1ccc(C(=O)[C@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(OC)cc4C=C[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103332887 555360134 /nfs/dbraw/zinc/36/01/34/555360134.db2.gz LGZVEMJNEFQJAH-QJYBTNCXSA-N 0 1 548.683 6.236 40 10 KKCBMN CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)NC(=S)N(c4ccccc4F)C3=O)c2-c2ccccc2)cc1 ZINC000103850997 571364845 /nfs/dbraw/zinc/36/48/45/571364845.db2.gz RNBKLKDCBFKXAI-HFTWOUSFSA-N 0 1 615.686 6.958 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1 ZINC000103851592 571364981 /nfs/dbraw/zinc/36/49/81/571364981.db2.gz PHOAVZPYBJIUFY-CXUHLZMHSA-N 0 1 608.258 5.900 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000103851293 571364985 /nfs/dbraw/zinc/36/49/85/571364985.db2.gz KKOJSJBQAPERRB-MHWRWJLKSA-N 0 1 531.392 5.551 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccc2ccccc2c1 ZINC000103852055 571365235 /nfs/dbraw/zinc/36/52/35/571365235.db2.gz VTCDDUNEIAYVEJ-FYJGNVAPSA-N 0 1 547.007 6.051 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000103852052 571365316 /nfs/dbraw/zinc/36/53/16/571365316.db2.gz DMAUMGIRYUPWLD-FYJGNVAPSA-N 0 1 547.007 6.051 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000103852012 571365350 /nfs/dbraw/zinc/36/53/50/571365350.db2.gz BAWXPFMETGKWQO-LICLKQGHSA-N 0 1 575.843 5.661 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000103852434 571365425 /nfs/dbraw/zinc/36/54/25/571365425.db2.gz VYARWYSBBSEWII-YBFXNURJSA-N 0 1 524.404 5.967 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000103852641 571365516 /nfs/dbraw/zinc/36/55/16/571365516.db2.gz ZOOSVYXQBZYCEC-WOJGMQOQSA-N 0 1 600.422 5.305 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000103852658 571365664 /nfs/dbraw/zinc/36/56/64/571365664.db2.gz HDDNTTTWLSXBPB-HYARGMPZSA-N 0 1 605.485 6.550 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000103853254 571365741 /nfs/dbraw/zinc/36/57/41/571365741.db2.gz LFLPBMOFDRSIQP-LFIBNONCSA-N 0 1 580.262 6.305 40 10 KKCBMN CC(=O)NCCc1[nH]c(N=Nc2ccc(Br)cc2)nc1N=Nc1ccc(Br)cc1 ZINC000104182370 571376136 /nfs/dbraw/zinc/37/61/36/571376136.db2.gz SXIGKALKFGSRBE-MPCWFZQZSA-N 0 1 519.201 6.444 40 10 KKCBMN COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc(OC)c(OC)c(OC)c2)N3)c1 ZINC000104649598 571382938 /nfs/dbraw/zinc/38/29/38/571382938.db2.gz KJEAAXWAEVMGRX-BALWLHIASA-N 0 1 552.649 5.357 40 10 KKCBMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000104649758 571383033 /nfs/dbraw/zinc/38/30/33/571383033.db2.gz JNGBCOAYTHWCLX-YYULODDRSA-N 0 1 535.880 7.283 40 10 KKCBMN COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)ccc4OC)cc3[C@H]3C=CC[C@H]32)c(OC)c1 ZINC000104649796 571383102 /nfs/dbraw/zinc/38/31/02/571383102.db2.gz UWDWRILNLFTYRL-VKIDHGPPSA-N 0 1 527.042 5.993 40 10 KKCBMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC)c([N+](=O)[O-])c1)N2 ZINC000104649853 571383170 /nfs/dbraw/zinc/38/31/70/571383170.db2.gz QVYTWNMNURWJHQ-GNBJCERTSA-N 0 1 542.013 5.893 40 10 KKCBMN COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(/N=N/c6ccccc6)cc5O)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000104658647 571384655 /nfs/dbraw/zinc/38/46/55/571384655.db2.gz JJCAEOXDBNHWIY-CIVZHOBSSA-N 0 1 600.700 6.457 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000105288828 571392585 /nfs/dbraw/zinc/39/25/85/571392585.db2.gz QTWPWQRLSBRUPM-RGVLZGJSSA-N 0 1 616.331 5.939 40 10 KKCBMN CCN(CC)c1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc1 ZINC000223013188 571421587 /nfs/dbraw/zinc/42/15/87/571421587.db2.gz LTEXREVBTPRRCC-UHFFFAOYSA-N 0 1 500.064 5.534 40 10 KKCBMN CC(Nc1ccc(-c2nc3ccc(C)cc3s2)cc1)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 ZINC000112229407 571433914 /nfs/dbraw/zinc/43/39/14/571433914.db2.gz MQXXWXWSABWSRT-RRAHZORUSA-N 0 1 545.624 7.317 40 10 KKCBMN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc(Br)c1OCC(=O)Nc1cc(C)c(C)cc1Br ZINC000150390615 571472858 /nfs/dbraw/zinc/47/28/58/571472858.db2.gz LIAWWCHCWINVQV-WSDLNYQXSA-N 0 1 725.506 6.852 40 10 KKCBMN CCN(CC)c1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)cc1 ZINC000224140760 571484752 /nfs/dbraw/zinc/48/47/52/571484752.db2.gz PUHZQDQXKCBYIX-UHFFFAOYSA-N 0 1 500.064 5.534 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000150422992 571488670 /nfs/dbraw/zinc/48/86/70/571488670.db2.gz KYASZLPUBIADFW-NDENLUEZSA-N 0 1 629.432 5.008 40 10 KKCBMN CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223583167 571507478 /nfs/dbraw/zinc/50/74/78/571507478.db2.gz JYTDDEZLOBEBAG-BRFSQIRFSA-N 0 1 516.494 6.245 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000164387183 571546792 /nfs/dbraw/zinc/54/67/92/571546792.db2.gz FJAYBJVXBQNCEI-MHWRWJLKSA-N 0 1 622.843 5.503 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(I)c1 ZINC000164395402 571547004 /nfs/dbraw/zinc/54/70/04/571547004.db2.gz PFMMNWOIJLSCOP-VIZOYTHASA-N 0 1 681.277 5.332 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1 ZINC000164397805 571547237 /nfs/dbraw/zinc/54/72/37/571547237.db2.gz JDELFGYXJHBYQT-CXUHLZMHSA-N 0 1 763.164 6.208 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(I)cc1 ZINC000164410378 571547417 /nfs/dbraw/zinc/54/74/17/571547417.db2.gz CFPPEZDJIRMICE-LDADJPATSA-N 0 1 637.268 5.603 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000164407161 571547434 /nfs/dbraw/zinc/54/74/34/571547434.db2.gz FYVFSACHIWNYFN-HYARGMPZSA-N 0 1 652.485 6.393 40 10 KKCBMN Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C1=O)[C@H](C)CC(C)(C)N2C ZINC000208235003 571573449 /nfs/dbraw/zinc/57/34/49/571573449.db2.gz QDBIVCCMLUTLAJ-SWEABUAFSA-N 0 1 502.467 5.855 40 10 KKCBMN CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)cc2[C@H](C)CC1(C)C ZINC000208312185 571573835 /nfs/dbraw/zinc/57/38/35/571573835.db2.gz VRWPZRMUPCUABS-OOWUWCJESA-N 0 1 512.473 5.393 40 10 KKCBMN CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)cc21 ZINC000208474581 571574486 /nfs/dbraw/zinc/57/44/86/571574486.db2.gz YTICCSRJTNSOOO-VCHYOVAHSA-N 0 1 530.875 5.566 40 10 KKCBMN CN1CCN(c2ccc(CNC(=S)Nc3cccc(C(=O)c4ccc(C(C)(C)C)cc4)c3)cc2)CC1 ZINC000225776984 572066281 /nfs/dbraw/zinc/06/62/81/572066281.db2.gz GHEQMCZSWMYJRY-UHFFFAOYSA-N 0 1 500.712 5.454 40 10 KKCBMN CCn1c2cc(Br)c(NC=C3C(=O)N(c4ccc(Br)c(C)c4)N=C3C)cc2n(CC)c1=O ZINC000408531020 572173887 /nfs/dbraw/zinc/17/38/87/572173887.db2.gz KBIZEGWLOHZHBS-VBKFSLOCSA-N 0 1 561.278 5.395 40 10 KKCBMN CCn1c2cc(Br)c(N=Cc3c(C)[nH]n(-c4ccc(Br)c(C)c4)c3=O)cc2n(CC)c1=O ZINC000408531020 572173890 /nfs/dbraw/zinc/17/38/90/572173890.db2.gz KBIZEGWLOHZHBS-VBKFSLOCSA-N 0 1 561.278 5.395 40 10 KKCBMN Cc1[nH]n(-c2ccc(Br)c(C)c2)c(=O)c1C=Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC000408531379 572175552 /nfs/dbraw/zinc/17/55/52/572175552.db2.gz KLKDKSIDCOJCEP-HAHDFKILSA-N 0 1 549.469 6.852 40 10 KKCBMN CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=CNc1cc2[nH]c(=O)[nH]c2cc1N1CCN(C)CC1 ZINC000408533794 572184517 /nfs/dbraw/zinc/18/45/17/572184517.db2.gz PDBAGVDQWLACIC-XHPQRKPJSA-N 0 1 565.722 5.207 40 10 KKCBMN Cc1[nH]n(-c2ccc(Br)cc2C)c(=O)c1C=Nc1cc(C)c(Br)cc1[N+](=O)[O-] ZINC000408535480 572188602 /nfs/dbraw/zinc/18/86/02/572188602.db2.gz SVKUUVYGXMTOSD-ZROIWOOFSA-N 0 1 508.170 5.455 40 10 KKCBMN COc1cc(COc2c(Br)cc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2Br)ccc1OCc1ccccc1 ZINC000408539975 572204229 /nfs/dbraw/zinc/20/42/29/572204229.db2.gz LFXOGBVPROTMIS-OYKKKHCWSA-N 0 1 708.428 7.210 40 10 KKCBMN COc1cc(COc2ccccc2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccccc1 ZINC000408541079 572207565 /nfs/dbraw/zinc/20/75/65/572207565.db2.gz XPTVVGVLOATEIS-XHPQRKPJSA-N 0 1 550.636 5.685 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408541468 572208884 /nfs/dbraw/zinc/20/88/84/572208884.db2.gz CTXKXPIEUSQOOY-PCLIKHOPSA-N 0 1 590.101 5.385 40 10 KKCBMN O=C(COc1ccc(Br)cc1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552923 572239634 /nfs/dbraw/zinc/23/96/34/572239634.db2.gz LRHNUGNRAKEVJK-WQRHYEAKSA-N 0 1 605.297 5.605 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408553017 572239965 /nfs/dbraw/zinc/23/99/65/572239965.db2.gz UJTCGBWVOBTMDW-UNOMPAQXSA-N 0 1 570.454 5.241 40 10 KKCBMN O=C(COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Cl)Nc1ccc(Cl)c(Cl)c1 ZINC000408553248 572240317 /nfs/dbraw/zinc/24/03/17/572240317.db2.gz NBSBKZXCDYQOCH-YVLHZVERSA-N 0 1 560.846 5.496 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408554039 572241479 /nfs/dbraw/zinc/24/14/79/572241479.db2.gz YMBNITLDYROIDN-ZDLGFXPLSA-N 0 1 604.899 5.894 40 10 KKCBMN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1)N1CCCCCC1 ZINC000408581960 572264608 /nfs/dbraw/zinc/26/46/08/572264608.db2.gz BERXNGZGVSNVPF-UHFFFAOYSA-N 0 1 512.031 5.780 40 10 KKCBMN C[C@@H](Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1)C(=O)NC1CCCCC1 ZINC000408596661 572271073 /nfs/dbraw/zinc/27/10/73/572271073.db2.gz XIVMKKFFDIPYJP-LJQANCHMSA-N 0 1 541.069 5.588 40 10 KKCBMN CC(C)N1c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)cc2[C@H](C)CC1(C)C ZINC000260565540 572322616 /nfs/dbraw/zinc/32/26/16/572322616.db2.gz IZBAOZNTNWWPDT-WMRWHDLOSA-N 0 1 526.500 5.781 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000408847693 1069746073 /nfs/dbraw/zinc/74/60/73/1069746073.db2.gz OASZTNJDEOXTAH-OVCLIPMQSA-N 0 1 597.263 6.619 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000408876101 1069748938 /nfs/dbraw/zinc/74/89/38/1069748938.db2.gz JKZOXYHLECINPA-NDENLUEZSA-N 0 1 555.425 5.397 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408769075 1069874869 /nfs/dbraw/zinc/87/48/69/1069874869.db2.gz NGDBMDAJEAWCKH-JFLMPSFJSA-N 0 1 620.956 6.920 40 10 KKCBMN COC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)c1C)CCCC2 ZINC000408772595 1069884826 /nfs/dbraw/zinc/88/48/26/1069884826.db2.gz DHGUZHJTDLTOEZ-DEDYPNTBSA-N 0 1 598.544 5.415 40 10 KKCBMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000408775726 1069893864 /nfs/dbraw/zinc/89/38/64/1069893864.db2.gz JJXKQWATXMVXFT-CXUHLZMHSA-N 0 1 582.343 6.544 40 10 KKCBMN COC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(Br)cc4C)C3=O)c1C)CCCC2 ZINC000408778883 1069899481 /nfs/dbraw/zinc/89/94/81/1069899481.db2.gz ZBYLBWROYQOVQA-DEDYPNTBSA-N 0 1 612.571 5.723 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000408782864 1069908483 /nfs/dbraw/zinc/90/84/83/1069908483.db2.gz KDCPFRYWDMGRKV-FYJGNVAPSA-N 0 1 555.441 5.147 40 10 KKCBMN CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)c2c1 ZINC000408785655 1069914807 /nfs/dbraw/zinc/91/48/07/1069914807.db2.gz AJELDKUGDLKHSZ-QGOAFFKASA-N 0 1 515.418 5.775 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408848073 1070057009 /nfs/dbraw/zinc/05/70/09/1070057009.db2.gz OSLHCOUEPNYXGI-CXUHLZMHSA-N 0 1 582.292 6.719 40 10 KKCBMN CCc1ccccc1N1C(=O)/C(=C/c2c(C)n(-c3ccccc3)c(C)c2Br)C(=O)NC1=S ZINC000408847831 1070056421 /nfs/dbraw/zinc/05/64/21/1070056421.db2.gz SLJAQWCIBNRKAC-XSFVSMFZSA-N 0 1 508.441 5.250 40 10 KKCBMN Cc1ccc(COc2c(Br)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)cc2Br)cc1 ZINC000408843317 1070057522 /nfs/dbraw/zinc/05/75/22/1070057522.db2.gz DGSYKQUXZAPSPA-CXUHLZMHSA-N 0 1 655.195 7.237 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cn(Cc2cccc3ccccc32)c2ccccc12 ZINC000408851925 1070059168 /nfs/dbraw/zinc/05/91/68/1070059168.db2.gz BRKRLXDWWRZQNA-HZHRSRAPSA-N 0 1 556.474 6.981 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000408850015 1070063371 /nfs/dbraw/zinc/06/33/71/1070063371.db2.gz CTQQMDYBOHAQNM-OQLLNIDSSA-N 0 1 539.271 6.539 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccccc1Br ZINC000408850527 1070064473 /nfs/dbraw/zinc/06/44/73/1070064473.db2.gz BKHYBQIQIAHLAV-RVDMUPIBSA-N 0 1 549.277 5.995 40 10 KKCBMN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)C(=O)NC1=S ZINC000408857674 1070068231 /nfs/dbraw/zinc/06/82/31/1070068231.db2.gz PHPGLCXADQMLHG-CXUHLZMHSA-N 0 1 612.752 6.749 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc21 ZINC000408866690 1070086099 /nfs/dbraw/zinc/08/60/99/1070086099.db2.gz HXOPJXKFRYJEBE-JLPGSUDCSA-N 0 1 509.543 5.158 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(C)c(C)c1 ZINC000408880214 1070105844 /nfs/dbraw/zinc/10/58/44/1070105844.db2.gz GPIRWGLIQPZIJD-MTJSOVHGSA-N 0 1 551.462 5.485 40 10 KKCBMN O=C1/C(=C\c2cc(I)c(O)c(I)c2)SC(=S)N1c1ccccc1 ZINC000408902980 1070184964 /nfs/dbraw/zinc/18/49/64/1070184964.db2.gz TUKWZTKXELZCRM-MDWZMJQESA-N 0 1 565.195 5.007 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408916779 1070222160 /nfs/dbraw/zinc/22/21/60/1070222160.db2.gz HIMHBCVVKBUTEV-OCKHKDLRSA-N 0 1 579.864 6.595 40 10 KKCBMN O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408965562 1070331215 /nfs/dbraw/zinc/33/12/15/1070331215.db2.gz IVNDRSRPZWHWLB-NTEUORMPSA-N 0 1 506.298 5.132 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(NC(=O)c6ccccc6)cc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)c(C)c1 ZINC000408994262 1070370481 /nfs/dbraw/zinc/37/04/81/1070370481.db2.gz YRRPGDSPITWUIP-HZHRSRAPSA-N 0 1 665.778 7.056 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000409097611 1070530882 /nfs/dbraw/zinc/53/08/82/1070530882.db2.gz MTUNABZQPNFGAK-WGOQTCKBSA-N 0 1 574.077 6.605 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc(Br)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409148741 1070567403 /nfs/dbraw/zinc/56/74/03/1070567403.db2.gz RDBLHQXALFENNA-YDZHTSKRSA-N 0 1 657.945 6.540 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)cc(Br)c3OS(=O)(=O)c3ccc(C)cc3)C2=O)cc1OC ZINC000409141350 1070564627 /nfs/dbraw/zinc/56/46/27/1070564627.db2.gz HTJXDGLDLZUYJB-HYARGMPZSA-N 0 1 722.408 5.747 40 10 KKCBMN Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Br)c(Cl)c4)o3)C(=O)NC2=S)c1C ZINC000409143356 1070571201 /nfs/dbraw/zinc/57/12/01/1070571201.db2.gz NAGCCAQXBQDYNM-LFIBNONCSA-N 0 1 515.816 5.811 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4F)c(OCC)c3)C2=O)cc1OCC ZINC000409192009 1070609842 /nfs/dbraw/zinc/60/98/42/1070609842.db2.gz SFUSOODKKUZLII-LFVJCYFKSA-N 0 1 576.621 5.653 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCc3cccc(Cl)c3)C2=O)cc1OCC ZINC000409192255 1070609903 /nfs/dbraw/zinc/60/99/03/1070609903.db2.gz BXJBDBPVTRUQTK-LFVJCYFKSA-N 0 1 627.919 6.531 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc(F)cc4)c(Cl)c3)C2=O)cc1OCC ZINC000409196114 1070615849 /nfs/dbraw/zinc/61/58/49/1070615849.db2.gz SZOVSCIADGBYMZ-WSDLNYQXSA-N 0 1 601.458 6.561 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)c(Br)c3)C2=O)cc1OCC ZINC000409194608 1070613504 /nfs/dbraw/zinc/61/35/04/1070613504.db2.gz PRMNSCFAKFIFEB-OEAKJJBVSA-N 0 1 611.464 6.017 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3cc(Br)c(Sc4ccc(Cl)cc4)o3)C(=O)NC2=S)cc1Cl ZINC000409225824 1070643994 /nfs/dbraw/zinc/64/39/94/1070643994.db2.gz LSDNEJHBGMHDIS-CXUHLZMHSA-N 0 1 568.301 6.640 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1OCc1ccc(Br)cc1 ZINC000408880671 1070786369 /nfs/dbraw/zinc/78/63/69/1070786369.db2.gz HVFAVLDDQDAKLA-MOSHPQCFSA-N 0 1 572.278 5.622 40 10 KKCBMN COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409329158 1070830614 /nfs/dbraw/zinc/83/06/14/1070830614.db2.gz DDKPBQDHFLHGFD-YBFXNURJSA-N 0 1 579.494 5.784 40 10 KKCBMN O=C(NN1C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)SC1=S)c1cccs1 ZINC000409329744 1070832571 /nfs/dbraw/zinc/83/25/71/1070832571.db2.gz HQQLSVVZZSVISY-MTJSOVHGSA-N 0 1 510.065 5.951 40 10 KKCBMN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409350279 1070868226 /nfs/dbraw/zinc/86/82/26/1070868226.db2.gz XHDZCXMBPKGOPV-SRZZPIQSSA-N 0 1 565.525 6.579 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408889564 1070887313 /nfs/dbraw/zinc/88/73/13/1070887313.db2.gz FHROJRMISMBOND-XKZIYDEJSA-N 0 1 612.489 5.717 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccccc4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409381547 1070899170 /nfs/dbraw/zinc/89/91/70/1070899170.db2.gz GHPYQRNCCRTWMD-FYJGNVAPSA-N 0 1 598.462 5.273 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C)cc4)c(Br)c3)C(=O)NC2=S)cc1 ZINC000409382007 1070899601 /nfs/dbraw/zinc/89/96/01/1070899601.db2.gz JTMWWOLEQQJFLT-HYARGMPZSA-N 0 1 535.463 5.730 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409377661 1070904451 /nfs/dbraw/zinc/90/44/51/1070904451.db2.gz JYMCOQBGRBIURG-KEBDBYFISA-N 0 1 575.901 6.628 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000408917214 1070993045 /nfs/dbraw/zinc/99/30/45/1070993045.db2.gz OZUZTUCYSCJNNQ-NDENLUEZSA-N 0 1 602.425 5.239 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408917429 1071145981 /nfs/dbraw/zinc/14/59/81/1071145981.db2.gz UHGQAGXNTWEVHF-JAIQZWGSSA-N 0 1 634.321 6.160 40 10 KKCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc21 ZINC000408694212 1071388584 /nfs/dbraw/zinc/38/85/84/1071388584.db2.gz FXNNZRYSTREDFU-HZHRSRAPSA-N 0 1 519.395 5.586 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(Br)cc1OCc1ccc(Br)cc1 ZINC000408692521 1071394606 /nfs/dbraw/zinc/39/46/06/1071394606.db2.gz OITCHMTXDLNVIJ-VCHYOVAHSA-N 0 1 578.257 5.204 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408692476 1071394149 /nfs/dbraw/zinc/39/41/49/1071394149.db2.gz NGTSJDFVRANZOY-OEAKJJBVSA-N 0 1 559.535 5.107 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(I)c1OCc1ccc(I)cc1 ZINC000408693872 1071390312 /nfs/dbraw/zinc/39/03/12/1071390312.db2.gz ADPQAYOQOOLWEL-YBFXNURJSA-N 0 1 686.284 5.278 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408692342 1071394765 /nfs/dbraw/zinc/39/47/65/1071394765.db2.gz KHDIOEPLVUHYES-WOJGMQOQSA-N 0 1 503.382 5.376 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408692157 1071395508 /nfs/dbraw/zinc/39/55/08/1071395508.db2.gz FSQGNWAVYSYYEQ-OEAKJJBVSA-N 0 1 518.997 5.875 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000408692051 1071396329 /nfs/dbraw/zinc/39/63/29/1071396329.db2.gz CHNWMSSLLYJQJQ-PCLIKHOPSA-N 0 1 518.013 5.731 40 10 KKCBMN O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc(I)cc2)o1 ZINC000408967216 1071407164 /nfs/dbraw/zinc/40/71/64/1071407164.db2.gz QXLYGVDELHIODM-XNTDXEJSSA-N 0 1 552.752 5.175 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000408966781 1071407613 /nfs/dbraw/zinc/40/76/13/1071407613.db2.gz OBMBLUSDGOEVIV-VCHYOVAHSA-N 0 1 546.849 5.789 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000408965909 1071412503 /nfs/dbraw/zinc/41/25/03/1071412503.db2.gz JTAAFMZGIILHEA-LPYMAVHISA-N 0 1 503.986 5.871 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408965891 1071413135 /nfs/dbraw/zinc/41/31/35/1071413135.db2.gz JLSSYEXBCBCOOG-WSDLNYQXSA-N 0 1 636.017 6.327 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408726480 1071515705 /nfs/dbraw/zinc/51/57/05/1071515705.db2.gz SBWXXKQPMOWACO-ODLFYWEKSA-N 0 1 513.402 5.412 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408723072 1071531144 /nfs/dbraw/zinc/53/11/44/1071531144.db2.gz QCUKKWDJZSKXDT-VCHYOVAHSA-N 0 1 592.298 6.175 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408723274 1071528757 /nfs/dbraw/zinc/52/87/57/1071528757.db2.gz SLWJVAYEPZLPIX-KEBDBYFISA-N 0 1 653.325 6.407 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408722413 1071533324 /nfs/dbraw/zinc/53/33/24/1071533324.db2.gz IKXUHHYAWLMOGB-ZMOGYAJESA-N 0 1 621.940 7.065 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408722491 1071533928 /nfs/dbraw/zinc/53/39/28/1071533928.db2.gz JMXZBJOLJRJBCU-UFWORHAWSA-N 0 1 640.770 7.218 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408721842 1071536312 /nfs/dbraw/zinc/53/63/12/1071536312.db2.gz AHXCKNUHOKOHSP-QGMBQPNBSA-N 0 1 626.743 6.828 40 10 KKCBMN CCc1ccccc1N1C(=O)/C(=C/c2cc(OC)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2Br)C(=O)NC1=S ZINC000408995024 1071554730 /nfs/dbraw/zinc/55/47/30/1071554730.db2.gz KULHKODCZITUJE-GZTJUZNOSA-N 0 1 699.248 7.500 40 10 KKCBMN CCOc1cccc(N2C(=O)/C(=C/c3cc(OC)c(OCc4ccc(Cl)c(Cl)c4)c(Br)c3Br)C(=O)NC2=S)c1 ZINC000408994972 1071554785 /nfs/dbraw/zinc/55/47/85/1071554785.db2.gz KBFJABXPFBFXDP-VCHYOVAHSA-N 0 1 715.247 7.336 40 10 KKCBMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(/N=N/c4ccccc4)cc3O)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000408735058 1071563079 /nfs/dbraw/zinc/56/30/79/1071563079.db2.gz NHKFUNFPPQADBX-TUHQKKNWSA-N 0 1 612.708 5.717 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(NC(=O)c6ccccc6Cl)cc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)c(C)c1 ZINC000408993250 1071566605 /nfs/dbraw/zinc/56/66/05/1071566605.db2.gz VHYILXGOVNUPOT-HYARGMPZSA-N 0 1 700.223 7.710 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1c(C)cc(C)cc1C ZINC000408991249 1071583037 /nfs/dbraw/zinc/58/30/37/1071583037.db2.gz PXRQZTPFHKEVAV-BUVRLJJBSA-N 0 1 514.647 5.729 40 10 KKCBMN CCOc1ccc2nc(Sc3ccc(/C=C4\C(=O)NC(=S)N(c5ccc(C)cc5)C4=O)o3)sc2c1 ZINC000408990971 1071585505 /nfs/dbraw/zinc/58/55/05/1071585505.db2.gz MEMCFTADKUKHKW-LDADJPATSA-N 0 1 521.645 5.579 40 10 KKCBMN Cc1cccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)[C@@H]7CCCC[C@@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)c1 ZINC000408990961 1071585562 /nfs/dbraw/zinc/58/55/62/1071585562.db2.gz MDEPSCYTHCRDSW-RCRQRPLWSA-N 0 1 683.793 6.175 40 10 KKCBMN Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(/C=C5/C(=O)NC(=S)N(c6ccc(C)cc6C)C5=O)cc4[N+](=O)[O-])sc3c2)cc1 ZINC000408990349 1071590283 /nfs/dbraw/zinc/59/02/83/1071590283.db2.gz KTMWNOWUSVFLOY-BUVRLJJBSA-N 0 1 679.805 7.365 40 10 KKCBMN O=C(Nc1ccc2nc(Sc3ccc(C=C4C(=O)NC(=O)NC4=O)cc3[N+](=O)[O-])sc2c1)c1ccc(Cl)cc1 ZINC000408989573 1071595307 /nfs/dbraw/zinc/59/53/07/1071595307.db2.gz IILWXZWXWKFJLJ-UHFFFAOYSA-N 0 1 580.003 5.011 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(NC(=O)c6ccccc6Cl)cc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1C ZINC000408988721 1071602074 /nfs/dbraw/zinc/60/20/74/1071602074.db2.gz FRZGMTXKHSXGNL-OEAKJJBVSA-N 0 1 700.223 7.710 40 10 KKCBMN CCOc1cccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)C(=O)NC2=S)c1 ZINC000408739603 1071602241 /nfs/dbraw/zinc/60/22/41/1071602241.db2.gz CWSMHJZWKAOOCI-AWQFTUOYSA-N 0 1 683.351 6.416 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)[C@H]7CCCC[C@@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1Cl ZINC000408988099 1071606742 /nfs/dbraw/zinc/60/67/42/1071606742.db2.gz CNTPEVJONPFKEC-HFSPCEDCSA-N 0 1 718.238 6.828 40 10 KKCBMN Cc1cccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)C(=O)NC2=S)c1 ZINC000408988118 1071606806 /nfs/dbraw/zinc/60/68/06/1071606806.db2.gz CQLRJMISZMONDG-LFIBNONCSA-N 0 1 522.589 5.088 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(NC(=O)c6ccccc6C)cc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1C ZINC000408987447 1071613050 /nfs/dbraw/zinc/61/30/50/1071613050.db2.gz BAQVPQBMSBRNFS-MFKUBSTISA-N 0 1 679.805 7.365 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408743600 1071617752 /nfs/dbraw/zinc/61/77/52/1071617752.db2.gz WGZXTFGLUDYREM-OCKHKDLRSA-N 0 1 683.749 6.126 40 10 KKCBMN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)NC1=S ZINC000408742777 1071619999 /nfs/dbraw/zinc/61/99/99/1071619999.db2.gz SSSSIXXKXBQUGV-WOJGMQOQSA-N 0 1 583.376 5.198 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408742906 1071620033 /nfs/dbraw/zinc/62/00/33/1071620033.db2.gz UAHMYPPNUHLYGU-RGVLZGJSSA-N 0 1 561.874 6.456 40 10 KKCBMN CCOc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C)cc4Br)o3)C(=O)NC2=S)c1 ZINC000408742638 1071620548 /nfs/dbraw/zinc/62/05/48/1071620548.db2.gz XHNAMGAOUKYJLE-UYRXBGFRSA-N 0 1 511.397 5.248 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000408742011 1071622807 /nfs/dbraw/zinc/62/28/07/1071622807.db2.gz OUWDULLPDWOLEX-GIJQJNRQSA-N 0 1 651.174 6.384 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000408741811 1071623485 /nfs/dbraw/zinc/62/34/85/1071623485.db2.gz NXAHWWRINYIOHC-LPYMAVHISA-N 0 1 522.468 5.613 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408741053 1071628379 /nfs/dbraw/zinc/62/83/79/1071628379.db2.gz JSYVAGVRTTZNRU-LZYBPNLTSA-N 0 1 692.298 5.969 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408740875 1071628447 /nfs/dbraw/zinc/62/84/47/1071628447.db2.gz IUYKYVKPHFYUAR-ZVHZXABRSA-N 0 1 634.495 6.172 40 10 KKCBMN CCOc1cccc(N2C(=O)/C(=C\c3cc(I)c(OCc4ccc(Cl)cc4)c(OC)c3)C(=O)NC2=S)c1 ZINC000408740819 1071628491 /nfs/dbraw/zinc/62/84/91/1071628491.db2.gz IFQGJSBIHYNOMU-NHDPSOOVSA-N 0 1 648.906 5.762 40 10 KKCBMN Cc1cc(Br)ccc1N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)NC1=S ZINC000408740360 1071630243 /nfs/dbraw/zinc/63/02/43/1071630243.db2.gz FVIKVYMOZWQTSF-GDNBJRDFSA-N 0 1 536.234 6.156 40 10 KKCBMN CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)c2-c2ccccc2)cc1 ZINC000408740253 1071631406 /nfs/dbraw/zinc/63/14/06/1071631406.db2.gz JPUZCMJWEBWTHC-JBASAIQMSA-N 0 1 597.696 6.819 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(OCc2ccc(I)cc2)cc1 ZINC000409001463 1071645596 /nfs/dbraw/zinc/64/55/96/1071645596.db2.gz WBRYZROAJYRNEO-LDADJPATSA-N 0 1 609.272 6.008 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C\c3ccc(OCc4cccc5ccccc54)c(Br)c3)C(=O)NC2=S)cc1 ZINC000408753929 1071653889 /nfs/dbraw/zinc/65/38/89/1071653889.db2.gz CMGZTLNZRQWUAA-IWIPYMOSSA-N 0 1 573.468 6.021 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(OCc5ccc(F)cc5)cc4)c3C)C(=O)NC2=S)cc1 ZINC000409014688 1071674526 /nfs/dbraw/zinc/67/45/26/1071674526.db2.gz YBEDLHNUWOAZRI-OGLMXYFKSA-N 0 1 555.631 5.652 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000408766797 1071717346 /nfs/dbraw/zinc/71/73/46/1071717346.db2.gz GKSWRKBHPJEYHZ-RCCKNPSSSA-N 0 1 555.487 5.069 40 10 KKCBMN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Br)c(O)c(I)c1 ZINC000409036375 1071743827 /nfs/dbraw/zinc/74/38/27/1071743827.db2.gz VWDIQHWPTHNQDZ-FARCUNLSSA-N 0 1 573.053 5.261 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000408775731 1071753592 /nfs/dbraw/zinc/75/35/92/1071753592.db2.gz UKTMUGWUAONGCG-LZYBPNLTSA-N 0 1 582.343 6.544 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000408770958 1071783830 /nfs/dbraw/zinc/78/38/30/1071783830.db2.gz BFRMJFSREHCVDB-CXUHLZMHSA-N 0 1 671.194 6.937 40 10 KKCBMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(/N=N/c4ccccc4)cc3O)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408770206 1071788209 /nfs/dbraw/zinc/78/82/09/1071788209.db2.gz URLOGFLSVSXMAQ-KNIWTJNMSA-N 0 1 663.550 5.699 40 10 KKCBMN CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)c2C)cc1 ZINC000408768286 1071802019 /nfs/dbraw/zinc/80/20/19/1071802019.db2.gz DUPYAVKROFKRFN-UDWIEESQSA-N 0 1 542.444 5.409 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408781824 1071814462 /nfs/dbraw/zinc/81/44/62/1071814462.db2.gz FCWMFQYZZRHOSK-STBIYBPSSA-N 0 1 614.565 6.884 40 10 KKCBMN COC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)c1C)CCCC2 ZINC000408778139 1071840049 /nfs/dbraw/zinc/84/00/49/1071840049.db2.gz BPMQCVWGUHWDPF-SFQUDFHCSA-N 0 1 588.538 5.959 40 10 KKCBMN CCOc1cccc(N2C(=O)/C(=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Cl)c3)C(=O)NC2=S)c1 ZINC000408777458 1071843398 /nfs/dbraw/zinc/84/33/98/1071843398.db2.gz ZUKRAHZTJBXNHQ-VCHYOVAHSA-N 0 1 591.951 6.289 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408783724 1071867603 /nfs/dbraw/zinc/86/76/03/1071867603.db2.gz QMRBHINTTKGIAE-RGVLZGJSSA-N 0 1 649.304 5.473 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C/c3cc(Br)c(Sc4ccc(Cl)cc4)o3)C(=O)NC2=S)c(OC)c1 ZINC000409065653 1072007009 /nfs/dbraw/zinc/00/70/09/1072007009.db2.gz KBAJLMDNUVSQIB-CXUHLZMHSA-N 0 1 579.881 5.695 40 10 KKCBMN Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cccn2-c2ccc(Br)cc2)C(=O)NC1=S ZINC000409070155 1072096533 /nfs/dbraw/zinc/09/65/33/1072096533.db2.gz DRJGLTYSMMSMSJ-SFQUDFHCSA-N 0 1 500.805 5.033 40 10 KKCBMN Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(-c3cccc(Br)c3)o2)C(=O)NC1=S ZINC000409096976 1072231412 /nfs/dbraw/zinc/23/14/12/1072231412.db2.gz MTIYTXMFTXEKMW-LFIBNONCSA-N 0 1 501.789 5.502 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Br)c(Cl)c4)o3)C(=O)NC2=S)c(OC)c1 ZINC000409092500 1072261245 /nfs/dbraw/zinc/26/12/45/1072261245.db2.gz ZCUAFHVJZQDDDQ-XNTDXEJSSA-N 0 1 547.814 5.211 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409089643 1072287949 /nfs/dbraw/zinc/28/79/49/1072287949.db2.gz OLAFCHSQGLLTQE-YVLHZVERSA-N 0 1 518.853 6.194 40 10 KKCBMN CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4C)C3=O)c1C)CCCC2 ZINC000409098418 1072332099 /nfs/dbraw/zinc/33/20/99/1072332099.db2.gz OSLKMPMXOFELGP-XSFVSMFZSA-N 0 1 582.147 6.004 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(OCc5ccc(Cl)cc5Cl)cc4)c3C)C(=O)NC2=S)c(OC)c1 ZINC000409098021 1072335030 /nfs/dbraw/zinc/33/50/30/1072335030.db2.gz OQOIIGURNLVOQP-VULFUBBASA-N 0 1 636.557 6.828 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000409102652 1072365254 /nfs/dbraw/zinc/36/52/54/1072365254.db2.gz ZEVHNYRMFBJXMN-UDWIEESQSA-N 0 1 529.868 6.085 40 10 KKCBMN CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)NC(=S)N(c4ccc(OC)cc4OC)C3=O)c2-c2ccccc2)cc1 ZINC000409107367 1072367832 /nfs/dbraw/zinc/36/78/32/1072367832.db2.gz REZADZNXRIKTAC-OFWBYEQRSA-N 0 1 657.748 6.837 40 10 KKCBMN O=C1/C(=C/c2cc(I)c(O)c(I)c2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409328719 1072389932 /nfs/dbraw/zinc/38/99/32/1072389932.db2.gz AAUSBRHSSAWXLE-ACAGNQJTSA-N 0 1 634.085 6.314 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OC(C)C ZINC000409107893 1072411727 /nfs/dbraw/zinc/41/17/27/1072411727.db2.gz XSNRJMUTFDFLNK-OQLLNIDSSA-N 0 1 584.863 5.270 40 10 KKCBMN O=C(NN1C(=O)/C(=C\c2ccc(OCc3cccc4ccccc43)cc2)SC1=S)c1cccs1 ZINC000409346464 1072416029 /nfs/dbraw/zinc/41/60/29/1072416029.db2.gz KTXSZWORDLCSFA-HZHRSRAPSA-N 0 1 502.642 6.027 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccc(Br)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409122813 1072420493 /nfs/dbraw/zinc/42/04/93/1072420493.db2.gz BYNBEQMYBSCIRH-YDZHTSKRSA-N 0 1 702.396 6.649 40 10 KKCBMN CSc1cccc(N2C(=O)/C(=C\c3cc(I)c(O)c(I)c3)SC2=S)c1 ZINC000409343979 1072436659 /nfs/dbraw/zinc/43/66/59/1072436659.db2.gz FCFNOMJONLGIGU-VGOFMYFVSA-N 0 1 611.289 5.729 40 10 KKCBMN Cc1c(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)c2ccccc2n1Cc1ccccc1F ZINC000409341857 1072452681 /nfs/dbraw/zinc/45/26/81/1072452681.db2.gz CMQUKYPHJZFWHF-XKZIYDEJSA-N 0 1 507.637 5.745 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCc3cccc(F)c3)C2=O)cc1OC ZINC000409126247 1072454454 /nfs/dbraw/zinc/45/44/54/1072454454.db2.gz BHFKBNUAUNQFBD-HZHRSRAPSA-N 0 1 597.437 5.627 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc1OC ZINC000409125779 1072456617 /nfs/dbraw/zinc/45/66/17/1072456617.db2.gz KJPDLIPFYGACGN-BUVRLJJBSA-N 0 1 579.447 5.488 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Br)cc4)c(Cl)c3)C2=O)cc1OC ZINC000409124081 1072468644 /nfs/dbraw/zinc/46/86/44/1072468644.db2.gz KBNKSFJWDYUNRY-LPYMAVHISA-N 0 1 613.892 6.141 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(I)c(OS(=O)(=O)c4ccc(Cl)cc4)c(OC)c3)C2=O)cc1OC ZINC000409127296 1072472491 /nfs/dbraw/zinc/47/24/91/1072472491.db2.gz PJORPOOKEBPENP-CIAFOILYSA-N 0 1 740.956 5.180 40 10 KKCBMN COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000409339697 1072472882 /nfs/dbraw/zinc/47/28/82/1072472882.db2.gz KSVISQZTJKPSTB-YBFXNURJSA-N 0 1 579.494 5.784 40 10 KKCBMN O=C(NN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccccc2Cl)SC1=S)c1cccs1 ZINC000409339370 1072475316 /nfs/dbraw/zinc/47/53/16/1072475316.db2.gz UPAMJLGEKKUCAO-YBFXNURJSA-N 0 1 565.923 6.289 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4cccc(Cl)c4)c(Cl)c3)C2=O)cc1OC ZINC000409136718 1072475780 /nfs/dbraw/zinc/47/57/80/1072475780.db2.gz USFTXJRXLPWGNT-SRZZPIQSSA-N 0 1 603.886 6.685 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc1OC ZINC000409136688 1072477540 /nfs/dbraw/zinc/47/75/40/1072477540.db2.gz YLCYBMFQYLWBQT-YDZHTSKRSA-N 0 1 569.441 6.032 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3cc(I)c(O)c(I)c3)SC2=S)cc1 ZINC000409339301 1072477625 /nfs/dbraw/zinc/47/76/25/1072477625.db2.gz GZSVDQOWBOMJFQ-ZSOIEALJSA-N 0 1 579.222 5.316 40 10 KKCBMN O=C(NN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2)SC1=S)c1cccs1 ZINC000409338448 1072486063 /nfs/dbraw/zinc/48/60/63/1072486063.db2.gz KELSDJNFEADBMZ-UNOMPAQXSA-N 0 1 531.478 5.636 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccc(Br)cc1F ZINC000409134032 1072495053 /nfs/dbraw/zinc/49/50/53/1072495053.db2.gz OKENAIHKFCPTFI-YBFXNURJSA-N 0 1 526.431 5.444 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Cl)cc(Cl)c3OCc3ccccc3)C2=O)cc1OC ZINC000409133741 1072497169 /nfs/dbraw/zinc/49/71/69/1072497169.db2.gz RERJSQOJVROMRN-HYARGMPZSA-N 0 1 569.441 6.032 40 10 KKCBMN Cc1cccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc(Br)cc4)c3-c3ccccc3)C(=O)NC2=S)c1C ZINC000409133529 1072497737 /nfs/dbraw/zinc/49/77/37/1072497737.db2.gz MCZJLNRYTBVKLZ-BRPDVVIDSA-N 0 1 632.583 8.022 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Cl)cc(Cl)c3OCc3ccc(C)cc3)C2=O)cc1OC ZINC000409132955 1072501602 /nfs/dbraw/zinc/50/16/02/1072501602.db2.gz YSBVRWHRQAPSRR-OEAKJJBVSA-N 0 1 583.468 6.340 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccccc4)c(OCC)c3)C2=O)cc1OC ZINC000409130600 1072513926 /nfs/dbraw/zinc/51/39/26/1072513926.db2.gz WQSMSSWIAIFZQX-OEAKJJBVSA-N 0 1 579.049 5.777 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4)c4ccccc34)C(=O)NC2=S)c(C)c1 ZINC000409129798 1072518336 /nfs/dbraw/zinc/51/83/36/1072518336.db2.gz SNKDWJYWEARSHT-OEAKJJBVSA-N 0 1 500.023 5.791 40 10 KKCBMN Cc1cccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc(Cl)cc4)c3-c3ccccc3)C(=O)NC2=S)c1C ZINC000409127443 1072531196 /nfs/dbraw/zinc/53/11/96/1072531196.db2.gz QBXFBVAVCQLWBT-BRPDVVIDSA-N 0 1 588.132 7.913 40 10 KKCBMN O=C(NN1C(=O)/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)SC1=S)c1cccs1 ZINC000409351256 1072537140 /nfs/dbraw/zinc/53/71/40/1072537140.db2.gz SQTQHSFQINKNRP-MTJSOVHGSA-N 0 1 520.617 5.206 40 10 KKCBMN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409350650 1072541228 /nfs/dbraw/zinc/54/12/28/1072541228.db2.gz SDEIFLIVUFFDQC-UDWIEESQSA-N 0 1 667.528 5.785 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccccc3Cl)C2=O)cc1OC ZINC000409141924 1072550991 /nfs/dbraw/zinc/55/09/91/1072550991.db2.gz KGDMMRADVNUYPM-PXLXIMEGSA-N 0 1 569.441 6.032 40 10 KKCBMN COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409349293 1072552048 /nfs/dbraw/zinc/55/20/48/1072552048.db2.gz VOAJZZQXQXDLAC-KEBDBYFISA-N 0 1 551.498 6.189 40 10 KKCBMN O=C(NN1C(=O)/C(=C/c2ccccc2OCc2cccc3ccccc32)SC1=S)c1cccs1 ZINC000409348495 1072556537 /nfs/dbraw/zinc/55/65/37/1072556537.db2.gz SYGVILYRZULSLZ-HAHDFKILSA-N 0 1 502.642 6.027 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1OC ZINC000409145586 1072586822 /nfs/dbraw/zinc/58/68/22/1072586822.db2.gz QJLAOUCIUCRBNZ-SRZZPIQSSA-N 0 1 703.340 6.158 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Sc5ccc([N+](=O)[O-])cc5)cc4)c3C)C(=O)NC2=S)cc1 ZINC000409375970 1072631171 /nfs/dbraw/zinc/63/11/71/1072631171.db2.gz RMRRKZOTWSMSQI-MTDXEUNCSA-N 0 1 582.707 6.547 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409375256 1072633233 /nfs/dbraw/zinc/63/32/33/1072633233.db2.gz HZBAJHSTJZSFCW-LPYMAVHISA-N 0 1 673.504 5.240 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(Br)cc1OCc1ccc(Br)cc1 ZINC000409374756 1072635468 /nfs/dbraw/zinc/63/54/68/1072635468.db2.gz YNDXAESGTCHRGW-VXLYETTFSA-N 0 1 604.251 5.444 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000409374286 1072638144 /nfs/dbraw/zinc/63/81/44/1072638144.db2.gz LJUIOUHEGUVXHI-VCHYOVAHSA-N 0 1 515.349 5.226 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1ccc(I)cc1 ZINC000409374327 1072638206 /nfs/dbraw/zinc/63/82/06/1072638206.db2.gz MNILQIWQGJEAAG-VXLYETTFSA-N 0 1 606.800 5.177 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000409373309 1072641775 /nfs/dbraw/zinc/64/17/75/1072641775.db2.gz GWHDKBQFPHZGAS-VXLYETTFSA-N 0 1 651.251 5.286 40 10 KKCBMN Cc1ccc(NC(=O)Cn2cc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)c3ccccc32)cc1 ZINC000409147919 1072646345 /nfs/dbraw/zinc/64/63/45/1072646345.db2.gz WOENCTXPBSRNMM-BUVRLJJBSA-N 0 1 522.630 5.037 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409371678 1072648215 /nfs/dbraw/zinc/64/82/15/1072648215.db2.gz GADGCRORHIYFOY-FRKPEAEDSA-N 0 1 627.218 5.441 40 10 KKCBMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000409371058 1072650748 /nfs/dbraw/zinc/65/07/48/1072650748.db2.gz ASWAUMRUHSSQBH-LPYMAVHISA-N 0 1 521.356 5.981 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409371023 1072651242 /nfs/dbraw/zinc/65/12/42/1072651242.db2.gz AJKHKJVUYBXLSC-VXLYETTFSA-N 0 1 604.251 5.444 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4)c4ccccc34)C(=O)NC2=S)cc1 ZINC000409370545 1072653910 /nfs/dbraw/zinc/65/39/10/1072653910.db2.gz SUMWLAISSKTCJE-BUVRLJJBSA-N 0 1 500.023 5.737 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4cccc5ccccc54)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409378581 1072675263 /nfs/dbraw/zinc/67/52/63/1072675263.db2.gz QJEGQLJXQHHDCM-MFKUBSTISA-N 0 1 648.522 6.426 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OCc4ccc(Cl)cc4Cl)cc3Br)C(=O)NC2=S)cc1 ZINC000409378490 1072676343 /nfs/dbraw/zinc/67/63/43/1072676343.db2.gz QCGUQRDXGGQPOX-KEBDBYFISA-N 0 1 620.352 6.737 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409378266 1072676763 /nfs/dbraw/zinc/67/67/63/1072676763.db2.gz OEPWISIDXUKYBO-RGVLZGJSSA-N 0 1 681.379 6.969 40 10 KKCBMN Cc1ccc(NC(=O)COc2cccc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)c2)cc1C ZINC000409386534 1072685641 /nfs/dbraw/zinc/68/56/41/1072685641.db2.gz MHWWLHOUMDCMFL-CIAFOILYSA-N 0 1 554.455 5.459 40 10 KKCBMN CC[C@H](C)Oc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000409385365 1072692931 /nfs/dbraw/zinc/69/29/31/1072692931.db2.gz HZJUZJITAIKUPT-NGPAHMQLSA-N 0 1 513.830 5.664 40 10 KKCBMN CC[C@@H](C)Oc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1OC ZINC000409381156 1072713102 /nfs/dbraw/zinc/71/31/02/1072713102.db2.gz DGZFHYJAJGMPLP-GGNJANJASA-N 0 1 523.836 5.120 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cccc5ccccc54)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409381043 1072714705 /nfs/dbraw/zinc/71/47/05/1072714705.db2.gz RDGQKMGFLOCAPT-YZSQISJMSA-N 0 1 522.626 5.821 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000409380861 1072715038 /nfs/dbraw/zinc/71/50/38/1072715038.db2.gz BHQSLOTVVGPBAX-HYARGMPZSA-N 0 1 521.038 5.711 40 10 KKCBMN COc1ccccc1N1C(=O)/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)NC1=S ZINC000409174966 1072719963 /nfs/dbraw/zinc/71/99/63/1072719963.db2.gz WXQUHDXWKPHUDL-XSFVSMFZSA-N 0 1 501.995 5.183 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cccc(F)c4)c(I)c3)C(=O)NC2=S)cc1 ZINC000409389055 1072734156 /nfs/dbraw/zinc/73/41/56/1072734156.db2.gz YZJIIEIERHLVQM-FYJGNVAPSA-N 0 1 586.426 5.403 40 10 KKCBMN Cc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc2n1Cc1ccc(Br)cc1Br ZINC000409399611 1072748761 /nfs/dbraw/zinc/74/87/61/1072748761.db2.gz KPHQKBLXIMCXOE-HMAPJEAMSA-N 0 1 565.265 5.984 40 10 KKCBMN O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc(Br)cc1/C=C1\C(=O)NN(c2ccccc2)C1=O ZINC000409407226 1072754766 /nfs/dbraw/zinc/75/47/66/1072754766.db2.gz DRBNLRKUWILYGO-LBOBZYTGSA-N 0 1 523.770 5.183 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Br)cc4Br)cc3)C(=O)NC2=S)cc1 ZINC000409186451 1072762207 /nfs/dbraw/zinc/76/22/07/1072762207.db2.gz CDXNNUSONDOUTI-CIAFOILYSA-N 0 1 586.305 5.930 40 10 KKCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Br)cc2)c(Br)c1 ZINC000409403716 1072770266 /nfs/dbraw/zinc/77/02/66/1072770266.db2.gz ASVNWQKMVZETLG-UNOMPAQXSA-N 0 1 528.200 5.252 40 10 KKCBMN COc1cc(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc(Br)cc1 ZINC000409409819 1072808530 /nfs/dbraw/zinc/80/85/30/1072808530.db2.gz XLRJYUQHJWVKLY-NDENLUEZSA-N 0 1 558.226 5.261 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCc3ccc(Cl)cc3)C2=O)cc1OCC ZINC000409196700 1072830624 /nfs/dbraw/zinc/83/06/24/1072830624.db2.gz YPMTZIZYQVSPLW-LFVJCYFKSA-N 0 1 627.919 6.531 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccccc4)c(Cl)c3)C2=O)cc1OCC ZINC000409195499 1072836774 /nfs/dbraw/zinc/83/67/74/1072836774.db2.gz VUVFUTFGTGXQRI-LPYMAVHISA-N 0 1 583.468 6.422 40 10 KKCBMN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4nc(-c5ccc(Cl)cc5Cl)n[nH]4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000409193737 1072848566 /nfs/dbraw/zinc/84/85/66/1072848566.db2.gz LDTFTOUKTVRDIC-PIXWUVMMSA-N 0 1 736.663 6.016 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccc(C)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409193388 1072849690 /nfs/dbraw/zinc/84/96/90/1072849690.db2.gz JSMOKYGYJJDPKS-MFKUBSTISA-N 0 1 651.554 6.585 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCc3ccccc3Cl)C2=O)cc1OCC ZINC000409192809 1072852908 /nfs/dbraw/zinc/85/29/08/1072852908.db2.gz BMKVSIAHRMERIG-XQNSMLJCSA-N 0 1 627.919 6.531 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4ccccc4Cl)c(OC)c3)C2=O)cc1OCC ZINC000409191362 1072862821 /nfs/dbraw/zinc/86/28/21/1072862821.db2.gz WMKLGMKXNFTFRZ-LPYMAVHISA-N 0 1 704.945 6.382 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3c(OCc4ccc(F)cc4)ccc4ccccc43)C2=O)cc1OCC ZINC000409191186 1072863459 /nfs/dbraw/zinc/86/34/59/1072863459.db2.gz UKTJNYOUZCYDRN-TURZUDJPSA-N 0 1 582.628 6.407 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409191224 1072863497 /nfs/dbraw/zinc/86/34/97/1072863497.db2.gz DRIKQPRVLNJJKN-ZVHZXABRSA-N 0 1 671.972 6.930 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3c(OCc4ccc(C)cc4)ccc4ccccc43)C2=O)cc1OCC ZINC000409191130 1072865047 /nfs/dbraw/zinc/86/50/47/1072865047.db2.gz SWKAQLYXXSZJFK-ZTKZIYFRSA-N 0 1 578.665 6.577 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc(C)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409190900 1072865732 /nfs/dbraw/zinc/86/57/32/1072865732.db2.gz AXVSGUZEFVHNPQ-MFKUBSTISA-N 0 1 607.103 6.476 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc(Br)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409190580 1072869477 /nfs/dbraw/zinc/86/94/77/1072869477.db2.gz ZUEZSLOBLSWSAH-ZVHZXABRSA-N 0 1 671.972 6.930 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3c(OCc4ccccc4)ccc4ccccc43)C2=O)cc1OCC ZINC000409189862 1072872594 /nfs/dbraw/zinc/87/25/94/1072872594.db2.gz UKHPJMUVJQAGGP-VFCFBJKWSA-N 0 1 564.638 6.268 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409189124 1072879395 /nfs/dbraw/zinc/87/93/95/1072879395.db2.gz DBSGQWALNNIZMZ-ZVHZXABRSA-N 0 1 627.521 6.821 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4ccc(Br)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409187625 1072886403 /nfs/dbraw/zinc/88/64/03/1072886403.db2.gz ADMOGVAOXKVVMP-ZVHZXABRSA-N 0 1 763.423 6.881 40 10 KKCBMN O=C(NN1C(=O)/C(=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)SC1=S)c1cccs1 ZINC000409201744 1072915981 /nfs/dbraw/zinc/91/59/81/1072915981.db2.gz PJNNFQUFFVYRRZ-MYYYXRDXSA-N 0 1 525.680 6.451 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(Br)cc1F 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KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccccc1 ZINC000100228475 554254356 /nfs/dbraw/zinc/25/43/56/554254356.db2.gz GLLDQGZRBXZVIB-KGENOOAVSA-N 0 1 537.435 5.258 40 10 KKCBMN Cc1cccc(N2C(=O)/C(=C/c3cc(Br)c(Cc4ccc(Cl)cc4)o3)C(=O)NC2=S)c1C ZINC000100275249 554271598 /nfs/dbraw/zinc/27/15/98/554271598.db2.gz IQKFWZGCHKBWBK-WOJGMQOQSA-N 0 1 529.843 5.734 40 10 KKCBMN COc1cc(C=C2C(=O)NC(=O)N([C@@H](C)c3ccccc3)C2=O)ccc1OCCOc1ccc(C)cc1 ZINC000041108825 554295483 /nfs/dbraw/zinc/29/54/83/554295483.db2.gz HWTVKVGTJSNBQB-HLILLCKBSA-N 0 1 500.551 5.525 40 10 KKCBMN CN(C)c1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)c2ccc(CN3CCCCC3)o2)cc1 ZINC000100330446 554313024 /nfs/dbraw/zinc/31/30/24/554313024.db2.gz NFDKTVJWOZPUFL-YTTGMZPUSA-N 0 1 556.751 6.164 40 10 KKCBMN Cc1[nH]n(-c2ccccc2)c(=S)c1C=Nc1c(Br)cc(Br)cc1Br ZINC000049757325 554325199 /nfs/dbraw/zinc/32/51/99/554325199.db2.gz SORNSTKZKQJTIW-LCYFTJDESA-N 0 1 530.083 6.493 40 10 KKCBMN 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CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000103852280 571365486 /nfs/dbraw/zinc/36/54/86/571365486.db2.gz SWHRYFRDKSHKNL-XQNSMLJCSA-N 0 1 526.589 5.788 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000103852620 571365520 /nfs/dbraw/zinc/36/55/20/571365520.db2.gz HAXPHQRWMFEPLI-XDHOZWIPSA-N 0 1 569.452 5.706 40 10 KKCBMN CC(=O)NCCc1[nH]c(N=Nc2ccc(Br)cc2)nc1N=Nc1ccc(Br)cc1 ZINC000104182364 571376061 /nfs/dbraw/zinc/37/60/61/571376061.db2.gz SXIGKALKFGSRBE-LBXGSASVSA-N 0 1 519.201 6.444 40 10 KKCBMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(N=NC3C(=O)[C@@H](c4ccccc4)N(c4ccccc4)C3=O)cc2)n1 ZINC000104269782 571378265 /nfs/dbraw/zinc/37/82/65/571378265.db2.gz JNYDKZAGIKOUBX-TVXWZNEASA-N 0 1 540.605 5.536 40 10 KKCBMN COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(F)(F)F)N3)c1 ZINC000104649592 571382946 /nfs/dbraw/zinc/38/29/46/571382946.db2.gz ZINWROMPUZHACB-ANSQWYIGSA-N 0 1 530.568 6.350 40 10 KKCBMN COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)c(Cl)c2)N3)c1 ZINC000104649541 571382976 /nfs/dbraw/zinc/38/29/76/571382976.db2.gz FOSJXZAAZCYQBD-GNBJCERTSA-N 0 1 531.461 6.638 40 10 KKCBMN CCN(CC)c1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)cc1 ZINC000222679740 571383484 /nfs/dbraw/zinc/38/34/84/571383484.db2.gz BQTYOIDOLYGJPP-UHFFFAOYSA-N 0 1 500.064 5.534 40 10 KKCBMN O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(CCCOc2ccccc2Cl)c2ccc(Br)cc12 ZINC000104882122 571387190 /nfs/dbraw/zinc/38/71/90/571387190.db2.gz PHFSHKPMACRSDD-PXLXIMEGSA-N 0 1 584.898 6.321 40 10 KKCBMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(/N=N/c4ccccc4)cc3O)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000105498519 571405915 /nfs/dbraw/zinc/40/59/15/571405915.db2.gz NKVNRKLHYGXERW-JYZYSUPLSA-N 0 1 559.047 5.573 40 10 KKCBMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(/N=N/c4ccccc4)cc3O)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000105499440 571406186 /nfs/dbraw/zinc/40/61/86/571406186.db2.gz JHJSFEFMWQCHPJ-SDCACLTKSA-N 0 1 570.696 5.641 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000150422021 571488030 /nfs/dbraw/zinc/48/80/30/571488030.db2.gz WIKUFILXGADLGF-GRSHGNNSSA-N 0 1 653.325 6.407 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000150481506 571512713 /nfs/dbraw/zinc/51/27/13/571512713.db2.gz NALPJOBFHCRNTL-YBFXNURJSA-N 0 1 649.304 5.473 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(I)c1 ZINC000164393664 571546980 /nfs/dbraw/zinc/54/69/80/571546980.db2.gz XKPVVNJDHZQSRM-CXUHLZMHSA-N 0 1 671.713 6.257 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1 ZINC000164391246 571547008 /nfs/dbraw/zinc/54/70/08/571547008.db2.gz MGIWVGMKSVRXEN-CXUHLZMHSA-N 0 1 669.164 6.524 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000164391726 571547052 /nfs/dbraw/zinc/54/70/52/571547052.db2.gz WBLVIXAQMVDRNY-CXUHLZMHSA-N 0 1 635.265 5.669 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(I)c(OCc2cccc3ccccc32)c(I)c1 ZINC000164399420 571547187 /nfs/dbraw/zinc/54/71/87/571547187.db2.gz SLLPGHUVNGMOHB-UDWIEESQSA-N 0 1 734.328 6.598 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000164405356 571547272 /nfs/dbraw/zinc/54/72/72/571547272.db2.gz LMGOJEQIEXQUPS-WOJGMQOQSA-N 0 1 636.870 5.893 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000164405222 571547280 /nfs/dbraw/zinc/54/72/80/571547280.db2.gz ACHMPKZHNMQXLD-GZTJUZNOSA-N 0 1 636.870 5.893 40 10 KKCBMN Cc1cccc(COc2c(I)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)cc2I)c1 ZINC000164398600 571547286 /nfs/dbraw/zinc/54/72/86/571547286.db2.gz WAQVWOYPKNFYCN-LICLKQGHSA-N 0 1 698.295 5.754 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(I)c(OCc2ccc3c(c2)OCO3)c(I)c1 ZINC000164399132 571547302 /nfs/dbraw/zinc/54/73/02/571547302.db2.gz IDMJAXOCVTURJG-VIZOYTHASA-N 0 1 728.277 5.174 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000164479745 571548883 /nfs/dbraw/zinc/54/88/83/571548883.db2.gz XMVMNOPBBBFKAS-ZDLGFXPLSA-N 0 1 636.749 6.284 40 10 KKCBMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1 ZINC000164479113 571548901 /nfs/dbraw/zinc/54/89/01/571548901.db2.gz ILNFGCBORFNRCI-USHMODERSA-N 0 1 683.425 8.168 40 10 KKCBMN Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C1=O)[C@@H](C)CC(C)(C)N2C ZINC000208235042 571573553 /nfs/dbraw/zinc/57/35/53/571573553.db2.gz QDBIVCCMLUTLAJ-MPMPPSQCSA-N 0 1 502.467 5.855 40 10 KKCBMN C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=S)N(c4cccc(Br)c4)C3=O)cc21 ZINC000208237847 571573658 /nfs/dbraw/zinc/57/36/58/571573658.db2.gz CZALZEAKQRUFSP-AGZSBTIMSA-N 0 1 532.891 5.656 40 10 KKCBMN C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)cc21 ZINC000208238533 571573673 /nfs/dbraw/zinc/57/36/73/571573673.db2.gz ARJYKJNJUYKQOP-DGGAMASNSA-N 0 1 522.885 6.200 40 10 KKCBMN CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4cccc(Br)c4)C3=O)cc2C(C)=CC1(C)C ZINC000208518273 571574672 /nfs/dbraw/zinc/57/46/72/571574672.db2.gz DUNZEUDEWOTPAP-CIAFOILYSA-N 0 1 524.484 5.611 40 10 KKCBMN COc1cc(COc2c(Br)cc(C=C3C(=O)NC(=O)NC3=O)cc2Br)ccc1OCc1ccccc1 ZINC000408538099 572196775 /nfs/dbraw/zinc/19/67/75/572196775.db2.gz JAPAOWZFVLOBQH-UHFFFAOYSA-N 0 1 616.262 5.128 40 10 KKCBMN CCOc1cc(COc2c(Cl)cc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)ccc1OCc1ccccc1 ZINC000408538711 572199199 /nfs/dbraw/zinc/19/91/99/572199199.db2.gz PNVYVAOMVYCTIV-UHFFFAOYSA-N 0 1 541.387 5.300 40 10 KKCBMN COc1cc(COc2ccc(Cl)cc2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccccc1 ZINC000408540054 572204173 /nfs/dbraw/zinc/20/41/73/572204173.db2.gz MIFGTTBEHHYVTD-ITYLOYPMSA-N 0 1 585.081 6.338 40 10 KKCBMN COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1NC(=O)c1ccccc1C ZINC000408585095 572266031 /nfs/dbraw/zinc/26/60/31/572266031.db2.gz CMDQXSOPNYDYDP-UHFFFAOYSA-N 0 1 535.021 5.941 40 10 KKCBMN CC(C)N1c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)cc2[C@H](C)CC1(C)C ZINC000260572412 572322741 /nfs/dbraw/zinc/32/27/41/572322741.db2.gz VGFYIMXIKQWQDS-GYZOOYGHSA-N 0 1 516.494 6.325 40 10 KKCBMN Cc1ccc(N2C(=O)C(=Cc3ccc4c(c3)CCN4Cc3ccccc3Cl)C(=O)NC2=S)cc1C ZINC000103100908 1069708509 /nfs/dbraw/zinc/70/85/09/1069708509.db2.gz AOQSMAUXOYZGLG-HAHDFKILSA-N 0 1 502.039 5.762 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408743705 1069728284 /nfs/dbraw/zinc/72/82/84/1069728284.db2.gz XKUKAFHGZJYJIQ-JAIQZWGSSA-N 0 1 618.880 5.672 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000408769371 1069876041 /nfs/dbraw/zinc/87/60/41/1069876041.db2.gz SEULVNPFCMPQGB-GIJQJNRQSA-N 0 1 515.378 5.140 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000408780107 1069902137 /nfs/dbraw/zinc/90/21/37/1069902137.db2.gz SHPRWCCNBKIYSQ-NTEUORMPSA-N 0 1 565.888 6.030 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)C(=O)NC2=S)cc1 ZINC000408780335 1069903188 /nfs/dbraw/zinc/90/31/88/1069903188.db2.gz BBFXKZNOCFVYFX-HYARGMPZSA-N 0 1 508.441 5.250 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000408818817 1069977782 /nfs/dbraw/zinc/97/77/82/1069977782.db2.gz QROWQQFUFBFDIR-CXUHLZMHSA-N 0 1 554.274 6.331 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408815037 1069982024 /nfs/dbraw/zinc/98/20/24/1069982024.db2.gz RHOSTIVOYOPNHE-WSDLNYQXSA-N 0 1 555.483 6.419 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc(F)c1 ZINC000408843565 1070048660 /nfs/dbraw/zinc/04/86/60/1070048660.db2.gz GAXQSMHHEOMUDE-GZTJUZNOSA-N 0 1 580.262 6.305 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408852468 1070059596 /nfs/dbraw/zinc/05/95/96/1070059596.db2.gz LFQHAFKYOHDHBL-UKTHLTGXSA-N 0 1 522.753 5.646 40 10 KKCBMN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cccn2-c2ccc(Br)cc2)C(=O)NC1=S ZINC000408852755 1070059801 /nfs/dbraw/zinc/05/98/01/1070059801.db2.gz HZQJTVWMLOJCEY-LDADJPATSA-N 0 1 545.256 5.142 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408852242 1070058965 /nfs/dbraw/zinc/05/89/65/1070058965.db2.gz FGJUMJNJMUHMNS-CXUHLZMHSA-N 0 1 684.295 5.925 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Br)c(OCc2cccc(F)c2)c(I)c1 ZINC000408849987 1070063492 /nfs/dbraw/zinc/06/34/92/1070063492.db2.gz CKDOCFGUCGWQOO-OVCLIPMQSA-N 0 1 706.158 6.910 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Br)c1OCc1ccc2c(c1)OCO2 ZINC000408849204 1070062269 /nfs/dbraw/zinc/06/22/69/1070062269.db2.gz VQBPJSMZGBRGTQ-VIZOYTHASA-N 0 1 636.307 5.904 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000408853712 1070070371 /nfs/dbraw/zinc/07/03/71/1070070371.db2.gz WWYUPOMVQZFMQD-WOJGMQOQSA-N 0 1 575.901 6.764 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408857238 1070067537 /nfs/dbraw/zinc/06/75/37/1070067537.db2.gz LNYORJNUBPPAHJ-OQLLNIDSSA-N 0 1 673.743 6.670 40 10 KKCBMN Cc1cccc(COc2c(Br)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)cc2Br)c1 ZINC000408855550 1070074614 /nfs/dbraw/zinc/07/46/14/1070074614.db2.gz GAXPLNSRVBQHIB-CXUHLZMHSA-N 0 1 655.195 7.237 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Br)cc2)c(Cl)c1 ZINC000408870850 1070094693 /nfs/dbraw/zinc/09/46/93/1070094693.db2.gz UVIXCUGBNGMLDJ-UNOMPAQXSA-N 0 1 527.827 5.513 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1c(OCc2cccc3ccccc32)ccc2ccccc21 ZINC000408874813 1070102300 /nfs/dbraw/zinc/10/23/00/1070102300.db2.gz BCDCDSJVEHWOJA-USHMODERSA-N 0 1 514.606 6.403 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1Cc1ccccc1Br ZINC000408880155 1070105817 /nfs/dbraw/zinc/10/58/17/1070105817.db2.gz GDPYBRNJPDFWOQ-NDENLUEZSA-N 0 1 555.881 5.923 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408877138 1070111157 /nfs/dbraw/zinc/11/11/57/1070111157.db2.gz TTYHMWICNGJZOV-ZDLGFXPLSA-N 0 1 606.325 6.565 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1Br ZINC000408883786 1070117709 /nfs/dbraw/zinc/11/77/09/1070117709.db2.gz UWXWCELPAGPFEN-WQRHYEAKSA-N 0 1 602.304 5.631 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408888756 1070130245 /nfs/dbraw/zinc/13/02/45/1070130245.db2.gz ACRNLHKIHNFQAR-ODLFYWEKSA-N 0 1 541.398 5.007 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408887107 1070137056 /nfs/dbraw/zinc/13/70/56/1070137056.db2.gz MCMAUZBDIKRZOE-MTJSOVHGSA-N 0 1 507.011 5.376 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1OCc1ccccc1Br ZINC000408893108 1070155162 /nfs/dbraw/zinc/15/51/62/1070155162.db2.gz FKPBZKAVKGAZOE-UYRXBGFRSA-N 0 1 572.278 5.622 40 10 KKCBMN O=C(CSc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)cc1[N+](=O)[O-])Nc1ccc2ccccc2c1 ZINC000408987072 1070349310 /nfs/dbraw/zinc/34/93/10/1070349310.db2.gz ADAOAAXWONPYAY-OEAKJJBVSA-N 0 1 568.636 5.310 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(NC(=O)c6ccccc6)cc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1 ZINC000408991656 1070358395 /nfs/dbraw/zinc/35/83/95/1070358395.db2.gz OTOLESQJZWTMMA-HZHRSRAPSA-N 0 1 651.751 6.748 40 10 KKCBMN Cc1cccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(NC(=O)c6ccccc6C)cc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)c1 ZINC000408991689 1070358778 /nfs/dbraw/zinc/35/87/78/1070358778.db2.gz OWLXPKZJKDHUMR-BUVRLJJBSA-N 0 1 665.778 7.056 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(I)cc4)cc3)C(=O)NC2=S)c(C)c1 ZINC000408997465 1070367247 /nfs/dbraw/zinc/36/72/47/1070367247.db2.gz GOPDAWNLSFAFIK-HYARGMPZSA-N 0 1 568.436 5.318 40 10 KKCBMN O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000409090549 1070524963 /nfs/dbraw/zinc/52/49/63/1070524963.db2.gz RDDVZMJAEIZKRO-WOJGMQOQSA-N 0 1 519.862 6.629 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000409098483 1070531384 /nfs/dbraw/zinc/53/13/84/1070531384.db2.gz IODHVXPQFMXCNJ-OEAKJJBVSA-N 0 1 632.054 6.496 40 10 KKCBMN CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1Br ZINC000409105716 1070540014 /nfs/dbraw/zinc/54/00/14/1070540014.db2.gz OBERFRWRILDNIJ-JXCQQFQQSA-N 0 1 507.837 5.420 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(C)c([N+](=O)[O-])c1 ZINC000409106711 1070540981 /nfs/dbraw/zinc/54/09/81/1070540981.db2.gz SVVBJTZZSUDHDQ-YBFXNURJSA-N 0 1 508.987 5.104 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Br)c(OS(=O)(=O)c4ccc(Cl)cc4)c(OC)c3)C2=O)cc1OC ZINC000409125034 1070552618 /nfs/dbraw/zinc/55/26/18/1070552618.db2.gz ITZHKQAQJCWDSJ-CIAFOILYSA-N 0 1 693.956 5.338 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(Cl)c4)cc3)C2=O)cc1OC ZINC000409149264 1070567146 /nfs/dbraw/zinc/56/71/46/1070567146.db2.gz ZXEKQPKUZFBMJF-BUVRLJJBSA-N 0 1 534.996 5.378 40 10 KKCBMN COc1ccccc1N1C(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)C(=O)NC1=S ZINC000409172847 1070588307 /nfs/dbraw/zinc/58/83/07/1070588307.db2.gz LYRXNRHQQFGAOF-OOAXWGSJSA-N 0 1 634.555 7.414 40 10 KKCBMN COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)C(=O)NC1=S ZINC000409175046 1070590441 /nfs/dbraw/zinc/59/04/41/1070590441.db2.gz YPRKJTNAVOGBRY-YZSQISJMSA-N 0 1 616.537 6.276 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1OCC ZINC000409194113 1070612786 /nfs/dbraw/zinc/61/27/86/1070612786.db2.gz MYGWIVSGJPVVAP-OEAKJJBVSA-N 0 1 638.471 5.786 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccccc3OCc3cccc4ccccc43)C2=O)cc1OCC ZINC000409194198 1070612916 /nfs/dbraw/zinc/61/29/16/1070612916.db2.gz OLXYKYGQTPUDRX-VFCFBJKWSA-N 0 1 564.638 6.268 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccccc4F)c(OCC)c3)C2=O)cc1OCC ZINC000409195944 1070615649 /nfs/dbraw/zinc/61/56/49/1070615649.db2.gz XAGFACYOOOOFAC-OEAKJJBVSA-N 0 1 655.517 6.415 40 10 KKCBMN Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2Br)c(C)c1 ZINC000409248575 1070665621 /nfs/dbraw/zinc/66/56/21/1070665621.db2.gz DUDZZPYZJGUBFE-ODLFYWEKSA-N 0 1 643.357 5.677 40 10 KKCBMN Cc1cc(C)cc(COc2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2Br)c1 ZINC000408889073 1070810534 /nfs/dbraw/zinc/81/05/34/1070810534.db2.gz DGGPFLUOFZENOB-BKUYFWCQSA-N 0 1 521.436 5.476 40 10 KKCBMN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000409333697 1070839344 /nfs/dbraw/zinc/83/93/44/1070839344.db2.gz VFZIPXHGGQBWAY-BKUYFWCQSA-N 0 1 514.625 5.411 40 10 KKCBMN O=C(NN1C(=O)/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)SC1=S)c1cccs1 ZINC000409343140 1070851550 /nfs/dbraw/zinc/85/15/50/1070851550.db2.gz DONSWDWZTFYTOK-GIJQJNRQSA-N 0 1 630.445 6.776 40 10 KKCBMN O=C(NN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(F)cc2)SC1=S)c1cccs1 ZINC000409352220 1070870586 /nfs/dbraw/zinc/87/05/86/1070870586.db2.gz WTBFHCALOVSKNM-ODLFYWEKSA-N 0 1 549.468 5.775 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2Br)c(Br)c1 ZINC000408889397 1070888219 /nfs/dbraw/zinc/88/82/19/1070888219.db2.gz GCTMFLRLOGFOBK-PDGQHHTCSA-N 0 1 572.278 5.622 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409374807 1070898429 /nfs/dbraw/zinc/89/84/29/1070898429.db2.gz ZTJXTMIYGVXLJR-VCHYOVAHSA-N 0 1 559.800 5.335 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409389166 1070911629 /nfs/dbraw/zinc/91/16/29/1070911629.db2.gz ZODXSQHQFBLRMB-FYJGNVAPSA-N 0 1 646.934 6.316 40 10 KKCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)cc(Br)c1OCc1cccc2ccccc21 ZINC000409399663 1070914294 /nfs/dbraw/zinc/91/42/94/1070914294.db2.gz LMTMCPSUQDQFLK-UCQKPKSFSA-N 0 1 533.809 6.296 40 10 KKCBMN COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000409409477 1070927082 /nfs/dbraw/zinc/92/70/82/1070927082.db2.gz VNJRCINKKHNKTQ-YBFXNURJSA-N 0 1 558.226 5.261 40 10 KKCBMN Cc1ccc(Sc2oc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2Br)cc1 ZINC000408914744 1071011877 /nfs/dbraw/zinc/01/18/77/1071011877.db2.gz YUTILRDLFMMPEJ-OQLLNIDSSA-N 0 1 568.301 6.640 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(Sc4ccc(C)cc4)o3)C(=O)NC2=S)cc1 ZINC000408912416 1071024017 /nfs/dbraw/zinc/02/40/17/1071024017.db2.gz QRBIMYSIWOZEFZ-XDHOZWIPSA-N 0 1 527.465 5.895 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408692866 1071393293 /nfs/dbraw/zinc/39/32/93/1071393293.db2.gz XGGPAWUFZXEMKC-YBFXNURJSA-N 0 1 503.382 5.376 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408692704 1071393788 /nfs/dbraw/zinc/39/37/88/1071393788.db2.gz SLLSQXQTAJOJLT-GIJQJNRQSA-N 0 1 537.827 6.029 40 10 KKCBMN CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c1C ZINC000408967269 1071407012 /nfs/dbraw/zinc/40/70/12/1071407012.db2.gz PRJPKXQBKCPZJH-KGENOOAVSA-N 0 1 522.468 5.559 40 10 KKCBMN Cc1ccc(-c2ccc(/C=C3/C(=O)NC(=S)N(c4ccc(F)c(Cl)c4)C3=O)o2)c(Br)c1 ZINC000408968452 1071462260 /nfs/dbraw/zinc/46/22/60/1071462260.db2.gz YYDWGIBAJQCKEC-GDNBJRDFSA-N 0 1 519.779 5.641 40 10 KKCBMN CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)NC(=S)N(c4ccc(F)c(Cl)c4)C3=O)c2-c2ccccc2)cc1 ZINC000408968181 1071462998 /nfs/dbraw/zinc/46/29/98/1071462998.db2.gz WZMVYUVGBAKTLS-USHMODERSA-N 0 1 650.131 7.612 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(Br)cc1F ZINC000408968169 1071463077 /nfs/dbraw/zinc/46/30/77/1071463077.db2.gz WXCXEZUBNFDSQW-LZYBPNLTSA-N 0 1 550.812 5.620 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408722904 1071531615 /nfs/dbraw/zinc/53/16/15/1071531615.db2.gz OCEMKLXUACLSRW-FSJBWODESA-N 0 1 654.913 6.517 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408722301 1071534481 /nfs/dbraw/zinc/53/44/81/1071534481.db2.gz GSQUMNMIQBHCLL-DJKKODMXSA-N 0 1 687.770 7.060 40 10 KKCBMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(Sc2ccccc2)o1 ZINC000408995247 1071553153 /nfs/dbraw/zinc/55/31/53/1071553153.db2.gz BBSIHNUFTXNRMZ-MHWRWJLKSA-N 0 1 519.829 5.678 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)C(=O)NC2=S)cc1 ZINC000408991985 1071576651 /nfs/dbraw/zinc/57/66/51/1071576651.db2.gz PNMJQELBGXVQLZ-LFIBNONCSA-N 0 1 522.589 5.088 40 10 KKCBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)[C@@H]7CCCC[C@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)c1 ZINC000408991454 1071579640 /nfs/dbraw/zinc/57/96/40/1071579640.db2.gz OGLKSJJJWALMLX-KDYRRFBVSA-N 0 1 697.820 6.483 40 10 KKCBMN Cc1cccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(NC(=O)c6ccccc6)cc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)c1 ZINC000408991010 1071583561 /nfs/dbraw/zinc/58/35/61/1071583561.db2.gz MHOCNLGJEATNQG-HZHRSRAPSA-N 0 1 651.751 6.748 40 10 KKCBMN CCOc1ccc2nc(Sc3ccc(/C=C4\C(=O)NC(=S)N(c5cc(C)cc(C)c5)C4=O)o3)sc2c1 ZINC000408990743 1071585949 /nfs/dbraw/zinc/58/59/49/1071585949.db2.gz LQEGNJKJMUYXAI-XDHOZWIPSA-N 0 1 535.672 5.887 40 10 KKCBMN CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4)C3=O)c2-c2ccccc2)cc1 ZINC000408739521 1071603275 /nfs/dbraw/zinc/60/32/75/1071603275.db2.gz CKRGCLPHJDLPJJ-TWKHWXDSSA-N 0 1 632.141 7.473 40 10 KKCBMN CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4)C3=O)c2-c2ccccc2)cc1 ZINC000408739244 1071605012 /nfs/dbraw/zinc/60/50/12/1071605012.db2.gz AIFZIMXIPAUAAQ-DFKUXCBWSA-N 0 1 611.723 7.128 40 10 KKCBMN O=C1C(=Cc2cc(Br)c(O)c(I)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408738495 1071608931 /nfs/dbraw/zinc/60/89/31/1071608931.db2.gz ZTMAPZDYZSZZGS-UHFFFAOYSA-N 0 1 589.183 5.343 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408743628 1071617855 /nfs/dbraw/zinc/61/78/55/1071617855.db2.gz WKJHGMVPXAQCPT-CIAFOILYSA-N 0 1 582.432 5.166 40 10 KKCBMN CCOc1cccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc(Cl)cc4)c3-c3ccccc3)C(=O)NC2=S)c1 ZINC000408743684 1071617889 /nfs/dbraw/zinc/61/78/89/1071617889.db2.gz XANXKOLTFOYSQA-COEJQBHMSA-N 0 1 604.131 7.695 40 10 KKCBMN CC[C@H](C)c1ccc(N2C(=O)/C(=C/c3cc(Br)c(Sc4ccccc4)o3)C(=O)NC2=S)cc1 ZINC000408996497 1071618112 /nfs/dbraw/zinc/61/81/12/1071618112.db2.gz IGORMUMCQQDVGA-NPRIEWAGSA-N 0 1 541.492 6.538 40 10 KKCBMN CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)c1C)CCCC2 ZINC000408743274 1071618369 /nfs/dbraw/zinc/61/83/69/1071618369.db2.gz RVXJSQKKEAZOSI-KGENOOAVSA-N 0 1 568.120 5.696 40 10 KKCBMN CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4)C3=O)c1C)CCCC2 ZINC000408741806 1071623372 /nfs/dbraw/zinc/62/33/72/1071623372.db2.gz LHHYNCQJSFHRDH-FYJGNVAPSA-N 0 1 568.120 5.696 40 10 KKCBMN Cc1cc(Br)ccc1N1C(=O)/C(=C\c2c3ccccc3cc3ccccc32)C(=O)NC1=S ZINC000408741789 1071623386 /nfs/dbraw/zinc/62/33/86/1071623386.db2.gz NUGULIBAANICGX-HMAPJEAMSA-N 0 1 501.405 5.895 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000408741774 1071624580 /nfs/dbraw/zinc/62/45/80/1071624580.db2.gz NTKMSAVLDFWSOL-RGVLZGJSSA-N 0 1 541.398 5.007 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408741239 1071626131 /nfs/dbraw/zinc/62/61/31/1071626131.db2.gz KTMSQSDOCUTZBA-UDWIEESQSA-N 0 1 571.880 5.912 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000408740450 1071630773 /nfs/dbraw/zinc/63/07/73/1071630773.db2.gz GCYQPZNDOQCPHP-ONUIUJJFSA-N 0 1 570.512 6.663 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408739970 1071632612 /nfs/dbraw/zinc/63/26/12/1071632612.db2.gz CCGPDMFNHLVYTA-UFWORHAWSA-N 0 1 685.221 7.327 40 10 KKCBMN COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(/N=N/c6ccccc6)cc5O)c(=O)n42)c2ccccc2CC3)cc1 ZINC000408755834 1071641022 /nfs/dbraw/zinc/64/10/22/1071641022.db2.gz GBOKZPYUMRYPDZ-WRHZMTGYSA-N 0 1 570.674 6.448 40 10 KKCBMN O=c1/c(=C/c2ccc(/N=N/c3ccccc3)cc2O)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000408754746 1071650506 /nfs/dbraw/zinc/65/05/06/1071650506.db2.gz HXSRXWBZUFWASV-LXOSGRFASA-N 0 1 540.648 6.440 40 10 KKCBMN COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC4CSC4)cc2)N3)c1 ZINC000408997386 1071664828 /nfs/dbraw/zinc/66/48/28/1071664828.db2.gz OCGXYDDUELYSPR-CTVOUCONSA-N 0 1 550.702 5.825 40 10 KKCBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(-c4ccc(Br)c(Cl)c4)o3)C(=O)NC2=S)c1 ZINC000409012359 1071684180 /nfs/dbraw/zinc/68/41/80/1071684180.db2.gz JLHHOLJSIMKYNX-GZTJUZNOSA-N 0 1 515.816 5.811 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(Oc5ccc(C(F)(F)F)cc5[N+](=O)[O-])cc4)c3C)C(=O)NC2=S)cc1 ZINC000408759473 1071700403 /nfs/dbraw/zinc/70/04/03/1071700403.db2.gz FQISQAIUEYUUKC-MYYYXRDXSA-N 0 1 636.608 6.653 40 10 KKCBMN COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4ccc(/N=N/c5ccccc5)cc4O)c(=O)n31)c1ccccc1CC2 ZINC000408757883 1071708883 /nfs/dbraw/zinc/70/88/83/1071708883.db2.gz ROBUSBDVXRXNTG-FBBBDQANSA-N 0 1 570.674 6.448 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408766745 1071719027 /nfs/dbraw/zinc/71/90/27/1071719027.db2.gz FXNVKUFVHNWJGZ-BUVRLJJBSA-N 0 1 655.401 7.574 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408763549 1071731457 /nfs/dbraw/zinc/73/14/57/1071731457.db2.gz PQIXJEAWTLVUFA-MYYYXRDXSA-N 0 1 617.521 6.420 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1cccc(Cl)c1 ZINC000408762713 1071734649 /nfs/dbraw/zinc/73/46/49/1071734649.db2.gz FVHHGYQCKOLKPE-RGVLZGJSSA-N 0 1 528.859 5.650 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408772715 1071772433 /nfs/dbraw/zinc/77/24/33/1071772433.db2.gz FJFZKBJYSYPNBB-FYJGNVAPSA-N 0 1 598.462 5.327 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(OCc5ccc(Br)cc5)cc4)c3C)C(=O)NC2=S)cc1 ZINC000408777270 1071844086 /nfs/dbraw/zinc/84/40/86/1071844086.db2.gz XJVUXLWKQZUPSG-RDRPBHBLSA-N 0 1 614.565 6.829 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408783238 1071872280 /nfs/dbraw/zinc/87/22/80/1071872280.db2.gz LLGXTHILUGUDCW-HZHRSRAPSA-N 0 1 536.495 5.985 40 10 KKCBMN Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)NC1=S ZINC000409068910 1072107751 /nfs/dbraw/zinc/10/77/51/1072107751.db2.gz KGFMPNZPPAHQBX-FYJGNVAPSA-N 0 1 520.441 6.136 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1cccc2ccccc21 ZINC000409097131 1072230598 /nfs/dbraw/zinc/23/05/98/1072230598.db2.gz NBJRZKXRKIYKIT-PXLXIMEGSA-N 0 1 500.023 6.040 40 10 KKCBMN COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c1C ZINC000409094934 1072243437 /nfs/dbraw/zinc/24/34/37/1072243437.db2.gz GKZPVJIVHLPHPQ-WOJGMQOQSA-N 0 1 514.434 5.549 40 10 KKCBMN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409326318 1072249511 /nfs/dbraw/zinc/24/95/11/1072249511.db2.gz ACRONALCPLUHOP-UDWIEESQSA-N 0 1 609.976 6.688 40 10 KKCBMN Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cn(Cc3cccc4ccccc43)c3ccccc23)C(=O)NC1=S ZINC000409101859 1072311882 /nfs/dbraw/zinc/31/18/82/1072311882.db2.gz BTWXUSGQKVDXNW-PCLIKHOPSA-N 0 1 536.056 6.636 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(OCc5ccc(Cl)cc5)cc4)c3C)C(=O)NC2=S)c(OC)c1 ZINC000409097522 1072336831 /nfs/dbraw/zinc/33/68/31/1072336831.db2.gz IUZCFEYVGOSDCC-JVWAILMASA-N 0 1 602.112 6.175 40 10 KKCBMN CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1Br ZINC000409105721 1072348583 /nfs/dbraw/zinc/34/85/83/1072348583.db2.gz OBERFRWRILDNIJ-XBUHWIKASA-N 0 1 507.837 5.420 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409104136 1072357340 /nfs/dbraw/zinc/35/73/40/1072357340.db2.gz DYVXAKOWJFXCRD-WGOQTCKBSA-N 0 1 590.532 7.120 40 10 KKCBMN COc1cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000409329420 1072386087 /nfs/dbraw/zinc/38/60/87/1072386087.db2.gz FMUVMEXQGBCKLI-NDENLUEZSA-N 0 1 608.504 5.487 40 10 KKCBMN O=C(NN1C(=O)/C(=C\c2cc(Cl)ccc2OCc2cccc(Cl)c2)SC1=S)c1cccs1 ZINC000409327800 1072398749 /nfs/dbraw/zinc/39/87/49/1072398749.db2.gz NEEAHALLHFVHHS-YBFXNURJSA-N 0 1 521.472 6.180 40 10 KKCBMN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409346150 1072418074 /nfs/dbraw/zinc/41/80/74/1072418074.db2.gz NILVVQOUKUSFTC-FYJGNVAPSA-N 0 1 541.632 5.180 40 10 KKCBMN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000409345971 1072419110 /nfs/dbraw/zinc/41/91/10/1072419110.db2.gz MAFXHRHSCQOAES-MOSHPQCFSA-N 0 1 531.080 5.925 40 10 KKCBMN COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br ZINC000409346079 1072419710 /nfs/dbraw/zinc/41/97/10/1072419710.db2.gz NBBYNDXQQRJGET-WSDLNYQXSA-N 0 1 632.583 5.700 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4F)c(Cl)c3)C2=O)cc1OC ZINC000409127133 1072447760 /nfs/dbraw/zinc/44/77/60/1072447760.db2.gz GXWUJCQYBCWPTI-FYJGNVAPSA-N 0 1 552.986 5.518 40 10 KKCBMN Cc1cc(Br)c(NC(=O)COc2ccc(/C=C3/SC(=S)N(NC(=O)c4cccs4)C3=O)cc2)cc1C ZINC000409342105 1072451959 /nfs/dbraw/zinc/45/19/59/1072451959.db2.gz DHCDXQGVAHVBQN-CIAFOILYSA-N 0 1 602.557 5.691 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4cccc5ccccc54)c(OCC)c3)C2=O)cc1OC ZINC000409124052 1072468712 /nfs/dbraw/zinc/46/87/12/1072468712.db2.gz JXEVWHWRJHVBBU-JVWAILMASA-N 0 1 720.560 6.882 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccc(Cl)cc4)c(Br)c3)C2=O)cc1OC ZINC000409123995 1072470304 /nfs/dbraw/zinc/47/03/04/1072470304.db2.gz JOHMWLOCMKKCEH-SRZZPIQSSA-N 0 1 692.788 6.903 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccccc3OCc3cccc(Cl)c3)C2=O)cc1OC ZINC000409123722 1072471932 /nfs/dbraw/zinc/47/19/32/1072471932.db2.gz DLFABWZWEOSLDX-XQNSMLJCSA-N 0 1 534.996 5.378 40 10 KKCBMN CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)c1C)CCCC2 ZINC000409137218 1072472867 /nfs/dbraw/zinc/47/28/67/1072472867.db2.gz UUQKLGZUAFDLBI-PXLXIMEGSA-N 0 1 561.729 5.659 40 10 KKCBMN CC[C@@H](C)Oc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1OC ZINC000409137269 1072473555 /nfs/dbraw/zinc/47/35/55/1072473555.db2.gz WIIXHXJTUXETMZ-ZXMBATIKSA-N 0 1 517.445 5.083 40 10 KKCBMN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409339639 1072475282 /nfs/dbraw/zinc/47/52/82/1072475282.db2.gz XMTXXFGGBOFZAB-RGVLZGJSSA-N 0 1 572.602 5.302 40 10 KKCBMN O=C1/C(=C/c2cc(I)c(O)c(I)c2)SC(=S)N1C1CCCCC1 ZINC000409339427 1072475766 /nfs/dbraw/zinc/47/57/66/1072475766.db2.gz VKISPIRNJGYJJL-JYRVWZFOSA-N 0 1 571.243 5.135 40 10 KKCBMN COc1cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000409339249 1072477120 /nfs/dbraw/zinc/47/71/20/1072477120.db2.gz GDEGYKAZLVIJFK-UNOMPAQXSA-N 0 1 517.053 5.535 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Br)cc(Br)c3OCc3cccc4ccccc43)C2=O)cc1OC ZINC000409136157 1072479777 /nfs/dbraw/zinc/47/97/77/1072479777.db2.gz TVDVZRHTWIITLL-WGOQTCKBSA-N 0 1 708.403 7.403 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccc(Br)cc4)c(Br)c3)C2=O)cc1OC ZINC000409135157 1072486668 /nfs/dbraw/zinc/48/66/68/1072486668.db2.gz VBAKQMKYGDETSX-SRZZPIQSSA-N 0 1 737.239 7.013 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4cccc(F)c4)c(OC)c3)C2=O)cc1OC ZINC000409135039 1072488175 /nfs/dbraw/zinc/48/81/75/1072488175.db2.gz PPFOXQRNOREFAZ-WSDLNYQXSA-N 0 1 583.012 5.526 40 10 KKCBMN Cc1cccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4Cl)c4ccccc34)C(=O)NC2=S)c1C ZINC000409133228 1072499791 /nfs/dbraw/zinc/49/97/91/1072499791.db2.gz NBTOAVVOIXJOBE-HYARGMPZSA-N 0 1 500.023 5.791 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3cccc(Cl)c3)C2=O)cc1OC ZINC000409131346 1072509400 /nfs/dbraw/zinc/50/94/00/1072509400.db2.gz IHMQPONLPYONDL-HZHRSRAPSA-N 0 1 569.441 6.032 40 10 KKCBMN Cc1cccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)C(=O)NC2=S)c1C ZINC000409131198 1072510631 /nfs/dbraw/zinc/51/06/31/1072510631.db2.gz MKKKVHFARXIKJC-BRPDVVIDSA-N 0 1 598.684 7.168 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1OC ZINC000409130699 1072514220 /nfs/dbraw/zinc/51/42/20/1072514220.db2.gz XKJIHYTVSIDUCQ-WSDLNYQXSA-N 0 1 643.918 6.150 40 10 KKCBMN O=C(NN1C(=O)/C(=C\c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)SC1=S)c1cccs1 ZINC000409352916 1072525537 /nfs/dbraw/zinc/52/55/37/1072525537.db2.gz ZNMOQBNSSSIPRA-VCHYOVAHSA-N 0 1 628.364 6.537 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc(Cl)cc4Cl)c(Cl)c3)C2=O)cc1OC ZINC000409144807 1072532009 /nfs/dbraw/zinc/53/20/09/1072532009.db2.gz PFCCRNWVZHCJGS-AWQFTUOYSA-N 0 1 638.331 7.339 40 10 KKCBMN O=C(NN1C(=O)/C(=C\c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)SC1=S)c1cccs1 ZINC000409351284 1072537257 /nfs/dbraw/zinc/53/72/57/1072537257.db2.gz TUUHHELKRGYERE-OEAKJJBVSA-N 0 1 537.087 6.680 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)C(=O)NC2=S)c(C)c1 ZINC000409142441 1072547274 /nfs/dbraw/zinc/54/72/74/1072547274.db2.gz KLKBMHZKHNRTHV-FYJGNVAPSA-N 0 1 534.468 6.445 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)c(Cl)c3)C2=O)cc1OC ZINC000409137407 1072576330 /nfs/dbraw/zinc/57/63/30/1072576330.db2.gz UYOLWOBGXNZIAO-LPYMAVHISA-N 0 1 569.441 6.032 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(F)c4)c(OCC)c3)C2=O)cc1OC ZINC000409146432 1072581853 /nfs/dbraw/zinc/58/18/53/1072581853.db2.gz SPYMYNZEWZXKEI-BUVRLJJBSA-N 0 1 562.594 5.263 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccccc4F)c(OC)c3)C2=O)cc1OC ZINC000409146120 1072583331 /nfs/dbraw/zinc/58/33/31/1072583331.db2.gz JQMZHHXYAPOVJL-CIAFOILYSA-N 0 1 583.012 5.526 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OS(=O)(=O)c4ccc(Cl)cc4)c(Br)c3)C2=O)cc1OC ZINC000409145514 1072586412 /nfs/dbraw/zinc/58/64/12/1072586412.db2.gz QPFUPXGXIXMSFM-RGVLZGJSSA-N 0 1 742.826 6.092 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(I)c1OCc1ccc2ccccc2c1 ZINC000409374796 1072635400 /nfs/dbraw/zinc/63/54/00/1072635400.db2.gz ZLSIFKPQSJAYDU-YDZHTSKRSA-N 0 1 622.415 5.677 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409374426 1072636836 /nfs/dbraw/zinc/63/68/36/1072636836.db2.gz PFDXENBSPLIZLD-QGMBQPNBSA-N 0 1 549.794 5.880 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000409374211 1072639904 /nfs/dbraw/zinc/63/99/04/1072639904.db2.gz KVGFAFWFZJHMKF-YDZHTSKRSA-N 0 1 575.415 5.835 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000409373880 1072640645 /nfs/dbraw/zinc/64/06/45/1072640645.db2.gz IPHYDFRSCUYGBP-QGMBQPNBSA-N 0 1 594.245 5.989 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409372541 1072644506 /nfs/dbraw/zinc/64/45/06/1072644506.db2.gz DXSRIXUHXKFIMF-CAOOACKPSA-N 0 1 641.245 5.831 40 10 KKCBMN Cc1cccc(N2C(=O)/C(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C(=O)NC2=S)c1C ZINC000409147698 1072646921 /nfs/dbraw/zinc/64/69/21/1072646921.db2.gz VSTNVZAWWNTDRY-OEAKJJBVSA-N 0 1 510.575 5.046 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCc4cccc(C)c4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409371990 1072647092 /nfs/dbraw/zinc/64/70/92/1072647092.db2.gz XRIFESAZOMFKMB-LPYMAVHISA-N 0 1 521.038 5.630 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(I)c4)c3C)C(=O)NC2=S)cc1 ZINC000409379234 1072671096 /nfs/dbraw/zinc/67/10/96/1072671096.db2.gz VYUJEQAPMUOKJZ-LPYMAVHISA-N 0 1 555.441 5.092 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409379348 1072671476 /nfs/dbraw/zinc/67/14/76/1072671476.db2.gz WIRUUMUABQPLQL-LPYMAVHISA-N 0 1 599.934 6.474 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4)c(Br)c3)C(=O)NC2=S)cc1 ZINC000409377943 1072677783 /nfs/dbraw/zinc/67/77/83/1072677783.db2.gz KURNLKWLNZUCGW-KGENOOAVSA-N 0 1 521.436 5.422 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccc(C)cc3)C(=O)NC2=S)cc1 ZINC000409377334 1072679899 /nfs/dbraw/zinc/67/98/99/1072679899.db2.gz GLJIHSBNNFPCFS-HZHRSRAPSA-N 0 1 535.463 5.730 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000409382613 1072705444 /nfs/dbraw/zinc/70/54/44/1072705444.db2.gz VHCINKVRCXUMBS-OEAKJJBVSA-N 0 1 626.516 5.971 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409382714 1072706100 /nfs/dbraw/zinc/70/61/00/1072706100.db2.gz PUXDOKTZDLMCMX-RGVLZGJSSA-N 0 1 589.928 7.018 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409382487 1072706457 /nfs/dbraw/zinc/70/64/57/1072706457.db2.gz NMQTUKJJOPYJAQ-UDWIEESQSA-N 0 1 541.456 5.975 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409382368 1072707509 /nfs/dbraw/zinc/70/75/09/1072707509.db2.gz KSXXEMGLTMWAOY-HZHRSRAPSA-N 0 1 521.038 5.711 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OC(C)C ZINC000409382083 1072708983 /nfs/dbraw/zinc/70/89/83/1072708983.db2.gz KGFHOWUNQZYLGR-WOJGMQOQSA-N 0 1 517.445 5.029 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000409381943 1072709439 /nfs/dbraw/zinc/70/94/39/1072709439.db2.gz IKERLZRWTGHVRA-OEAKJJBVSA-N 0 1 535.065 6.020 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cccc(C)c4)c(I)c3)C(=O)NC2=S)cc1 ZINC000409381363 1072712252 /nfs/dbraw/zinc/71/22/52/1072712252.db2.gz SYWGJZCSRTVGIF-HYARGMPZSA-N 0 1 582.463 5.572 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409381196 1072713653 /nfs/dbraw/zinc/71/36/53/1072713653.db2.gz SDJJVXVFVKUQFN-LPYMAVHISA-N 0 1 610.486 5.729 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccc(Br)cc4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409380999 1072713934 /nfs/dbraw/zinc/71/39/34/1072713934.db2.gz QPVOIQYRAILUHF-CIAFOILYSA-N 0 1 677.358 6.035 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000409380978 1072714099 /nfs/dbraw/zinc/71/40/99/1072714099.db2.gz QIDLUFGWDCXXAO-HYARGMPZSA-N 0 1 608.514 5.259 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccccc4Cl)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409381086 1072715004 /nfs/dbraw/zinc/71/50/04/1072715004.db2.gz DWCVZQJRYNXYCN-UDWIEESQSA-N 0 1 632.907 5.926 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCC(=O)Nc4ccc(C)cc4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409380922 1072715487 /nfs/dbraw/zinc/71/54/87/1072715487.db2.gz CEWWSDREZVUFLN-LPYMAVHISA-N 0 1 655.514 5.019 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4ccccc4Cl)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409379822 1072720593 /nfs/dbraw/zinc/72/05/93/1072720593.db2.gz ZVVPILBNTBHCIE-NDENLUEZSA-N 0 1 585.907 6.084 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])c(Cl)cc4Cl)o3)C(=O)NC2=S)cc1 ZINC000409379936 1072721433 /nfs/dbraw/zinc/72/14/33/1072721433.db2.gz COXPWOFVEURIEI-CXUHLZMHSA-N 0 1 516.362 5.555 40 10 KKCBMN COc1ccccc1N1C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)NC1=S ZINC000409174057 1072724663 /nfs/dbraw/zinc/72/46/63/1072724663.db2.gz QYMFWEZBDOZPJL-KGENOOAVSA-N 0 1 501.995 5.183 40 10 KKCBMN COc1ccccc1N1C(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)C(=O)NC1=S ZINC000409171446 1072740891 /nfs/dbraw/zinc/74/08/91/1072740891.db2.gz BMROJWIUANQPGI-OOAXWGSJSA-N 0 1 600.656 6.559 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409410170 1072807023 /nfs/dbraw/zinc/80/70/23/1072807023.db2.gz ZUTOGOVXNAQRPU-IWIPYMOSSA-N 0 1 543.417 6.041 40 10 KKCBMN COc1cc(Br)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc(Br)cc1 ZINC000409409820 1072808835 /nfs/dbraw/zinc/80/88/35/1072808835.db2.gz XLRJYUQHJWVKLY-UDWIEESQSA-N 0 1 558.226 5.261 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC ZINC000409193352 1072825134 /nfs/dbraw/zinc/82/51/34/1072825134.db2.gz JLPKWXXZFYRGSY-LFVJCYFKSA-N 0 1 594.020 5.677 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccc(Cl)cc4)c3)C2=O)cc1OCC ZINC000409196370 1072832127 /nfs/dbraw/zinc/83/21/27/1072832127.db2.gz ZTHXQMZHDOLYGT-XYGWBWBKSA-N 0 1 549.023 5.769 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)c(Cl)c3)C2=O)cc1OCC ZINC000409195975 1072834541 /nfs/dbraw/zinc/83/45/41/1072834541.db2.gz XTOSPTHFNSQCAD-OEAKJJBVSA-N 0 1 583.468 6.422 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4cccc(Cl)c4)c(OC)c3)C2=O)cc1OCC ZINC000409195497 1072836633 /nfs/dbraw/zinc/83/66/33/1072836633.db2.gz VTQFNHSTOMWLGK-YDZHTSKRSA-N 0 1 613.494 6.431 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)cc(Cl)c3OS(=O)(=O)c3ccc(C)cc3)C2=O)cc1OCC ZINC000409192934 1072852260 /nfs/dbraw/zinc/85/22/60/1072852260.db2.gz HIUQRFOCSVEJKV-HZHRSRAPSA-N 0 1 647.533 5.919 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4)c(OC)c3)C2=O)cc1OCC ZINC000409192971 1072852293 /nfs/dbraw/zinc/85/22/93/1072852293.db2.gz GSERRSIUKMAFMO-LFVJCYFKSA-N 0 1 544.604 5.124 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(Cl)c4)c(Cl)c3)C2=O)cc1OCC ZINC000409192596 1072855838 /nfs/dbraw/zinc/85/58/38/1072855838.db2.gz CSJCJNLNLOBKKC-OEAKJJBVSA-N 0 1 583.468 6.422 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCc3ccc(C)cc3)C2=O)cc1OCC ZINC000409191876 1072859590 /nfs/dbraw/zinc/85/95/90/1072859590.db2.gz PIUJFRMTUZKOOJ-KOEQRZSOSA-N 0 1 607.501 6.186 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc1OCC ZINC000409191641 1072860832 /nfs/dbraw/zinc/86/08/32/1072860832.db2.gz JXOMIHBZBIODHD-PCLIKHOPSA-N 0 1 593.474 5.878 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4cccc5ccccc54)c(Cl)c3)C2=O)cc1OCC ZINC000409191645 1072860935 /nfs/dbraw/zinc/86/09/35/1072860935.db2.gz JZXUTYOWMYINBJ-CVKSISIWSA-N 0 1 633.528 7.575 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Br)cc(Br)c3OCc3cccc4ccccc43)C2=O)cc1OCC ZINC000409191531 1072862014 /nfs/dbraw/zinc/86/20/14/1072862014.db2.gz YKJVJBMIDDAFAU-WPWMEQJKSA-N 0 1 722.430 7.793 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc(C)cc4)c(OC)c3)C2=O)cc1OCC ZINC000409190772 1072867195 /nfs/dbraw/zinc/86/71/95/1072867195.db2.gz QSDPNKSVDCJQGZ-ZVHZXABRSA-N 0 1 593.076 6.086 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C)cc4)c(OC)c3)C2=O)cc1OCC ZINC000409190882 1072867719 /nfs/dbraw/zinc/86/77/19/1072867719.db2.gz AKXLBSCBNQMSKB-PCLIKHOPSA-N 0 1 558.631 5.432 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4)c(OCC)c3)C2=O)cc1OCC ZINC000409190717 1072868054 /nfs/dbraw/zinc/86/80/54/1072868054.db2.gz QAVFIDWIAPYMCZ-KOEQRZSOSA-N 0 1 558.631 5.514 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)cc(Cl)c3OCC)C2=O)cc1OCC ZINC000409190149 1072872800 /nfs/dbraw/zinc/87/28/00/1072872800.db2.gz LNRHPBFWWFJEHP-LDADJPATSA-N 0 1 521.397 5.242 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(Br)c3)C2=O)cc1OCC ZINC000409188654 1072881914 /nfs/dbraw/zinc/88/19/14/1072881914.db2.gz JEPVPMVSLIKNOR-WSDLNYQXSA-N 0 1 662.364 7.184 40 10 KKCBMN CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(Br)cc4C)C3=O)c2C)cc1 ZINC000409188424 1072882379 /nfs/dbraw/zinc/88/23/79/1072882379.db2.gz ZASJLRLFWQFAOA-HYARGMPZSA-N 0 1 538.467 5.395 40 10 KKCBMN COC(=O)c1c(C)c(C)sc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c1C ZINC000409201807 1072916469 /nfs/dbraw/zinc/91/64/69/1072916469.db2.gz YHXPHEOPPMVQFY-YBFXNURJSA-N 0 1 572.506 5.153 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Br)c(Cl)c4)o3)C(=O)NC2=S)cc1Cl ZINC000409223863 1072986300 /nfs/dbraw/zinc/98/63/00/1072986300.db2.gz GCZAWRIAJHTWHO-XNTDXEJSSA-N 0 1 536.234 6.156 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1cccc(Cl)c1 ZINC000409221983 1072994962 /nfs/dbraw/zinc/99/49/62/1072994962.db2.gz AKTJYGUPEWHENJ-KEBDBYFISA-N 0 1 503.933 5.598 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1cccc(Br)c1 ZINC000409230089 1073016650 /nfs/dbraw/zinc/01/66/50/1073016650.db2.gz BICOTHVMEGURCU-WOJGMQOQSA-N 0 1 514.832 5.341 40 10 KKCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000409237079 1073034154 /nfs/dbraw/zinc/03/41/54/1073034154.db2.gz VVRXEUSDNYHQNX-WSDLNYQXSA-N 0 1 539.966 6.193 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000409235082 1073046979 /nfs/dbraw/zinc/04/69/79/1073046979.db2.gz AVTXOLBYJWEGQG-GIJQJNRQSA-N 0 1 582.829 6.360 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc(Br)c1OC(C)C ZINC000409232387 1073060779 /nfs/dbraw/zinc/06/07/79/1073060779.db2.gz OOHAKVFYGBWBED-YBFXNURJSA-N 0 1 531.472 5.590 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409230215 1073071018 /nfs/dbraw/zinc/07/10/18/1073071018.db2.gz XOJYLPOYHVYDAG-CVKSISIWSA-N 0 1 603.125 6.947 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000409245895 1073081697 /nfs/dbraw/zinc/08/16/97/1073081697.db2.gz ANLOYIMGGKPTET-GIJQJNRQSA-N 0 1 518.853 6.194 40 10 KKCBMN Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Br)c4)C3=O)cc2)cc1 ZINC000409242013 1073098276 /nfs/dbraw/zinc/09/82/76/1073098276.db2.gz PQLQHRNYNAENNS-FYJGNVAPSA-N 0 1 509.450 5.740 40 10 KKCBMN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(Cl)c4)C3=O)c2C)c1 ZINC000409240597 1073107254 /nfs/dbraw/zinc/10/72/54/1073107254.db2.gz HCJYDNUGVAXNSY-LPYMAVHISA-N 0 1 522.026 5.064 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OC(C)C ZINC000409250521 1073134834 /nfs/dbraw/zinc/13/48/34/1073134834.db2.gz MRRRNITVNIICQJ-VIZOYTHASA-N 0 1 523.836 5.038 40 10 KKCBMN Cc1ccc(C)c(NC(=O)COc2c(Br)cc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2Br)c1 ZINC000409252940 1073183528 /nfs/dbraw/zinc/18/35/28/1073183528.db2.gz VIPNPIACJPDRIR-ODLFYWEKSA-N 0 1 643.357 5.677 40 10 KKCBMN Cc1ccccc1NC(=O)COc1c(Br)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Br ZINC000409258760 1073244261 /nfs/dbraw/zinc/24/42/61/1073244261.db2.gz VWOYNXVLWSKQEH-WQRHYEAKSA-N 0 1 629.330 5.369 40 10 KKCBMN 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CCOc1cccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)C(=O)NC2=S)c1 ZINC000009010271 553199728 /nfs/dbraw/zinc/19/97/28/553199728.db2.gz LAKJLPQLCCQXQF-VEILYXNESA-N 0 1 521.642 5.991 40 10 KKCBMN CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1[O-] ZINC000011867631 553348082 /nfs/dbraw/zinc/34/80/82/553348082.db2.gz XJUAUFBIRJPXFZ-PKOBYXMFSA-N 0 1 525.630 5.119 40 10 KKCBMN COc1cc2c(c(Oc3c([O-])c4c(cc3OC)CC[N@H+](C)[C@@H]4CC(C)C)c1O)[C@H](CC(C)C)N(C)CC2 ZINC000013407286 553459122 /nfs/dbraw/zinc/45/91/22/553459122.db2.gz IPLGVBFSYLBXEF-YADHBBJMSA-N 0 1 512.691 6.058 40 10 KKCBMN COc1cc2c(c(Oc3c([O-])c4c(cc3OC)CC[N@@H+](C)[C@@H]4CC(C)C)c1O)[C@H](CC(C)C)N(C)CC2 ZINC000013407286 553459123 /nfs/dbraw/zinc/45/91/23/553459123.db2.gz IPLGVBFSYLBXEF-YADHBBJMSA-N 0 1 512.691 6.058 40 10 KKCBMN CC(=Cc1ccccc1)C=C1SC(=S)N([C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)C1=O ZINC000016805951 553583212 /nfs/dbraw/zinc/58/32/12/553583212.db2.gz CNUHCXOHLXJVNY-VKOYHLHUSA-N 0 1 502.539 5.185 40 10 KKCBMN CC(=Cc1ccccc1)C=C1SC(=S)N(C2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)C1=O ZINC000016805951 553583213 /nfs/dbraw/zinc/58/32/13/553583213.db2.gz CNUHCXOHLXJVNY-VKOYHLHUSA-N 0 1 502.539 5.185 40 10 KKCBMN Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000096477466 553754880 /nfs/dbraw/zinc/75/48/80/553754880.db2.gz YONYAKFJDIBAGD-DEDYPNTBSA-N 0 1 512.462 7.196 40 10 KKCBMN CC[C@H](C)c1ccc(OCCOc2c(Br)cc(/C=C3\C(=O)NN(c4ccccc4)C3=O)cc2OC)cc1 ZINC000097959171 553861373 /nfs/dbraw/zinc/86/13/73/553861373.db2.gz FMIRIXVQBDZLDN-JWGRYVKWSA-N 0 1 565.464 5.890 40 10 KKCBMN Cc1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(Br)c2ccccc21 ZINC000033352799 553922470 /nfs/dbraw/zinc/92/24/70/553922470.db2.gz PRJBBEZMBJBDMA-PXLXIMEGSA-N 0 1 520.427 6.645 40 10 KKCBMN CC[C@H](C)c1ccccc1OCCCn1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21 ZINC000033390266 553958123 /nfs/dbraw/zinc/95/81/23/553958123.db2.gz XNTSPDSEYLAPTF-AFDYPQSWSA-N 0 1 525.605 6.719 40 10 KKCBMN 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Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000101737444 554833936 /nfs/dbraw/zinc/83/39/36/554833936.db2.gz LTFNMBWHTVHMBT-HAVVHWLPSA-N 0 1 598.725 6.257 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000101743514 554834246 /nfs/dbraw/zinc/83/42/46/554834246.db2.gz BDEYDYFQHWWUAC-HYARGMPZSA-N 0 1 557.563 5.160 40 10 KKCBMN CCCc1ccc(C(=O)[C@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccc(OC)cc4C=C[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103332892 555360111 /nfs/dbraw/zinc/36/01/11/555360111.db2.gz LGZVEMJNEFQJAH-CBTPHDETSA-N 0 1 548.683 6.236 40 10 KKCBMN C/C=C/c1cc(/C=C2/C(=O)NC(=S)N(c3cccc(OCC)c3)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000103776200 555475784 /nfs/dbraw/zinc/47/57/84/555475784.db2.gz DNCAXCPIUDTTKP-YSKODHNCSA-N 0 1 542.657 5.927 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C(=O)NC2=S)cc1 ZINC000103776471 555475802 /nfs/dbraw/zinc/47/58/02/555475802.db2.gz QAOCYTKYDXTUTD-FYJGNVAPSA-N 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Cc1cc(C)cc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc(Br)cc4)c3-c3ccccc3)C(=O)NC2=S)c1 ZINC000409009637 1070387210 /nfs/dbraw/zinc/38/72/10/1070387210.db2.gz HEQRBDSLHOPIGX-COEJQBHMSA-N 0 1 632.583 8.022 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(Br)cc1F ZINC000409021236 1070398072 /nfs/dbraw/zinc/39/80/72/1070398072.db2.gz ZIPDOANVLQVWCC-RGVLZGJSSA-N 0 1 526.431 5.444 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000409019718 1070403018 /nfs/dbraw/zinc/40/30/18/1070403018.db2.gz WXPGSBTXGLIUPN-GIJQJNRQSA-N 0 1 532.822 5.480 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc(Cl)cc4)c3-c3ccccc3)C(=O)NC2=S)c(C)c1 ZINC000409125738 1070553811 /nfs/dbraw/zinc/55/38/11/1070553811.db2.gz KBSHACIAFOULME-BRPDVVIDSA-N 0 1 588.132 7.913 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409140316 1070563833 /nfs/dbraw/zinc/56/38/33/1070563833.db2.gz DNIZLOOZVDIADO-OGLMXYFKSA-N 0 1 570.114 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706.815 7.294 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000409236560 1070652689 /nfs/dbraw/zinc/65/26/89/1070652689.db2.gz SUMPSSNNCTWLJT-PDGQHHTCSA-N 0 1 575.859 5.492 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1Br ZINC000408880821 1070785853 /nfs/dbraw/zinc/78/58/53/1070785853.db2.gz KZFKURGCQXBASU-UNOMPAQXSA-N 0 1 571.880 5.912 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccccc1F ZINC000408878662 1070799537 /nfs/dbraw/zinc/79/95/37/1070799537.db2.gz CPTLOQLGWIIHMH-UNOMPAQXSA-N 0 1 602.425 5.239 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1cccc(Cl)c1 ZINC000408877802 1070805347 /nfs/dbraw/zinc/80/53/47/1070805347.db2.gz UQOHGKJIIYZEOB-NDENLUEZSA-N 0 1 618.880 5.754 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1Br ZINC000408894986 1070849447 /nfs/dbraw/zinc/84/94/47/1070849447.db2.gz LKCNNXVCKSXJHN-UNOMPAQXSA-N 0 1 616.331 6.021 40 10 KKCBMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Br)cc1 ZINC000409372631 1070896289 /nfs/dbraw/zinc/89/62/89/1070896289.db2.gz FQTVZRNNUHQVKI-YBFXNURJSA-N 0 1 560.198 5.046 40 10 KKCBMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc2ccccc21 ZINC000409374715 1070898130 /nfs/dbraw/zinc/89/81/30/1070898130.db2.gz XIOWNVVALPEWRI-OEAKJJBVSA-N 0 1 531.362 5.436 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(OCc5ccccc5Cl)cc4)c3C)C(=O)NC2=S)cc1 ZINC000409377645 1070903787 /nfs/dbraw/zinc/90/37/87/1070903787.db2.gz JQHYCTZLDNDRAJ-MTDXEUNCSA-N 0 1 570.114 6.720 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OCc4ccccc4F)cc3Br)C(=O)NC2=S)cc1 ZINC000409387310 1070908866 /nfs/dbraw/zinc/90/88/66/1070908866.db2.gz PRNZXLLHKBJHDI-UDWIEESQSA-N 0 1 569.452 5.570 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCc1cccc(C)c1 ZINC000409388038 1070910357 /nfs/dbraw/zinc/91/03/57/1070910357.db2.gz SWRWOOVRTMMNAP-LFVJCYFKSA-N 0 1 500.620 5.366 40 10 KKCBMN COc1cc(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc(Cl)cc1 ZINC000409409778 1070919450 /nfs/dbraw/zinc/91/94/50/1070919450.db2.gz WZDANEGMEYFKNH-NDENLUEZSA-N 0 1 513.775 5.152 40 10 KKCBMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1cn(Cc2ccc3ccccc3c2)c2ccccc12 ZINC000408916975 1070996681 /nfs/dbraw/zinc/99/66/81/1070996681.db2.gz JVXKNVHGYYJQMH-QQXSKIMKSA-N 0 1 505.574 5.813 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000408916455 1071000180 /nfs/dbraw/zinc/00/01/80/1071000180.db2.gz COSAUCGSTODOQI-XYGWBWBKSA-N 0 1 526.589 5.788 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000408917476 1071146530 /nfs/dbraw/zinc/14/65/30/1071146530.db2.gz VGFHGDFETBCAOG-JAIQZWGSSA-N 0 1 510.974 5.206 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000408917402 1071149137 /nfs/dbraw/zinc/14/91/37/1071149137.db2.gz TVLCOMWERPAZHM-QRVIBDJDSA-N 0 1 591.458 6.160 40 10 KKCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408695440 1071384583 /nfs/dbraw/zinc/38/45/83/1071384583.db2.gz UWFQCSVWAOAPTE-GZTJUZNOSA-N 0 1 538.225 5.739 40 10 KKCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000408694759 1071387049 /nfs/dbraw/zinc/38/70/49/1071387049.db2.gz MJZDDPDUUXESFY-VCHYOVAHSA-N 0 1 538.225 5.739 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408694590 1071387864 /nfs/dbraw/zinc/38/78/64/1071387864.db2.gz KGNPSNZHHVCBOK-OEAKJJBVSA-N 0 1 563.448 5.984 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1ccc(I)cc1 ZINC000408692936 1071392304 /nfs/dbraw/zinc/39/23/04/1071392304.db2.gz YVQDEBYTBSZMIJ-YBFXNURJSA-N 0 1 639.284 5.436 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCc1ccc2ccccc2c1 ZINC000408692745 1071393174 /nfs/dbraw/zinc/39/31/74/1071393174.db2.gz UGOSEZSWNCJBBN-LPYMAVHISA-N 0 1 504.970 5.485 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408692539 1071394808 /nfs/dbraw/zinc/39/48/08/1071394808.db2.gz OUGZBKKIZXWDJQ-CAOOACKPSA-N 0 1 568.251 5.748 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000408692434 1071395399 /nfs/dbraw/zinc/39/53/99/1071395399.db2.gz MHUUUBUMJUCAQE-CAOOACKPSA-N 0 1 568.251 5.748 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCc1ccc(I)cc1 ZINC000408692189 1071395474 /nfs/dbraw/zinc/39/54/74/1071395474.db2.gz GSLVCUXLBONXMH-YBFXNURJSA-N 0 1 594.833 5.327 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000408966490 1071409496 /nfs/dbraw/zinc/40/94/96/1071409496.db2.gz MWYMTFWQAGRSCA-WSDLNYQXSA-N 0 1 592.008 5.813 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4cccc5cccnc54)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1 ZINC000408987182 1071483108 /nfs/dbraw/zinc/48/31/08/1071483108.db2.gz ASMPCAMPCGVSCC-XSFVSMFZSA-N 0 1 526.599 5.434 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408723600 1071527548 /nfs/dbraw/zinc/52/75/48/1071527548.db2.gz XPSLMEVRAIBGFH-FRKPEAEDSA-N 0 1 633.820 5.551 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1OCC ZINC000408722580 1071532834 /nfs/dbraw/zinc/53/28/34/1071532834.db2.gz LDZDJORACNKVSY-NTUHNPAUSA-N 0 1 544.254 5.385 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408721992 1071535935 /nfs/dbraw/zinc/53/59/35/1071535935.db2.gz BZNWYYYZQTWXKD-CAOOACKPSA-N 0 1 694.847 5.783 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408994978 1071554775 /nfs/dbraw/zinc/55/47/75/1071554775.db2.gz KDMPBOSAMMQBGW-VGOFMYFVSA-N 0 1 740.084 8.244 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(SCC(=O)Nc4ccc5ccccc5c4)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1Cl ZINC000408992840 1071570012 /nfs/dbraw/zinc/57/00/12/1071570012.db2.gz TUUFEVLCUBNXFF-FSJBWODESA-N 0 1 617.108 6.272 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)C(=O)NC2=S)c(C)c1 ZINC000408992044 1071574708 /nfs/dbraw/zinc/57/47/08/1071574708.db2.gz QGESIBYXWLYOFU-LFIBNONCSA-N 0 1 536.616 5.397 40 10 KKCBMN Cc1cccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(NC(=O)c6ccccc6Cl)cc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)c1 ZINC000408989141 1071598352 /nfs/dbraw/zinc/59/83/52/1071598352.db2.gz HCRFKJHWFGNGIA-HYARGMPZSA-N 0 1 686.196 7.401 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000408739800 1071601538 /nfs/dbraw/zinc/60/15/38/1071601538.db2.gz APDFUQSQIDCMHX-UDWIEESQSA-N 0 1 584.435 5.019 40 10 KKCBMN CCOc1ccc2nc(Sc3ccc(/C=C4\C(=O)NC(=S)N(c5ccccc5)C4=O)o3)sc2c1 ZINC000408987971 1071608758 /nfs/dbraw/zinc/60/87/58/1071608758.db2.gz CFDPQXMFWCYNEL-SFQUDFHCSA-N 0 1 507.618 5.271 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408742367 1071621743 /nfs/dbraw/zinc/62/17/43/1071621743.db2.gz QTMSFZQIFIBFEC-YDZHTSKRSA-N 0 1 713.391 6.934 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408742758 1071620019 /nfs/dbraw/zinc/62/00/19/1071620019.db2.gz SQGSNAUDBOTIAM-VCHYOVAHSA-N 0 1 697.776 6.434 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(-c2ccc(Br)cc2)o1 ZINC000408742921 1071620149 /nfs/dbraw/zinc/62/01/49/1071620149.db2.gz UEAJCTJQKIUTFC-BOPFTXTBSA-N 0 1 532.213 5.303 40 10 KKCBMN CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)NC(=S)N(c4ccc(Br)cc4C)C3=O)c2-c2ccccc2)cc1 ZINC000408742790 1071620651 /nfs/dbraw/zinc/62/06/51/1071620651.db2.gz SUEXZENFDRDMFS-OFWBYEQRSA-N 0 1 690.619 7.890 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000408742481 1071621177 /nfs/dbraw/zinc/62/11/77/1071621177.db2.gz RFJNVKMQLUHTFK-WSDLNYQXSA-N 0 1 508.441 5.305 40 10 KKCBMN Cc1cc(Br)ccc1N1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)NC1=S ZINC000408740857 1071628374 /nfs/dbraw/zinc/62/83/74/1071628374.db2.gz IRVIOWVPILCCBS-GDNBJRDFSA-N 0 1 536.234 6.156 40 10 KKCBMN CCOc1cccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccccc4)c(Br)c3)C(=O)NC2=S)c1 ZINC000408741360 1071625099 /nfs/dbraw/zinc/62/50/99/1071625099.db2.gz PJFWUKKUTOOSTH-RGVLZGJSSA-N 0 1 616.331 6.021 40 10 KKCBMN CCOc1cccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccccc4)c(OCC)c3)C(=O)NC2=S)c1 ZINC000408740874 1071628572 /nfs/dbraw/zinc/62/85/72/1071628572.db2.gz IUMHOKBDRGOSSO-LPYMAVHISA-N 0 1 581.488 5.657 40 10 KKCBMN CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4)C3=O)c1C)CCCC2 ZINC000408740571 1071629671 /nfs/dbraw/zinc/62/96/71/1071629671.db2.gz CESKVKRYWIDCCF-PXLXIMEGSA-N 0 1 547.702 5.351 40 10 KKCBMN CC(C)(C)OC(=O)N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000409001568 1071644456 /nfs/dbraw/zinc/64/44/56/1071644456.db2.gz JCYBTNDHVKXPIS-UGOBPDKASA-N 0 1 712.326 7.091 40 10 KKCBMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)s1 ZINC000409017185 1071704145 /nfs/dbraw/zinc/70/41/45/1071704145.db2.gz XLMDYSQAHDKXEP-GZTJUZNOSA-N 0 1 535.897 6.147 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1cccc(Cl)c1 ZINC000408764762 1071726921 /nfs/dbraw/zinc/72/69/21/1071726921.db2.gz YFVNSURGGUWROB-LICLKQGHSA-N 0 1 504.826 5.886 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409018650 1071731696 /nfs/dbraw/zinc/73/16/96/1071731696.db2.gz HYFMPNOXGQIYGD-STBIYBPSSA-N 0 1 570.114 6.775 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408763144 1071733268 /nfs/dbraw/zinc/73/32/68/1071733268.db2.gz RLIIXMBSUMCJBA-MYYYXRDXSA-N 0 1 664.521 6.262 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000408776067 1071752002 /nfs/dbraw/zinc/75/20/02/1071752002.db2.gz MWTNGRYPCSWWQB-VCHYOVAHSA-N 0 1 596.277 5.837 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Br)cc4Br)c(OC)c3)C(=O)NC2=S)cc1 ZINC000408774947 1071757429 /nfs/dbraw/zinc/75/74/29/1071757429.db2.gz DQBFPNFBYNTTMT-CIAFOILYSA-N 0 1 630.358 6.193 40 10 KKCBMN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(I)cc4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000408773087 1071769973 /nfs/dbraw/zinc/76/99/73/1071769973.db2.gz GCFSIQQRCIXRKZ-HYARGMPZSA-N 0 1 614.461 5.109 40 10 KKCBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3cn(CCSc4ccc(Cl)cc4)c4ccccc34)C(=O)NC2=S)c1 ZINC000408772939 1071770514 /nfs/dbraw/zinc/77/05/14/1071770514.db2.gz OCXNNUQTCXPGMJ-PCLIKHOPSA-N 0 1 546.117 6.535 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Cl)c3)C(=O)NC2=S)cc1 ZINC000408771460 1071779984 /nfs/dbraw/zinc/77/99/84/1071779984.db2.gz GPAKYOCLECZUCL-WOJGMQOQSA-N 0 1 575.952 6.453 40 10 KKCBMN CCc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(I)cc3)c2C)C(=O)NC1=S ZINC000408767823 1071805681 /nfs/dbraw/zinc/80/56/81/1071805681.db2.gz PEXRNWFBJBDLGZ-KGENOOAVSA-N 0 1 555.441 5.092 40 10 KKCBMN CCc1ccccc1N1C(=O)/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)C(=O)NC1=S ZINC000408767844 1071805777 /nfs/dbraw/zinc/80/57/77/1071805777.db2.gz PTNUSQCQOWJVFG-GZTJUZNOSA-N 0 1 575.952 6.453 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408779802 1071827558 /nfs/dbraw/zinc/82/75/58/1071827558.db2.gz KUYLEIYZBHADEG-ZVHZXABRSA-N 0 1 662.478 6.297 40 10 KKCBMN COC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)c1C)CCCC2 ZINC000408785735 1071855266 /nfs/dbraw/zinc/85/52/66/1071855266.db2.gz BJDXPMMDQCTLPA-KGENOOAVSA-N 0 1 547.702 5.269 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(-c2ccccc2)n1-c1ccccc1 ZINC000408784635 1071863440 /nfs/dbraw/zinc/86/34/40/1071863440.db2.gz VKBJTYMFVXJAHH-JJIBRWJFSA-N 0 1 542.458 6.047 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000408791053 1071892299 /nfs/dbraw/zinc/89/22/99/1071892299.db2.gz VHWOXXSDTBFNCA-SRZZPIQSSA-N 0 1 630.358 6.247 40 10 KKCBMN Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(-c3ccc(Br)c(Cl)c3)o2)C(=O)NC1=S ZINC000409097217 1072229695 /nfs/dbraw/zinc/22/96/95/1072229695.db2.gz LUAGSQGLUGRELV-GXDHUFHOSA-N 0 1 536.234 6.156 40 10 KKCBMN COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409326897 1072244033 /nfs/dbraw/zinc/24/40/33/1072244033.db2.gz GDKDPFKGPUEDNT-YBFXNURJSA-N 0 1 642.949 6.140 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc(Cl)cc4)c3-c3ccccc3)C(=O)NC2=S)c(OC)c1 ZINC000409094442 1072246368 /nfs/dbraw/zinc/24/63/68/1072246368.db2.gz DEIZZGNILLTRIJ-USHMODERSA-N 0 1 620.130 7.313 40 10 KKCBMN CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(OC)cc4OC)C3=O)c1C)CCCC2 ZINC000409098026 1072335056 /nfs/dbraw/zinc/33/50/56/1072335056.db2.gz PEAHRAKAFOEFTK-KGENOOAVSA-N 0 1 593.727 5.060 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000409097334 1072337816 /nfs/dbraw/zinc/33/78/16/1072337816.db2.gz LZKBICCWSRTCCJ-UNOMPAQXSA-N 0 1 589.886 5.800 40 10 KKCBMN 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510.575 5.046 40 10 KKCBMN COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409338553 1072484054 /nfs/dbraw/zinc/48/40/54/1072484054.db2.gz LWQYAOBIFVOKJM-UDWIEESQSA-N 0 1 517.053 5.535 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)C(=O)NC2=S)c(C)c1 ZINC000409133355 1072500644 /nfs/dbraw/zinc/50/06/44/1072500644.db2.gz SOZJEONUSCEDPJ-BRPDVVIDSA-N 0 1 598.684 7.168 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(Cl)cc3)C2=O)cc1OC ZINC000409131659 1072507957 /nfs/dbraw/zinc/50/79/57/1072507957.db2.gz WIVQOCDEDKHNPW-HZHRSRAPSA-N 0 1 569.441 6.032 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)cc(Br)c3OS(=O)(=O)c3ccccc3)C2=O)cc1OC ZINC000409131630 1072508026 /nfs/dbraw/zinc/50/80/26/1072508026.db2.gz JCDYMVDWKNVDPA-KGENOOAVSA-N 0 1 708.381 5.439 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3cccc4ccccc43)C2=O)cc1OC ZINC000409131324 1072509461 /nfs/dbraw/zinc/50/94/61/1072509461.db2.gz IGBSOPZMWKQHKH-OVVQPSECSA-N 0 1 585.056 6.532 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000409128482 1072525648 /nfs/dbraw/zinc/52/56/48/1072525648.db2.gz OZFGCGMKWHVUBA-OGLMXYFKSA-N 0 1 553.659 6.260 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Br)cc(Br)c3OCc3ccc(C)cc3)C2=O)cc1OC ZINC000409141838 1072550616 /nfs/dbraw/zinc/55/06/16/1072550616.db2.gz WXTBKNYKBYMSOV-OEAKJJBVSA-N 0 1 672.370 6.558 40 10 KKCBMN COc1cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000409349096 1072552886 /nfs/dbraw/zinc/55/28/86/1072552886.db2.gz UMPFRVLNNYIPAE-NDENLUEZSA-N 0 1 561.504 5.644 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1cccc(Br)c1 ZINC000409140867 1072556794 /nfs/dbraw/zinc/55/67/94/1072556794.db2.gz SYEKBROSNNFEED-CIAFOILYSA-N 0 1 508.441 5.305 40 10 KKCBMN O=C(NN1C(=O)/C(=C\c2cc(I)cc(I)c2OCc2ccccc2)SC1=S)c1cccs1 ZINC000409347591 1072562300 /nfs/dbraw/zinc/56/23/00/1072562300.db2.gz QHNJGOQTVDWXEI-VCHYOVAHSA-N 0 1 704.374 6.083 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(F)c4)c(Cl)c3)C2=O)cc1OC ZINC000409139392 1072565262 /nfs/dbraw/zinc/56/52/62/1072565262.db2.gz NHEZXRBYJPJMSA-LPYMAVHISA-N 0 1 552.986 5.518 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4F)c(Br)c3)C2=O)cc1OC ZINC000409139000 1072567672 /nfs/dbraw/zinc/56/76/72/1072567672.db2.gz KYAFFXSIDQEPSE-FYJGNVAPSA-N 0 1 597.437 5.627 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccccc4F)c(Br)c3)C2=O)cc1OC ZINC000409146651 1072579136 /nfs/dbraw/zinc/57/91/36/1072579136.db2.gz VHJZIBBJNMDPOX-RGVLZGJSSA-N 0 1 676.333 6.389 40 10 KKCBMN O=C(NN1C(=O)/C(=C\c2cc(I)c(O)c(I)c2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000409145811 1072585036 /nfs/dbraw/zinc/58/50/36/1072585036.db2.gz PYCUPJYPZHRFMN-OMCISZLKSA-N 0 1 666.344 5.050 40 10 KKCBMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 ZINC000409373551 1072624209 /nfs/dbraw/zinc/62/42/09/1072624209.db2.gz USWSCYSXCCBAPY-IMRQLAEWSA-N 0 1 547.998 6.720 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409376450 1072629001 /nfs/dbraw/zinc/62/90/01/1072629001.db2.gz YCXNVTUHRBVMQF-KEBDBYFISA-N 0 1 667.352 6.579 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000409373905 1072640502 /nfs/dbraw/zinc/64/05/02/1072640502.db2.gz ISPHGYFFQQUWDZ-VXLYETTFSA-N 0 1 559.800 5.335 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000409374050 1072640572 /nfs/dbraw/zinc/64/05/72/1072640572.db2.gz YFLUWRARSQEZLI-LZYBPNLTSA-N 0 1 580.218 5.599 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409373917 1072640600 /nfs/dbraw/zinc/64/06/00/1072640600.db2.gz ISYQDMALCAZHEH-YDZHTSKRSA-N 0 1 530.964 5.726 40 10 KKCBMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1 ZINC000409373003 1072643504 /nfs/dbraw/zinc/64/35/04/1072643504.db2.gz PBZKULNXJPYCHI-LZYBPNLTSA-N 0 1 597.192 5.432 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409372588 1072645041 /nfs/dbraw/zinc/64/50/41/1072645041.db2.gz MFKZIRNDFRKLFY-GIJQJNRQSA-N 0 1 590.224 5.054 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409371713 1072648342 /nfs/dbraw/zinc/64/83/42/1072648342.db2.gz GMMGGCPBEXFZGW-FRKPEAEDSA-N 0 1 580.218 5.599 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409379109 1072671462 /nfs/dbraw/zinc/67/14/62/1072671462.db2.gz UHMLXKVYSHABQU-CIAFOILYSA-N 0 1 596.459 5.339 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3cccc([N+](=O)[O-])c3)C(=O)NC2=S)cc1 ZINC000409378943 1072672076 /nfs/dbraw/zinc/67/20/76/1072672076.db2.gz SREKAURWPVOBMG-HYARGMPZSA-N 0 1 566.433 5.330 40 10 KKCBMN CC[C@@H](C)Oc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc1OC ZINC000409378958 1072672131 /nfs/dbraw/zinc/67/21/31/1072672131.db2.gz SVFQZHSPTSYNIQ-BPKVKKHESA-N 0 1 537.863 5.428 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCc4ccc(Br)cc4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409378180 1072677739 /nfs/dbraw/zinc/67/77/39/1072677739.db2.gz NISSJOCTHHHTFP-CIAFOILYSA-N 0 1 585.907 6.084 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCc4ccccc4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409377683 1072678873 /nfs/dbraw/zinc/67/88/73/1072678873.db2.gz KJWMRWARJUBCJG-FYJGNVAPSA-N 0 1 507.011 5.321 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000409386555 1072685680 /nfs/dbraw/zinc/68/56/80/1072685680.db2.gz MTELVPXDLZUKKK-FYJGNVAPSA-N 0 1 555.483 6.365 40 10 KKCBMN COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4Cl)cc3)c2C)C(=O)NC1=S ZINC000409166781 1072702871 /nfs/dbraw/zinc/70/28/71/1072702871.db2.gz GRLBXKXLAVPVJQ-KOEQRZSOSA-N 0 1 572.086 6.166 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409382669 1072706124 /nfs/dbraw/zinc/70/61/24/1072706124.db2.gz NDEGDEHQOXTXFR-LPYMAVHISA-N 0 1 644.385 6.583 40 10 KKCBMN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)C(=O)NC1=S ZINC000409382170 1072708031 /nfs/dbraw/zinc/70/80/31/1072708031.db2.gz YSEGZGQVWNPXBH-GZTJUZNOSA-N 0 1 602.869 5.399 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)C(=O)NC2=S)cc1 ZINC000409382189 1072708093 /nfs/dbraw/zinc/70/80/93/1072708093.db2.gz PUJMQFFUHIIZBY-HYARGMPZSA-N 0 1 534.468 6.390 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCc4ccccc4Cl)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409389328 1072732940 /nfs/dbraw/zinc/73/29/40/1072732940.db2.gz XYSKDYBJERODFU-UDWIEESQSA-N 0 1 541.456 5.975 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000409388644 1072736638 /nfs/dbraw/zinc/73/66/38/1072736638.db2.gz VXNTYFPWTAYBKI-FYJGNVAPSA-N 0 1 539.028 5.851 40 10 KKCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Br)cc2Br)c(I)c1 ZINC000409398375 1072752438 /nfs/dbraw/zinc/75/24/38/1072752438.db2.gz ABOFPKGFHZGCLX-ZDLGFXPLSA-N 0 1 654.096 5.857 40 10 KKCBMN COc1cc(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409407147 1072754892 /nfs/dbraw/zinc/75/48/92/1072754892.db2.gz LGBJKVNCMZZKJT-WQRHYEAKSA-N 0 1 548.220 5.805 40 10 KKCBMN COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4)cc3)c2C)C(=O)NC1=S ZINC000409167413 1072760012 /nfs/dbraw/zinc/76/00/12/1072760012.db2.gz JVROGTMLLPPJCO-YZSQISJMSA-N 0 1 572.086 6.166 40 10 KKCBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCc1ccc(Br)cc1Br ZINC000409405899 1072761300 /nfs/dbraw/zinc/76/13/00/1072761300.db2.gz ISQXVFRWWUSKLE-NVMNQCDNSA-N 0 1 684.122 5.865 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000409405409 1072762531 /nfs/dbraw/zinc/76/25/31/1072762531.db2.gz GYYSPSSNJORMBK-BKUYFWCQSA-N 0 1 554.384 5.039 40 10 KKCBMN C=C/C=C\C(=C/C)N1C(=O)C(=Cc2c(O)n(-c3ccc(C)c(C)c3)c(=S)[nH]c2=O)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186160 1072764460 /nfs/dbraw/zinc/76/44/60/1072764460.db2.gz XVSNCVFAGVZDIT-PHJYDPKESA-N 0 1 717.873 5.604 40 10 KKCBMN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)cc(I)c2O)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185494 1072769766 /nfs/dbraw/zinc/76/97/66/1072769766.db2.gz LZVHMEGJSDAKBZ-VRKORRMZSA-N 0 1 724.020 7.043 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000409409409 1072811371 /nfs/dbraw/zinc/81/13/71/1072811371.db2.gz VBTMHBCFCCTGFK-NDENLUEZSA-N 0 1 527.802 5.542 40 10 KKCBMN COc1cc(Cl)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409408928 1072813260 /nfs/dbraw/zinc/81/32/60/1072813260.db2.gz SDHSUWLFWQSHOE-WOJGMQOQSA-N 0 1 503.769 5.696 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409408135 1072816908 /nfs/dbraw/zinc/81/69/08/1072816908.db2.gz PMWJRZCUTLMOKB-NDENLUEZSA-N 0 1 574.802 5.384 40 10 KKCBMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2Br)cc1 ZINC000409187494 1072824331 /nfs/dbraw/zinc/82/43/31/1072824331.db2.gz RDJCESJZXCGCLQ-RGVLZGJSSA-N 0 1 651.174 6.384 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1OCC ZINC000409192475 1072826350 /nfs/dbraw/zinc/82/63/50/1072826350.db2.gz DDPHMYPTOQWZSR-YDZHTSKRSA-N 0 1 657.945 6.540 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OS(=O)(=O)c4ccccc4)c(Cl)c3)C2=O)cc1OCC ZINC000409195973 1072834402 /nfs/dbraw/zinc/83/44/02/1072834402.db2.gz XSTQGFUDMFZLJA-FYJGNVAPSA-N 0 1 633.506 5.611 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3c(OCc4ccc(Cl)cc4Cl)ccc4ccccc43)C2=O)cc1OCC ZINC000409195785 1072835475 /nfs/dbraw/zinc/83/54/75/1072835475.db2.gz VZEOUNOBVUMLQW-OVVQPSECSA-N 0 1 633.528 7.575 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)C2=O)cc1OCC ZINC000409195465 1072836858 /nfs/dbraw/zinc/83/68/58/1072836858.db2.gz UYWCNAVQHCMELO-OEAKJJBVSA-N 0 1 594.020 5.677 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Br)cc(Br)c3OCc3cccc(Cl)c3)C2=O)cc1OCC ZINC000409195154 1072838056 /nfs/dbraw/zinc/83/80/56/1072838056.db2.gz UDNOZDCQCGWSEP-OEAKJJBVSA-N 0 1 706.815 7.294 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccccc3Cl)C2=O)cc1OCC ZINC000409195210 1072838639 /nfs/dbraw/zinc/83/86/39/1072838639.db2.gz SGJDWNRLOCTKND-XQNSMLJCSA-N 0 1 583.468 6.422 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1OCC ZINC000409194008 1072846415 /nfs/dbraw/zinc/84/64/15/1072846415.db2.gz KGHRFKHBBXHFNH-PCLIKHOPSA-N 0 1 549.023 5.769 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OS(=O)(=O)c4ccc(C)cc4)c(Cl)c3)C2=O)cc1OCC ZINC000409194081 1072846915 /nfs/dbraw/zinc/84/69/15/1072846915.db2.gz NKXQQXCHVHYVGM-LPYMAVHISA-N 0 1 647.533 5.919 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4F)c(Br)c3)C2=O)cc1OCC ZINC000409191938 1072858295 /nfs/dbraw/zinc/85/82/95/1072858295.db2.gz QSVFFZQQBOVYBZ-HYARGMPZSA-N 0 1 611.464 6.017 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC ZINC000409192012 1072858796 /nfs/dbraw/zinc/85/87/96/1072858796.db2.gz SHVJJIOFDDJJAN-LFVJCYFKSA-N 0 1 638.471 5.786 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1OCC ZINC000409191481 1072861291 /nfs/dbraw/zinc/86/12/91/1072861291.db2.gz IKECRJPFVQDSPJ-YDZHTSKRSA-N 0 1 715.497 5.637 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1OCC ZINC000409191000 1072866328 /nfs/dbraw/zinc/86/63/28/1072866328.db2.gz YAIVAGATLZVLAS-YDZHTSKRSA-N 0 1 668.497 5.794 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccccc4Cl)c(OC)c3)C2=O)cc1OCC ZINC000409190281 1072871635 /nfs/dbraw/zinc/87/16/35/1072871635.db2.gz RILPDGHXYMZHCV-LPYMAVHISA-N 0 1 657.945 6.540 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4cccc(F)c4)c(Br)c3)C2=O)cc1OCC ZINC000409189884 1072872877 /nfs/dbraw/zinc/87/28/77/1072872877.db2.gz JXQVUHYQJODIDO-WSDLNYQXSA-N 0 1 690.360 6.779 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)C2=O)cc1OCC ZINC000409189915 1072873448 /nfs/dbraw/zinc/87/34/48/1072873448.db2.gz NMZCZATXEKYNCV-SSDVNMTOSA-N 0 1 647.939 7.084 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Cl)cc(Cl)c3OCc3ccc(Cl)cc3Cl)C2=O)cc1OCC ZINC000409189912 1072873493 /nfs/dbraw/zinc/87/34/93/1072873493.db2.gz NLXOGEBNERJDEN-WSDLNYQXSA-N 0 1 652.358 7.729 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3)C2=O)cc1OCC ZINC000409189786 1072874064 /nfs/dbraw/zinc/87/40/64/1072874064.db2.gz ITMSYMXZYJAGJC-JJIBRWJFSA-N 0 1 549.023 5.769 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)cc1OCC ZINC000409189068 1072879072 /nfs/dbraw/zinc/87/90/72/1072879072.db2.gz CLGQPKQQPBNFOF-PCLIKHOPSA-N 0 1 559.575 5.023 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Br)cc(Br)c3OCc3ccccc3)C2=O)cc1OCC ZINC000409188157 1072883576 /nfs/dbraw/zinc/88/35/76/1072883576.db2.gz BMDZXEKNWSAJHP-HZHRSRAPSA-N 0 1 672.370 6.640 40 10 KKCBMN CCOC(=O)c1cc(-c2ccc(/C=C3/SC(=S)N(NC(=O)c4cccs4)C3=O)o2)ccc1Cl ZINC000409199011 1072927408 /nfs/dbraw/zinc/92/74/08/1072927408.db2.gz GRVMJLHPDKGSSX-WOJGMQOQSA-N 0 1 519.025 5.384 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccccc1Br ZINC000409222668 1072992163 /nfs/dbraw/zinc/99/21/63/1072992163.db2.gz CUUYVYANBJXKKA-KGENOOAVSA-N 0 1 522.468 5.811 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000409221008 1073001409 /nfs/dbraw/zinc/00/14/09/1073001409.db2.gz JEWJGRVABPPGIQ-UCQKPKSFSA-N 0 1 569.468 5.653 40 10 KKCBMN Cc1ccc(C)c(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)C(=O)NC2=S)c1 ZINC000409220842 1073001963 /nfs/dbraw/zinc/00/19/63/1073001963.db2.gz GQCHNRDAVGRFEQ-BRPDVVIDSA-N 0 1 598.684 7.168 40 10 KKCBMN Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)cc2)cc1 ZINC000409220621 1073003881 /nfs/dbraw/zinc/00/38/81/1073003881.db2.gz CIWODILFVVBQIU-KGENOOAVSA-N 0 1 509.450 5.740 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409230042 1073016068 /nfs/dbraw/zinc/01/60/68/1073016068.db2.gz WOWIFUBAGLYBOF-ZVHZXABRSA-N 0 1 610.950 7.465 40 10 KKCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cn(Cc2ccccc2F)c2ccccc12 ZINC000409228577 1073025778 /nfs/dbraw/zinc/02/57/78/1073025778.db2.gz ZKOYLGUYYIXJNH-CIAFOILYSA-N 0 1 523.511 5.679 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(I)c1OC(C)C ZINC000409235876 1073041376 /nfs/dbraw/zinc/04/13/76/1073041376.db2.gz CYYNEWMSRWVEIB-LZYBPNLTSA-N 0 1 604.388 5.327 40 10 KKCBMN CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2C)cc1 ZINC000409235367 1073045227 /nfs/dbraw/zinc/04/52/27/1073045227.db2.gz PCNXFXUNPGEHAT-LPYMAVHISA-N 0 1 513.541 5.343 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000409231862 1073063845 /nfs/dbraw/zinc/06/38/45/1073063845.db2.gz NACLHYHCRZRSJD-WPWMEQJKSA-N 0 1 539.632 5.952 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(C)c([N+](=O)[O-])c1 ZINC000409231501 1073064800 /nfs/dbraw/zinc/06/48/00/1073064800.db2.gz KUPOVNFCRYZKBM-KEBDBYFISA-N 0 1 528.512 5.161 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000409231121 1073067322 /nfs/dbraw/zinc/06/73/22/1073067322.db2.gz HQBOWYBHRGNOKC-YBFXNURJSA-N 0 1 540.859 6.481 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000409246683 1073074849 /nfs/dbraw/zinc/07/48/49/1073074849.db2.gz AHMPGLNUBMSYOE-WPWMEQJKSA-N 0 1 570.114 6.775 40 10 KKCBMN CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)NC(=S)N(c4cc(C)ccc4C)C3=O)c2-c2ccccc2)cc1 ZINC000409246133 1073078891 /nfs/dbraw/zinc/07/88/91/1073078891.db2.gz FLISFQHFIOCYAY-VAMRJTSQSA-N 0 1 625.750 7.436 40 10 KKCBMN Cc1cccc(NC(=O)Cn2cc(/C=C3\C(=O)NC(=S)N(c4cc(C)ccc4C)C3=O)c3ccccc32)c1 ZINC000409245344 1073083736 /nfs/dbraw/zinc/08/37/36/1073083736.db2.gz RFXGVXSNJQMDKJ-BUVRLJJBSA-N 0 1 522.630 5.037 40 10 KKCBMN COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(C)C)cc4)C3=O)c2C)c(C)c1 ZINC000409245099 1073085317 /nfs/dbraw/zinc/08/53/17/1073085317.db2.gz NKGGVAYCFKSCJP-BUVRLJJBSA-N 0 1 515.635 5.144 40 10 KKCBMN Cc1ccccc1N1C(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)C(=O)NC1=S ZINC000409242979 1073095043 /nfs/dbraw/zinc/09/50/43/1073095043.db2.gz XFKUVMOWNUTTTK-RRAHZORUSA-N 0 1 584.657 6.859 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409241582 1073100700 /nfs/dbraw/zinc/10/07/00/1073100700.db2.gz OSMDWDWPAUHHAU-JFLMPSFJSA-N 0 1 590.532 7.120 40 10 KKCBMN Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(Br)cc4C)C3=O)cc2)cc1 ZINC000409240570 1073107268 /nfs/dbraw/zinc/10/72/68/1073107268.db2.gz QNFOLJWBQOCFLI-KGENOOAVSA-N 0 1 523.477 6.048 40 10 KKCBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(-c4ccc(Br)c(Cl)c4)o3)C(=O)NC2=S)c1 ZINC000409239218 1073115019 /nfs/dbraw/zinc/11/50/19/1073115019.db2.gz CLZANMAFPMPGBS-LFIBNONCSA-N 0 1 515.816 5.811 40 10 KKCBMN CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)NC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2-c2ccccc2)cc1 ZINC000409239084 1073115494 /nfs/dbraw/zinc/11/54/94/1073115494.db2.gz GGWWYZYNHAQIGX-COEJQBHMSA-N 0 1 665.693 7.838 40 10 KKCBMN Cc1ccc(C)c(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc(Br)cc4)c3-c3ccccc3)C(=O)NC2=S)c1 ZINC000409238857 1073117932 /nfs/dbraw/zinc/11/79/32/1073117932.db2.gz OAGSLMXAKTVGCA-BRPDVVIDSA-N 0 1 632.583 8.022 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1 ZINC000409238903 1073118432 /nfs/dbraw/zinc/11/84/32/1073118432.db2.gz MBXACFIVXXJVLC-JVWAILMASA-N 0 1 575.612 6.523 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1cccc2ccccc21 ZINC000409238329 1073121954 /nfs/dbraw/zinc/12/19/54/1073121954.db2.gz WYCYSKHXAHEYSW-OEAKJJBVSA-N 0 1 519.548 6.097 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000409256650 1073155763 /nfs/dbraw/zinc/15/57/63/1073155763.db2.gz PVWFQUJYNYJVIS-BKUYFWCQSA-N 0 1 594.487 5.005 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409262446 1073193523 /nfs/dbraw/zinc/19/35/23/1073193523.db2.gz DRWGTQHCSYKZIV-BKUYFWCQSA-N 0 1 655.514 5.156 40 10 KKCBMN Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2Br)cc1 ZINC000409265177 1073208822 /nfs/dbraw/zinc/20/88/22/1073208822.db2.gz RENLWPYLMZZYGD-ODLFYWEKSA-N 0 1 629.330 5.369 40 10 KKCBMN O=C(COc1c(Cl)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Cl)Nc1ccccc1Cl ZINC000409261877 1073224501 /nfs/dbraw/zinc/22/45/01/1073224501.db2.gz DWFHDYSZYZQUNC-YBEGLDIGSA-N 0 1 560.846 5.496 40 10 KKCBMN COc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C(C)(C)C)[C@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12 ZINC000009111075 553210377 /nfs/dbraw/zinc/21/03/77/553210377.db2.gz IZIAOPADRCMXMO-BESNRVDSSA-N 0 1 506.602 5.284 40 10 KKCBMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCCCC4)cc3)ccc2Cl)c1C ZINC000010112134 553328777 /nfs/dbraw/zinc/32/87/77/553328777.db2.gz SGTLEKYJWQAISR-UHFFFAOYSA-N 0 1 512.075 5.678 40 10 KKCBMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(Br)c(Sc2ccccc2)o1 ZINC000016491692 553566680 /nfs/dbraw/zinc/56/66/80/553566680.db2.gz QAVWEQFQSZJSRI-YBEGLDIGSA-N 0 1 503.374 5.164 40 10 KKCBMN CSc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1C(=O)N1CCCC1 ZINC000026115464 553816121 /nfs/dbraw/zinc/81/61/21/553816121.db2.gz CBPZPEOJCYNFLF-UHFFFAOYSA-N 0 1 515.056 5.330 40 10 KKCBMN COc1cc(/C=C2/C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc43)C2=O)cc([N+](=O)[O-])c1O ZINC000100296533 554288864 /nfs/dbraw/zinc/28/88/64/554288864.db2.gz LVPLYBUBWZEVGS-HMAPJEAMSA-N 0 1 523.501 5.354 40 10 KKCBMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000100392539 554367610 /nfs/dbraw/zinc/36/76/10/554367610.db2.gz KGFYIGGQZKAHKK-MHWRWJLKSA-N 0 1 522.207 5.847 40 10 KKCBMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000058849683 554369026 /nfs/dbraw/zinc/36/90/26/554369026.db2.gz RPYLDADHQKDNKF-WZOHSFFVSA-N 0 1 511.987 5.884 40 10 KKCBMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccc(Br)cc12 ZINC000059087184 554372106 /nfs/dbraw/zinc/37/21/06/554372106.db2.gz PPJNJYDPKIISKV-SRZZPIQSSA-N 0 1 504.340 5.547 40 10 KKCBMN COc1ccc(Oc2ccc(-n3c(C)cc(C=C4C(=O)NC(=O)N(C5CCCCC5)C4=O)c3C)cc2)cc1 ZINC000059109550 554380908 /nfs/dbraw/zinc/38/09/08/554380908.db2.gz LHXKYOYBYRJQIP-OVVQPSECSA-N 0 1 513.594 6.530 40 10 KKCBMN CCOc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000059136157 554382344 /nfs/dbraw/zinc/38/23/44/554382344.db2.gz KNOAYLIIEJKPSN-CPNJWEJPSA-N 0 1 510.974 6.128 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000059136418 554382552 /nfs/dbraw/zinc/38/25/52/554382552.db2.gz KUIHBASLQQNPTA-GZTJUZNOSA-N 0 1 501.366 6.383 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccccc1OCc1ccc(Br)cc1 ZINC000059136421 554382663 /nfs/dbraw/zinc/38/26/63/554382663.db2.gz LJVKTXIIIYQYPN-QGOAFFKASA-N 0 1 511.372 5.839 40 10 KKCBMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000059198528 554384982 /nfs/dbraw/zinc/38/49/82/554384982.db2.gz NVXQQZLTSSHFKA-LPYMAVHISA-N 0 1 508.441 6.145 40 10 KKCBMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000100476380 554400845 /nfs/dbraw/zinc/40/08/45/554400845.db2.gz QEXVOHVXSLUDJZ-MHWRWJLKSA-N 0 1 532.759 5.102 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4)c4ccccc34)C(=O)NC2=S)c(OC)c1 ZINC000103780739 555476335 /nfs/dbraw/zinc/47/63/35/555476335.db2.gz PGTMLHIGAHJTLZ-LPYMAVHISA-N 0 1 532.021 5.192 40 10 KKCBMN CCOc1cccc(N2C(=O)/C(=C/c3c(C)n(-c4ccc(Br)cc4)c(C)c3Br)C(=O)NC2=S)c1 ZINC000103843164 571362648 /nfs/dbraw/zinc/36/26/48/571362648.db2.gz JZWBCOUDVZGTFU-FYJGNVAPSA-N 0 1 603.336 5.849 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 ZINC000103851170 571364802 /nfs/dbraw/zinc/36/48/02/571364802.db2.gz FXFINZOGXNDXHI-XHPQRKPJSA-N 0 1 578.068 7.435 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 ZINC000103851175 571364833 /nfs/dbraw/zinc/36/48/33/571364833.db2.gz QOYLXBHKMRBNCU-XHPQRKPJSA-N 0 1 588.620 6.690 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 ZINC000103851810 571365093 /nfs/dbraw/zinc/36/50/93/571365093.db2.gz UUXOHMKDROEZFV-CXUHLZMHSA-N 0 1 519.356 5.682 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 ZINC000103851786 571365131 /nfs/dbraw/zinc/36/51/31/571365131.db2.gz WIBKKJRTJRUBBF-OQLLNIDSSA-N 0 1 535.811 6.196 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc32)c(I)c1 ZINC000103851928 571365194 /nfs/dbraw/zinc/36/51/94/571365194.db2.gz PLZUKSLPXOJPQW-KGENOOAVSA-N 0 1 608.432 5.994 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000103851998 571365313 /nfs/dbraw/zinc/36/53/13/571365313.db2.gz CBKLRIRPFHLDFU-LICLKQGHSA-N 0 1 531.392 5.551 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000103852503 571365462 /nfs/dbraw/zinc/36/54/62/571365462.db2.gz GEPDQHVURQHPMI-WOJGMQOQSA-N 0 1 545.419 5.942 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000103852616 571365466 /nfs/dbraw/zinc/36/54/66/571365466.db2.gz QFNUJJFHDWCBSZ-WOJGMQOQSA-N 0 1 573.415 5.536 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000103852512 571365502 /nfs/dbraw/zinc/36/55/02/571365502.db2.gz RNQBTUPYXJNQFD-CXUHLZMHSA-N 0 1 579.864 6.595 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(Br)cc1OCc1ccccc1Cl ZINC000103852745 571365577 /nfs/dbraw/zinc/36/55/77/571365577.db2.gz SUISOPIKWCHRBH-GZTJUZNOSA-N 0 1 589.870 6.051 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000103852790 571365620 /nfs/dbraw/zinc/36/56/20/571365620.db2.gz RAKIFNAGAPICQM-WOJGMQOQSA-N 0 1 600.422 5.305 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000103852662 571365636 /nfs/dbraw/zinc/36/56/36/571365636.db2.gz AGZJBYMOCOBVQZ-HYARGMPZSA-N 0 1 605.485 6.550 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(Br)cc1OCc1cccc(F)c1 ZINC000103852760 571365666 /nfs/dbraw/zinc/36/56/66/571365666.db2.gz CPYPRJBXJLPGSV-WOJGMQOQSA-N 0 1 573.415 5.536 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1F ZINC000103853269 571365790 /nfs/dbraw/zinc/36/57/90/571365790.db2.gz JDZFAQZZJBYBAC-SFQUDFHCSA-N 0 1 529.362 5.138 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000103853244 571365834 /nfs/dbraw/zinc/36/58/34/571365834.db2.gz VYFKCVINHBFJGE-LICLKQGHSA-N 0 1 580.262 6.305 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000103860263 571367386 /nfs/dbraw/zinc/36/73/86/571367386.db2.gz XSSBVAYBNCYPPH-ONUIUJJFSA-N 0 1 556.485 6.355 40 10 KKCBMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000103860184 571367395 /nfs/dbraw/zinc/36/73/95/571367395.db2.gz AINVEGFJXSLAHO-GDNBJRDFSA-N 0 1 532.759 5.102 40 10 KKCBMN CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)c2C)cc1 ZINC000103860359 571367462 /nfs/dbraw/zinc/36/74/62/571367462.db2.gz YSMSMGSAJIVCHC-HYARGMPZSA-N 0 1 524.440 5.087 40 10 KKCBMN S=c1n(-c2ccc(Cl)cc2)c2nc3ccccc3nc(c2=NNc2cc(Cl)ccc2Cl)n1-c1ccccn1 ZINC000103952513 571370457 /nfs/dbraw/zinc/37/04/57/571370457.db2.gz KVVCOECUGLDHHE-XAHDOWKMSA-N 0 1 576.900 8.762 40 10 KKCBMN S=c1n(-c2ccc(Cl)cc2)c2nc3ccccc3nc(c2=NNc2cc(Cl)ccc2Cl)n1-c1ccccn1 ZINC000103952508 571370495 /nfs/dbraw/zinc/37/04/95/571370495.db2.gz KVVCOECUGLDHHE-KNWKATPGSA-N 0 1 576.900 8.762 40 10 KKCBMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(N=NC3C(=O)[C@H](c4ccccc4)N(c4ccccc4)C3=O)cc2)n1 ZINC000104269766 571378167 /nfs/dbraw/zinc/37/81/67/571378167.db2.gz JNYDKZAGIKOUBX-VORLKBFLSA-N 0 1 540.605 5.536 40 10 KKCBMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(CCCOc2ccccc2Cl)c2ccc(Br)cc12 ZINC000104881964 571387076 /nfs/dbraw/zinc/38/70/76/571387076.db2.gz GCFVUDHGTWEZRY-FYJGNVAPSA-N 0 1 582.838 5.781 40 10 KKCBMN Cc1ccc(OCCn2cc(/C=C3\C(=O)NC(=O)N(C4CCCCC4)C3=O)c3cc(Br)ccc32)cc1C ZINC000104882129 571387167 /nfs/dbraw/zinc/38/71/67/571387167.db2.gz KWOJAYWXKHZSKM-MFKUBSTISA-N 0 1 564.480 5.894 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000104927600 571387944 /nfs/dbraw/zinc/38/79/44/571387944.db2.gz ZGWGDBARNLUAIZ-YZSQISJMSA-N 0 1 544.633 5.948 40 10 KKCBMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(/N=N/c4ccccc4)cc3O)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000105500398 571406417 /nfs/dbraw/zinc/40/64/17/571406417.db2.gz GNDHUKKIZGXGBP-SNYOLHMISA-N 0 1 604.688 6.081 40 10 KKCBMN CC(Nc1ccc(-c2nc3ccc(C)cc3s2)cc1)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 ZINC000112243149 571435370 /nfs/dbraw/zinc/43/53/70/571435370.db2.gz QONVMWAMQBYTBA-RRAHZORUSA-N 0 1 557.704 8.018 40 10 KKCBMN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1F)c1cccc(Cl)c1 ZINC000113510416 571439438 /nfs/dbraw/zinc/43/94/38/571439438.db2.gz DBVRYSHOWVWCDI-UHFFFAOYSA-N 0 1 543.403 6.417 40 10 KKCBMN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1F)c1ccc(F)cc1 ZINC000113511999 571439532 /nfs/dbraw/zinc/43/95/32/571439532.db2.gz JFMSYCCMYLWNRJ-UHFFFAOYSA-N 0 1 526.948 5.902 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000150425096 571489532 /nfs/dbraw/zinc/48/95/32/571489532.db2.gz GOEMUCZOQKNCGN-DJKKODMXSA-N 0 1 685.221 7.327 40 10 KKCBMN Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C1=O)C(C)=CC(C)(C)N2C(C)C ZINC000223515546 571491590 /nfs/dbraw/zinc/49/15/90/571491590.db2.gz FCBGCTZBPSGIIX-XDHOZWIPSA-N 0 1 528.505 6.543 40 10 KKCBMN CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4cccc(Br)c4)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223583055 571507458 /nfs/dbraw/zinc/50/74/58/571507458.db2.gz NUOJAZCPINECII-GKXUUXLPSA-N 0 1 526.500 5.701 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000150481499 571512631 /nfs/dbraw/zinc/51/26/31/571512631.db2.gz ZGIROVRRWANOEA-YDZHTSKRSA-N 0 1 699.364 6.626 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000164386866 571546774 /nfs/dbraw/zinc/54/67/74/571546774.db2.gz NJOCMSJVPPQEIH-RQZCQDPDSA-N 0 1 624.315 6.704 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1 ZINC000164392364 571546956 /nfs/dbraw/zinc/54/69/56/571546956.db2.gz PYOCGXZSUAESNN-UDWIEESQSA-N 0 1 640.328 6.914 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000164390978 571547036 /nfs/dbraw/zinc/54/70/36/571547036.db2.gz MYFACKUYJVAAJM-VIZOYTHASA-N 0 1 659.158 7.068 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000164390841 571547069 /nfs/dbraw/zinc/54/70/69/571547069.db2.gz GCUYUGZKZQATGP-CXUHLZMHSA-N 0 1 624.713 6.414 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000164401419 571547229 /nfs/dbraw/zinc/54/72/29/571547229.db2.gz JKJWZOYJBZHWMB-LICLKQGHSA-N 0 1 667.294 5.612 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000164404603 571547274 /nfs/dbraw/zinc/54/72/74/571547274.db2.gz AOKVYXBHDGQJDM-CXUHLZMHSA-N 0 1 624.315 6.704 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccc(I)cc1 ZINC000164401607 571547292 /nfs/dbraw/zinc/54/72/92/571547292.db2.gz HHQGKHIHDJCOAD-LICLKQGHSA-N 0 1 714.294 5.454 40 10 KKCBMN O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccc(Cl)cc1 ZINC000225790759 572069113 /nfs/dbraw/zinc/06/91/13/572069113.db2.gz PHJDQVCOXHYUIM-UHFFFAOYSA-N 0 1 569.491 6.450 40 10 KKCBMN O=C(c1ccccc1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1Cl ZINC000225806944 572073201 /nfs/dbraw/zinc/07/32/01/572073201.db2.gz XYNZSMDFVSKSTB-UHFFFAOYSA-N 0 1 535.046 5.797 40 10 KKCBMN CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=CNc1cc2c(cc1Br)n(C)c(=O)n2C ZINC000408535421 572188613 /nfs/dbraw/zinc/18/86/13/572188613.db2.gz SPPWPICKZJQHBP-KQWNVCNZSA-N 0 1 574.523 5.826 40 10 KKCBMN Cc1[nH]n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(=O)c1C=Nc1cc2c(cc1Br)n(C)c(=O)n2C ZINC000408535421 572188614 /nfs/dbraw/zinc/18/86/14/572188614.db2.gz SPPWPICKZJQHBP-KQWNVCNZSA-N 0 1 574.523 5.826 40 10 KKCBMN Cc1[nH]n(-c2ccc(Br)c(C)c2C)c(=O)c1C=Nc1c(C)cc(Br)c(C)c1[N+](=O)[O-] ZINC000408536037 572190318 /nfs/dbraw/zinc/19/03/18/572190318.db2.gz VIRLQCNPYXZBKB-DHDCSXOGSA-N 0 1 536.224 6.072 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C(=O)N5CCCCC5)cc4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000408541091 572207437 /nfs/dbraw/zinc/20/74/37/572207437.db2.gz DRERIZPXTIOLRQ-ZXVVBBHZSA-N 0 1 583.710 5.294 40 10 KKCBMN COC(=O)c1cccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)c3ccccc32)c1 ZINC000408540950 572207477 /nfs/dbraw/zinc/20/74/77/572207477.db2.gz DDCVANBTZMNWKG-OEAKJJBVSA-N 0 1 574.456 5.070 40 10 KKCBMN CCOc1cc(COc2ccccc2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccccc1 ZINC000408541131 572207807 /nfs/dbraw/zinc/20/78/07/572207807.db2.gz XYFCMWMOADSUPW-OOAXWGSJSA-N 0 1 564.663 6.075 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408543173 572212258 /nfs/dbraw/zinc/21/22/58/572212258.db2.gz PVFDTWRPYMFROQ-NLRVBDNBSA-N 0 1 569.683 5.040 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408543674 572213232 /nfs/dbraw/zinc/21/32/32/572213232.db2.gz PYEUAUHRYSAOAK-HZHRSRAPSA-N 0 1 624.546 6.038 40 10 KKCBMN COC(=O)c1cccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)c3ccccc32)c1 ZINC000408543608 572213250 /nfs/dbraw/zinc/21/32/50/572213250.db2.gz PHCTUCNEOBVPKK-CIAFOILYSA-N 0 1 564.450 5.614 40 10 KKCBMN COC(=O)c1cccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4cccc(Br)c4)C3=O)c3ccccc32)c1 ZINC000408544886 572216759 /nfs/dbraw/zinc/21/67/59/572216759.db2.gz YGIAOJZATFTDJH-YDZHTSKRSA-N 0 1 574.456 5.070 40 10 KKCBMN C[C@H](Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1)C(=O)NC1CCCCC1 ZINC000408596658 572271079 /nfs/dbraw/zinc/27/10/79/572271079.db2.gz XIVMKKFFDIPYJP-IBGZPJMESA-N 0 1 541.069 5.588 40 10 KKCBMN CC(C)N1c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Br)c4)C3=O)cc2[C@H](C)CC1(C)C ZINC000260569424 572322637 /nfs/dbraw/zinc/32/26/37/572322637.db2.gz QFIKZKQKBNKTOZ-SVZNOHIVSA-N 0 1 526.500 5.781 40 10 KKCBMN COc1ccc(OC)c(N2C(=O)C(=Cc3ccc4c(c3)CCN4Cc3ccccc3Cl)C(=O)NC2=S)c1 ZINC000103126022 1069708534 /nfs/dbraw/zinc/70/85/34/1069708534.db2.gz MGPNWKJYCGNSMG-STZFKDTASA-N 0 1 534.037 5.163 40 10 KKCBMN Cc1cccc(N2C(=O)/C(=C/c3cn(CCSc4ccc(Cl)cc4)c4ccccc34)C(=O)NC2=S)c1 ZINC000408779452 1069900719 /nfs/dbraw/zinc/90/07/19/1069900719.db2.gz WYJQJNCHCYGMQM-LFVJCYFKSA-N 0 1 532.090 6.227 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2Cl)c(I)c1 ZINC000408845843 1070052525 /nfs/dbraw/zinc/05/25/25/1070052525.db2.gz HRUVVNQKMYKQKV-RIYZIHGNSA-N 0 1 722.613 7.424 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1Cl ZINC000408845271 1070051504 /nfs/dbraw/zinc/05/15/04/1070051504.db2.gz LVWGYWNITVWTCH-LFIBNONCSA-N 0 1 596.717 6.820 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000408847145 1070055640 /nfs/dbraw/zinc/05/56/40/1070055640.db2.gz LVNJMBIUUPSYMG-VCHYOVAHSA-N 0 1 575.304 7.135 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000408852467 1070059711 /nfs/dbraw/zinc/05/97/11/1070059711.db2.gz LFMDCTXNKHQBRU-LCYFTJDESA-N 0 1 512.201 6.392 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408852185 1070058723 /nfs/dbraw/zinc/05/87/23/1070058723.db2.gz CXCZPHJDNNWFEO-CXUHLZMHSA-N 0 1 582.292 6.719 40 10 KKCBMN COc1c(I)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1I ZINC000408850220 1070064258 /nfs/dbraw/zinc/06/42/58/1070064258.db2.gz INZZFSDXFVXDDS-WEVVVXLNSA-N 0 1 659.070 5.043 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000408850633 1070064328 /nfs/dbraw/zinc/06/43/28/1070064328.db2.gz PXVZVHSYWOSPPD-LICLKQGHSA-N 0 1 561.874 6.374 40 10 KKCBMN COc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1Br ZINC000408851084 1070065549 /nfs/dbraw/zinc/06/55/49/1070065549.db2.gz HRHFBWNZDXSERX-WEVVVXLNSA-N 0 1 565.070 5.358 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)ccc1OCc1cccc(F)c1 ZINC000408851134 1070065899 /nfs/dbraw/zinc/06/58/99/1070065899.db2.gz IWKRMFMDVKDCEX-LDADJPATSA-N 0 1 545.419 5.942 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000408849514 1070062923 /nfs/dbraw/zinc/06/29/23/1070062923.db2.gz WMXLEGZEQZDMOE-MHWRWJLKSA-N 0 1 552.266 6.711 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408857318 1070067814 /nfs/dbraw/zinc/06/78/14/1070067814.db2.gz UHDYPRLTIAHSAL-NTEUORMPSA-N 0 1 589.369 5.442 40 10 KKCBMN COc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1Br ZINC000408854575 1070072892 /nfs/dbraw/zinc/07/28/92/1070072892.db2.gz IRQDKCBSRPHTCX-WEVVVXLNSA-N 0 1 520.619 5.249 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408874864 1070102287 /nfs/dbraw/zinc/10/22/87/1070102287.db2.gz DOIZGGRAZSYPLL-NDENLUEZSA-N 0 1 510.974 5.288 40 10 KKCBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(NC(=O)c6ccccc6Cl)cc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)c1 ZINC000408991439 1070358614 /nfs/dbraw/zinc/35/86/14/1070358614.db2.gz OFORMFMICRAEPB-OEAKJJBVSA-N 0 1 700.223 7.710 40 10 KKCBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)C(=O)NC2=S)c1 ZINC000408992274 1070360259 /nfs/dbraw/zinc/36/02/59/1070360259.db2.gz RCZFKHIHUKJNTG-GZTJUZNOSA-N 0 1 536.616 5.397 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)C(=O)NC2=S)c(OC)c1 ZINC000409101123 1070533833 /nfs/dbraw/zinc/53/38/33/1070533833.db2.gz VNTOBEHZOQPPHR-YBEGLDIGSA-N 0 1 503.363 5.102 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Br)cc(Br)c3OCc3cccc(Cl)c3)C2=O)cc1OC ZINC000409124417 1070552122 /nfs/dbraw/zinc/55/21/22/1070552122.db2.gz HMZVUFLRLZHZEJ-LPYMAVHISA-N 0 1 692.788 6.903 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccccc3)C2=O)cc1OC ZINC000409142960 1070570626 /nfs/dbraw/zinc/57/06/26/1070570626.db2.gz MGAVBSKIGFPWAD-XQNSMLJCSA-N 0 1 534.996 5.378 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3c(OCc4ccccc4)ccc4ccccc43)C2=O)cc1OC ZINC000409142796 1070570529 /nfs/dbraw/zinc/57/05/29/1070570529.db2.gz BIJQJQNZNNQBMK-ZXVVBBHZSA-N 0 1 550.611 5.878 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1cc(C)c(Br)c(C)c1 ZINC000409162035 1070580970 /nfs/dbraw/zinc/58/09/70/1070580970.db2.gz QMHOMSOOLVVBFM-LPYMAVHISA-N 0 1 506.400 5.135 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2Br)cc1 ZINC000409188443 1070596841 /nfs/dbraw/zinc/59/68/41/1070596841.db2.gz ZFTLDDMPBWHHNB-LICLKQGHSA-N 0 1 641.168 6.929 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccccc4F)c(OC)c3)C2=O)cc1OCC ZINC000409187737 1070597007 /nfs/dbraw/zinc/59/70/07/1070597007.db2.gz AZUHUSUYUHURFF-LPYMAVHISA-N 0 1 597.039 5.916 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Cl)c(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C2=O)cc1OCC ZINC000409190387 1070607778 /nfs/dbraw/zinc/60/77/78/1070607778.db2.gz YAZACENKJQRDFN-OEAKJJBVSA-N 0 1 643.114 5.274 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)s3)C(=O)NC2=S)cc1Cl ZINC000409230227 1070656250 /nfs/dbraw/zinc/65/62/50/1070656250.db2.gz XPQPHOWRSCTCMY-GZTJUZNOSA-N 0 1 505.473 6.346 40 10 KKCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000409233640 1070659203 /nfs/dbraw/zinc/65/92/03/1070659203.db2.gz LMFIXFUOAXWTTP-WSDLNYQXSA-N 0 1 550.518 5.448 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000409244215 1070672045 /nfs/dbraw/zinc/67/20/45/1070672045.db2.gz ZQRDBHSBCSKIND-GIJQJNRQSA-N 0 1 521.923 5.737 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1 ZINC000409249746 1070666341 /nfs/dbraw/zinc/66/63/41/1070666341.db2.gz OHWAUPACJBUBBB-OVVQPSECSA-N 0 1 521.642 5.813 40 10 KKCBMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(/N=N/c4ccccc4)cc3O)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000409333577 1070839199 /nfs/dbraw/zinc/83/91/99/1070839199.db2.gz HXXFUQDUIZOGTG-HWNCECLZSA-N 0 1 598.681 5.327 40 10 KKCBMN COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409338156 1070860937 /nfs/dbraw/zinc/86/09/37/1070860937.db2.gz DZTAQDUELVFWBA-XDHOZWIPSA-N 0 1 561.504 5.644 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409375909 1070889303 /nfs/dbraw/zinc/88/93/03/1070889303.db2.gz QSBZHVDRMOXIIR-CIAFOILYSA-N 0 1 643.459 5.181 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C(=O)NC2=S)cc1 ZINC000409381865 1070898942 /nfs/dbraw/zinc/89/89/42/1070898942.db2.gz OIFHKMZRGNFDEZ-PDGQHHTCSA-N 0 1 526.368 5.011 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409385288 1070902500 /nfs/dbraw/zinc/90/25/00/1070902500.db2.gz HJLKPLLKFYVLBE-LPYMAVHISA-N 0 1 626.504 5.398 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OCc4ccccc4Cl)cc3Br)C(=O)NC2=S)cc1 ZINC000409385652 1070903314 /nfs/dbraw/zinc/90/33/14/1070903314.db2.gz IUGUSZFFGMNHJI-UDWIEESQSA-N 0 1 585.907 6.084 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409408369 1070926341 /nfs/dbraw/zinc/92/63/41/1070926341.db2.gz QDRLFMAQBUWLHQ-NDENLUEZSA-N 0 1 527.802 5.542 40 10 KKCBMN Cc1ccc(Sc2oc(/C=C3\C(=O)NC(=S)N(c4cccc(Br)c4)C3=O)cc2Br)cc1 ZINC000408909611 1070975338 /nfs/dbraw/zinc/97/53/38/1070975338.db2.gz HMNUJPINQRLMJG-LICLKQGHSA-N 0 1 578.307 6.096 40 10 KKCBMN Cc1cccc(COc2ccc(Br)cc2/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c1 ZINC000408917114 1070994855 /nfs/dbraw/zinc/99/48/55/1070994855.db2.gz MXXOIXBLOFGWSH-BKUYFWCQSA-N 0 1 525.399 5.307 40 10 KKCBMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000408918105 1071139675 /nfs/dbraw/zinc/13/96/75/1071139675.db2.gz GEHJEFJNHINNBC-IWIPYMOSSA-N 0 1 500.526 5.528 40 10 KKCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000408695417 1071384355 /nfs/dbraw/zinc/38/43/55/1071384355.db2.gz UKYOGYIPFRRZLC-HYARGMPZSA-N 0 1 509.389 6.130 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(Br)cc1OCc1cccc(C)c1 ZINC000408695056 1071385838 /nfs/dbraw/zinc/38/58/38/1071385838.db2.gz OTPXFJFTOWWWKE-UDWIEESQSA-N 0 1 527.415 5.140 40 10 KKCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1Cl ZINC000408694225 1071388331 /nfs/dbraw/zinc/38/83/31/1071388331.db2.gz GJHDNRJBGHEOBY-LDADJPATSA-N 0 1 503.780 5.086 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408692706 1071394280 /nfs/dbraw/zinc/39/42/80/1071394280.db2.gz SMXFZYMABXXUDN-YBFXNURJSA-N 0 1 547.833 5.485 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408692864 1071393339 /nfs/dbraw/zinc/39/33/39/1071393339.db2.gz XFBOKSAUSGGNQN-WOJGMQOQSA-N 0 1 503.382 5.376 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408692753 1071393396 /nfs/dbraw/zinc/39/33/96/1071393396.db2.gz UJVPZCOYWOOUHM-YBFXNURJSA-N 0 1 503.382 5.376 40 10 KKCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccc3ccccc3c2)c(I)c1 ZINC000408692814 1071393482 /nfs/dbraw/zinc/39/34/82/1071393482.db2.gz WBKOMAIXTBRDBW-HYARGMPZSA-N 0 1 566.395 5.428 40 10 KKCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)c(I)c1 ZINC000408692717 1071393822 /nfs/dbraw/zinc/39/38/22/1071393822.db2.gz STWURGDNODFTIH-WOJGMQOQSA-N 0 1 595.231 5.037 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408692709 1071393981 /nfs/dbraw/zinc/39/39/81/1071393981.db2.gz SOUNODNOLMLFGJ-LPYMAVHISA-N 0 1 504.970 5.485 40 10 KKCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1 ZINC000408691979 1071397074 /nfs/dbraw/zinc/39/70/74/1071397074.db2.gz AJRAENVKEBIPCD-DIBXZPPDSA-N 0 1 580.482 6.978 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408966696 1071409401 /nfs/dbraw/zinc/40/94/01/1071409401.db2.gz NPCRTHFGFZZDIE-FYJGNVAPSA-N 0 1 510.034 6.015 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408724508 1071525309 /nfs/dbraw/zinc/52/53/09/1071525309.db2.gz AVGCOULCDSATEH-NDENLUEZSA-N 0 1 527.429 5.802 40 10 KKCBMN O=C1NC(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000408722969 1071530432 /nfs/dbraw/zinc/53/04/32/1071530432.db2.gz OWOIEDJCGXFJSU-LZYBPNLTSA-N 0 1 641.168 6.929 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408723010 1071530455 /nfs/dbraw/zinc/53/04/55/1071530455.db2.gz PLPUQVGAKQFUKW-ZMOGYAJESA-N 0 1 668.940 6.907 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OCc4ccc(Cl)c(Cl)c4)c(Br)c3Br)C(=O)NC2=S)cc1 ZINC000408994775 1071556698 /nfs/dbraw/zinc/55/66/98/1071556698.db2.gz IZRWWYMQTUMFOC-LICLKQGHSA-N 0 1 701.220 6.946 40 10 KKCBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)c7ccccc7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)c1 ZINC000408991654 1071578512 /nfs/dbraw/zinc/57/85/12/1071578512.db2.gz OTLXYHBHFZBTAG-ZVHZXABRSA-N 0 1 691.772 6.604 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(SCC(=O)Nc4ccc5ccccc5c4)c([N+](=O)[O-])c3)C(=O)NC2=S)c(C)c1 ZINC000408990765 1071586412 /nfs/dbraw/zinc/58/64/12/1071586412.db2.gz LVFBXKSSJAIVKO-ZVHZXABRSA-N 0 1 596.690 5.927 40 10 KKCBMN CCOc1ccc2nc(Sc3ccc(/C=C4/C(=O)NC(=S)N(c5ccc(C)cc5)C4=O)cc3[N+](=O)[O-])sc2c1 ZINC000408988699 1071602088 /nfs/dbraw/zinc/60/20/88/1071602088.db2.gz FNIZINIXKZNTHC-XDHOZWIPSA-N 0 1 576.681 5.894 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccc(I)cc2)cc1 ZINC000408996744 1071616412 /nfs/dbraw/zinc/61/64/12/1071616412.db2.gz MXCAIKNJMWLPIQ-CIAFOILYSA-N 0 1 574.827 5.355 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1ccccc1 ZINC000408744227 1071616816 /nfs/dbraw/zinc/61/68/16/1071616816.db2.gz ZDEFRIUUDFVZED-DEDYPNTBSA-N 0 1 537.435 5.176 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408995706 1071621592 /nfs/dbraw/zinc/62/15/92/1071621592.db2.gz MXMJZGSMGDRZHF-LZYBPNLTSA-N 0 1 750.090 7.700 40 10 KKCBMN CCOc1cccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)C(=O)NC2=S)c1 ZINC000408743642 1071617782 /nfs/dbraw/zinc/61/77/82/1071617782.db2.gz WKMVNWLSMBJXBA-XKZIYDEJSA-N 0 1 524.440 5.087 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408743294 1071618285 /nfs/dbraw/zinc/61/82/85/1071618285.db2.gz VQLLDAMXYZUXSK-VXLYETTFSA-N 0 1 547.847 6.066 40 10 KKCBMN Cc1cc(Br)ccc1N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)NC1=S ZINC000408742499 1071621249 /nfs/dbraw/zinc/62/12/49/1071621249.db2.gz RIKGGAFSIRLUSU-YBEGLDIGSA-N 0 1 591.237 5.520 40 10 KKCBMN CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C3\C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)c2-c2ccccc2)cc1 ZINC000408744501 1071616014 /nfs/dbraw/zinc/61/60/14/1071616014.db2.gz YFWMALSONHSEBK-MWAVMZGNSA-N 0 1 648.582 7.804 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408741104 1071627316 /nfs/dbraw/zinc/62/73/16/1071627316.db2.gz KDURSWATRWTXCH-UDWIEESQSA-N 0 1 537.435 5.176 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408742165 1071622228 /nfs/dbraw/zinc/62/22/28/1071622228.db2.gz PVAONNBOPBSTNA-DJKKODMXSA-N 0 1 592.298 6.175 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408741028 1071627810 /nfs/dbraw/zinc/62/78/10/1071627810.db2.gz JITGGAOLJFWLMI-YBFXNURJSA-N 0 1 557.853 5.521 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccccc4)c(I)c3)C(=O)NC2=S)cc1 ZINC000408741457 1071625610 /nfs/dbraw/zinc/62/56/10/1071625610.db2.gz MDFKVQGARVCDNG-YBFXNURJSA-N 0 1 680.305 5.615 40 10 KKCBMN CCOc1cccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccccc4)c3-c3ccccc3)C(=O)NC2=S)c1 ZINC000408741260 1071626184 /nfs/dbraw/zinc/62/61/84/1071626184.db2.gz OXIKXPFMXLSFFB-OFWBYEQRSA-N 0 1 569.686 7.041 40 10 KKCBMN Cc1cccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4cccc(Br)c4)C3=O)c3ccccc32)c1 ZINC000409002893 1071639192 /nfs/dbraw/zinc/63/91/92/1071639192.db2.gz XFFXSQYPQRIKFX-YDZHTSKRSA-N 0 1 530.447 5.592 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408998484 1071658485 /nfs/dbraw/zinc/65/84/85/1071658485.db2.gz USWJCKNIEUJUTF-VCHYOVAHSA-N 0 1 699.248 7.554 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408997417 1071664855 /nfs/dbraw/zinc/66/48/55/1071664855.db2.gz OLHGLKIQNSUXFH-CXUHLZMHSA-N 0 1 705.639 7.591 40 10 KKCBMN COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4ccc(/N=N/c5ccccc5)cc4O)c(=O)n31)c1ccccc1CC2 ZINC000408757884 1071708845 /nfs/dbraw/zinc/70/88/45/1071708845.db2.gz ROBUSBDVXRXNTG-WRHZMTGYSA-N 0 1 570.674 6.448 40 10 KKCBMN CCOc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4)c3-c3ccccc3)C(=O)NC2=S)c1 ZINC000408781393 1071817491 /nfs/dbraw/zinc/81/74/91/1071817491.db2.gz RYCLDKOUKFBCRK-NLRVBDNBSA-N 0 1 507.615 5.683 40 10 KKCBMN Cc1ccc(N=Nc2ccc(N3C(=O)C(OC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)C3=O)cc2)cc1 ZINC000409293208 1071842794 /nfs/dbraw/zinc/84/27/94/1071842794.db2.gz HFPCJAPFFLAUIZ-XIQQCNFESA-N 0 1 533.540 5.735 40 10 KKCBMN Cc1ccc(N=Nc2ccc(N3C(=O)[C@H](OC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)C3=O)cc2)cc1 ZINC000409293208 1071842808 /nfs/dbraw/zinc/84/28/08/1071842808.db2.gz HFPCJAPFFLAUIZ-XIQQCNFESA-N 0 1 533.540 5.735 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000408777378 1071844743 /nfs/dbraw/zinc/84/47/43/1071844743.db2.gz YCVFKCCAJFRKFG-SRZZPIQSSA-N 0 1 630.358 6.247 40 10 KKCBMN CCc1ccccc1N1C(=O)/C(=C/c2cn(CCSc3ccc(Cl)cc3)c3ccccc23)C(=O)NC1=S ZINC000408784397 1071865368 /nfs/dbraw/zinc/86/53/68/1071865368.db2.gz QUNKXPZJVVIRLU-JJIBRWJFSA-N 0 1 546.117 6.481 40 10 KKCBMN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4C)C3=O)c2C)c1 ZINC000409074788 1072066718 /nfs/dbraw/zinc/06/67/18/1072066718.db2.gz RPIWAPYUWXBJJM-KGENOOAVSA-N 0 1 522.026 5.064 40 10 KKCBMN Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C(=O)NC1=S ZINC000409071266 1072090904 /nfs/dbraw/zinc/09/09/04/1072090904.db2.gz QGGDFXWOUQLAOR-XDHOZWIPSA-N 0 1 554.886 6.790 40 10 KKCBMN O=C(NN1C(=O)/C(=C\c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC1=S)c1cccs1 ZINC000409327278 1072240966 /nfs/dbraw/zinc/24/09/66/1072240966.db2.gz IUVSNLRGXOGCBR-VCHYOVAHSA-N 0 1 551.549 6.014 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(Br)c(Br)c1O ZINC000409088244 1072301569 /nfs/dbraw/zinc/30/15/69/1072301569.db2.gz KNTOYHLPHVTTGO-YRNVUSSQSA-N 0 1 574.678 5.109 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)c3C)C(=O)NC2=S)c(OC)c1 ZINC000409097532 1072336924 /nfs/dbraw/zinc/33/69/24/1072336924.db2.gz IWGCZQHTSAJFMY-WKULSOCRSA-N 0 1 595.765 6.410 40 10 KKCBMN O=C(NN1C(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)SC1=S)c1cccs1 ZINC000409334682 1072344944 /nfs/dbraw/zinc/34/49/44/1072344944.db2.gz VSFMZMVUQUVTMD-WQRHYEAKSA-N 0 1 534.065 6.007 40 10 KKCBMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(/N=N/c4ccccc4)cc3O)c(=O)n2[C@@H]1c1ccc(Br)cc1 ZINC000409333032 1072356765 /nfs/dbraw/zinc/35/67/65/1072356765.db2.gz AVYNEDDPUSBWQA-IKDJVGDTSA-N 0 1 603.498 5.682 40 10 KKCBMN O=C(NN1C(=O)/C(=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)SC1=S)c1cccs1 ZINC000409329898 1072380574 /nfs/dbraw/zinc/38/05/74/1072380574.db2.gz INTDRRULAIJBTQ-VCHYOVAHSA-N 0 1 644.819 7.052 40 10 KKCBMN O=C(Cn1cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)c2ccccc21)Nc1ccc(F)cc1 ZINC000409329908 1072381034 /nfs/dbraw/zinc/38/10/34/1072381034.db2.gz IRPJLTFVNFWBGE-MTJSOVHGSA-N 0 1 536.635 5.027 40 10 KKCBMN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409329162 1072386210 /nfs/dbraw/zinc/38/62/10/1072386210.db2.gz DDZBQFPHRLPNET-HYARGMPZSA-N 0 1 553.687 5.019 40 10 KKCBMN Cc1c(Cl)cccc1N1C(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)C(=O)NC1=S ZINC000409107590 1072413370 /nfs/dbraw/zinc/41/33/70/1072413370.db2.gz SJVFUDWZJOAKQR-DIBXZPPDSA-N 0 1 619.102 7.513 40 10 KKCBMN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409346638 1072415085 /nfs/dbraw/zinc/41/50/85/1072415085.db2.gz OAJKIMXZBOPPQY-UDWIEESQSA-N 0 1 565.525 6.579 40 10 KKCBMN COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409346146 1072418012 /nfs/dbraw/zinc/41/80/12/1072418012.db2.gz NHPZNKIRVBIJJC-BUVRLJJBSA-N 0 1 532.668 6.035 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCCC)c(OCC)c3)C2=O)cc1OC ZINC000409122629 1072421018 /nfs/dbraw/zinc/42/10/18/1072421018.db2.gz AKBOUSITUDCGGK-XDHOZWIPSA-N 0 1 575.456 5.096 40 10 KKCBMN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409345581 1072423289 /nfs/dbraw/zinc/42/32/89/1072423289.db2.gz JLOSDGYFJUQQOZ-CIAFOILYSA-N 0 1 565.525 6.579 40 10 KKCBMN Cc1ccc(NC(=O)Cn2cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4C)C3=O)c3ccccc32)cc1 ZINC000409121973 1072423501 /nfs/dbraw/zinc/42/35/01/1072423501.db2.gz ZMWMZASNTKUKOU-HYARGMPZSA-N 0 1 543.048 5.382 40 10 KKCBMN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409344333 1072432273 /nfs/dbraw/zinc/43/22/73/1072432273.db2.gz IQGDPUUXZOLXQY-BUVRLJJBSA-N 0 1 581.741 5.834 40 10 KKCBMN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409343260 1072443018 /nfs/dbraw/zinc/44/30/18/1072443018.db2.gz DFXVFQSLONSJCD-UDWIEESQSA-N 0 1 620.528 5.943 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc(C)cc4)c(OC)c3)C2=O)cc1OC ZINC000409127269 1072447142 /nfs/dbraw/zinc/44/71/42/1072447142.db2.gz CTVRCLWRFWHMRF-YDZHTSKRSA-N 0 1 579.049 5.695 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCc3ccccc3F)C2=O)cc1OC ZINC000409126938 1072448184 /nfs/dbraw/zinc/44/81/84/1072448184.db2.gz PTMRDZODQIEUCH-PXLXIMEGSA-N 0 1 597.437 5.627 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4)c(Cl)c3)C2=O)cc1OC ZINC000409126263 1072454427 /nfs/dbraw/zinc/45/44/27/1072454427.db2.gz OFVAYAWVJLXPBI-HYARGMPZSA-N 0 1 534.996 5.378 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc5ccccc5c4)c4ccccc34)C(=O)NC2=S)c(C)c1 ZINC000409125383 1072460246 /nfs/dbraw/zinc/46/02/46/1072460246.db2.gz MFCWULNMRDEGQQ-WPWMEQJKSA-N 0 1 515.638 6.291 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3c(OCc4cccc(F)c4)ccc4ccccc43)C2=O)cc1OC ZINC000409124756 1072463884 /nfs/dbraw/zinc/46/38/84/1072463884.db2.gz CKQAMELZIISPEU-OVVQPSECSA-N 0 1 568.601 6.017 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4cccc([N+](=O)[O-])c4)c4ccccc34)C(=O)NC2=S)c(C)c1 ZINC000409124177 1072467369 /nfs/dbraw/zinc/46/73/69/1072467369.db2.gz JPWAMVKWIMHFIY-OEAKJJBVSA-N 0 1 510.575 5.046 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4cccc5ccccc54)c(OC)c3)C2=O)cc1OC ZINC000409136387 1072479154 /nfs/dbraw/zinc/47/91/54/1072479154.db2.gz YUBVPEAYFQDFLC-CVKSISIWSA-N 0 1 615.082 6.540 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4cccc(F)c4)c(OCC)c3)C2=O)cc1OC ZINC000409135450 1072484894 /nfs/dbraw/zinc/48/48/94/1072484894.db2.gz QYWHNTDPFLLSDF-YDZHTSKRSA-N 0 1 597.039 5.916 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4cccc(F)c4)c(OCC)c3)C2=O)cc1OC ZINC000409133774 1072497709 /nfs/dbraw/zinc/49/77/09/1072497709.db2.gz RRNNQIISTNNTID-YDZHTSKRSA-N 0 1 641.490 6.025 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409133506 1072497755 /nfs/dbraw/zinc/49/77/55/1072497755.db2.gz MSNUFYRTKZBEKV-JFLMPSFJSA-N 0 1 604.559 7.428 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)cc(Br)c3OCC)C2=O)cc1OC ZINC000409132438 1072504734 /nfs/dbraw/zinc/50/47/34/1072504734.db2.gz ZVBDRSLCZKJBSG-GZTJUZNOSA-N 0 1 596.272 5.070 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccccc4)c(OC)c3)C2=O)cc1OC ZINC000409128974 1072523251 /nfs/dbraw/zinc/52/32/51/1072523251.db2.gz SYXSLBIOQGXZOG-LPYMAVHISA-N 0 1 609.473 5.496 40 10 KKCBMN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409351466 1072536303 /nfs/dbraw/zinc/53/63/03/1072536303.db2.gz UMWWKMKVRWKDIT-BUVRLJJBSA-N 0 1 625.591 7.188 40 10 KKCBMN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OCc1ccccc1F ZINC000409350670 1072541376 /nfs/dbraw/zinc/54/13/76/1072541376.db2.gz YRLOPMMHJVZMOD-FYJGNVAPSA-N 0 1 514.625 5.411 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1OC ZINC000409143159 1072542119 /nfs/dbraw/zinc/54/21/19/1072542119.db2.gz ZIHFYCDXKNFDFS-WSDLNYQXSA-N 0 1 701.470 5.246 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCc3ccc(Cl)cc3Cl)C2=O)cc1OC ZINC000409141281 1072553990 /nfs/dbraw/zinc/55/39/90/1072553990.db2.gz UXFSDCZVNRUPIS-LPYMAVHISA-N 0 1 648.337 6.794 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(Cl)c4)c(Br)c3)C2=O)cc1OC ZINC000409140281 1072559941 /nfs/dbraw/zinc/55/99/41/1072559941.db2.gz QZUKCHFUATTWGG-LPYMAVHISA-N 0 1 613.892 6.141 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000409140002 1072561464 /nfs/dbraw/zinc/56/14/64/1072561464.db2.gz CQRMVEHZSBSIEY-IMRQLAEWSA-N 0 1 505.643 6.209 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Cl)cc(Cl)c3OCc3cccc(Cl)c3)C2=O)cc1OC ZINC000409139374 1072564856 /nfs/dbraw/zinc/56/48/56/1072564856.db2.gz NFQCSPYKSPPMQU-LPYMAVHISA-N 0 1 603.886 6.685 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)C2=O)cc1OC ZINC000409145628 1072585638 /nfs/dbraw/zinc/58/56/38/1072585638.db2.gz RCBHWPKCEHHFSB-UFFVCSGVSA-N 0 1 725.363 6.645 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCC(=O)Nc4ccc(C)cc4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409377314 1072625489 /nfs/dbraw/zinc/62/54/89/1072625489.db2.gz GDHNHLZWTMBBNG-LPYMAVHISA-N 0 1 564.063 5.068 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Br)c(Cl)c4)o3)C(=O)NC2=S)cc1 ZINC000409376905 1072626644 /nfs/dbraw/zinc/62/66/44/1072626644.db2.gz BTKKLMPELCKTDJ-SFQUDFHCSA-N 0 1 515.816 5.756 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4cccc(C)c4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409376800 1072627307 /nfs/dbraw/zinc/62/73/07/1072627307.db2.gz BHIXNUOEOFJPOZ-LPYMAVHISA-N 0 1 612.489 5.581 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCC(=O)Nc1ccc(F)cc1 ZINC000409376829 1072627940 /nfs/dbraw/zinc/62/79/40/1072627940.db2.gz BOAXYTZKBVSXHU-LPYMAVHISA-N 0 1 626.504 5.398 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)c(Br)c3)C(=O)NC2=S)cc1 ZINC000409374980 1072634839 /nfs/dbraw/zinc/63/48/39/1072634839.db2.gz CMSLNTJTGPGFAM-FYJGNVAPSA-N 0 1 555.881 6.075 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(Br)cc1OCc1ccccc1Cl ZINC000409374664 1072636352 /nfs/dbraw/zinc/63/63/52/1072636352.db2.gz WBTQOSMGYMEAGR-VCHYOVAHSA-N 0 1 559.800 5.335 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409374665 1072636956 /nfs/dbraw/zinc/63/69/56/1072636956.db2.gz WBUZTACZPJHMMD-CAOOACKPSA-N 0 1 594.245 5.989 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3c(OCc4ccccc4Cl)ccc4ccccc43)C(=O)NC2=S)cc1 ZINC000409369488 1072658414 /nfs/dbraw/zinc/65/84/14/1072658414.db2.gz BZVDCKZCPMNDRM-KOEQRZSOSA-N 0 1 527.045 6.466 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409385669 1072690991 /nfs/dbraw/zinc/69/09/91/1072690991.db2.gz JAFUBTFVLXVASS-OEAKJJBVSA-N 0 1 669.541 5.410 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCc1ccc(F)cc1 ZINC000409385779 1072691709 /nfs/dbraw/zinc/69/17/09/1072691709.db2.gz IWBXOGZDXWUFKT-LPYMAVHISA-N 0 1 583.479 5.960 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409384534 1072697902 /nfs/dbraw/zinc/69/79/02/1072697902.db2.gz CRRMYLMNSRVILO-CIAFOILYSA-N 0 1 541.456 5.975 40 10 KKCBMN CC[C@@H](C)Oc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1OC ZINC000409383535 1072701852 /nfs/dbraw/zinc/70/18/52/1072701852.db2.gz WKNAJGWLBYSZKU-GFQQVXNGSA-N 0 1 523.836 5.120 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1ccc2ccccc2c1 ZINC000409382987 1072705164 /nfs/dbraw/zinc/70/51/64/1072705164.db2.gz SMBXCNTXOMKISR-WGOQTCKBSA-N 0 1 571.098 6.865 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4F)c(I)c3)C(=O)NC2=S)cc1 ZINC000409380649 1072717218 /nfs/dbraw/zinc/71/72/18/1072717218.db2.gz AMKHKWZYDPDVEX-DEDYPNTBSA-N 0 1 586.426 5.403 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCc1ccc(C)cc1 ZINC000409380058 1072720094 /nfs/dbraw/zinc/72/00/94/1072720094.db2.gz GNTKEGAPEMEJJA-OEAKJJBVSA-N 0 1 579.516 6.129 40 10 KKCBMN COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)C(=O)NC1=S ZINC000409172759 1072732625 /nfs/dbraw/zinc/73/26/25/1072732625.db2.gz IFMHOTYAKOSLAN-GZTJUZNOSA-N 0 1 500.407 5.241 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409387432 1072743165 /nfs/dbraw/zinc/74/31/65/1072743165.db2.gz QHXOTZHOTXNYNC-CIAFOILYSA-N 0 1 643.459 5.181 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000409399258 1072750187 /nfs/dbraw/zinc/75/01/87/1072750187.db2.gz HFEZLWLRGMBBSV-BWAHOGKJSA-N 0 1 536.657 5.748 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCc1cccc(C)c1 ZINC000409405597 1072762119 /nfs/dbraw/zinc/76/21/19/1072762119.db2.gz IAQPFUUEKITZKC-BKUYFWCQSA-N 0 1 507.384 5.197 40 10 KKCBMN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)cc(I)c2O)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185942 1072765039 /nfs/dbraw/zinc/76/50/39/1072765039.db2.gz SYGHTOLIZCFZRE-VRKORRMZSA-N 0 1 815.471 6.995 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCc1ccc(Br)cc1 ZINC000409404167 1072768196 /nfs/dbraw/zinc/76/81/96/1072768196.db2.gz CQDKIBPYYIQGFB-NDENLUEZSA-N 0 1 572.253 5.651 40 10 KKCBMN COc1cc(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1cccc2ccccc21 ZINC000409403580 1072770677 /nfs/dbraw/zinc/77/06/77/1072770677.db2.gz ACENCVOHTHDAMX-IWIPYMOSSA-N 0 1 529.390 5.651 40 10 KKCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1 ZINC000409401737 1072779298 /nfs/dbraw/zinc/77/92/98/1072779298.db2.gz ZIBWJARBPHKTBA-ZDLGFXPLSA-N 0 1 565.194 5.638 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3c(OCc4cccc(F)c4)ccc4ccccc43)C2=O)cc1OCC ZINC000409192381 1072825526 /nfs/dbraw/zinc/82/55/26/1072825526.db2.gz BXEBEXKFYCQKTM-TURZUDJPSA-N 0 1 582.628 6.407 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OS(=O)(=O)c4ccc(C)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409196844 1072829770 /nfs/dbraw/zinc/82/97/70/1072829770.db2.gz ZHOVUZICYKFLHU-BUVRLJJBSA-N 0 1 701.592 5.773 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C)cc4)c(Br)c3)C2=O)cc1OCC ZINC000409195035 1072839154 /nfs/dbraw/zinc/83/91/54/1072839154.db2.gz SQEMNFRDRROOKM-BUVRLJJBSA-N 0 1 607.501 6.186 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Br)cc(Br)c3OCc3ccc(Cl)cc3Cl)C2=O)cc1OCC ZINC000409193734 1072848467 /nfs/dbraw/zinc/84/84/67/1072848467.db2.gz LSQBLGSEORYBHR-WSDLNYQXSA-N 0 1 741.260 7.947 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCc3cccc4ccccc43)C2=O)cc1OCC ZINC000409192694 1072854016 /nfs/dbraw/zinc/85/40/16/1072854016.db2.gz FIAZXTQQLFTMQG-TURZUDJPSA-N 0 1 643.534 7.031 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccc(F)cc4)c3)C2=O)cc1OCC ZINC000409191036 1072864502 /nfs/dbraw/zinc/86/45/02/1072864502.db2.gz RMGWUVVUQGERNI-XYGWBWBKSA-N 0 1 532.568 5.254 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cccc(OCc4cccc5ccccc54)c3)C2=O)cc1OCC ZINC000409191159 1072865094 /nfs/dbraw/zinc/86/50/94/1072865094.db2.gz UALOQCXFAUZPLO-CEUNXORHSA-N 0 1 564.638 6.268 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)cc(Cl)c3OCCC)C2=O)cc1OCC ZINC000409190471 1072868813 /nfs/dbraw/zinc/86/88/13/1072868813.db2.gz OEQJTOILDPDVLG-CPNJWEJPSA-N 0 1 535.424 5.632 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)cc(Br)c3OS(=O)(=O)c3ccc(C)cc3)C2=O)cc1OCC ZINC000409190559 1072869248 /nfs/dbraw/zinc/86/92/48/1072869248.db2.gz SECBRGZJXYWQCO-HZHRSRAPSA-N 0 1 736.435 6.137 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4ccc(Cl)cc4Cl)c(OCC)c3)C2=O)cc1OCC ZINC000409189970 1072873242 /nfs/dbraw/zinc/87/32/42/1072873242.db2.gz ORBWJVIOSNMYDJ-FSJBWODESA-N 0 1 753.417 7.425 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)c(OC)c3)C2=O)cc1OCC ZINC000409189170 1072877909 /nfs/dbraw/zinc/87/79/09/1072877909.db2.gz DTNBFQHUKAUGPL-BUVRLJJBSA-N 0 1 562.594 5.263 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OS(=O)(=O)c4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409188932 1072879874 /nfs/dbraw/zinc/87/98/74/1072879874.db2.gz KTZYJOYOMOISAA-OEAKJJBVSA-N 0 1 677.559 6.009 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCc3ccc(Br)cc3)C2=O)cc1OCC ZINC000409188542 1072882654 /nfs/dbraw/zinc/88/26/54/1072882654.db2.gz CVJHOGUNYFJEJC-LFVJCYFKSA-N 0 1 672.370 6.640 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409188049 1072884648 /nfs/dbraw/zinc/88/46/48/1072884648.db2.gz FKSCZVVJEUQHOW-YZSQISJMSA-N 0 1 572.658 5.822 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Br)cc(Br)c3OCc3cccc(F)c3)C2=O)cc1OCC ZINC000409187932 1072885368 /nfs/dbraw/zinc/88/53/68/1072885368.db2.gz DHTXVOYIAMAIOK-OEAKJJBVSA-N 0 1 690.360 6.779 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCCC)c(Br)c3)C2=O)cc1OCC ZINC000409187768 1072885788 /nfs/dbraw/zinc/88/57/88/1072885788.db2.gz BURVONZMTVLXLP-WOJGMQOQSA-N 0 1 624.326 5.850 40 10 KKCBMN COC(=O)c1c(C)c(C)sc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c1C ZINC000409205747 1072896785 /nfs/dbraw/zinc/89/67/85/1072896785.db2.gz JVISFIQJOQJDKZ-MHWRWJLKSA-N 0 1 562.500 5.697 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(NC2CCCCC2)c([N+](=O)[O-])c1 ZINC000409207712 1072940776 /nfs/dbraw/zinc/94/07/76/1072940776.db2.gz YAZBDQIGAWNLKQ-HAHDFKILSA-N 0 1 519.602 5.151 40 10 KKCBMN Cc1ccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(Cl)c4)C3=O)c3ccccc32)cc1 ZINC000409225807 1072976933 /nfs/dbraw/zinc/97/69/33/1072976933.db2.gz LJZHCPRFQAXBII-YDZHTSKRSA-N 0 1 500.023 5.791 40 10 KKCBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4)c4ccccc34)C(=O)NC2=S)c1 ZINC000409230051 1073016107 /nfs/dbraw/zinc/01/61/07/1073016107.db2.gz AZMTUIAEXKIFBM-OEAKJJBVSA-N 0 1 500.023 5.791 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OC(C)C ZINC000409229294 1073021243 /nfs/dbraw/zinc/02/12/43/1073021243.db2.gz MUIHLMKLGIEUPO-LZYBPNLTSA-N 0 1 537.863 5.428 40 10 KKCBMN CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1Br ZINC000409229270 1073022836 /nfs/dbraw/zinc/02/28/36/1073022836.db2.gz MKVXJERCUMQSEO-GFQQVXNGSA-N 0 1 527.362 5.477 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000409228419 1073026532 /nfs/dbraw/zinc/02/65/32/1073026532.db2.gz YTCZTJYGCGFNIT-ZVHZXABRSA-N 0 1 519.548 6.097 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409236855 1073036352 /nfs/dbraw/zinc/03/63/52/1073036352.db2.gz HNOALCHMSBRLEK-JFLMPSFJSA-N 0 1 570.158 7.047 40 10 KKCBMN CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2C)cc1 ZINC000409232512 1073060173 /nfs/dbraw/zinc/06/01/73/1073060173.db2.gz QLPNQXSRICMKDO-LPYMAVHISA-N 0 1 541.551 5.121 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12 ZINC000409230603 1073068555 /nfs/dbraw/zinc/06/85/55/1073068555.db2.gz ZXXCHGHZWCWNMX-DEDYPNTBSA-N 0 1 516.966 5.083 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000409245430 1073084365 /nfs/dbraw/zinc/08/43/65/1073084365.db2.gz SWHVPVZTGOPUHW-JVWAILMASA-N 0 1 625.663 6.658 40 10 KKCBMN COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(C)C)cc4)C3=O)c2C)c1C ZINC000409244992 1073086571 /nfs/dbraw/zinc/08/65/71/1073086571.db2.gz LWKAFACVKZVQIS-BUVRLJJBSA-N 0 1 515.635 5.144 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4cccc5ccccc54)c4ccccc34)C(=O)NC2=S)cc1Cl ZINC000409244020 1073091099 /nfs/dbraw/zinc/09/10/99/1073091099.db2.gz WLNSBMNOKQRIAQ-CVKSISIWSA-N 0 1 536.056 6.636 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000409242889 1073094836 /nfs/dbraw/zinc/09/48/36/1073094836.db2.gz WNONDNKHFAGEFA-YZSQISJMSA-N 0 1 556.087 6.466 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000409242785 1073095551 /nfs/dbraw/zinc/09/55/51/1073095551.db2.gz TXBHOLKFTHGYLM-RGVLZGJSSA-N 0 1 562.411 6.015 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1cc(Cl)ccc1Cl ZINC000409242857 1073095882 /nfs/dbraw/zinc/09/58/82/1073095882.db2.gz WGGSULOQMBNSOM-GIJQJNRQSA-N 0 1 518.853 6.194 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000409242167 1073097782 /nfs/dbraw/zinc/09/77/82/1073097782.db2.gz NEAJVXHNTCEMJI-CVKSISIWSA-N 0 1 574.077 6.605 40 10 KKCBMN CC(C)c1ccc(N2C(=O)/C(=C/c3cc(Br)c(Sc4ccc(Cl)cc4)o3)C(=O)NC2=S)cc1 ZINC000409241102 1073104706 /nfs/dbraw/zinc/10/47/06/1073104706.db2.gz IRBDMWSOYSXURM-YBFXNURJSA-N 0 1 561.910 6.801 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1cccc(Br)c1 ZINC000409240877 1073105178 /nfs/dbraw/zinc/10/51/78/1073105178.db2.gz QMHALQBHJWCUJN-KEBDBYFISA-N 0 1 548.384 5.707 40 10 KKCBMN CC[C@H](C)Oc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC ZINC000409240944 1073105735 /nfs/dbraw/zinc/10/57/35/1073105735.db2.gz VPWZDWAYJITVTQ-MJOIQJIUSA-N 0 1 537.863 5.428 40 10 KKCBMN CC[C@@H](C)Oc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC ZINC000409240946 1073105775 /nfs/dbraw/zinc/10/57/75/1073105775.db2.gz VPWZDWAYJITVTQ-WJHGTXIHSA-N 0 1 537.863 5.428 40 10 KKCBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3cn(Cc4ccc5ccccc5c4)c4ccccc34)C(=O)NC2=S)c1 ZINC000409240401 1073107829 /nfs/dbraw/zinc/10/78/29/1073107829.db2.gz KIJAZQSFEGFBPD-WPWMEQJKSA-N 0 1 515.638 6.291 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000409239671 1073112417 /nfs/dbraw/zinc/11/24/17/1073112417.db2.gz DATSNFUUVDLKCV-MFKUBSTISA-N 0 1 611.636 6.151 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc(Br)c1OC(C)C ZINC000409239517 1073113446 /nfs/dbraw/zinc/11/34/46/1073113446.db2.gz NOGASBLIEPMPIM-LICLKQGHSA-N 0 1 517.445 5.083 40 10 KKCBMN CC[C@@H](C)Oc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OC ZINC000409238605 1073119828 /nfs/dbraw/zinc/11/98/28/1073119828.db2.gz KLYRGDJVZCEFFN-GGNJANJASA-N 0 1 557.388 5.485 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1cccc(I)c1 ZINC000409238094 1073122355 /nfs/dbraw/zinc/12/23/55/1073122355.db2.gz BYYVNLXXXGYNHJ-KEBDBYFISA-N 0 1 575.859 5.492 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc(Br)cc4)c3-c3ccccc3)C(=O)NC2=S)cc1Cl ZINC000409237851 1073124854 /nfs/dbraw/zinc/12/48/54/1073124854.db2.gz JYJQVVLLIMYQHU-VEILYXNESA-N 0 1 653.001 8.367 40 10 KKCBMN Cc1ccc(NC(=O)Cn2cc(/C=C3\C(=O)NC(=S)N(c4ccccc4Cl)C3=O)c3ccccc32)cc1 ZINC000409248740 1073146182 /nfs/dbraw/zinc/14/61/82/1073146182.db2.gz IIMJPSXWIUOEPP-KGENOOAVSA-N 0 1 529.021 5.073 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409254381 1073174260 /nfs/dbraw/zinc/17/42/60/1073174260.db2.gz WZYQRFLIOVSYOJ-MTJSOVHGSA-N 0 1 512.462 6.356 40 10 KKCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000409252867 1073184617 /nfs/dbraw/zinc/18/46/17/1073184617.db2.gz YCBSFNGJNJHASH-RGVLZGJSSA-N 0 1 574.411 6.847 40 10 KKCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc2c(c1)CCN2Cc1ccccc1Cl ZINC000002403905 1073200071 /nfs/dbraw/zinc/20/00/71/1073200071.db2.gz ROJMVYFBZVQNJI-BKUYFWCQSA-N 0 1 541.982 5.753 40 10 KKCBMN O=C(COc1c(Br)cc(Br)cc1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O)Nc1ccccc1 ZINC000409263602 1073216629 /nfs/dbraw/zinc/21/66/29/1073216629.db2.gz IGKJRLSHRVFVRC-UNOMPAQXSA-N 0 1 615.303 5.060 40 10 KKCBMN Cc1ccccc1NC(=O)COc1c(Br)cc(Br)cc1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O ZINC000409262294 1073221922 /nfs/dbraw/zinc/22/19/22/1073221922.db2.gz HKYLLYPUDNYAIZ-UNOMPAQXSA-N 0 1 629.330 5.369 40 10 KKCBMN CC(C)(C)c1cc(Br)c([O-])c(C[N@@H+](Cc2cc(C(C)(C)C)cc(Br)c2O)C2CCCCC2)c1 ZINC000001679641 551688900 /nfs/dbraw/zinc/68/89/00/551688900.db2.gz NQIXBTDGJGXIGS-UHFFFAOYSA-N 0 1 581.433 8.553 40 10 in-vitro KKCBMN CC(C)(C)c1cc(Br)c([O-])c(C[N@H+](Cc2cc(C(C)(C)C)cc(Br)c2O)C2CCCCC2)c1 ZINC000001679641 551688901 /nfs/dbraw/zinc/68/89/01/551688901.db2.gz NQIXBTDGJGXIGS-UHFFFAOYSA-N 0 1 581.433 8.553 40 10 in-vitro KKCBMN COc1cc(C=C2C(=O)NC(=S)N(c3cccc4ccccc43)C2=O)c([N+](=O)[O-])cc1OCCC(C)C ZINC000016575175 553568314 /nfs/dbraw/zinc/56/83/14/553568314.db2.gz JGUZAQOMITWBPX-DEDYPNTBSA-N 0 1 519.579 5.853 40 10 KKCBMN CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C(C)C)oc2c(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1[O-] ZINC000071382509 553635317 /nfs/dbraw/zinc/63/53/17/553635317.db2.gz CNGICHMTGRWUPJ-RBBKRZOGSA-N 0 1 564.686 5.519 40 10 KKCBMN Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000083309647 553676686 /nfs/dbraw/zinc/67/66/86/553676686.db2.gz BJZMLUCOINJZGQ-HYARGMPZSA-N 0 1 517.542 5.088 40 10 KKCBMN COc1cc2c(c(Oc3c([O-])c4c(cc3OC)CC[N@H+](C)[C@@H]4CC(C)C)c1O)[C@@H](CC(C)C)N(C)CC2 ZINC000024717567 553791337 /nfs/dbraw/zinc/79/13/37/553791337.db2.gz IPLGVBFSYLBXEF-FGZHOGPDSA-N 0 1 512.691 6.058 40 10 KKCBMN COc1cc2c(c(Oc3c([O-])c4c(cc3OC)CC[N@@H+](C)[C@@H]4CC(C)C)c1O)[C@@H](CC(C)C)N(C)CC2 ZINC000024717567 553791340 /nfs/dbraw/zinc/79/13/40/553791340.db2.gz IPLGVBFSYLBXEF-FGZHOGPDSA-N 0 1 512.691 6.058 40 10 KKCBMN CC[C@@H](C)c1ccc(OCCOc2c(Br)cc(/C=C3\C(=O)NN(c4ccccc4)C3=O)cc2OC)cc1 ZINC000097959170 553861395 /nfs/dbraw/zinc/86/13/95/553861395.db2.gz FMIRIXVQBDZLDN-GXDFBKAQSA-N 0 1 565.464 5.890 40 10 KKCBMN CC[C@@H](C)c1ccccc1OCCCn1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21 ZINC000033390265 553958183 /nfs/dbraw/zinc/95/81/83/553958183.db2.gz XNTSPDSEYLAPTF-MSPRMREJSA-N 0 1 525.605 6.719 40 10 KKCBMN CCc1cc(-c2n[nH]c(C)c2-c2nc3ccccc3s2)c([O-])c(C[N@H+]2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c1O ZINC000034240623 553981235 /nfs/dbraw/zinc/98/12/35/553981235.db2.gz LANBFRSMVUEKLE-ADSBAMQRSA-N 0 1 516.711 7.036 40 10 KKCBMN CCc1cc(-c2n[nH]c(C)c2-c2nc3ccccc3s2)c([O-])c(C[N@@H+]2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c1O ZINC000034240623 553981233 /nfs/dbraw/zinc/98/12/33/553981233.db2.gz LANBFRSMVUEKLE-ADSBAMQRSA-N 0 1 516.711 7.036 40 10 KKCBMN Cc1ccc(C(C)C)c(OCCn2cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)c1 ZINC000034828733 554011868 /nfs/dbraw/zinc/01/18/68/554011868.db2.gz CGFHEMGVRYZUBU-PCLIKHOPSA-N 0 1 511.578 6.247 40 10 KKCBMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(-c2ccc(I)cc2)o1 ZINC000100055430 554196143 /nfs/dbraw/zinc/19/61/43/554196143.db2.gz ZVOYRQRUKSXGMB-GZTJUZNOSA-N 0 1 579.213 5.145 40 10 KKCBMN Cc1c(Cl)cccc1N1C(=O)/C(=C\c2cn(CC(=O)Nc3ccccc3)c3ccccc23)C(=O)NC1=S ZINC000100326191 554310482 /nfs/dbraw/zinc/31/04/82/554310482.db2.gz VQTCUQYOPRCSGP-STZFKDTASA-N 0 1 529.021 5.073 40 10 KKCBMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2 ZINC000058849675 554369149 /nfs/dbraw/zinc/36/91/49/554369149.db2.gz QDBXSNQFUOVFEU-ATLLOTDBSA-N 0 1 511.987 5.884 40 10 KKCBMN CCN1C(=O)NC(=O)C(=Cc2cn(CCOc3ccc(C)c(C)c3)c3ccc(Br)cc23)C1=O ZINC000059087297 554372208 /nfs/dbraw/zinc/37/22/08/554372208.db2.gz YWWVMZOAOSDJEK-CIAFOILYSA-N 0 1 510.388 5.422 40 10 KKCBMN O=C1NC(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(Cc2ccc(Br)cc2)c2ccccc12 ZINC000059109525 554381003 /nfs/dbraw/zinc/38/10/03/554381003.db2.gz DEHRMYKOTKFPJU-HYARGMPZSA-N 0 1 506.400 6.087 40 10 KKCBMN CCOc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc2c(c1)OCO2 ZINC000059136160 554382255 /nfs/dbraw/zinc/38/22/55/554382255.db2.gz KIBPOPGAXJIASF-WOJGMQOQSA-N 0 1 520.538 5.204 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1cn(Cc2ccc3ccccc3c2)c2ccccc12 ZINC000059136283 554382388 /nfs/dbraw/zinc/38/23/88/554382388.db2.gz BYLYCNMJDJCQEO-LFVJCYFKSA-N 0 1 505.574 6.654 40 10 KKCBMN COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000059136107 554382392 /nfs/dbraw/zinc/38/23/92/554382392.db2.gz LBIJHIGZEZESEJ-MHWRWJLKSA-N 0 1 514.937 5.877 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1 ZINC000059136420 554382632 /nfs/dbraw/zinc/38/26/32/554382632.db2.gz FZSXFBUDLISCSR-FOWTUZBSSA-N 0 1 501.366 6.383 40 10 KKCBMN Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)o1 ZINC000059198521 554384988 /nfs/dbraw/zinc/38/49/88/554384988.db2.gz IYJFBEAXIMVCPK-WOJGMQOQSA-N 0 1 512.341 5.597 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)C(=O)NC2=S)c(OC)c1 ZINC000059595818 554408230 /nfs/dbraw/zinc/40/82/30/554408230.db2.gz HYVFAGYNZZFUKQ-OEAKJJBVSA-N 0 1 503.624 5.066 40 10 KKCBMN COc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C(C)(C)C)[C@H](C(=O)c2ccc(CC(C)C)cc2)[C@]12c1ccccc1NC2=O ZINC000103541281 555438668 /nfs/dbraw/zinc/43/86/68/555438668.db2.gz CGJABXVVKWJQAL-PAPOKCFQSA-N 0 1 562.710 6.482 40 10 KKCBMN Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)cc2Br)cc1 ZINC000103851531 571364953 /nfs/dbraw/zinc/36/49/53/571364953.db2.gz JWANAROLPDHWCF-LDADJPATSA-N 0 1 525.399 5.307 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Br)c1 ZINC000103851718 571365073 /nfs/dbraw/zinc/36/50/73/571365073.db2.gz PDGGTEGEGXUEIT-UDWIEESQSA-N 0 1 595.877 6.805 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000103851792 571365077 /nfs/dbraw/zinc/36/50/77/571365077.db2.gz 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0 1 595.877 6.805 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(Br)cc1OCc1cccc(C)c1 ZINC000103852211 571365326 /nfs/dbraw/zinc/36/53/26/571365326.db2.gz KMWOPARTMLMTCB-WOJGMQOQSA-N 0 1 555.425 5.316 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000103852002 571365375 /nfs/dbraw/zinc/36/53/75/571365375.db2.gz QLGXRPVAZVWAPZ-LZYBPNLTSA-N 0 1 565.837 6.205 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccc2c(c1)OCO2 ZINC000103852565 571365403 /nfs/dbraw/zinc/36/54/03/571365403.db2.gz YFQFLNQHNKQRKS-RQZCQDPDSA-N 0 1 554.983 5.017 40 10 KKCBMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000103860191 571367440 /nfs/dbraw/zinc/36/74/40/571367440.db2.gz WPBRKJAFRICXBA-GDNBJRDFSA-N 0 1 522.207 5.847 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000103860150 571367458 /nfs/dbraw/zinc/36/74/58/571367458.db2.gz WJKJPJBHBCYZPB-NDENLUEZSA-N 0 1 606.283 5.293 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000103870219 571368302 /nfs/dbraw/zinc/36/83/02/571368302.db2.gz JBPYSTBUGLMAOB-CXUHLZMHSA-N 0 1 598.725 6.441 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000103873065 571368327 /nfs/dbraw/zinc/36/83/27/571368327.db2.gz MFQBWAVSMWNAAO-WGOQTCKBSA-N 0 1 629.207 7.080 40 10 KKCBMN COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 ZINC000103922650 571369840 /nfs/dbraw/zinc/36/98/40/571369840.db2.gz HUOAHFUZRQOQPF-BRPDVVIDSA-N 0 1 575.650 7.326 40 10 KKCBMN COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc(Br)ccc2OC)N3)c1 ZINC000104649605 571383049 /nfs/dbraw/zinc/38/30/49/571383049.db2.gz NQTGNEWPWXGBMS-VKIDHGPPSA-N 0 1 571.493 6.102 40 10 KKCBMN O=c1/c(=C/c2ccc(/N=N/c3ccccc3)cc2O)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000104656457 571384018 /nfs/dbraw/zinc/38/40/18/571384018.db2.gz KJHHKRKGKKCAEM-NDPISHAISA-N 0 1 619.544 7.202 40 10 KKCBMN O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(CCCOc2ccccc2Cl)c2ccc(Br)cc12 ZINC000104881886 571387003 /nfs/dbraw/zinc/38/70/03/571387003.db2.gz HYFQXJNQIVETME-HZHRSRAPSA-N 0 1 592.877 6.188 40 10 KKCBMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(Cc2c(F)cccc2Cl)c2ccc(Br)cc12 ZINC000104881924 571387065 /nfs/dbraw/zinc/38/70/65/571387065.db2.gz VVOYNNWTHSTVJE-GIJQJNRQSA-N 0 1 556.775 5.500 40 10 KKCBMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(/N=N/c4ccccc4)cc3O)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000105498517 571405846 /nfs/dbraw/zinc/40/58/46/571405846.db2.gz NKVNRKLHYGXERW-IKDJVGDTSA-N 0 1 559.047 5.573 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=O)N([C@@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)cc(I)c1OCc1ccccc1 ZINC000150466407 571507775 /nfs/dbraw/zinc/50/77/75/571507775.db2.gz HAJLBOWCHBIIOL-NNXULEHKSA-N 0 1 640.518 5.946 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000150663098 571528005 /nfs/dbraw/zinc/52/80/05/571528005.db2.gz VLKBCNCBNXDZNZ-DJKKODMXSA-N 0 1 699.248 7.636 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000157788632 571529711 /nfs/dbraw/zinc/52/97/11/571529711.db2.gz QHVPLSDOHWZAMO-KOEQRZSOSA-N 0 1 673.658 7.189 40 10 KKCBMN Cc1c(Br)c(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000164337357 571546063 /nfs/dbraw/zinc/54/60/63/571546063.db2.gz GAOBPMIXXNOXIB-YBFXNURJSA-N 0 1 652.206 6.521 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000164391113 571546952 /nfs/dbraw/zinc/54/69/52/571546952.db2.gz NJPKZXYHZGOHJF-VGOFMYFVSA-N 0 1 659.158 7.068 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(OCc2cccc3ccccc32)c(Br)c1 ZINC000164392233 571546968 /nfs/dbraw/zinc/54/69/68/571546968.db2.gz UMFBDWMFKMHBJF-UDWIEESQSA-N 0 1 640.328 6.914 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(OCc2ccc(I)cc2)c(Br)c1 ZINC000164390374 571547012 /nfs/dbraw/zinc/54/70/12/571547012.db2.gz ULLJDLGMAIXJLR-GZTJUZNOSA-N 0 1 637.268 5.603 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(I)cc2)c(I)c1 ZINC000164394588 571547018 /nfs/dbraw/zinc/54/70/18/571547018.db2.gz JMJAYFXXOSLCDI-CXUHLZMHSA-N 0 1 763.164 6.208 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1 ZINC000164393958 571547063 /nfs/dbraw/zinc/54/70/63/571547063.db2.gz RAKAQPNFCXGKRI-VGOFMYFVSA-N 0 1 706.158 6.910 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(Br)cc1OCc1ccc(I)cc1 ZINC000164402742 571547243 /nfs/dbraw/zinc/54/72/43/571547243.db2.gz PKJORXDZFRPRRW-LICLKQGHSA-N 0 1 667.294 5.612 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000164404726 571547310 /nfs/dbraw/zinc/54/73/10/571547310.db2.gz CIKFHKVSGVRZQD-WOJGMQOQSA-N 0 1 634.321 6.160 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(I)c(OCc2ccc(F)cc2)c(I)c1 ZINC000164398197 571547324 /nfs/dbraw/zinc/54/73/24/571547324.db2.gz LHKGRGSSPAYQOA-CXUHLZMHSA-N 0 1 702.258 5.584 40 10 KKCBMN CCN(CC)c1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3C)c2)cc1 ZINC000224002358 571593317 /nfs/dbraw/zinc/59/33/17/571593317.db2.gz QYLCIJUQODNPCP-UHFFFAOYSA-N 0 1 500.064 5.534 40 10 KKCBMN CCn1c2cc(Br)c(NC=C3C(=O)N(c4ccc(Br)c(C)c4C)N=C3C)cc2n(CC)c1=O ZINC000408532129 572178648 /nfs/dbraw/zinc/17/86/48/572178648.db2.gz MAABGPBBBQEBNA-VBKFSLOCSA-N 0 1 575.305 5.703 40 10 KKCBMN CCn1c2cc(Br)c(N=Cc3c(C)[nH]n(-c4ccc(Br)c(C)c4C)c3=O)cc2n(CC)c1=O ZINC000408532129 572178650 /nfs/dbraw/zinc/17/86/50/572178650.db2.gz MAABGPBBBQEBNA-VBKFSLOCSA-N 0 1 575.305 5.703 40 10 KKCBMN Cc1[nH]n(-c2ccc(Br)cc2C)c(=O)c1C=Nc1c(C)cc(Br)cc1[N+](=O)[O-] ZINC000408537105 572193317 /nfs/dbraw/zinc/19/33/17/572193317.db2.gz ZDOOLPSGSXFGRS-DHDCSXOGSA-N 0 1 508.170 5.455 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408539449 572201894 /nfs/dbraw/zinc/20/18/94/572201894.db2.gz HUQNYPWJXIHSIO-ONUIUJJFSA-N 0 1 580.662 5.693 40 10 KKCBMN CCOc1cc(COc2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408540521 572206108 /nfs/dbraw/zinc/20/61/08/572206108.db2.gz SVCLYMDEVWYNPG-IMRQLAEWSA-N 0 1 594.689 6.083 40 10 KKCBMN CCOc1cc(COc2c(Br)cc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408540760 572206433 /nfs/dbraw/zinc/20/64/33/572206433.db2.gz VQTVEXQPYKUDOG-QQXSKIMKSA-N 0 1 673.585 6.846 40 10 KKCBMN Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)ccc1NC(=O)c1ccc(Cl)cc1 ZINC000408611864 572276650 /nfs/dbraw/zinc/27/66/50/572276650.db2.gz XDNBYMWCCNHNMT-UHFFFAOYSA-N 0 1 539.440 6.586 40 10 KKCBMN Cc1cccc(NC(=O)Cn2cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)c3ccccc32)c1 ZINC000409137042 1069787792 /nfs/dbraw/zinc/78/77/92/1069787792.db2.gz UTDIENVOLCTSSC-BUVRLJJBSA-N 0 1 522.630 5.037 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408771381 1069871641 /nfs/dbraw/zinc/87/16/41/1069871641.db2.gz GAEVZCHPISUQJC-MFKUBSTISA-N 0 1 597.609 5.843 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Cl)c3)C(=O)NC2=S)cc1C ZINC000408775215 1069892141 /nfs/dbraw/zinc/89/21/41/1069892141.db2.gz RIFRFXNCPZFJSR-VCHYOVAHSA-N 0 1 575.952 6.507 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408775243 1069892176 /nfs/dbraw/zinc/89/21/76/1069892176.db2.gz ROHVUKARKUMYKD-MFKUBSTISA-N 0 1 611.636 6.151 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000408779363 1069900620 /nfs/dbraw/zinc/90/06/20/1069900620.db2.gz VMUXARJVTNEUGL-FYJGNVAPSA-N 0 1 555.441 5.147 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cn(CCSc2ccc(Cl)cc2)c2ccccc12 ZINC000408780259 1069902917 /nfs/dbraw/zinc/90/29/17/1069902917.db2.gz AEPRMERSMHFENU-RCCKNPSSSA-N 0 1 536.053 6.057 40 10 KKCBMN COC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Br)c4)C3=O)c1C)CCCC2 ZINC000408784873 1069912178 /nfs/dbraw/zinc/91/21/78/1069912178.db2.gz CVOVFJWYRVZORV-UDWIEESQSA-N 0 1 598.544 5.415 40 10 KKCBMN O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000408786540 1069921446 /nfs/dbraw/zinc/92/14/46/1069921446.db2.gz KEPXLHKMMIIFIJ-VGOFMYFVSA-N 0 1 616.788 7.197 40 10 KKCBMN CCOc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(I)cc4)c(OC)c3)C(=O)NC2=S)c1 ZINC000408786926 1069923171 /nfs/dbraw/zinc/92/31/71/1069923171.db2.gz XWMACCQSSBUQBD-LPYMAVHISA-N 0 1 614.461 5.109 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4)c4ccccc34)C(=O)NC2=S)cc1Cl ZINC000408806992 1069942714 /nfs/dbraw/zinc/94/27/14/1069942714.db2.gz BTLQRFWVEKKSFQ-WSDLNYQXSA-N 0 1 520.441 6.136 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)C(=O)NC2=S)cc1Cl ZINC000408817343 1069974809 /nfs/dbraw/zinc/97/48/09/1069974809.db2.gz XPCDULTUMUZYQT-UFFVCSGVSA-N 0 1 554.886 6.790 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(OCc2ccc(I)cc2)c(I)c1 ZINC000408845602 1070051890 /nfs/dbraw/zinc/05/18/90/1070051890.db2.gz GRXLLPKQQDKLCC-MHWRWJLKSA-N 0 1 735.168 6.613 40 10 KKCBMN COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c1C ZINC000408852572 1070059468 /nfs/dbraw/zinc/05/94/68/1070059468.db2.gz UJILEDPEYBFOFJ-MHWRWJLKSA-N 0 1 534.852 5.894 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(I)c1 ZINC000408854155 1070071706 /nfs/dbraw/zinc/07/17/06/1070071706.db2.gz YQKPNSULVSBLCE-MKMNVTDBSA-N 0 1 732.177 6.500 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1Cc1cccc(F)c1 ZINC000408868257 1070089465 /nfs/dbraw/zinc/08/94/65/1070089465.db2.gz OZESFSAJPQZWME-NDENLUEZSA-N 0 1 525.399 5.019 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1Cc1cc(C)cc(C)c1 ZINC000408870915 1070094816 /nfs/dbraw/zinc/09/48/16/1070094816.db2.gz XJGHFHZHNUUAAY-UCQKPKSFSA-N 0 1 505.039 5.778 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000408873439 1070099026 /nfs/dbraw/zinc/09/90/26/1070099026.db2.gz RGTQEIKRKDDJGL-MOSHPQCFSA-N 0 1 584.435 5.100 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408919145 1070234725 /nfs/dbraw/zinc/23/47/25/1070234725.db2.gz UAROKQDFPYXXPM-NVMNQCDNSA-N 0 1 579.864 6.595 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)c7ccccc7C6=O)cc5s4)o3)C(=O)NC2=S)cc1 ZINC000408992616 1070359634 /nfs/dbraw/zinc/35/96/34/1070359634.db2.gz SQAZSVCEIPTUTB-PXLXIMEGSA-N 0 1 622.709 5.981 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4cccc5cccnc54)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1Cl ZINC000408989003 1070361976 /nfs/dbraw/zinc/36/19/76/1070361976.db2.gz GKWCXOVTPXAWKI-XDHOZWIPSA-N 0 1 561.044 6.087 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)s1 ZINC000409018451 1070393267 /nfs/dbraw/zinc/39/32/67/1070393267.db2.gz MFOMCLWFTQXHBL-GXDHUFHOSA-N 0 1 525.891 6.691 40 10 KKCBMN Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)NC1=S ZINC000409099501 1070532709 /nfs/dbraw/zinc/53/27/09/1070532709.db2.gz NUTJHUYLEBONRN-FYJGNVAPSA-N 0 1 503.986 5.622 40 10 KKCBMN Cc1cccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccccc4)c3-c3ccccc3)C(=O)NC2=S)c1C ZINC000409132102 1070550911 /nfs/dbraw/zinc/55/09/11/1070550911.db2.gz LDPXLAUPXSWAES-ANYBSYGZSA-N 0 1 553.687 7.259 40 10 KKCBMN O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(CCOc2ccccc2)c2ccc(Br)cc12 ZINC000409139299 1070562839 /nfs/dbraw/zinc/56/28/39/1070562839.db2.gz CKAATWPLNBWTEZ-BUVRLJJBSA-N 0 1 544.405 5.145 40 10 KKCBMN COc1ccccc1N1C(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)C(=O)NC1=S ZINC000409172114 1070587763 /nfs/dbraw/zinc/58/77/63/1070587763.db2.gz HVPQHOJBWBPGNU-OOAXWGSJSA-N 0 1 590.104 7.305 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12 ZINC000409241014 1070667918 /nfs/dbraw/zinc/66/79/18/1070667918.db2.gz WFIFOZNXPHNTNK-LFVJCYFKSA-N 0 1 522.029 6.328 40 10 KKCBMN Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2Br)cc1Cl ZINC000409256588 1070676133 /nfs/dbraw/zinc/67/61/33/1070676133.db2.gz PLTMVRMYWNHTMG-NVMNQCDNSA-N 0 1 663.775 6.022 40 10 KKCBMN Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Cl ZINC000409261705 1070697685 /nfs/dbraw/zinc/69/76/85/1070697685.db2.gz CYRVUABZXDAUAU-NDENLUEZSA-N 0 1 584.879 5.260 40 10 KKCBMN Cc1ccc(COc2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2Br)cc1C ZINC000408881176 1070784681 /nfs/dbraw/zinc/78/46/81/1070784681.db2.gz IIQNHZWLCSPUCA-BKUYFWCQSA-N 0 1 521.436 5.476 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408880494 1070787604 /nfs/dbraw/zinc/78/76/04/1070787604.db2.gz KEXSOJLTQLVBFF-NDENLUEZSA-N 0 1 602.425 5.239 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408877321 1070808669 /nfs/dbraw/zinc/80/86/69/1070808669.db2.gz USNDYTRAPRUUPP-ZDLGFXPLSA-N 0 1 561.874 6.456 40 10 KKCBMN COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409339210 1070862151 /nfs/dbraw/zinc/86/21/51/1070862151.db2.gz FRHNYZZEJCYMHM-YBFXNURJSA-N 0 1 642.949 6.140 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc(Cl)cc3Cl)C(=O)NC2=S)cc1 ZINC000409375525 1070888668 /nfs/dbraw/zinc/88/86/68/1070888668.db2.gz MBNHLKHONRNZON-FYJGNVAPSA-N 0 1 511.430 5.966 40 10 KKCBMN COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc(Br)cc1Br ZINC000409409505 1070927250 /nfs/dbraw/zinc/92/72/50/1070927250.db2.gz VVAMDFFIKPHAAP-UNOMPAQXSA-N 0 1 558.226 5.261 40 10 KKCBMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408916899 1070996133 /nfs/dbraw/zinc/99/61/33/1070996133.db2.gz IEHGCNGBMCJOTG-PDGQHHTCSA-N 0 1 501.366 5.543 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408916674 1070999655 /nfs/dbraw/zinc/99/96/55/1070999655.db2.gz FYCJVNLAMUDKBF-IUXPMGMMSA-N 0 1 657.288 6.156 40 10 KKCBMN Cc1ccc(Sc2oc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)cc2Br)cc1 ZINC000408912379 1071023983 /nfs/dbraw/zinc/02/39/83/1071023983.db2.gz FMDOLVFQLYWFGT-WOJGMQOQSA-N 0 1 527.465 5.950 40 10 KKCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(I)cc1 ZINC000408694220 1071388555 /nfs/dbraw/zinc/38/85/55/1071388555.db2.gz GFMAUWLBQLYTKB-XDHOZWIPSA-N 0 1 595.231 5.037 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(Br)cc1OCc1ccc(Br)cc1 ZINC000408694629 1071387925 /nfs/dbraw/zinc/38/79/25/1071387925.db2.gz KZUXILIMTOFZGN-YBFXNURJSA-N 0 1 592.284 5.594 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000408694472 1071388021 /nfs/dbraw/zinc/38/80/21/1071388021.db2.gz IDIZYURWFRCNHG-OEAKJJBVSA-N 0 1 563.448 5.984 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408692480 1071393902 /nfs/dbraw/zinc/39/39/02/1071393902.db2.gz NHORZGWRKSUDIN-YBFXNURJSA-N 0 1 547.833 5.485 40 10 KKCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc32)c(I)c1 ZINC000408692439 1071395376 /nfs/dbraw/zinc/39/53/76/1071395376.db2.gz MKTBJFAPGRGCJP-HYARGMPZSA-N 0 1 566.395 5.428 40 10 KKCBMN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)c2C)c1 ZINC000408967002 1071407134 /nfs/dbraw/zinc/40/71/34/1071407134.db2.gz OQRJRBXBOSDGMD-UDWIEESQSA-N 0 1 542.444 5.409 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000408967827 1071464344 /nfs/dbraw/zinc/46/43/44/1071464344.db2.gz VCQJPUIKGFUYGJ-ZDLGFXPLSA-N 0 1 593.849 5.631 40 10 KKCBMN CSc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1C(=O)N1CCCCC1 ZINC000408714539 1071475205 /nfs/dbraw/zinc/47/52/05/1071475205.db2.gz BBNYSNLMZSDFLY-UHFFFAOYSA-N 0 1 529.083 5.720 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000408723650 1071527623 /nfs/dbraw/zinc/52/76/23/1071527623.db2.gz YWRMDSRMUWFHNE-GIJQJNRQSA-N 0 1 606.723 6.275 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408722420 1071533400 /nfs/dbraw/zinc/53/34/00/1071533400.db2.gz IQFYNWKYDVFHQI-YBFXNURJSA-N 0 1 606.325 6.565 40 10 KKCBMN CCOc1cc(OCC)c(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1Br ZINC000408722503 1071534046 /nfs/dbraw/zinc/53/40/46/1071534046.db2.gz JSANSMOEOUGFPH-NTUHNPAUSA-N 0 1 544.254 5.385 40 10 KKCBMN COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(OC4CSC4)c2)N3)c1 ZINC000408994645 1071557929 /nfs/dbraw/zinc/55/79/29/1071557929.db2.gz GXUBAYAQQQPUQT-CTVOUCONSA-N 0 1 550.702 5.825 40 10 KKCBMN O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccc2nc(Sc3ccc(/C=C4\C(=O)NC(=S)N(c5ccccc5)C4=O)cc3[N+](=O)[O-])sc2c1 ZINC000408993845 1071562804 /nfs/dbraw/zinc/56/28/04/1071562804.db2.gz XFQPYCOIPQQBCX-YZYHJUNBSA-N 0 1 669.766 5.867 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)[C@H]7CCCC[C@@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1 ZINC000408992975 1071568211 /nfs/dbraw/zinc/56/82/11/1071568211.db2.gz UHVBFHIRIOQBQE-FGKIGFKSSA-N 0 1 683.793 6.175 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)c(C)c1 ZINC000408992887 1071570092 /nfs/dbraw/zinc/57/00/92/1071570092.db2.gz UBHVDGFTPNXBML-LICLKQGHSA-N 0 1 591.652 5.712 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(NC(=O)c6ccccc6Cl)cc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1 ZINC000408992288 1071574131 /nfs/dbraw/zinc/57/41/31/1071574131.db2.gz RGKNWMSXHPYHGZ-HYARGMPZSA-N 0 1 686.196 7.401 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1c(C)cc(C)cc1C ZINC000408990193 1071591143 /nfs/dbraw/zinc/59/11/43/1071591143.db2.gz NFLCXLSRHXHZBL-ZVHZXABRSA-N 0 1 514.647 5.648 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4cccc5cccnc54)o3)C(=O)NC2=S)cc1Cl ZINC000408989359 1071597833 /nfs/dbraw/zinc/59/78/33/1071597833.db2.gz HNRKLSVHZREQGY-QGOAFFKASA-N 0 1 506.008 5.772 40 10 KKCBMN Cc1cccc(N2C(=O)/C(=C/c3ccc(Sc4cccc5cccnc54)c([N+](=O)[O-])c3)C(=O)NC2=S)c1 ZINC000408989351 1071598031 /nfs/dbraw/zinc/59/80/31/1071598031.db2.gz HMESMCMNOQIFHA-XSFVSMFZSA-N 0 1 526.599 5.434 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)[C@@H]7CCCC[C@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1Cl ZINC000408988104 1071606776 /nfs/dbraw/zinc/60/67/76/1071606776.db2.gz CNTPEVJONPFKEC-YITPPGKRSA-N 0 1 718.238 6.828 40 10 KKCBMN O=C1C(=Cc2cc(Br)c(O)c(I)c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408738142 1071610476 /nfs/dbraw/zinc/61/04/76/1071610476.db2.gz QJWUOEQOHVLHQS-UHFFFAOYSA-N 0 1 605.251 5.508 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000408744047 1071616791 /nfs/dbraw/zinc/61/67/91/1071616791.db2.gz YJSLWGOZGAWJFR-ZDLGFXPLSA-N 0 1 563.304 6.303 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408995697 1071621537 /nfs/dbraw/zinc/62/15/37/1071621537.db2.gz KRRPKZDABLQDAW-LICLKQGHSA-N 0 1 699.248 7.554 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408742542 1071620644 /nfs/dbraw/zinc/62/06/44/1071620644.db2.gz RNBCPFYVIFFCFH-DJKKODMXSA-N 0 1 653.325 6.325 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000408742495 1071621200 /nfs/dbraw/zinc/62/12/00/1071621200.db2.gz RHOQZAKRVIWRCE-NVMNQCDNSA-N 0 1 549.277 5.995 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(Br)c1 ZINC000408742047 1071622821 /nfs/dbraw/zinc/62/28/21/1071622821.db2.gz OYOIVWMPQYRQQB-YBFXNURJSA-N 0 1 572.278 5.622 40 10 KKCBMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000408741698 1071623869 /nfs/dbraw/zinc/62/38/69/1071623869.db2.gz RPUQBHMJVNOJFF-VFCFBJKWSA-N 0 1 604.529 7.405 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000408741043 1071627883 /nfs/dbraw/zinc/62/78/83/1071627883.db2.gz JOYPJPMJQDPTKP-LPYMAVHISA-N 0 1 522.468 5.613 40 10 KKCBMN Cc1nn(-c2ccccc2)c(C)c1N=Cc1c(C)[nH]n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1=O ZINC000408756987 1071634313 /nfs/dbraw/zinc/63/43/13/1071634313.db2.gz LATRKWSKELILQN-VUTHCHCSSA-N 0 1 505.666 6.675 40 10 KKCBMN O=C(N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1)OCc1ccccc1 ZINC000409003550 1071636658 /nfs/dbraw/zinc/63/66/58/1071636658.db2.gz SPIOEHRHYOKXRB-ZZYOEZNTSA-N 0 1 746.343 7.493 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OS(=O)(=O)c4ccc(C)cc4)c(Br)c3)C(=O)NC2=S)cc1 ZINC000408755454 1071644823 /nfs/dbraw/zinc/64/48/23/1071644823.db2.gz UZSPXTIMVJFERL-ODLFYWEKSA-N 0 1 666.369 5.128 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(Sc4ccccc4)o3)C(=O)NC2=S)cc1 ZINC000408997621 1071662784 /nfs/dbraw/zinc/66/27/84/1071662784.db2.gz NOIDARLOFHZNGF-LDADJPATSA-N 0 1 513.438 5.587 40 10 KKCBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3cn(Cc4cccc5ccccc54)c4ccccc34)C(=O)NC2=S)c1 ZINC000409020404 1071726593 /nfs/dbraw/zinc/72/65/93/1071726593.db2.gz OWSOJEKHHMBJST-OGLMXYFKSA-N 0 1 515.638 6.291 40 10 KKCBMN CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc1Cl ZINC000409019950 1071727954 /nfs/dbraw/zinc/72/79/54/1071727954.db2.gz LAXJSGBJWCBCCZ-RKPNYOAGSA-N 0 1 507.837 5.420 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1cccc(C)c1 ZINC000408762549 1071735072 /nfs/dbraw/zinc/73/50/72/1071735072.db2.gz PDOWTTBEPVIQJI-FYJGNVAPSA-N 0 1 508.441 5.305 40 10 KKCBMN CCOc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)C(=O)NC2=S)c1 ZINC000408777127 1071745128 /nfs/dbraw/zinc/74/51/28/1071745128.db2.gz VPMBMOIZDLAAIQ-PCLIKHOPSA-N 0 1 501.652 5.622 40 10 KKCBMN CCOc1cccc(N2C(=O)/C(=C/c3cn(CCSc4ccc(Cl)cc4)c4ccccc34)C(=O)NC2=S)c1 ZINC000408775684 1071753577 /nfs/dbraw/zinc/75/35/77/1071753577.db2.gz IYIRVBWQSFQANO-PCLIKHOPSA-N 0 1 562.116 6.317 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000408774244 1071762249 /nfs/dbraw/zinc/76/22/49/1071762249.db2.gz CGSKLGZEXSDYGL-FYJGNVAPSA-N 0 1 555.441 5.147 40 10 KKCBMN O=C(OC1C(=O)N(c2ccc(N=Nc3ccccc3)cc2)C(=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000409279890 1071778371 /nfs/dbraw/zinc/77/83/71/1071778371.db2.gz ADHXSHQRULQVPF-NJYHHYNCSA-N 0 1 519.513 5.426 40 10 KKCBMN O=C(O[C@H]1C(=O)N(c2ccc(N=Nc3ccccc3)cc2)C(=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000409279890 1071778380 /nfs/dbraw/zinc/77/83/80/1071778380.db2.gz ADHXSHQRULQVPF-NJYHHYNCSA-N 0 1 519.513 5.426 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000408781737 1071815511 /nfs/dbraw/zinc/81/55/11/1071815511.db2.gz FNCWXMPZLSWCLC-DJKKODMXSA-N 0 1 636.749 6.284 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)c3C)C(=O)NC2=S)cc1 ZINC000408781060 1071821205 /nfs/dbraw/zinc/82/12/05/1071821205.db2.gz QWIOPDIXXBHSJQ-KBVAKVRCSA-N 0 1 563.767 6.956 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408777985 1071841450 /nfs/dbraw/zinc/84/14/50/1071841450.db2.gz NNTXLJJEJXKSGS-WKULSOCRSA-N 0 1 628.636 7.464 40 10 KKCBMN COC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)NC(=S)N(c4cc(C)cc(C)c4)C3=O)c1C)CCCC2 ZINC000408784652 1071863306 /nfs/dbraw/zinc/86/33/06/1071863306.db2.gz VQFYUWZTTQMLGU-HYARGMPZSA-N 0 1 547.702 5.269 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3cn(CCSc4ccc(Cl)cc4)c4ccccc34)C(=O)NC2=S)cc1 ZINC000408784822 1071862035 /nfs/dbraw/zinc/86/20/35/1071862035.db2.gz VOCYYJJRHOMAOL-LFVJCYFKSA-N 0 1 532.090 6.227 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408784200 1071866191 /nfs/dbraw/zinc/86/61/91/1071866191.db2.gz UMWWXYMDVBPVJB-FYJGNVAPSA-N 0 1 652.472 6.841 40 10 KKCBMN CCOc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)c3C)C(=O)NC2=S)c1 ZINC000408783283 1071871114 /nfs/dbraw/zinc/87/11/14/1071871114.db2.gz MCSREGPQLRZAQU-WCMJOSRZSA-N 0 1 579.766 6.792 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000408788007 1071900237 /nfs/dbraw/zinc/90/02/37/1071900237.db2.gz CBIJZLADXYWXFT-LICLKQGHSA-N 0 1 515.378 5.140 40 10 KKCBMN Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)NC1=S ZINC000409066459 1071995446 /nfs/dbraw/zinc/99/54/46/1071995446.db2.gz AUEVFUKFAMMYAY-RGVLZGJSSA-N 0 1 554.886 6.790 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409070032 1072097919 /nfs/dbraw/zinc/09/79/19/1072097919.db2.gz KJNHCPDSKHTGDE-AFUMVMLFSA-N 0 1 624.977 7.773 40 10 KKCBMN Cc1c(Cl)cccc1N1C(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)C(=O)NC1=S ZINC000409094829 1072242953 /nfs/dbraw/zinc/24/29/53/1072242953.db2.gz ADMPYABJORMWOY-DIBXZPPDSA-N 0 1 608.550 8.258 40 10 KKCBMN CC[NH+](CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4Cl)C3=O)c2C)cc1 ZINC000409102112 1072311359 /nfs/dbraw/zinc/31/13/59/1072311359.db2.gz COMQYQNVAXHKQF-RCCKNPSSSA-N 0 1 525.436 5.914 40 10 KKCBMN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000409335673 1072337554 /nfs/dbraw/zinc/33/75/54/1072337554.db2.gz YINJWQUYCGQMLV-UDWIEESQSA-N 0 1 656.976 6.530 40 10 KKCBMN COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1C ZINC000409331486 1072368250 /nfs/dbraw/zinc/36/82/50/1072368250.db2.gz OGXNBVDLLVKZQO-WSDLNYQXSA-N 0 1 632.583 5.700 40 10 KKCBMN COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc(I)c1OCc1ccccc1F ZINC000409345140 1072427486 /nfs/dbraw/zinc/42/74/86/1072427486.db2.gz JYJBBWOHKOHHNP-YBFXNURJSA-N 0 1 626.494 5.626 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4cccc(Cl)c4)c(OC)c3)C2=O)cc1OC ZINC000409126552 1072451571 /nfs/dbraw/zinc/45/15/71/1072451571.db2.gz CITOFHUDAYPCIW-WSDLNYQXSA-N 0 1 599.467 6.040 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3c(OCc4ccc(Cl)cc4Cl)ccc4ccccc43)C2=O)cc1OC ZINC000409125371 1072460242 /nfs/dbraw/zinc/46/02/42/1072460242.db2.gz FCFJAYADHILZLZ-YZSQISJMSA-N 0 1 619.501 7.185 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC)c(Br)c3)C2=O)cc1OC ZINC000409123889 1072469122 /nfs/dbraw/zinc/46/91/22/1072469122.db2.gz IVWCWJBALSRTNJ-CXUHLZMHSA-N 0 1 596.272 5.070 40 10 KKCBMN Cc1cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409338919 1072481926 /nfs/dbraw/zinc/48/19/26/1072481926.db2.gz QRTXEIYGJGYEKK-NVMNQCDNSA-N 0 1 508.477 6.009 40 10 KKCBMN COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000409338521 1072483634 /nfs/dbraw/zinc/48/36/34/1072483634.db2.gz LHGBBALUWVNQKZ-KEBDBYFISA-N 0 1 638.974 5.736 40 10 KKCBMN COc1cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409338194 1072488854 /nfs/dbraw/zinc/48/88/54/1072488854.db2.gz FOZPZBVNJGTPOC-UCQKPKSFSA-N 0 1 567.714 5.444 40 10 KKCBMN Cc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C(=O)NC2=S)c1C ZINC000409134698 1072490033 /nfs/dbraw/zinc/49/00/33/1072490033.db2.gz SWCIGNUYUZRXCZ-BOPFTXTBSA-N 0 1 526.368 5.065 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)cc(Cl)c3OCCC)C2=O)cc1OC ZINC000409133988 1072495079 /nfs/dbraw/zinc/49/50/79/1072495079.db2.gz OEZNLLYTIURJRF-LDADJPATSA-N 0 1 521.397 5.242 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)C2=O)cc1OC ZINC000409131336 1072509414 /nfs/dbraw/zinc/50/94/14/1072509414.db2.gz IPLDIWMCDSUNNI-SRZZPIQSSA-N 0 1 614.438 5.940 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccccc4Cl)c(OC)c3)C2=O)cc1OC ZINC000409131046 1072511542 /nfs/dbraw/zinc/51/15/42/1072511542.db2.gz JJROGOREISTJME-CIAFOILYSA-N 0 1 599.467 6.040 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)c(Br)c3)C2=O)cc1OC ZINC000409130221 1072516101 /nfs/dbraw/zinc/51/61/01/1072516101.db2.gz MDUYXSMMCSELGK-LPYMAVHISA-N 0 1 613.892 6.141 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Br)cc(Br)c3OCc3ccccc3)C2=O)cc1OC ZINC000409129566 1072518659 /nfs/dbraw/zinc/51/86/59/1072518659.db2.gz GXXOMIHDIGJSGJ-HYARGMPZSA-N 0 1 658.343 6.250 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccccc4Cl)c3)C2=O)cc1OC ZINC000409129416 1072520883 /nfs/dbraw/zinc/52/08/83/1072520883.db2.gz GPVJWOCXWYEXRO-HAHDFKILSA-N 0 1 534.996 5.378 40 10 KKCBMN O=C(NN1C(=O)/C(=C\c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)SC1=S)c1cccs1 ZINC000409351131 1072538588 /nfs/dbraw/zinc/53/85/88/1072538588.db2.gz ZQUISPVXIKNVBB-VCHYOVAHSA-N 0 1 644.819 7.052 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Cl)cc(Cl)c3OCc3cccc4ccccc43)C2=O)cc1OC ZINC000409142008 1072550149 /nfs/dbraw/zinc/55/01/49/1072550149.db2.gz KUIBGFSMDWUERJ-WGOQTCKBSA-N 0 1 619.501 7.185 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCCC)c(Br)c3)C2=O)cc1OC ZINC000409141438 1072553111 /nfs/dbraw/zinc/55/31/11/1072553111.db2.gz VFHWWWFCAUSKMD-LICLKQGHSA-N 0 1 610.299 5.460 40 10 KKCBMN O=C(NN1C(=O)/C(=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)SC1=S)c1cccs1 ZINC000409349146 1072553389 /nfs/dbraw/zinc/55/33/89/1072553389.db2.gz VBXRTKUZEHPIMN-VXLYETTFSA-N 0 1 521.472 6.180 40 10 KKCBMN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409348602 1072555540 /nfs/dbraw/zinc/55/55/40/1072555540.db2.gz PDCHOWVYLQOHTC-RGVLZGJSSA-N 0 1 644.421 7.341 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000409140518 1072558236 /nfs/dbraw/zinc/55/82/36/1072558236.db2.gz FEQRMLHEGOHSBT-MFKUBSTISA-N 0 1 567.627 5.638 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Br)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409138566 1072569820 /nfs/dbraw/zinc/56/98/20/1072569820.db2.gz DUFSVBZICKYOTL-BUVRLJJBSA-N 0 1 623.500 5.886 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4ccccc4Cl)c(OC)c3)C2=O)cc1OC ZINC000409138373 1072570782 /nfs/dbraw/zinc/57/07/82/1072570782.db2.gz ATBWFMZSIKGXQQ-CIAFOILYSA-N 0 1 690.918 5.992 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C)cc4)c(Br)c3)C2=O)cc1OC ZINC000409137476 1072574801 /nfs/dbraw/zinc/57/48/01/1072574801.db2.gz WRSARARVQLCPAK-OEAKJJBVSA-N 0 1 593.474 5.796 40 10 KKCBMN Cc1cccc(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)C(=O)NC2=S)c1C ZINC000409145815 1072585017 /nfs/dbraw/zinc/58/50/17/1072585017.db2.gz RXNUZMVHAOJNNW-FYJGNVAPSA-N 0 1 534.468 6.445 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409375539 1072624152 /nfs/dbraw/zinc/62/41/52/1072624152.db2.gz MHTGKNQFZRKLLY-LPYMAVHISA-N 0 1 646.934 6.316 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OCc4ccccc4)cc3Br)C(=O)NC2=S)cc1 ZINC000409377175 1072626604 /nfs/dbraw/zinc/62/66/04/1072626604.db2.gz GOSHEAFHWXGXCO-FYJGNVAPSA-N 0 1 551.462 5.430 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Br)cc(Br)c3OCc3ccc(Cl)cc3Cl)C2=O)cc1OC ZINC000409149144 1072637722 /nfs/dbraw/zinc/63/77/22/1072637722.db2.gz YBHRDRNQGHYYBS-SRZZPIQSSA-N 0 1 727.233 7.557 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)cc(Br)c3OCCC)C2=O)cc1OC ZINC000409148729 1072640466 /nfs/dbraw/zinc/64/04/66/1072640466.db2.gz QYCCQNVPTQVHMA-LDADJPATSA-N 0 1 610.299 5.460 40 10 KKCBMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc2ccccc2c1 ZINC000409373296 1072641949 /nfs/dbraw/zinc/64/19/49/1072641949.db2.gz GSONIJSDFIKCJH-OEAKJJBVSA-N 0 1 531.362 5.436 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4ccccc4F)c(OCC)c3)C2=O)cc1OC ZINC000409147687 1072646936 /nfs/dbraw/zinc/64/69/36/1072646936.db2.gz VSNKPAYXBIUNBJ-LPYMAVHISA-N 0 1 688.490 5.867 40 10 KKCBMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc32)c(Br)c1 ZINC000409371788 1072647773 /nfs/dbraw/zinc/64/77/73/1072647773.db2.gz HYQYVRQLEVZZRM-LPYMAVHISA-N 0 1 531.362 5.436 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4cccc(Cl)c4)c(OC)c3)C2=O)cc1OC ZINC000409147536 1072647936 /nfs/dbraw/zinc/64/79/36/1072647936.db2.gz MQHMQUDIZIXHLL-WSDLNYQXSA-N 0 1 643.918 6.150 40 10 KKCBMN CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)NC(=O)N(Cc4ccco4)C3=O)c2-c2ccccc2)cc1 ZINC000409371752 1072648603 /nfs/dbraw/zinc/64/86/03/1072648603.db2.gz HENGLNZATALFJD-BRPDVVIDSA-N 0 1 585.616 6.243 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4Cl)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409371377 1072649165 /nfs/dbraw/zinc/64/91/65/1072649165.db2.gz WFMMHHVWYRCFGQ-KGENOOAVSA-N 0 1 507.011 5.321 40 10 KKCBMN COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)C(=O)NC1=S ZINC000409165902 1072653179 /nfs/dbraw/zinc/65/31/79/1072653179.db2.gz ALDHATQUSDOGHG-GZTJUZNOSA-N 0 1 500.407 5.241 40 10 KKCBMN O=C(COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1Cl)Nc1ccccc1F ZINC000409370099 1072655872 /nfs/dbraw/zinc/65/58/72/1072655872.db2.gz KZNOPQWETGXORM-GZTJUZNOSA-N 0 1 588.842 5.090 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCc4cccc(F)c4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409379104 1072671448 /nfs/dbraw/zinc/67/14/48/1072671448.db2.gz UDZWGPVICOJETK-CIAFOILYSA-N 0 1 525.001 5.460 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccc(Cl)cc3Cl)C(=O)NC2=S)cc1 ZINC000409378834 1072673050 /nfs/dbraw/zinc/67/30/50/1072673050.db2.gz SETCYQSTWFMXJG-CIAFOILYSA-N 0 1 590.326 6.729 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc(Cl)cc4)c3-c3ccccc3)C(=O)NC2=S)cc1 ZINC000409378608 1072675682 /nfs/dbraw/zinc/67/56/82/1072675682.db2.gz QPLJHAZLDGGOFG-OFWBYEQRSA-N 0 1 588.132 7.858 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000409387098 1072684027 /nfs/dbraw/zinc/68/40/27/1072684027.db2.gz NRDXIKMNWNPTDB-HYARGMPZSA-N 0 1 565.489 5.821 40 10 KKCBMN CC[C@@H](C)Oc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000409385363 1072692990 /nfs/dbraw/zinc/69/29/90/1072692990.db2.gz HZJUZJITAIKUPT-LLUUXILJSA-N 0 1 513.830 5.664 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(O[C@@H](C)CC)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409384506 1072697417 /nfs/dbraw/zinc/69/74/17/1072697417.db2.gz CKAANFDASXDUJI-BGARDKSCSA-N 0 1 517.445 5.029 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccccc3F)C(=O)NC2=S)cc1 ZINC000409380173 1072719168 /nfs/dbraw/zinc/71/91/68/1072719168.db2.gz JPIZCWHMTCDOTA-KGENOOAVSA-N 0 1 539.426 5.561 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCc1ccccc1 ZINC000409379688 1072721397 /nfs/dbraw/zinc/72/13/97/1072721397.db2.gz YKHAXDISLUJFRP-HYARGMPZSA-N 0 1 565.489 5.821 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccc(I)cc3)C(=O)NC2=S)cc1 ZINC000409389150 1072734698 /nfs/dbraw/zinc/73/46/98/1072734698.db2.gz ZNAMVJIAEDTJNO-HYARGMPZSA-N 0 1 647.332 6.026 40 10 KKCBMN COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)c2C)C(=O)NC1=S ZINC000409171558 1072739984 /nfs/dbraw/zinc/73/99/84/1072739984.db2.gz DOGCELMABIRVIY-HZHRSRAPSA-N 0 1 569.599 5.030 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409387822 1072742322 /nfs/dbraw/zinc/74/23/22/1072742322.db2.gz RCFDLLZYGJBPBY-LPYMAVHISA-N 0 1 566.035 5.620 40 10 KKCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc(OCc2ccc(Br)cc2Br)c1 ZINC000409404108 1072768292 /nfs/dbraw/zinc/76/82/92/1072768292.db2.gz CBDUQFHBPKYBKK-NDENLUEZSA-N 0 1 528.200 5.252 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1Br ZINC000409408582 1072814334 /nfs/dbraw/zinc/81/43/34/1072814334.db2.gz RLEMEJBPZWCGQE-GRSHGNNSSA-N 0 1 651.149 6.413 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000409408425 1072815470 /nfs/dbraw/zinc/81/54/70/1072815470.db2.gz QMXVADWNWVDGAK-NDENLUEZSA-N 0 1 511.347 5.027 40 10 KKCBMN Cc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Br)cc4Br)cc3)C(=O)NC2=S)c1C ZINC000409187357 1072823669 /nfs/dbraw/zinc/82/36/69/1072823669.db2.gz PJCXFTBUFNCQTF-CIAFOILYSA-N 0 1 600.332 6.239 40 10 KKCBMN COC(=O)c1c(C)c(C)sc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)c1C ZINC000409196106 1072834011 /nfs/dbraw/zinc/83/40/11/1072834011.db2.gz NHFMCMDVDJQDCP-CIAFOILYSA-N 0 1 521.664 5.007 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccccc4Cl)c(Cl)c3)C2=O)cc1OCC ZINC000409194718 1072841088 /nfs/dbraw/zinc/84/10/88/1072841088.db2.gz QRXOVQHZJNEIDO-CIAFOILYSA-N 0 1 617.913 7.075 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4cccc(F)c4)c(OCC)c3)C2=O)cc1OCC ZINC000409194615 1072842039 /nfs/dbraw/zinc/84/20/39/1072842039.db2.gz QEVBRIDJEDMOEO-ZVHZXABRSA-N 0 1 655.517 6.415 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccccc4Cl)c3)C2=O)cc1OCC ZINC000409194621 1072842471 /nfs/dbraw/zinc/84/24/71/1072842471.db2.gz QFKHVGGOHFZVIH-JLPGSUDCSA-N 0 1 549.023 5.769 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4cccc(Cl)c4)c(OC)c3)C2=O)cc1OCC ZINC000409193559 1072849351 /nfs/dbraw/zinc/84/93/51/1072849351.db2.gz GOMVPGNXFSXVGU-YDZHTSKRSA-N 0 1 657.945 6.540 40 10 KKCBMN COC(=O)c1c(C)c(C)sc1-n1c(C)cc(/C=C2/C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c1C ZINC000409193014 1072852604 /nfs/dbraw/zinc/85/26/04/1072852604.db2.gz AGBDOMFRQFGOPT-NDENLUEZSA-N 0 1 521.664 5.007 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409192844 1072853636 /nfs/dbraw/zinc/85/36/36/1072853636.db2.gz FXQGNAGRFCJFLL-ZVHZXABRSA-N 0 1 638.073 6.075 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409191803 1072859315 /nfs/dbraw/zinc/85/93/15/1072859315.db2.gz NPZXXNAVKAYFRT-ZVHZXABRSA-N 0 1 718.972 6.772 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccccc4F)c(OCC)c3)C2=O)cc1OCC ZINC000409191667 1072860866 /nfs/dbraw/zinc/86/08/66/1072860866.db2.gz ZZBYRHXFUDBVLR-OEAKJJBVSA-N 0 1 611.066 6.306 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCCC)c(Cl)c3)C2=O)cc1OCC ZINC000409191264 1072863979 /nfs/dbraw/zinc/86/39/79/1072863979.db2.gz FRBMVQVMFMMXHR-WOJGMQOQSA-N 0 1 535.424 5.632 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3cccc4ccccc43)C2=O)cc1OCC ZINC000409191230 1072864260 /nfs/dbraw/zinc/86/42/60/1072864260.db2.gz DVJBYUPUQXDAFD-TURZUDJPSA-N 0 1 599.083 6.922 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC)c(Br)c3)C2=O)cc1OCC ZINC000409190738 1072866880 /nfs/dbraw/zinc/86/68/80/1072866880.db2.gz VTGPNHZVDIBQLG-LICLKQGHSA-N 0 1 610.299 5.460 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3cccc(F)c3)C2=O)cc1OCC ZINC000409190342 1072870095 /nfs/dbraw/zinc/87/00/95/1072870095.db2.gz XGHXIEXPAQCWSK-LFVJCYFKSA-N 0 1 567.013 5.908 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Br)cc4)c(Cl)c3)C2=O)cc1OCC ZINC000409190083 1072872215 /nfs/dbraw/zinc/87/22/15/1072872215.db2.gz WAGFDNYMJOHHJO-OEAKJJBVSA-N 0 1 627.919 6.531 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(I)c(OS(=O)(=O)c4ccc(Cl)cc4)c(OC)c3)C2=O)cc1OCC ZINC000409189804 1072874515 /nfs/dbraw/zinc/87/45/15/1072874515.db2.gz IVPXVCZFRFZJEP-LPYMAVHISA-N 0 1 754.983 5.570 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccccc4)c3)C2=O)cc1OCC ZINC000409189421 1072877849 /nfs/dbraw/zinc/87/78/49/1072877849.db2.gz KZLQYLQGISWSOW-UQQQWYQISA-N 0 1 514.578 5.115 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4cccc(F)c4)c(OCC)c3)C2=O)cc1OCC ZINC000409188675 1072881961 /nfs/dbraw/zinc/88/19/61/1072881961.db2.gz JQIRGTUKNCCRET-ZVHZXABRSA-N 0 1 702.517 6.258 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4ccccc4)c(OC)c3)C2=O)cc1OCC ZINC000409187782 1072885943 /nfs/dbraw/zinc/88/59/43/1072885943.db2.gz CEPJLQZRWSNGTB-OEAKJJBVSA-N 0 1 670.500 5.728 40 10 KKCBMN O=C(NN1C(=O)/C(=C/c2cn(CCOc3ccccc3)c3ccccc23)SC1=S)c1cccs1 ZINC000409197995 1072932864 /nfs/dbraw/zinc/93/28/64/1072932864.db2.gz TYVDVDPAHXRFIU-JCMHNJIXSA-N 0 1 505.646 5.328 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000409229326 1073021159 /nfs/dbraw/zinc/02/11/59/1073021159.db2.gz NILHOASEHUVLLN-OEAKJJBVSA-N 0 1 525.596 6.242 40 10 KKCBMN Cc1ccccc1N1C(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)C(=O)NC1=S ZINC000409237289 1073033490 /nfs/dbraw/zinc/03/34/90/1073033490.db2.gz HTSOEGZMMBRZAS-RRAHZORUSA-N 0 1 618.556 7.714 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OC(C)C ZINC000409236890 1073034783 /nfs/dbraw/zinc/03/47/83/1073034783.db2.gz HWAHKHLCIADNDL-LZYBPNLTSA-N 0 1 584.863 5.270 40 10 KKCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000409235789 1073042798 /nfs/dbraw/zinc/04/27/98/1073042798.db2.gz BPVSQNGNQGGVQL-USHMODERSA-N 0 1 593.630 7.661 40 10 KKCBMN CC(C)c1ccc(N2C(=O)/C(=C/c3cn(CC(=O)Nc4ccc(Cl)cc4)c4ccccc34)C(=O)NC2=S)cc1 ZINC000409235310 1073044529 /nfs/dbraw/zinc/04/45/29/1073044529.db2.gz ZOLUKUYSFSTDAP-MFKUBSTISA-N 0 1 557.075 5.888 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000409235007 1073046483 /nfs/dbraw/zinc/04/64/83/1073046483.db2.gz ALYFCFRRSRKELI-CIAFOILYSA-N 0 1 512.462 6.356 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1C ZINC000409234863 1073046830 /nfs/dbraw/zinc/04/68/30/1073046830.db2.gz NKTXERYKTQHYCP-RGVLZGJSSA-N 0 1 528.512 5.161 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)C(=O)NC2=S)cc1Cl ZINC000409231808 1073063750 /nfs/dbraw/zinc/06/37/50/1073063750.db2.gz KVWFPRBFCVCNJP-VEILYXNESA-N 0 1 619.102 7.513 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000409231825 1073063876 /nfs/dbraw/zinc/06/38/76/1073063876.db2.gz KWTXXWAWCUGDHD-CVKSISIWSA-N 0 1 593.602 6.662 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1 ZINC000409231401 1073065352 /nfs/dbraw/zinc/06/53/52/1073065352.db2.gz CYHIBPUCLXRQEA-MTDXEUNCSA-N 0 1 535.669 6.121 40 10 KKCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1 ZINC000409231356 1073065459 /nfs/dbraw/zinc/06/54/59/1073065459.db2.gz CHERTUGAAKTPDW-VEILYXNESA-N 0 1 672.526 8.424 40 10 KKCBMN CC(=O)Nc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(C)C)cc4)C3=O)c2C)cc1 ZINC000409245153 1073085655 /nfs/dbraw/zinc/08/56/55/1073085655.db2.gz OCUPGLGSCYHJCW-MFKUBSTISA-N 0 1 500.624 5.007 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1cccc2ccccc21 ZINC000409243591 1073091693 /nfs/dbraw/zinc/09/16/93/1073091693.db2.gz TVNXMSDKKUUDHW-OEAKJJBVSA-N 0 1 500.023 6.040 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000409241588 1073100691 /nfs/dbraw/zinc/10/06/91/1073100691.db2.gz OTNAHLJHMBJWDJ-MHWRWJLKSA-N 0 1 504.826 5.886 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1 ZINC000409241328 1073102169 /nfs/dbraw/zinc/10/21/69/1073102169.db2.gz RFRQUBRAZJJGPI-XHPQRKPJSA-N 0 1 638.974 8.059 40 10 KKCBMN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(C)C)cc4)C3=O)c2C)c1 ZINC000409240309 1073109353 /nfs/dbraw/zinc/10/93/53/1073109353.db2.gz GLLRSPBNTBMNGG-PCLIKHOPSA-N 0 1 515.635 5.226 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000409240039 1073111371 /nfs/dbraw/zinc/11/13/71/1073111371.db2.gz OCKDAYHVWCJJSR-GIJQJNRQSA-N 0 1 563.304 6.303 40 10 KKCBMN CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1Br ZINC000409239052 1073116915 /nfs/dbraw/zinc/11/69/15/1073116915.db2.gz FYCRUJWBNHRKKJ-IYSPOMMRSA-N 0 1 501.446 5.581 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000409237924 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/nfs/dbraw/zinc/14/88/61/1073148861.db2.gz HCWNTPSUUFKPIH-QQXSKIMKSA-N 0 1 526.061 6.554 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000409255817 1073165829 /nfs/dbraw/zinc/16/58/29/1073165829.db2.gz ZTPMQFMVQSJONZ-IMRQLAEWSA-N 0 1 505.643 6.209 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000409254414 1073172302 /nfs/dbraw/zinc/17/23/02/1073172302.db2.gz XDKBICYQXZSULM-QOMWVZHYSA-N 0 1 560.078 7.296 40 10 KKCBMN COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2C)c1 ZINC000409253483 1073181166 /nfs/dbraw/zinc/18/11/66/1073181166.db2.gz UZNPNCWTEIEDJM-SRZZPIQSSA-N 0 1 541.551 5.039 40 10 KKCBMN Cc1ccc(C)c(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2Cl)c1 ZINC000409267253 1073195743 /nfs/dbraw/zinc/19/57/43/1073195743.db2.gz MUEXXFPIKAOPCD-ODLFYWEKSA-N 0 1 554.455 5.459 40 10 KKCBMN Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Cl ZINC000409265416 1073207194 /nfs/dbraw/zinc/20/71/94/1073207194.db2.gz UUPHBWZEUZBFCG-NDENLUEZSA-N 0 1 540.428 5.151 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409263846 1073216303 /nfs/dbraw/zinc/21/63/03/1073216303.db2.gz OTTOOMMCTGWWCC-BKUYFWCQSA-N 0 1 564.063 5.204 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C ZINC000409270293 1073272181 /nfs/dbraw/zinc/27/21/81/1073272181.db2.gz OYDDVLQUGGKUTQ-BKUYFWCQSA-N 0 1 564.063 5.204 40 10 KKCBMN Cc1c(Br)c(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000408851658 195491017 /nfs/dbraw/zinc/49/10/17/195491017.db2.gz LSXATFYPJUFQOM-UDWIEESQSA-N 0 1 573.310 5.759 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408853427 195495764 /nfs/dbraw/zinc/49/57/64/195495764.db2.gz SENDQYFDMGKVOV-MHWRWJLKSA-N 0 1 596.319 7.109 40 10 KKCBMN CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2ccc([O-])c(C[NH+]3CCN(c4ccc(C)cc4)CC3)c21 ZINC000015079896 553527262 /nfs/dbraw/zinc/52/72/62/553527262.db2.gz JELAANLHYBLTAI-UHFFFAOYSA-N 0 1 513.638 5.460 40 10 KKCBMN CC(Nc1ccc(-c2nc3ccc(C)cc3s2)cc1)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000020288325 553633044 /nfs/dbraw/zinc/63/30/44/553633044.db2.gz JYNVRFXVLUIJBE-HFTWOUSFSA-N 0 1 500.627 7.409 40 10 KKCBMN COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)C2=C(C)Nc2ccccc2-c2ccccc2)cc1 ZINC000020289102 553634332 /nfs/dbraw/zinc/63/43/32/553634332.db2.gz WKZKQRQEXRKXID-RRAHZORUSA-N 0 1 516.626 7.109 40 10 KKCBMN COC(=O)c1c2c(sc1-n1c(C)cc(C=C3C(=O)NC(=O)N(C4CCCCC4)C3=O)c1C)CCCC2 ZINC000033352843 553922519 /nfs/dbraw/zinc/92/25/19/553922519.db2.gz YMSXRWWMASNKMM-XSFVSMFZSA-N 0 1 509.628 5.456 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000100230441 554256386 /nfs/dbraw/zinc/25/63/86/554256386.db2.gz GDAUDYJKYXOGED-UDWIEESQSA-N 0 1 616.331 6.021 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000100230467 554256464 /nfs/dbraw/zinc/25/64/64/554256464.db2.gz KQARBXDOWVMQFM-GRSHGNNSSA-N 0 1 606.325 6.565 40 10 KKCBMN CCCOc1c(Br)cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc1OCC ZINC000100341273 554325746 /nfs/dbraw/zinc/32/57/46/554325746.db2.gz VOOWZWWHRSIJDP-LFIBNONCSA-N 0 1 527.487 5.244 40 10 KKCBMN COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC)cc2OC)N3)c1 ZINC000058849409 554368879 /nfs/dbraw/zinc/36/88/79/554368879.db2.gz AAEWBFHWFABQRR-GTNJKRJXSA-N 0 1 522.623 5.348 40 10 KKCBMN CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)ccc4OC)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058849665 554368963 /nfs/dbraw/zinc/36/89/63/554368963.db2.gz RFOMOJGYIXJQIZ-OREGWCPLSA-N 0 1 511.043 6.375 40 10 KKCBMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC(C)C)cc1)N2 ZINC000058849688 554369009 /nfs/dbraw/zinc/36/90/09/554369009.db2.gz CGPMTZBTEFZTNC-SXDGJLEOSA-N 0 1 525.070 6.763 40 10 KKCBMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2 ZINC000058849679 554369130 /nfs/dbraw/zinc/36/91/30/554369130.db2.gz IFIRXKKWKPSSMA-WZOHSFFVSA-N 0 1 511.987 5.884 40 10 KKCBMN COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(F)cccc2Cl)N3)c1 ZINC000058850318 554369818 /nfs/dbraw/zinc/36/98/18/554369818.db2.gz CUZJKSBHNITZQO-DFXHWTJYSA-N 0 1 515.006 6.124 40 10 KKCBMN Cc1c(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c2ccccc2n1Cc1ccccc1Cl ZINC000059136270 554382352 /nfs/dbraw/zinc/38/23/52/554382352.db2.gz IAORLFVRFANQPO-XSFVSMFZSA-N 0 1 503.986 6.462 40 10 KKCBMN Cc1ccc(Sc2ccc(C=C3C(=O)NC(=S)N(c4ccc(Br)cc4C)C3=O)o2)cc1 ZINC000059137953 554382480 /nfs/dbraw/zinc/38/24/80/554382480.db2.gz GWMXPOIBDLQURF-LDADJPATSA-N 0 1 513.438 6.482 40 10 KKCBMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1cccc(Cl)c1 ZINC000059198544 554385098 /nfs/dbraw/zinc/38/50/98/554385098.db2.gz QVTBJRKISVZIFF-RGVLZGJSSA-N 0 1 514.832 6.182 40 10 KKCBMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000100475579 554400684 /nfs/dbraw/zinc/40/06/84/554400684.db2.gz VQUFRMIAGAAJBQ-MHWRWJLKSA-N 0 1 532.759 5.102 40 10 KKCBMN COc1cccc(C(=O)[C@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(OC)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000103524707 555427886 /nfs/dbraw/zinc/42/78/86/555427886.db2.gz AQRVVDAYHJDXDL-UJCZQSIQSA-N 0 1 536.628 5.292 40 10 KKCBMN COc1ccc2c(c1)C=C[C@H]1N2[C@@H](C(=O)C(C)(C)C)C(=C(O)c2ccc3c(c2)OCO3)[C@]12C(=O)Nc1ccccc12 ZINC000103545075 555440111 /nfs/dbraw/zinc/44/01/11/555440111.db2.gz VJWPAUHYKSNSLW-UJCZQSIQSA-N 0 1 550.611 5.012 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000103792452 555481569 /nfs/dbraw/zinc/48/15/69/555481569.db2.gz ORXIPOKIPZPCIB-NLRVBDNBSA-N 0 1 594.762 6.426 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Cl)c1 ZINC000103851838 571365107 /nfs/dbraw/zinc/36/51/07/571365107.db2.gz XDIMZEJAJVLBLR-VIZOYTHASA-N 0 1 545.375 5.272 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(OCc2ccc3ccccc3c2)c(I)c1 ZINC000103851935 571365117 /nfs/dbraw/zinc/36/51/17/571365117.db2.gz PZZLNGJKVSZJBT-KGENOOAVSA-N 0 1 608.432 5.994 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000103852121 571365308 /nfs/dbraw/zinc/36/53/08/571365308.db2.gz KKYHQKORJGWBJB-FYJGNVAPSA-N 0 1 591.458 6.160 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000103852187 571365319 /nfs/dbraw/zinc/36/53/19/571365319.db2.gz ZRNCVYGFJQJFQS-LICLKQGHSA-N 0 1 575.843 5.661 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000103852629 571365455 /nfs/dbraw/zinc/36/54/55/571365455.db2.gz ZFVQTPQSVRUKSN-XDHOZWIPSA-N 0 1 569.452 5.706 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(Br)cc1OCc1ccc2ccccc2c1 ZINC000103852244 571365524 /nfs/dbraw/zinc/36/55/24/571365524.db2.gz AMQHILFXWIOWIK-FYJGNVAPSA-N 0 1 591.458 6.160 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000103853282 571365759 /nfs/dbraw/zinc/36/57/59/571365759.db2.gz IEGVDFGJDMHXLO-LDADJPATSA-N 0 1 529.362 5.138 40 10 KKCBMN Cc1cccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)c3ccccc32)c1 ZINC000103860303 571367416 /nfs/dbraw/zinc/36/74/16/571367416.db2.gz XIPWMEBWFDDSFB-OEAKJJBVSA-N 0 1 530.447 5.592 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000103860126 571367432 /nfs/dbraw/zinc/36/74/32/571367432.db2.gz DHYFKDJLIBVGAN-FYJGNVAPSA-N 0 1 582.432 5.166 40 10 KKCBMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000103869291 571368065 /nfs/dbraw/zinc/36/80/65/571368065.db2.gz LUKCXIKMDHCVIE-CXUHLZMHSA-N 0 1 554.274 6.331 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C/c3cc(Br)c(Sc4ccc(Cl)cc4)o3)C(=O)NC2=S)cc1 ZINC000103866370 571368113 /nfs/dbraw/zinc/36/81/13/571368113.db2.gz QEKUGDNSGBDHSE-LICLKQGHSA-N 0 1 549.855 5.687 40 10 KKCBMN CCCCCCC(=O)OCCN1CCN(CC/C=C2\c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 ZINC000104080003 571372375 /nfs/dbraw/zinc/37/23/75/571372375.db2.gz WLZFZDZUNVMQSV-YSURURNPSA-N 0 1 546.699 7.123 40 10 KKCBMN O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(Cc2ccccc2Cl)c2ccc(Br)cc12 ZINC000104882065 571387044 /nfs/dbraw/zinc/38/70/44/571387044.db2.gz FOJUZJJWBRBKPH-CIAFOILYSA-N 0 1 540.845 5.900 40 10 KKCBMN CCN1C(=O)NC(=O)/C(=C\c2cn(CCCOc3ccccc3Cl)c3ccc(Br)cc23)C1=O ZINC000104882503 571387158 /nfs/dbraw/zinc/38/71/58/571387158.db2.gz JESFOYOYJXWFLQ-LDADJPATSA-N 0 1 530.806 5.008 40 10 KKCBMN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1F)c1ccccc1F ZINC000113511690 571439581 /nfs/dbraw/zinc/43/95/81/571439581.db2.gz OZAUSXKQYLGYFY-UHFFFAOYSA-N 0 1 526.948 5.902 40 10 KKCBMN Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3cccc(Br)c3)C1=O)C(C)=CC(C)(C)N2C(C)C ZINC000223515394 571491564 /nfs/dbraw/zinc/49/15/64/571491564.db2.gz QHNFIPBMXREUMZ-WSDLNYQXSA-N 0 1 538.511 5.999 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=O)N([C@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)cc(I)c1OCc1ccccc1 ZINC000150466414 571507956 /nfs/dbraw/zinc/50/79/56/571507956.db2.gz HAJLBOWCHBIIOL-HRXFBUCQSA-N 0 1 640.518 5.946 40 10 KKCBMN Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3ccc(Br)cc3)C1=O)[C@H](C)CC(C)(C)N2C(C)C ZINC000223600411 571510916 /nfs/dbraw/zinc/51/09/16/571510916.db2.gz CFWNSNUZYZJRIS-NEIHUHTASA-N 0 1 540.527 6.089 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000150481517 571512814 /nfs/dbraw/zinc/51/28/14/571512814.db2.gz QTAWRRXIYHQIRT-NVMNQCDNSA-N 0 1 639.298 6.017 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1 ZINC000164392832 571546926 /nfs/dbraw/zinc/54/69/26/571546926.db2.gz FSGPSVWMUAMUAD-CXUHLZMHSA-N 0 1 624.713 6.414 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(OCc2ccc(I)cc2)c(I)c1 ZINC000164397069 571546984 /nfs/dbraw/zinc/54/69/84/571546984.db2.gz SENRHVWJNSCEGF-GZTJUZNOSA-N 0 1 684.268 5.445 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000164391857 571547026 /nfs/dbraw/zinc/54/70/26/571547026.db2.gz YFTUFXJBLGDVBR-CXUHLZMHSA-N 0 1 635.265 5.669 40 10 KKCBMN Cc1ccc(COc2c(Br)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)cc2I)cc1 ZINC000164394747 571547032 /nfs/dbraw/zinc/54/70/32/571547032.db2.gz VPWQARSXJURENG-LICLKQGHSA-N 0 1 651.295 5.912 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000164392573 571547040 /nfs/dbraw/zinc/54/70/40/571547040.db2.gz QKPDLZVKBDIHAV-VIZOYTHASA-N 0 1 614.707 6.959 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(I)c(OCc2ccc(I)cc2)c(I)c1 ZINC000164398337 571547284 /nfs/dbraw/zinc/54/72/84/571547284.db2.gz IBDPTMWYESOMTE-CXUHLZMHSA-N 0 1 810.164 6.050 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000164407527 571547497 /nfs/dbraw/zinc/54/74/97/571547497.db2.gz UFQVTEVKXJOIAJ-RQZCQDPDSA-N 0 1 624.315 6.704 40 10 KKCBMN Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3ccc(Br)cc3)C1=O)[C@@H](C)CC(C)(C)N2C ZINC000208236167 571573684 /nfs/dbraw/zinc/57/36/84/571573684.db2.gz KFYNJYWQIOJIGQ-SLDJAQPHSA-N 0 1 512.473 5.311 40 10 KKCBMN CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)cc2[C@H](C)CC1(C)C ZINC000208326007 571573752 /nfs/dbraw/zinc/57/37/52/571573752.db2.gz JYTDDEZLOBEBAG-GYZOOYGHSA-N 0 1 516.494 6.245 40 10 KKCBMN Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C1=O)C(C)=CC(C)(C)N2C ZINC000208450992 571574447 /nfs/dbraw/zinc/57/44/47/571574447.db2.gz KQHHEIYBEYFKSZ-GZTJUZNOSA-N 0 1 500.451 5.765 40 10 KKCBMN CCc1cc(Br)cc([N+](=O)[O-])c1N=Cc1c(C)[nH]n(-c2ccc(Br)c(C)c2)c1=O ZINC000408528935 572165968 /nfs/dbraw/zinc/16/59/68/572165968.db2.gz GJCYHYLZXNILSI-YBEGLDIGSA-N 0 1 522.197 5.709 40 10 KKCBMN Cc1[nH]n(-c2ccc(Br)cc2C)c(=O)c1C=Nc1nnc(-c2ccc(Cl)cc2Cl)s1 ZINC000408535466 572188653 /nfs/dbraw/zinc/18/86/53/572188653.db2.gz YKZHTJNRPQBERF-DHDCSXOGSA-N 0 1 523.243 6.301 40 10 KKCBMN Cc1[nH]n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(=O)c1C=Nc1c(C)cc(Br)cc1[N+](=O)[O-] ZINC000408537669 572195793 /nfs/dbraw/zinc/19/57/93/572195793.db2.gz GSSIBVJFNAEDPO-IWIPYMOSSA-N 0 1 549.469 6.852 40 10 KKCBMN CCOc1cc(COc2c(Br)cc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2Br)ccc1OCc1ccccc1 ZINC000408539188 572200946 /nfs/dbraw/zinc/20/09/46/572200946.db2.gz FJRDDLKOZASYHN-MYYYXRDXSA-N 0 1 722.455 7.600 40 10 KKCBMN CCOc1cc(COc2c(Br)cc(C=C3C(=O)NC(=O)NC3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408539853 572203769 /nfs/dbraw/zinc/20/37/69/572203769.db2.gz ZMYZOHXVEXKEQW-UHFFFAOYSA-N 0 1 595.446 5.154 40 10 KKCBMN CCOc1cc(COc2c(Cl)cc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408540138 572204586 /nfs/dbraw/zinc/20/45/86/572204586.db2.gz NNTVSLACNBOVGZ-PKAZHMFMSA-N 0 1 643.161 7.127 40 10 KKCBMN CCCCCCOc1c(Br)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1OC ZINC000408540420 572205767 /nfs/dbraw/zinc/20/57/67/572205767.db2.gz RNOXQHLASSGMRD-AQTBWJFISA-N 0 1 517.445 5.248 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408541047 572207417 /nfs/dbraw/zinc/20/74/17/572207417.db2.gz DIVUTHOEOVETAP-NLRVBDNBSA-N 0 1 583.710 5.348 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408543185 572212322 /nfs/dbraw/zinc/21/23/22/572212322.db2.gz PXYFQEMHHMLBBJ-KOEQRZSOSA-N 0 1 590.101 5.385 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408543648 572213362 /nfs/dbraw/zinc/21/33/62/572213362.db2.gz RVYKSURJHQIZLO-CJLVFECKSA-N 0 1 624.546 6.038 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408554166 572241787 /nfs/dbraw/zinc/24/17/87/572241787.db2.gz ZWESKGSSGYLIGN-MFOYZWKCSA-N 0 1 682.323 5.455 40 10 KKCBMN O=C(NN1C(=O)/C(=C/c2ccc(OCc3c(F)cccc3Cl)cc2)SC1=S)c1cccs1 ZINC000408605951 572274779 /nfs/dbraw/zinc/27/47/79/572274779.db2.gz ZLZJDUFXLJBRLS-ODLFYWEKSA-N 0 1 505.017 5.666 40 10 KKCBMN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000408626709 572284128 /nfs/dbraw/zinc/28/41/28/572284128.db2.gz VZFYLEOFELEQSM-UHFFFAOYSA-N 0 1 572.992 6.951 40 10 KKCBMN O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(Sc2nc3ccccc3[nH]2)o1 ZINC000408766334 1069738500 /nfs/dbraw/zinc/73/85/00/1069738500.db2.gz BYSLQPNPRBPKSA-JLHYYAGUSA-N 0 1 515.403 5.445 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccccc4F)c(OCC)c3)C2=O)cc1OC ZINC000409134583 1069785851 /nfs/dbraw/zinc/78/58/51/1069785851.db2.gz SGOAEZXMAYRJSF-LPYMAVHISA-N 0 1 641.490 6.025 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1 ZINC000409138322 1069788682 /nfs/dbraw/zinc/78/86/82/1069788682.db2.gz ZWGIPEPWKYGOOC-MTDXEUNCSA-N 0 1 535.669 6.121 40 10 KKCBMN Cc1cccc(N2C(=O)/C(=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Cl)c3)C(=O)NC2=S)c1C ZINC000408771678 1069871872 /nfs/dbraw/zinc/87/18/72/1069871872.db2.gz AKOXOBRPZGNJPZ-LICLKQGHSA-N 0 1 575.952 6.507 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408772758 1069885345 /nfs/dbraw/zinc/88/53/45/1069885345.db2.gz MYCZDOBNPKNXPL-JVWAILMASA-N 0 1 620.956 6.920 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408780827 1069904631 /nfs/dbraw/zinc/90/46/31/1069904631.db2.gz LQFKJKRNCCKNIA-OGLMXYFKSA-N 0 1 600.538 6.575 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000408785510 1069914161 /nfs/dbraw/zinc/91/41/61/1069914161.db2.gz GRELFJQXJBEIRH-LPYMAVHISA-N 0 1 555.441 5.147 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408815344 1069969271 /nfs/dbraw/zinc/96/92/71/1069969271.db2.gz JECDGQUBVPSNBN-CIAFOILYSA-N 0 1 541.456 6.111 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccccc1 ZINC000408813910 1069979130 /nfs/dbraw/zinc/97/91/30/1069979130.db2.gz FBNBPCHLUAYKCW-XDHOZWIPSA-N 0 1 572.278 5.622 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408844483 1070050139 /nfs/dbraw/zinc/05/01/39/1070050139.db2.gz CXVOYVVQDBHXSJ-GZTJUZNOSA-N 0 1 547.847 6.066 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000408847810 1070056397 /nfs/dbraw/zinc/05/63/97/1070056397.db2.gz SFDLFZHGAFVYLV-CXUHLZMHSA-N 0 1 637.295 6.083 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408853697 1070070768 /nfs/dbraw/zinc/07/07/68/1070070768.db2.gz WSNCRTSJKFBMMX-CXUHLZMHSA-N 0 1 565.837 6.205 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(Br)c(Cl)c1O ZINC000408854624 1070072623 /nfs/dbraw/zinc/07/26/23/1070072623.db2.gz AHPSPRACQUEDLR-RMKNXTFCSA-N 0 1 550.645 5.345 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 ZINC000408854912 1070073157 /nfs/dbraw/zinc/07/31/57/1070073157.db2.gz BBTMZYKCHMDKRS-MHWRWJLKSA-N 0 1 654.269 5.917 40 10 KKCBMN CC(C)(C)c1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(C(C)(C)C)c1O ZINC000408860165 1070076499 /nfs/dbraw/zinc/07/64/99/1070076499.db2.gz YMHXEMUGRLBBQI-GXDHUFHOSA-N 0 1 505.467 6.125 40 10 KKCBMN COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000408867172 1070087660 /nfs/dbraw/zinc/08/76/60/1070087660.db2.gz JVJYJYNCQDXQTC-UNOMPAQXSA-N 0 1 513.402 5.412 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000408870281 1070093512 /nfs/dbraw/zinc/09/35/12/1070093512.db2.gz SMDYKTADUUAHAZ-UNOMPAQXSA-N 0 1 527.827 5.513 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000408875790 1070108036 /nfs/dbraw/zinc/10/80/36/1070108036.db2.gz KXLPTHGQISWSNS-ODLFYWEKSA-N 0 1 513.402 5.412 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1Cc1ccccc1Br ZINC000408883822 1070117722 /nfs/dbraw/zinc/11/77/22/1070117722.db2.gz RCRDZAOTNOZUOM-NDENLUEZSA-N 0 1 600.332 6.032 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000408963933 1070329516 /nfs/dbraw/zinc/32/95/16/1070329516.db2.gz ARSDPLBFHLHTDD-LZYBPNLTSA-N 0 1 522.816 6.025 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C\c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1Cl ZINC000408989565 1070354356 /nfs/dbraw/zinc/35/43/56/1070354356.db2.gz IGEUBFOENXZROD-MHWRWJLKSA-N 0 1 567.073 6.149 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4cccc5cccnc54)c([N+](=O)[O-])c3)C(=O)NC2=S)c(C)c1 ZINC000408988676 1070360856 /nfs/dbraw/zinc/36/08/56/1070360856.db2.gz FMLWDAATQQDVGJ-XSFVSMFZSA-N 0 1 540.626 5.742 40 10 KKCBMN Cc1cc(C)cc(N2C(=O)/C(=C\c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)c1 ZINC000408992869 1070367668 /nfs/dbraw/zinc/36/76/68/1070367668.db2.gz TYTPNMUWURPDOG-LDADJPATSA-N 0 1 546.655 5.804 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408994910 1070371808 /nfs/dbraw/zinc/37/18/08/1070371808.db2.gz HTTVFMWXIAJOCP-LICLKQGHSA-N 0 1 699.248 7.554 40 10 KKCBMN Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cn(CC(=O)Nc3ccc(Cl)cc3)c3ccccc23)C(=O)NC1=S ZINC000409099053 1070532069 /nfs/dbraw/zinc/53/20/69/1070532069.db2.gz RSPPBFZGHNPCKY-FYJGNVAPSA-N 0 1 563.466 5.727 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(OCc5ccccc5)cc4)c3C)C(=O)NC2=S)c(OC)c1 ZINC000409106577 1070541139 /nfs/dbraw/zinc/54/11/39/1070541139.db2.gz MTRDETZTPKKFSC-WPWMEQJKSA-N 0 1 567.667 5.522 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1OCC ZINC000409188802 1070597503 /nfs/dbraw/zinc/59/75/03/1070597503.db2.gz GINUWYOVADSAPK-YDZHTSKRSA-N 0 1 704.945 6.382 40 10 KKCBMN CCOc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Br)cc4Br)cc3)C(=O)NC2=S)c1 ZINC000409186484 1070606981 /nfs/dbraw/zinc/60/69/81/1070606981.db2.gz CQIYCWSHSLERFY-WSDLNYQXSA-N 0 1 616.331 6.021 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccc(Br)cc4)c(OC)c3)C2=O)cc1OCC ZINC000409195809 1070615826 /nfs/dbraw/zinc/61/58/26/1070615826.db2.gz WBRGHFYDOASNCO-YDZHTSKRSA-N 0 1 702.396 6.649 40 10 KKCBMN CCOc1cc(Br)c(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1OCC ZINC000409249250 1070665685 /nfs/dbraw/zinc/66/56/85/1070665685.db2.gz MZSOSWRTMMXQHI-OVCLIPMQSA-N 0 1 523.836 5.040 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409266483 1070690428 /nfs/dbraw/zinc/69/04/28/1070690428.db2.gz ZGFUXPXLXHWSOI-BKUYFWCQSA-N 0 1 608.514 5.313 40 10 KKCBMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1 ZINC000409372935 1070895834 /nfs/dbraw/zinc/89/58/34/1070895834.db2.gz OAPHNYGHHIUHHM-IMRQLAEWSA-N 0 1 592.449 6.829 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000409385278 1070902387 /nfs/dbraw/zinc/90/23/87/1070902387.db2.gz HGNIKOISUKBOJQ-OVVQPSECSA-N 0 1 536.653 6.211 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc(Br)cc3)C(=O)NC2=S)cc1 ZINC000409377341 1070903856 /nfs/dbraw/zinc/90/38/56/1070903856.db2.gz GOEJZYKEOYKJNB-PXLXIMEGSA-N 0 1 521.436 5.422 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Br)c(C)c4)c3C)C(=O)NC2=S)cc1 ZINC000409380927 1070906545 /nfs/dbraw/zinc/90/65/45/1070906545.db2.gz CEXQIXHLFQACKI-HYARGMPZSA-N 0 1 522.468 5.559 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409388619 1070911018 /nfs/dbraw/zinc/91/10/18/1070911018.db2.gz VMLJAYLFXCBEOR-WGOQTCKBSA-N 0 1 571.098 6.865 40 10 KKCBMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(Br)ccc1OCc1ccc(Br)cc1 ZINC000408917660 1071145167 /nfs/dbraw/zinc/14/51/67/1071145167.db2.gz ZLEWEKHHAFRFNL-NDENLUEZSA-N 0 1 590.268 5.761 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000408695078 1071385289 /nfs/dbraw/zinc/38/52/89/1071385289.db2.gz OZBOLWJXXQHQDJ-GIJQJNRQSA-N 0 1 582.278 6.138 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408695065 1071385756 /nfs/dbraw/zinc/38/57/56/1071385756.db2.gz OWCZCAVIEXGANV-GIJQJNRQSA-N 0 1 629.278 5.980 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408692911 1071392555 /nfs/dbraw/zinc/39/25/55/1071392555.db2.gz YGLKDFMIRLCJPK-GIJQJNRQSA-N 0 1 582.278 6.138 40 10 KKCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc32)c(Br)c1 ZINC000408692595 1071394117 /nfs/dbraw/zinc/39/41/17/1071394117.db2.gz QGBNPJVOBRROPP-HYARGMPZSA-N 0 1 519.395 5.586 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408692227 1071395720 /nfs/dbraw/zinc/39/57/20/1071395720.db2.gz HSODYDNYHJRNRP-CAOOACKPSA-N 0 1 615.251 5.590 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(Br)cc1OCc1cccc2ccccc21 ZINC000408692076 1071396496 /nfs/dbraw/zinc/39/64/96/1071396496.db2.gz CVTFNVDUWBBMEE-LPYMAVHISA-N 0 1 549.421 5.594 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000408691991 1071397239 /nfs/dbraw/zinc/39/72/39/1071397239.db2.gz APSSQZHLFNOEKF-WGOQTCKBSA-N 0 1 518.013 5.731 40 10 KKCBMN O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 ZINC000408965577 1071414151 /nfs/dbraw/zinc/41/41/51/1071414151.db2.gz JAJYJLDCOUDTBU-ONUIUJJFSA-N 0 1 612.513 8.089 40 10 KKCBMN CCc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c1C ZINC000408960268 1071433605 /nfs/dbraw/zinc/43/36/05/1071433605.db2.gz KLPYVXLUSUAPDU-LPYMAVHISA-N 0 1 522.468 5.559 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1cc(Cl)ccc1Cl ZINC000408967977 1071463594 /nfs/dbraw/zinc/46/35/94/1071463594.db2.gz WEWXXTRSWZXLJY-LZYBPNLTSA-N 0 1 522.816 6.025 40 10 KKCBMN O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccc(-c2ccc(Br)cc2)o1 ZINC000408968448 1071461380 /nfs/dbraw/zinc/46/13/80/1071461380.db2.gz YXILECMEKZENRF-GDNBJRDFSA-N 0 1 505.752 5.333 40 10 KKCBMN CCCCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(F)c(Cl)c4)C3=O)c2C)cc1 ZINC000408967968 1071463677 /nfs/dbraw/zinc/46/36/77/1071463677.db2.gz WDFVVRCRPJHCLS-HYARGMPZSA-N 0 1 510.034 6.061 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000408968193 1071463056 /nfs/dbraw/zinc/46/30/56/1071463056.db2.gz XDLIKGYZCZXTNX-AFUMVMLFSA-N 0 1 578.040 6.436 40 10 KKCBMN O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000408967927 1071464982 /nfs/dbraw/zinc/46/49/82/1071464982.db2.gz VTTNBHDJDSNTKW-LCYFTJDESA-N 0 1 506.298 5.132 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408722321 1071534529 /nfs/dbraw/zinc/53/45/29/1071534529.db2.gz HEVOTWJUHAFJCO-VIZOYTHASA-N 0 1 682.292 6.595 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408722299 1071534550 /nfs/dbraw/zinc/53/45/50/1071534550.db2.gz GSJGXIBSIXZOIH-CNHKJKLMSA-N 0 1 673.743 6.670 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408721925 1071536808 /nfs/dbraw/zinc/53/68/08/1071536808.db2.gz BJYVRRRQRYEFPG-QGMBQPNBSA-N 0 1 673.743 6.670 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408721912 1071536969 /nfs/dbraw/zinc/53/69/69/1071536969.db2.gz BHQKZYAJIFIEKJ-MKMNVTDBSA-N 0 1 668.265 6.205 40 10 KKCBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(NC(=O)c6ccc(Cl)cc6)cc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)c1 ZINC000408993882 1071562754 /nfs/dbraw/zinc/56/27/54/1071562754.db2.gz XTYUQFCNXJZIAE-ZVHZXABRSA-N 0 1 700.223 7.710 40 10 KKCBMN CN1C(=O)NC(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)C1=O ZINC000408993717 1071563814 /nfs/dbraw/zinc/56/38/14/1071563814.db2.gz FEEIDWKHUCWEIV-XQNSMLJCSA-N 0 1 526.390 5.665 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)[C@@H]7CCCC[C@@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1 ZINC000408992976 1071568284 /nfs/dbraw/zinc/56/82/84/1071568284.db2.gz UHVBFHIRIOQBQE-RCRQRPLWSA-N 0 1 683.793 6.175 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4cccc5cccnc54)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1C ZINC000408992620 1071570612 /nfs/dbraw/zinc/57/06/12/1071570612.db2.gz SRNDSYHZHLWABB-KGENOOAVSA-N 0 1 540.626 5.742 40 10 KKCBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)[C@H]7CCCC[C@@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)c1 ZINC000408991458 1071579520 /nfs/dbraw/zinc/57/95/20/1071579520.db2.gz OGLKSJJJWALMLX-ZZTJDXDDSA-N 0 1 697.820 6.483 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(NC(=O)c6ccccc6)cc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1C ZINC000408991385 1071582180 /nfs/dbraw/zinc/58/21/80/1071582180.db2.gz NQVWSTZCSNEIOG-BUVRLJJBSA-N 0 1 665.778 7.056 40 10 KKCBMN Cc1cccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)[C@H]7CCCC[C@@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)c1 ZINC000408990957 1071585528 /nfs/dbraw/zinc/58/55/28/1071585528.db2.gz MDEPSCYTHCRDSW-FGKIGFKSSA-N 0 1 683.793 6.175 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C\c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)c(C)c1 ZINC000408990211 1071591195 /nfs/dbraw/zinc/59/11/95/1071591195.db2.gz JXPFOIBSMXERDY-SFQUDFHCSA-N 0 1 546.655 5.804 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1Cl ZINC000408989045 1071599613 /nfs/dbraw/zinc/59/96/13/1071599613.db2.gz GQWGZCYMLOELFW-LZYBPNLTSA-N 0 1 612.070 6.057 40 10 KKCBMN Cc1cccc(N2C(=O)/C(=C/c3ccc(SCC(=O)Nc4ccc5ccccc5c4)c([N+](=O)[O-])c3)C(=O)NC2=S)c1 ZINC000408987733 1071610755 /nfs/dbraw/zinc/61/07/55/1071610755.db2.gz BTJZORYAJXYEIJ-ZVHZXABRSA-N 0 1 582.663 5.619 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(SCC(=O)Nc4ccc5ccccc5c4)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1 ZINC000408987755 1071611426 /nfs/dbraw/zinc/61/14/26/1071611426.db2.gz BWPYGJCGZOVQQJ-ZVHZXABRSA-N 0 1 582.663 5.619 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408744271 1071616168 /nfs/dbraw/zinc/61/61/68/1071616168.db2.gz ZGWZSBOOURMVLN-VXLYETTFSA-N 0 1 606.325 6.483 40 10 KKCBMN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)o1 ZINC000408743724 1071617312 /nfs/dbraw/zinc/61/73/12/1071617312.db2.gz XRUUQNHINWZKFP-WOJGMQOQSA-N 0 1 526.368 5.065 40 10 KKCBMN CC(C)(C)c1ccc(N2C(=O)/C(=C/c3cc(Br)c(Sc4ccccc4)o3)C(=O)NC2=S)cc1 ZINC000408995766 1071621610 /nfs/dbraw/zinc/62/16/10/1071621610.db2.gz DPSDKOCLDHGRQU-CPNJWEJPSA-N 0 1 541.492 6.322 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc(I)c1OCc1ccccc1 ZINC000408743766 1071617947 /nfs/dbraw/zinc/61/79/47/1071617947.db2.gz YAEMKZGQDXRGIJ-VXLYETTFSA-N 0 1 649.304 5.473 40 10 KKCBMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000408743166 1071618966 /nfs/dbraw/zinc/61/89/66/1071618966.db2.gz VAILBEKNQXSDDR-RGVLZGJSSA-N 0 1 517.821 6.057 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408742507 1071621262 /nfs/dbraw/zinc/62/12/62/1071621262.db2.gz RIWWXYGQZIQFNX-RGVLZGJSSA-N 0 1 620.352 6.873 40 10 KKCBMN O=C1C=CC(=NNc2ccccc2)C=C1C=C1C(=O)NC(=S)N(c2cccc(Br)c2)C1=O ZINC000408741995 1071622815 /nfs/dbraw/zinc/62/28/15/1071622815.db2.gz OTFNWJBBWYUPPS-SSUQSNGBSA-N 0 1 507.369 5.401 40 10 KKCBMN CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)c2-c2ccccc2)cc1 ZINC000408741627 1071625108 /nfs/dbraw/zinc/62/51/08/1071625108.db2.gz REQXEJYGHONQQV-MWAVMZGNSA-N 0 1 632.141 7.473 40 10 KKCBMN CCOc1cccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccccc4)c(I)c3)C(=O)NC2=S)c1 ZINC000408741363 1071625161 /nfs/dbraw/zinc/62/51/61/1071625161.db2.gz LNBGKFVHKGXGLY-RGVLZGJSSA-N 0 1 710.331 5.705 40 10 KKCBMN Cc1cc(Br)ccc1N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)NC1=S ZINC000408740152 1071632039 /nfs/dbraw/zinc/63/20/39/1071632039.db2.gz DQNSYYVEBUYMBC-GDNBJRDFSA-N 0 1 546.786 5.410 40 10 KKCBMN CCOc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OCc4ccc(Cl)c(Cl)c4)c(Br)c3Br)C(=O)NC2=S)cc1 ZINC000408999051 1071655779 /nfs/dbraw/zinc/65/57/79/1071655779.db2.gz JVMCDVYCZQDHMV-WOJGMQOQSA-N 0 1 715.247 7.336 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C\c3ccc(OC(=O)c4ccc(Cl)c(Cl)c4)cc3)C(=O)NC2=S)cc1 ZINC000408753688 1071656438 /nfs/dbraw/zinc/65/64/38/1071656438.db2.gz BNZNZAGSOGFFAD-UNOMPAQXSA-N 0 1 527.385 5.053 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccccc1Br ZINC000409013090 1071681514 /nfs/dbraw/zinc/68/15/14/1071681514.db2.gz MHGTTZIGAOBFQI-DEDYPNTBSA-N 0 1 508.441 5.305 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408766685 1071718662 /nfs/dbraw/zinc/71/86/62/1071718662.db2.gz DYHUFHOANQHZSV-RGVLZGJSSA-N 0 1 604.853 5.364 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc(Br)cc4)c3-c3ccccc3)C(=O)NC2=S)cc1 ZINC000409020800 1071724650 /nfs/dbraw/zinc/72/46/50/1071724650.db2.gz TZPGJCZEQSXRKJ-BRPDVVIDSA-N 0 1 634.555 7.414 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000408773980 1071764744 /nfs/dbraw/zinc/76/47/44/1071764744.db2.gz NNNUQNRUUVRWMB-VCHYOVAHSA-N 0 1 610.304 6.145 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408773388 1071768193 /nfs/dbraw/zinc/76/81/93/1071768193.db2.gz PZUUVJHQSWHSSO-OKCVXOCRSA-N 0 1 563.767 7.010 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408771473 1071780012 /nfs/dbraw/zinc/78/00/12/1071780012.db2.gz GQPKBSRKWDMJML-ZVHZXABRSA-N 0 1 676.505 6.605 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000408771537 1071780791 /nfs/dbraw/zinc/78/07/91/1071780791.db2.gz HCSZFIRVPHFFMS-LICLKQGHSA-N 0 1 620.294 5.770 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408768509 1071799275 /nfs/dbraw/zinc/79/92/75/1071799275.db2.gz XMPFMLBLJBSOPG-CVKSISIWSA-N 0 1 611.636 6.151 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000408778279 1071838904 /nfs/dbraw/zinc/83/89/04/1071838904.db2.gz SAGBTKLMECMESF-MHWRWJLKSA-N 0 1 547.898 5.891 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408786267 1071852323 /nfs/dbraw/zinc/85/23/23/1071852323.db2.gz NPUFMWCEBGDXLG-LPYMAVHISA-N 0 1 598.462 5.327 40 10 KKCBMN COC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4)C3=O)c1C)CCCC2 ZINC000408785877 1071855813 /nfs/dbraw/zinc/85/58/13/1071855813.db2.gz JATLVFKAGBUQTH-UDWIEESQSA-N 0 1 554.093 5.306 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408789290 1071896046 /nfs/dbraw/zinc/89/60/46/1071896046.db2.gz INFBNPNEKOQTJA-WPWMEQJKSA-N 0 1 586.511 6.267 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(-c2ccccc2)n1-c1ccccc1 ZINC000408788328 1071899512 /nfs/dbraw/zinc/89/95/12/1071899512.db2.gz DVDRSFYJLUAVIZ-LTGZKZEYSA-N 0 1 532.452 6.591 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4sc5c(c4C(=O)Nc4ccccc4)CCCC5)c3C)C(=O)NC2=S)c(OC)c1 ZINC000409069422 1072102087 /nfs/dbraw/zinc/10/20/87/1072102087.db2.gz CWIJWOGNUPCUOV-KOEQRZSOSA-N 0 1 640.787 6.135 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Br)c(Cl)c4)c3C)C(=O)NC2=S)c(OC)c1 ZINC000409067440 1072117435 /nfs/dbraw/zinc/11/74/35/1072117435.db2.gz DCANZPSDTXWOCF-VCHYOVAHSA-N 0 1 574.884 5.359 40 10 KKCBMN Cc1c(Cl)cccc1N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)NC1=S ZINC000409094901 1072243408 /nfs/dbraw/zinc/24/34/08/1072243408.db2.gz AJAINAIYCRFULA-GDNBJRDFSA-N 0 1 546.786 5.410 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000409088399 1072297691 /nfs/dbraw/zinc/29/76/91/1072297691.db2.gz LLIZKVXCQKFTNA-XDHOZWIPSA-N 0 1 542.886 5.958 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000409101558 1072313306 /nfs/dbraw/zinc/31/33/06/1072313306.db2.gz YZKXHMHWRSSZLK-PCLIKHOPSA-N 0 1 574.077 6.605 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)C(=O)NC2=S)c(OC)c1 ZINC000409104591 1072354823 /nfs/dbraw/zinc/35/48/23/1072354823.db2.gz JWXWGDFMYCMOSG-USHMODERSA-N 0 1 630.682 6.568 40 10 KKCBMN O=C(NN1C(=O)/C(=C/c2cn(Cc3ccc(F)cc3Cl)c3ccccc23)SC1=S)c1cccs1 ZINC000409347023 1072410737 /nfs/dbraw/zinc/41/07/37/1072410737.db2.gz PMJPFZPNTSKERU-FBHDLOMBSA-N 0 1 528.055 6.090 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000409124785 1072464313 /nfs/dbraw/zinc/46/43/13/1072464313.db2.gz LQAIOMGOGSXBIP-FYJGNVAPSA-N 0 1 522.468 5.613 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4ccccc4)c(OCC)c3)C2=O)cc1OC ZINC000409124869 1072464822 /nfs/dbraw/zinc/46/48/22/1072464822.db2.gz LCGJTLBBZSJTGK-OEAKJJBVSA-N 0 1 670.500 5.728 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OS(=O)(=O)c4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409124339 1072467029 /nfs/dbraw/zinc/46/70/29/1072467029.db2.gz BDUCNLNRNUWIAG-LPYMAVHISA-N 0 1 663.532 5.619 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4cccc(Cl)c4)c(OCC)c3)C2=O)cc1OC ZINC000409124112 1072468670 /nfs/dbraw/zinc/46/86/70/1072468670.db2.gz KDQYAEVKVZWUFD-YDZHTSKRSA-N 0 1 704.945 6.382 40 10 KKCBMN O=C(NN1C(=O)/C(=C\c2cccc(OCc3cccc4ccccc43)c2)SC1=S)c1cccs1 ZINC000409338150 1072488938 /nfs/dbraw/zinc/48/89/38/1072488938.db2.gz DWOANONIXJNSDY-HZHRSRAPSA-N 0 1 502.642 6.027 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cccc(OCc4cccc5ccccc54)c3)C2=O)cc1OC ZINC000409130320 1072515188 /nfs/dbraw/zinc/51/51/88/1072515188.db2.gz HIVBDSZAVSXQRQ-VEILYXNESA-N 0 1 550.611 5.878 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc(F)cc4)c(OC)c3)C2=O)cc1OC ZINC000409130206 1072515969 /nfs/dbraw/zinc/51/59/69/1072515969.db2.gz IRYRXMNZOMVHHX-WSDLNYQXSA-N 0 1 583.012 5.526 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(Br)cc3)C2=O)cc1OC ZINC000409128615 1072524869 /nfs/dbraw/zinc/52/48/69/1072524869.db2.gz FVLXIFAPIXINFX-XQNSMLJCSA-N 0 1 579.447 5.488 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Cl)cc(Cl)c3OCc3ccc(Br)cc3)C2=O)cc1OC ZINC000409127386 1072531074 /nfs/dbraw/zinc/53/10/74/1072531074.db2.gz HIIAKGNXTVQMPZ-LPYMAVHISA-N 0 1 648.337 6.794 40 10 KKCBMN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OCc1cccc(C)c1 ZINC000409351605 1072534539 /nfs/dbraw/zinc/53/45/39/1072534539.db2.gz VAXQRVIJPSAXIX-HMAPJEAMSA-N 0 1 510.662 5.580 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000409144341 1072534911 /nfs/dbraw/zinc/53/49/11/1072534911.db2.gz FKNYBVSSFBRHFQ-HZHRSRAPSA-N 0 1 579.993 5.287 40 10 KKCBMN CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=S)N(NC(=O)c2cccs2)C1=O ZINC000409350735 1072541793 /nfs/dbraw/zinc/54/17/93/1072541793.db2.gz SINAKGCIINBEHA-FSJBWODESA-N 0 1 524.733 6.161 40 10 KKCBMN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000409350328 1072543141 /nfs/dbraw/zinc/54/31/41/1072543141.db2.gz RKAJPBCDBABZSQ-NDENLUEZSA-N 0 1 593.521 6.174 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(Cl)c3)C2=O)cc1OC ZINC000409142265 1072549631 /nfs/dbraw/zinc/54/96/31/1072549631.db2.gz XIVHAJYRLIGZOA-SRZZPIQSSA-N 0 1 603.886 6.685 40 10 KKCBMN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409348238 1072559091 /nfs/dbraw/zinc/55/90/91/1072559091.db2.gz SELAWMWFCAQJBB-JMIUGGIZSA-N 0 1 644.421 7.341 40 10 KKCBMN O=C(NN1C(=O)/C(=C\c2c(Oc3nc(Cl)ncc3F)ccc3ccccc32)SC1=S)c1cccs1 ZINC000409347573 1072562457 /nfs/dbraw/zinc/56/24/57/1072562457.db2.gz MDHQCLMFJVIPBR-VCHYOVAHSA-N 0 1 543.026 5.822 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Br)cc4)c(Br)c3)C2=O)cc1OC ZINC000409138938 1072566985 /nfs/dbraw/zinc/56/69/85/1072566985.db2.gz KENQGQWROKBGBN-LPYMAVHISA-N 0 1 658.343 6.250 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(Br)c3)C2=O)cc1OC ZINC000409138362 1072570860 /nfs/dbraw/zinc/57/08/60/1072570860.db2.gz AOZGMYQZBROTRS-AWQFTUOYSA-N 0 1 727.233 7.557 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccccc4)c(OC)c3)C2=O)cc1OC ZINC000409147165 1072577192 /nfs/dbraw/zinc/57/71/92/1072577192.db2.gz VIOOPUFGBNCFHD-LPYMAVHISA-N 0 1 565.022 5.387 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(Br)cc3)C2=O)cc1OC ZINC000409147000 1072578095 /nfs/dbraw/zinc/57/80/95/1072578095.db2.gz UHECADBWIRRREG-HZHRSRAPSA-N 0 1 613.892 6.141 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCC(=O)Nc4ccc(F)cc4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409376964 1072626745 /nfs/dbraw/zinc/62/67/45/1072626745.db2.gz CXBQYHRUAQARHY-CIAFOILYSA-N 0 1 612.477 5.008 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4Cl)c(I)c3)C(=O)NC2=S)cc1 ZINC000409376655 1072628059 /nfs/dbraw/zinc/62/80/59/1072628059.db2.gz CGZCURPEWCWTFO-DEDYPNTBSA-N 0 1 602.881 5.917 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409376201 1072630210 /nfs/dbraw/zinc/63/02/10/1072630210.db2.gz VWHJPLRLMSPHCZ-LPYMAVHISA-N 0 1 610.486 5.729 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccc(Br)cc3)C(=O)NC2=S)cc1 ZINC000409375676 1072632260 /nfs/dbraw/zinc/63/22/60/1072632260.db2.gz NVTMBIFSEVKGOF-HYARGMPZSA-N 0 1 600.332 6.184 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(Br)cc1OCc1cccc2ccccc21 ZINC000409374514 1072637422 /nfs/dbraw/zinc/63/74/22/1072637422.db2.gz ROEKPFWXCBKLLC-YDZHTSKRSA-N 0 1 575.415 5.835 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409374480 1072637434 /nfs/dbraw/zinc/63/74/34/1072637434.db2.gz QTJHICXXUDIXFV-YDZHTSKRSA-N 0 1 622.415 5.677 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCc1ccc(I)cc1 ZINC000409374482 1072637540 /nfs/dbraw/zinc/63/75/40/1072637540.db2.gz QUKCWROAKLDMNK-VXLYETTFSA-N 0 1 651.251 5.286 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409374548 1072638154 /nfs/dbraw/zinc/63/81/54/1072638154.db2.gz SOXNWZONVHWNNE-CAOOACKPSA-N 0 1 549.794 5.880 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCc3ccc(Br)cc3)C2=O)cc1OC ZINC000409148622 1072641822 /nfs/dbraw/zinc/64/18/22/1072641822.db2.gz ZVHBEIJPIBVNJR-HZHRSRAPSA-N 0 1 658.343 6.250 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc(C)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409148500 1072642926 /nfs/dbraw/zinc/64/29/26/1072642926.db2.gz QBIBHMXZHIAQRN-ZVHZXABRSA-N 0 1 593.076 6.086 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4cccc5ccccc54)c(OC)c3)C2=O)cc1OC ZINC000409148191 1072644403 /nfs/dbraw/zinc/64/44/03/1072644403.db2.gz XOWLLULSADLAPL-CVKSISIWSA-N 0 1 706.533 6.491 40 10 KKCBMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2ccc3ccccc3c2)c(Br)c1 ZINC000409372215 1072647018 /nfs/dbraw/zinc/64/70/18/1072647018.db2.gz JMBIWDNVLNSYCC-LPYMAVHISA-N 0 1 531.362 5.436 40 10 KKCBMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 ZINC000409371849 1072647743 /nfs/dbraw/zinc/64/77/43/1072647743.db2.gz JAKTUZKMIIUSQC-IMRQLAEWSA-N 0 1 558.550 5.975 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1O[C@@H](C)CC ZINC000409370530 1072653485 /nfs/dbraw/zinc/65/34/85/1072653485.db2.gz SIVQAEKYCWCTFS-UZUMKDMXSA-N 0 1 531.472 5.419 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCc1ccccc1Cl ZINC000409370067 1072655940 /nfs/dbraw/zinc/65/59/40/1072655940.db2.gz KJWXSPQWKJYLJW-FYJGNVAPSA-N 0 1 599.934 6.474 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4cccc(C)c4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409378585 1072675274 /nfs/dbraw/zinc/67/52/74/1072675274.db2.gz QKPAAUWIOBZUIB-LPYMAVHISA-N 0 1 565.489 5.739 40 10 KKCBMN O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(Cc2ccccc2F)c2ccc(Br)cc12 ZINC000409161668 1072676758 /nfs/dbraw/zinc/67/67/58/1072676758.db2.gz OPSJIGOCJIKIQH-WSDLNYQXSA-N 0 1 532.369 5.253 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(I)cc4)c(Br)c3)C(=O)NC2=S)cc1 ZINC000409383265 1072703814 /nfs/dbraw/zinc/70/38/14/1072703814.db2.gz VPRHLEBYOFBOKY-FYJGNVAPSA-N 0 1 647.332 6.026 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OCc4ccc(Br)cc4)cc3Br)C(=O)NC2=S)cc1 ZINC000409383067 1072704221 /nfs/dbraw/zinc/70/42/21/1072704221.db2.gz RAMCCSMUTJPGFT-CIAFOILYSA-N 0 1 630.358 6.193 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(OCc5ccc(F)cc5)cc4)c3C)C(=O)NC2=S)cc1 ZINC000409382437 1072706532 /nfs/dbraw/zinc/70/65/32/1072706532.db2.gz MJCQRFNZESXDGG-RDRPBHBLSA-N 0 1 553.659 6.206 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccc(I)cc4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409381284 1072712342 /nfs/dbraw/zinc/71/23/42/1072712342.db2.gz SQDQWJFTUGYMRU-CIAFOILYSA-N 0 1 724.358 5.877 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409381194 1072713537 /nfs/dbraw/zinc/71/35/37/1072713537.db2.gz SDJFHOWIVNMYNC-VXLYETTFSA-N 0 1 667.352 6.579 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCc1ccccc1F ZINC000409380509 1072717695 /nfs/dbraw/zinc/71/76/95/1072717695.db2.gz NCJINONSGCLOEQ-FYJGNVAPSA-N 0 1 583.479 5.960 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1ccc(I)cc1 ZINC000409380416 1072717840 /nfs/dbraw/zinc/71/78/40/1072717840.db2.gz MPYHWIGSKDCMDR-LPYMAVHISA-N 0 1 646.934 6.316 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C)cc4)c(I)c3)C(=O)NC2=S)cc1 ZINC000409379818 1072720564 /nfs/dbraw/zinc/72/05/64/1072720564.db2.gz ZUKRWSJRMDRBFP-HYARGMPZSA-N 0 1 582.463 5.572 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000409380076 1072720627 /nfs/dbraw/zinc/72/06/27/1072720627.db2.gz HAHADRFWXVTSRW-LPYMAVHISA-N 0 1 583.479 5.960 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409408797 1072814245 /nfs/dbraw/zinc/81/42/45/1072814245.db2.gz RPFIRJPXHCKVIQ-NDENLUEZSA-N 0 1 572.253 5.651 40 10 KKCBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409408494 1072815783 /nfs/dbraw/zinc/81/57/83/1072815783.db2.gz QXUYKSHGKQIGFV-ODLFYWEKSA-N 0 1 513.775 5.152 40 10 KKCBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000409407663 1072820954 /nfs/dbraw/zinc/82/09/54/1072820954.db2.gz NJMUNYJZGFQXMV-ODLFYWEKSA-N 0 1 605.226 5.103 40 10 KKCBMN CCCOc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)cc1Br ZINC000409194029 1072846458 /nfs/dbraw/zinc/84/64/58/1072846458.db2.gz KKGPXOMYNGLKOK-CPNJWEJPSA-N 0 1 545.430 5.087 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4cccc(F)c4)c(OC)c3)C2=O)cc1OCC ZINC000409193406 1072850252 /nfs/dbraw/zinc/85/02/52/1072850252.db2.gz KCQQDEPKXDOTGD-YDZHTSKRSA-N 0 1 641.490 6.025 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4cccc5ccccc54)c(OC)c3)C2=O)cc1OCC ZINC000409192010 1072858692 /nfs/dbraw/zinc/85/86/92/1072858692.db2.gz SHFKAJHIALLWSG-JVWAILMASA-N 0 1 629.109 6.930 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc5ccccc54)c(OC)c3)C2=O)cc1OCC ZINC000409191311 1072864312 /nfs/dbraw/zinc/86/43/12/1072864312.db2.gz VENPXMNDOPUCAO-MTDXEUNCSA-N 0 1 594.664 6.277 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409190861 1072867843 /nfs/dbraw/zinc/86/78/43/1072867843.db2.gz XDYSGJGSMRBTCS-LFVJCYFKSA-N 0 1 643.114 5.356 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCc3ccc(F)cc3)C2=O)cc1OCC ZINC000409190540 1072869301 /nfs/dbraw/zinc/86/93/01/1072869301.db2.gz ZECCMZXSNXUZIJ-LFVJCYFKSA-N 0 1 611.464 6.017 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)cc(Br)c3OC)C2=O)cc1OCC ZINC000409190359 1072869800 /nfs/dbraw/zinc/86/98/00/1072869800.db2.gz XOKLLXRJVHDNHW-GZTJUZNOSA-N 0 1 596.272 5.070 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Br)cc4Br)cc3)C(=O)NC2=S)cc1C ZINC000409189323 1072876657 /nfs/dbraw/zinc/87/66/57/1072876657.db2.gz JGYQQFFTPMJYQN-WSDLNYQXSA-N 0 1 600.332 6.239 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)c(Br)c3)C2=O)cc1OCC ZINC000409189006 1072878350 /nfs/dbraw/zinc/87/83/50/1072878350.db2.gz MQYHGOFXVIBNPR-OEAKJJBVSA-N 0 1 627.919 6.531 40 10 KKCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(Cc2ccc(Cl)cc2)c2ccc(Br)cc12 ZINC000409206754 1072890468 /nfs/dbraw/zinc/89/04/68/1072890468.db2.gz XDWCQPCYDCGPOQ-NHDPSOOVSA-N 0 1 526.818 5.510 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409206459 1072892354 /nfs/dbraw/zinc/89/23/54/1072892354.db2.gz JVFXYAWCSYSOSJ-XYGWBWBKSA-N 0 1 530.606 5.558 40 10 KKCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000409221748 1072997081 /nfs/dbraw/zinc/99/70/81/1072997081.db2.gz VARWXKPMSUBZAQ-GDNBJRDFSA-N 0 1 521.860 5.358 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409220850 1073001721 /nfs/dbraw/zinc/00/17/21/1073001721.db2.gz GTDBRLCPJWNMSH-YBEGLDIGSA-N 0 1 504.826 5.886 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000409229571 1073020778 /nfs/dbraw/zinc/02/07/78/1073020778.db2.gz RFFRUKCGTXWNTP-BKUYFWCQSA-N 0 1 569.468 5.455 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)Nc4ccccc4)c4ccccc34)C(=O)NC2=S)cc1Cl ZINC000409235772 1073042313 /nfs/dbraw/zinc/04/23/13/1073042313.db2.gz QLLOMMIUUCCSAD-LPYMAVHISA-N 0 1 529.021 5.073 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1cccc(I)c1 ZINC000409235684 1073043254 /nfs/dbraw/zinc/04/32/54/1073043254.db2.gz CWMKYVBTLPQIRQ-KEBDBYFISA-N 0 1 595.384 5.549 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4cccc([N+](=O)[O-])c4)c4ccccc34)C(=O)NC2=S)cc1Cl ZINC000409234661 1073049655 /nfs/dbraw/zinc/04/96/55/1073049655.db2.gz OPSSNRSYEDNFGB-WSDLNYQXSA-N 0 1 530.993 5.391 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409232669 1073059082 /nfs/dbraw/zinc/05/90/82/1073059082.db2.gz BCGCBADRLIDTHW-LGJNPRDNSA-N 0 1 644.502 7.830 40 10 KKCBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)C(=O)NC2=S)c1 ZINC000409232214 1073061750 /nfs/dbraw/zinc/06/17/50/1073061750.db2.gz PAOUJCSJVBBSSB-FYJGNVAPSA-N 0 1 534.468 6.445 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000409230234 1073071025 /nfs/dbraw/zinc/07/10/25/1073071025.db2.gz CONSSEQOPKZOOR-JAIQZWGSSA-N 0 1 595.384 5.549 40 10 KKCBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3cn(Cc4ccccc4Cl)c4ccccc34)C(=O)NC2=S)c1 ZINC000409245878 1073081575 /nfs/dbraw/zinc/08/15/75/1073081575.db2.gz AHIWKYQYUHZFRH-HYARGMPZSA-N 0 1 500.023 5.791 40 10 KKCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(-c2ccc(Br)cc2)o1 ZINC000409245912 1073081672 /nfs/dbraw/zinc/08/16/72/1073081672.db2.gz ATXQWXQNRPCOEM-BOPFTXTBSA-N 0 1 521.314 5.559 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000409243822 1073091465 /nfs/dbraw/zinc/09/14/65/1073091465.db2.gz UTNSNRQBMBCIPB-QQXSKIMKSA-N 0 1 545.586 6.611 40 10 KKCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000409243707 1073092056 /nfs/dbraw/zinc/09/20/56/1073092056.db2.gz ZRNYPLLLUCQRAN-CXUHLZMHSA-N 0 1 587.826 6.697 40 10 KKCBMN COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c1C ZINC000409241816 1073100359 /nfs/dbraw/zinc/10/03/59/1073100359.db2.gz OWKTVPROBQALEP-LPYMAVHISA-N 0 1 508.043 5.711 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1cccc(Br)c1 ZINC000409241450 1073101226 /nfs/dbraw/zinc/10/12/26/1073101226.db2.gz NJPLMHLVMLCXIZ-KEBDBYFISA-N 0 1 528.859 5.650 40 10 KKCBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C(=O)NC2=S)c1 ZINC000409241166 1073103171 /nfs/dbraw/zinc/10/31/71/1073103171.db2.gz RUAKKQLJFZCECB-OEAKJJBVSA-N 0 1 510.575 5.046 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000409240699 1073106113 /nfs/dbraw/zinc/10/61/13/1073106113.db2.gz PLRCYRLDAFZHGT-RVDMUPIBSA-N 0 1 504.826 5.886 40 10 KKCBMN CC(C)c1ccc(N2C(=O)/C(=C/c3cn(CC(=O)Nc4ccc(F)cc4)c4ccccc34)C(=O)NC2=S)cc1 ZINC000409240484 1073108289 /nfs/dbraw/zinc/10/82/89/1073108289.db2.gz UCBAZEBPAOWTIR-MFKUBSTISA-N 0 1 540.620 5.374 40 10 KKCBMN CC(C)c1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc5ccccc5c4)c4ccccc34)C(=O)NC2=S)cc1 ZINC000409238969 1073116377 /nfs/dbraw/zinc/11/63/77/1073116377.db2.gz XSDGDVMRSYASLW-RDRPBHBLSA-N 0 1 529.665 6.798 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409238524 1073119309 /nfs/dbraw/zinc/11/93/09/1073119309.db2.gz KWZFNEBGWPZJRI-NVMNQCDNSA-N 0 1 538.378 6.251 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000409238042 1073121902 /nfs/dbraw/zinc/12/19/02/1073121902.db2.gz KAYBLHVEZCSEQZ-DEDYPNTBSA-N 0 1 506.414 5.828 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc(I)c1OC(C)C ZINC000409238071 1073121934 /nfs/dbraw/zinc/12/19/34/1073121934.db2.gz YYNULJCLNGMLEJ-VCHYOVAHSA-N 0 1 564.445 5.042 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409250236 1073136993 /nfs/dbraw/zinc/13/69/93/1073136993.db2.gz WPMZPVSUKGCOLN-YZSQISJMSA-N 0 1 568.680 6.293 40 10 KKCBMN Cc1ccc(NC(=O)Cn2cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(Cl)c4)C3=O)c3ccccc32)cc1 ZINC000409250074 1073137491 /nfs/dbraw/zinc/13/74/91/1073137491.db2.gz PMWZHYLAGYOLPV-YDZHTSKRSA-N 0 1 543.048 5.382 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(Br)c(Br)c1O ZINC000409248317 1073149317 /nfs/dbraw/zinc/14/93/17/1073149317.db2.gz PNELSWBPNGTHGU-OQLLNIDSSA-N 0 1 568.287 5.271 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000409265928 1073204013 /nfs/dbraw/zinc/20/40/13/1073204013.db2.gz VCBHSDCITDTVTF-BKUYFWCQSA-N 0 1 564.063 5.204 40 10 KKCBMN COc1ccccc1N1C(=O)C(=Cc2ccc3c(c2)CCN3Cc2ccccc2Cl)C(=O)NC1=S ZINC000033332469 1073207462 /nfs/dbraw/zinc/20/74/62/1073207462.db2.gz RUKMKTKJGVYWCZ-HKWRFOASSA-N 0 1 504.011 5.583 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409258058 1073247549 /nfs/dbraw/zinc/24/75/49/1073247549.db2.gz SXDXEJGWNSRYTE-NDENLUEZSA-N 0 1 614.905 5.350 40 10 KKCBMN Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Cl ZINC000409267793 1073288341 /nfs/dbraw/zinc/28/83/41/1073288341.db2.gz WIWDQTKKXUANKJ-GRSHGNNSSA-N 0 1 663.775 6.022 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000001092505 551607331 /nfs/dbraw/zinc/60/73/31/551607331.db2.gz PTEARRHSYQQEHF-DEDYPNTBSA-N 0 1 500.511 5.409 40 10 KKCBMN Cc1cccc(Cn2cc(/C=C3/C(=O)NC(=S)N(c4cccc(Cl)c4C)C3=O)c3ccccc32)c1 ZINC000009263215 553228697 /nfs/dbraw/zinc/22/86/97/553228697.db2.gz YWDBMCAJXISVNC-HMAPJEAMSA-N 0 1 500.023 5.791 40 10 KKCBMN CCOC(=O)c1c2c(sc1-n1c(C)cc(C=C3C(=O)NC(=O)N(C4CCCCC4)C3=O)c1C)CCCC2 ZINC000033352784 553922462 /nfs/dbraw/zinc/92/24/62/553922462.db2.gz GPSFMBKIFWLGBF-RCCKNPSSSA-N 0 1 523.655 5.846 40 10 KKCBMN COc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCCOc1ccc(C(C)(C)C)cc1 ZINC000041076795 554292188 /nfs/dbraw/zinc/29/21/88/554292188.db2.gz BZTGADULHBARHX-XQNSMLJCSA-N 0 1 518.566 5.546 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000100321014 554305462 /nfs/dbraw/zinc/30/54/62/554305462.db2.gz CDYWMNPYNZPDIK-WQRHYEAKSA-N 0 1 557.853 5.521 40 10 KKCBMN COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(OC)c2OC)N3)c1 ZINC000058849426 554368829 /nfs/dbraw/zinc/36/88/29/554368829.db2.gz JABOJYDSLXHOPV-VKIDHGPPSA-N 0 1 522.623 5.348 40 10 KKCBMN O=C1NC(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccc(Br)cc12 ZINC000059087201 554372056 /nfs/dbraw/zinc/37/20/56/554372056.db2.gz QYHKPKAUWGIKGV-LPYMAVHISA-N 0 1 506.400 5.451 40 10 KKCBMN CCN1C(=O)NC(=O)C(=Cc2cn(Cc3c(F)cccc3Cl)c3ccc(Br)cc23)C1=O ZINC000059087290 554372176 /nfs/dbraw/zinc/37/21/76/554372176.db2.gz XKZVFPPZUJZEAT-OVCLIPMQSA-N 0 1 504.743 5.567 40 10 KKCBMN CCc1cccc(C)c1-n1c(C)cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1C ZINC000059104990 554379996 /nfs/dbraw/zinc/37/99/96/554379996.db2.gz MZLIACBBTSQIMT-UDWIEESQSA-N 0 1 512.462 6.943 40 10 KKCBMN Cc1c(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000059135995 554381949 /nfs/dbraw/zinc/38/19/49/554381949.db2.gz HWPLERRENJIEST-KGENOOAVSA-N 0 1 514.538 5.717 40 10 KKCBMN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(Cl)c(NC=C2C(=O)N(c3ccc(Cl)cc3)N=C2C)c1 ZINC000101141968 554653757 /nfs/dbraw/zinc/65/37/57/554653757.db2.gz APWFSAYAXCCMAD-OZEVPFDHSA-N 0 1 579.875 7.084 40 10 KKCBMN CCCCCc1ccc(C(=O)[C@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(OC)cc4C=C[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103060535 555241783 /nfs/dbraw/zinc/24/17/83/555241783.db2.gz QDRHTFDQEJVLLQ-VIFXNLTHSA-N 0 1 576.737 7.016 40 10 KKCBMN O=C(Nc1ccc2nc(Sc3ccc(C=C4C(=O)NC(=O)NC4=O)cc3[N+](=O)[O-])sc2c1)c1ccccc1Cl ZINC000103805989 555482006 /nfs/dbraw/zinc/48/20/06/555482006.db2.gz CJJUMOWIAGJHAY-UHFFFAOYSA-N 0 1 580.003 5.011 40 10 KKCBMN Cc1c(Br)c(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccccc1 ZINC000103845470 571363033 /nfs/dbraw/zinc/36/30/33/571363033.db2.gz FQNPZASUDPTUIM-XDHOZWIPSA-N 0 1 573.310 5.759 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000103851116 571364835 /nfs/dbraw/zinc/36/48/35/571364835.db2.gz BGXDYLUYQBBKQY-LZYBPNLTSA-N 0 1 610.288 6.314 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000103851796 571365147 /nfs/dbraw/zinc/36/51/47/571365147.db2.gz ACMCJQYLIUGRHM-VIZOYTHASA-N 0 1 570.256 6.850 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(Br)cc1OCc1ccccc1 ZINC000103852180 571365294 /nfs/dbraw/zinc/36/52/94/571365294.db2.gz YGLXTIPOWCRONQ-GZTJUZNOSA-N 0 1 541.398 5.007 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000103852083 571365305 /nfs/dbraw/zinc/36/53/05/571365305.db2.gz XWGMWEPUOSRXFA-LICLKQGHSA-N 0 1 559.388 5.146 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000103852535 571365422 /nfs/dbraw/zinc/36/54/22/571365422.db2.gz UHUVUTSDXXBKMO-WOJGMQOQSA-N 0 1 528.964 5.427 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(Br)cc1OCc1cccc2ccccc21 ZINC000103852233 571365496 /nfs/dbraw/zinc/36/54/96/571365496.db2.gz QGNYILXTXXIEPP-FYJGNVAPSA-N 0 1 591.458 6.160 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc2ccccc21 ZINC000103853337 571365841 /nfs/dbraw/zinc/36/58/41/571365841.db2.gz VVCDDEWMBDEFSE-PXLXIMEGSA-N 0 1 561.432 6.152 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000103860156 571367388 /nfs/dbraw/zinc/36/73/88/571367388.db2.gz GNURPAVCFYXEEN-ZDLGFXPLSA-N 0 1 549.277 5.995 40 10 KKCBMN COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Br)c2)N3)c1 ZINC000104649558 571382994 /nfs/dbraw/zinc/38/29/94/571382994.db2.gz BCTOXEOCBIKLNM-LZCXECNNSA-N 0 1 541.467 6.094 40 10 KKCBMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc(OC)c(OC)c(OC)c1)N2 ZINC000104649840 571383122 /nfs/dbraw/zinc/38/31/22/571383122.db2.gz LZVPVSNGVPUGFJ-ASHZAFPQSA-N 0 1 557.068 6.002 40 10 KKCBMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Br)N2 ZINC000104650601 571383288 /nfs/dbraw/zinc/38/32/88/571383288.db2.gz RNQDBPOAUDXUTK-ATLLOTDBSA-N 0 1 545.886 6.738 40 10 KKCBMN COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(/N=N/c6ccccc6)cc5O)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000104658643 571384659 /nfs/dbraw/zinc/38/46/59/571384659.db2.gz JJCAEOXDBNHWIY-AXPGCKJJSA-N 0 1 600.700 6.457 40 10 KKCBMN COc1ccc(N2N=C(c3ccccc3)C(=C(C)Nc3ccc(-c4nc5ccc(C)cc5s4)cc3)C2=O)cc1 ZINC000112232487 571434300 /nfs/dbraw/zinc/43/43/00/571434300.db2.gz QIKGGMRHGJVRTI-ANYBSYGZSA-N 0 1 530.653 7.417 40 10 KKCBMN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1F)c1ccccc1Cl ZINC000113510670 571439441 /nfs/dbraw/zinc/43/94/41/571439441.db2.gz IZFXZDPEJQJDDS-UHFFFAOYSA-N 0 1 543.403 6.417 40 10 KKCBMN Cc1c(Cl)cccc1N1C(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)C(=O)NC1=S ZINC000150350589 571461977 /nfs/dbraw/zinc/46/19/77/571461977.db2.gz ZCBJLLBLDFPBCH-DIBXZPPDSA-N 0 1 653.001 8.367 40 10 KKCBMN O=C(NCCCN1CCN(CCCNC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)CC1)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000150371749 571465873 /nfs/dbraw/zinc/46/58/73/571465873.db2.gz JRZRMFRSVBTDRV-CHQNLTHESA-N 0 1 646.800 7.858 40 10 KKCBMN CC(C)N1c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223560459 571502000 /nfs/dbraw/zinc/50/20/00/571502000.db2.gz VGFYIMXIKQWQDS-BRFSQIRFSA-N 0 1 516.494 6.325 40 10 KKCBMN Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3cccc(Br)c3)C1=O)[C@@H](C)CC(C)(C)N2C(C)C ZINC000223609615 571513186 /nfs/dbraw/zinc/51/31/86/571513186.db2.gz YLYHIIXAQASDBZ-QQZPLFJDSA-N 0 1 540.527 6.089 40 10 KKCBMN Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C1=O)[C@@H](C)CC(C)(C)N2C(C)C ZINC000223609883 571513216 /nfs/dbraw/zinc/51/32/16/571513216.db2.gz BUSXCCMGRGKDAH-QUYZQLMHSA-N 0 1 530.521 6.634 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000164387061 571546799 /nfs/dbraw/zinc/54/67/99/571546799.db2.gz XRAGGOBTQBHEQK-LZYBPNLTSA-N 0 1 657.288 6.156 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)c(I)c1 ZINC000164396910 571546921 /nfs/dbraw/zinc/54/69/21/571546921.db2.gz LUUSJIPWHIKUGH-GZTJUZNOSA-N 0 1 637.268 5.603 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1 ZINC000164396785 571547020 /nfs/dbraw/zinc/54/70/20/571547020.db2.gz NAMJQFVIHSQDBI-OQLLNIDSSA-N 0 1 627.262 6.147 40 10 KKCBMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(I)cc2)cc1 ZINC000164480367 571548899 /nfs/dbraw/zinc/54/88/99/571548899.db2.gz RNLUORARSHBKOL-FYJGNVAPSA-N 0 1 619.278 5.464 40 10 KKCBMN CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4sc5c(c4C(=O)Nc4ccc(C)cc4)CCCC5)c3C)C(=O)NC2=S)cc1 ZINC000164603327 571550191 /nfs/dbraw/zinc/55/01/91/571550191.db2.gz LMZQVBIHCGIEJO-TURZUDJPSA-N 0 1 638.815 6.825 40 10 KKCBMN Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3cccc(Br)c3)C1=O)[C@@H](C)CC(C)(C)N2C ZINC000208234371 571573508 /nfs/dbraw/zinc/57/35/08/571573508.db2.gz NUKLBWNCRWOKRO-BBJIBYMTSA-N 0 1 512.473 5.311 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000219005079 571604051 /nfs/dbraw/zinc/60/40/51/571604051.db2.gz OJTRBVCOEIUCEM-FYJGNVAPSA-N 0 1 537.981 5.057 40 10 KKCBMN CSc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1NC(=O)C(C)C ZINC000225825580 572074132 /nfs/dbraw/zinc/07/41/32/572074132.db2.gz OOUQQPJATOGJPM-UHFFFAOYSA-N 0 1 503.045 5.688 40 10 KKCBMN CCn1c(=O)n(CC)c2cc(NC=C3C(=O)N(c4cc(Cl)ccc4Cl)N=C3C)c(Br)cc21 ZINC000408526576 572157654 /nfs/dbraw/zinc/15/76/54/572157654.db2.gz BOECVTSZZQGBDG-KAMYIIQDSA-N 0 1 537.245 5.631 40 10 KKCBMN COc1cc(COc2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2)ccc1OCc1ccccc1 ZINC000408539468 572202583 /nfs/dbraw/zinc/20/25/83/572202583.db2.gz HXCGQYQVECIUQM-IMRQLAEWSA-N 0 1 550.636 5.685 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408540663 572206488 /nfs/dbraw/zinc/20/64/88/572206488.db2.gz UZGYTHZJOUVMJT-QQXSKIMKSA-N 0 1 629.134 6.737 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408541332 572208462 /nfs/dbraw/zinc/20/84/62/572208462.db2.gz CGZVKCDJOFJVQQ-OVVQPSECSA-N 0 1 583.710 5.348 40 10 KKCBMN O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)C1=CNc1ccc(Oc2ccccc2Cl)cc1 ZINC000408550064 572233358 /nfs/dbraw/zinc/23/33/58/572233358.db2.gz DEJIFCZRCOXQHQ-VBKFSLOCSA-N 0 1 502.354 5.669 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552157 572237747 /nfs/dbraw/zinc/23/77/47/572237747.db2.gz OSIQOPWAAWKZKW-MFOYZWKCSA-N 0 1 590.872 5.504 40 10 KKCBMN CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408587196 572266526 /nfs/dbraw/zinc/26/65/26/572266526.db2.gz SDLAMGWMHWJUBO-UHFFFAOYSA-N 0 1 569.466 6.676 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(Cl)cc3)C2=O)cc1OCC ZINC000409191291 1069798742 /nfs/dbraw/zinc/79/87/42/1069798742.db2.gz USBWPSLKSNJLQV-LFVJCYFKSA-N 0 1 583.468 6.422 40 10 KKCBMN Cc1ccccc1N1C(=O)/C(=C/c2cn(CCSc3ccc(Cl)cc3)c3ccccc23)C(=O)NC1=S ZINC000408771304 1069871082 /nfs/dbraw/zinc/87/10/82/1069871082.db2.gz FKZADERGCXRGEW-XQNSMLJCSA-N 0 1 532.090 6.227 40 10 KKCBMN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Br)cc4Br)c(OC)c3)C(=O)NC2=S)cc1 ZINC000408768140 1069872592 /nfs/dbraw/zinc/87/25/92/1069872592.db2.gz TZSACEJHIBVHBG-CIAFOILYSA-N 0 1 646.357 6.029 40 10 KKCBMN O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cn(CCSc2ccc(Cl)cc2)c2ccccc12 ZINC000408768475 1069874135 /nfs/dbraw/zinc/87/41/35/1069874135.db2.gz WZESKSISVFLCMD-FYJGNVAPSA-N 0 1 586.953 7.225 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cn(CCSc4ccc(Cl)cc4)c4ccccc34)C(=O)NC2=S)cc1 ZINC000408774046 1069889009 /nfs/dbraw/zinc/88/90/09/1069889009.db2.gz VKKBKAQCDGINEE-KOEQRZSOSA-N 0 1 546.117 6.481 40 10 KKCBMN Cc1cc(Br)ccc1N1C(=O)/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)C(=O)NC1=S ZINC000408779414 1069900786 /nfs/dbraw/zinc/90/07/86/1069900786.db2.gz DSTXBGFQFDUEMO-CXUHLZMHSA-N 0 1 640.821 6.962 40 10 KKCBMN CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)c3C)C(=O)NC2=S)cc1 ZINC000408782096 1069906166 /nfs/dbraw/zinc/90/61/66/1069906166.db2.gz VQUNCTKDTOSRAO-KBVAKVRCSA-N 0 1 579.766 6.792 40 10 KKCBMN CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4sc5c(c4C(=O)OC)CCCC5)c3C)C(=O)NC2=S)cc1 ZINC000408782868 1069908279 /nfs/dbraw/zinc/90/82/79/1069908279.db2.gz KOPGFTITVIBNQA-PXLXIMEGSA-N 0 1 563.701 5.051 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Cl)c3)C(=O)NC2=S)cc1 ZINC000408784360 1069911663 /nfs/dbraw/zinc/91/16/63/1069911663.db2.gz RYAYQUDFRAAHQW-LICLKQGHSA-N 0 1 577.924 5.899 40 10 KKCBMN Cc1cccc(N2C(=O)/C(=C/c3cn(CCSc4ccc(Cl)cc4)c4ccccc34)C(=O)NC2=S)c1C ZINC000408789758 1069918497 /nfs/dbraw/zinc/91/84/97/1069918497.db2.gz KYZZTJMRHGXPIU-LFVJCYFKSA-N 0 1 546.117 6.535 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408786719 1069922172 /nfs/dbraw/zinc/92/21/72/1069922172.db2.gz VBIZGRLAMZNTBZ-LPYMAVHISA-N 0 1 598.462 5.327 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1 ZINC000408843978 1070049662 /nfs/dbraw/zinc/04/96/62/1070049662.db2.gz GJCYRVSAUVWKBN-OVCLIPMQSA-N 0 1 722.613 7.424 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408846397 1070053788 /nfs/dbraw/zinc/05/37/88/1070053788.db2.gz JEWCNMHMVLMCKO-CXUHLZMHSA-N 0 1 637.295 6.083 40 10 KKCBMN CCOc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1I ZINC000408847481 1070055809 /nfs/dbraw/zinc/05/58/09/1070055809.db2.gz MYNSJCFPPALCRQ-UXBLZVDNSA-N 0 1 626.097 5.591 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)ccc1OCc1ccc(F)cc1 ZINC000408848613 1070060895 /nfs/dbraw/zinc/06/08/95/1070060895.db2.gz RWDLIZUZMLKOEF-GZTJUZNOSA-N 0 1 531.392 5.551 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(OCc2ccccc2F)c(I)c1 ZINC000408852059 1070058790 /nfs/dbraw/zinc/05/87/90/1070058790.db2.gz HLKWJUWPVNMMTE-XNTDXEJSSA-N 0 1 627.262 6.147 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408849729 1070062701 /nfs/dbraw/zinc/06/27/01/1070062701.db2.gz YTIFMGTYKZJLTE-LDADJPATSA-N 0 1 606.325 6.565 40 10 KKCBMN Cc1c(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc2n1Cc1ccccc1F ZINC000408856449 1070066505 /nfs/dbraw/zinc/06/65/05/1070066505.db2.gz KEQBAKCHIKTPAV-CPNJWEJPSA-N 0 1 538.431 6.275 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1 ZINC000408856672 1070067188 /nfs/dbraw/zinc/06/71/88/1070067188.db2.gz JOSDACNVICSRQL-RIYZIHGNSA-N 0 1 631.162 7.473 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)c(I)c1 ZINC000408854556 1070072335 /nfs/dbraw/zinc/07/23/35/1070072335.db2.gz IGCJVTXWYGRZFD-MHWRWJLKSA-N 0 1 688.168 6.771 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000408854441 1070072478 /nfs/dbraw/zinc/07/24/78/1070072478.db2.gz FWDFJMXNVKZGFB-CXUHLZMHSA-N 0 1 610.288 6.314 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)c(I)c1 ZINC000408854807 1070073538 /nfs/dbraw/zinc/07/35/38/1070073538.db2.gz BQLUWDMKUBWKSS-MHWRWJLKSA-N 0 1 627.262 6.147 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408869946 1070081215 /nfs/dbraw/zinc/08/12/15/1070081215.db2.gz UMAZHDRVNOTJCF-NDENLUEZSA-N 0 1 571.880 5.912 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1c(OCc2ccc(Br)cc2)ccc2ccccc21 ZINC000408875882 1070108855 /nfs/dbraw/zinc/10/88/55/1070108855.db2.gz LYNCQLGADOHOPL-JLPGSUDCSA-N 0 1 543.442 6.013 40 10 KKCBMN O=C1/C(=C\c2cc(Br)c(O)c(I)c2)SC(=S)N1c1ccccc1 ZINC000408902128 1070160966 /nfs/dbraw/zinc/16/09/66/1070160966.db2.gz KOLDRQNCYGGVNJ-MDWZMJQESA-N 0 1 518.195 5.165 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408917358 1070207701 /nfs/dbraw/zinc/20/77/01/1070207701.db2.gz RUJMDDHNMZGXBD-GRSHGNNSSA-N 0 1 514.937 5.037 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1c(C)cc(C)cc1C ZINC000408985823 1070347214 /nfs/dbraw/zinc/34/72/14/1070347214.db2.gz BCYNSUFWBVTCSE-HZHRSRAPSA-N 0 1 500.620 5.421 40 10 KKCBMN O=C(Nc1ccc2nc(Sc3ccc(/C=C4\C(=O)NC(=S)N(c5ccccc5)C4=O)cc3[N+](=O)[O-])sc2c1)c1ccccc1Cl ZINC000408987500 1070349813 /nfs/dbraw/zinc/34/98/13/1070349813.db2.gz BFNLLFIYNVHHBT-KGENOOAVSA-N 0 1 672.169 7.093 40 10 KKCBMN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(I)cc4)cc3)C(=O)NC2=S)cc1 ZINC000408995274 1070363387 /nfs/dbraw/zinc/36/33/87/1070363387.db2.gz LRDHLDZBEHSTAX-HZHRSRAPSA-N 0 1 584.435 5.100 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C\c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1C ZINC000408988476 1070360931 /nfs/dbraw/zinc/36/09/31/1070360931.db2.gz DOUMKRKIICUENJ-LDADJPATSA-N 0 1 546.655 5.804 40 10 KKCBMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(I)cc2)cc1 ZINC000408993949 1070369710 /nfs/dbraw/zinc/36/97/10/1070369710.db2.gz DVBXTFVCENDFSW-FYJGNVAPSA-N 0 1 574.827 5.355 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)[C@H]7CCCC[C@@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1C ZINC000408993850 1070369823 /nfs/dbraw/zinc/36/98/23/1070369823.db2.gz XFVWSIMAUAFCQX-ZZTJDXDDSA-N 0 1 697.820 6.483 40 10 KKCBMN Cc1cccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)c3ccccc32)c1 ZINC000409001650 1070377698 /nfs/dbraw/zinc/37/76/98/1070377698.db2.gz PYEVOYXDLHIPLJ-CIAFOILYSA-N 0 1 520.441 6.136 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)C(=O)NC2=S)c(OC)c1 ZINC000409104111 1070528615 /nfs/dbraw/zinc/52/86/15/1070528615.db2.gz DQVZZGITEDVGSI-GZTJUZNOSA-N 0 1 530.433 5.249 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409095593 1070529086 /nfs/dbraw/zinc/52/90/86/1070529086.db2.gz IJACNGOPQWWIMS-RWPZCVJISA-N 0 1 584.185 7.355 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409122906 1070548084 /nfs/dbraw/zinc/54/80/84/1070548084.db2.gz CHJDQJDCVLFOFT-WPWMEQJKSA-N 0 1 582.707 6.602 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(F)c4)c(Br)c3)C2=O)cc1OC ZINC000409149044 1070567239 /nfs/dbraw/zinc/56/72/39/1070567239.db2.gz WHFALQLZXANXQO-LPYMAVHISA-N 0 1 597.437 5.627 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2Br)cc1 ZINC000409187463 1070596294 /nfs/dbraw/zinc/59/62/94/1070596294.db2.gz QRNQMDXJKSFHAU-UDWIEESQSA-N 0 1 572.278 5.622 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccc(Br)cc4)c(Br)c3)C2=O)cc1OCC ZINC000409188715 1070596770 /nfs/dbraw/zinc/59/67/70/1070596770.db2.gz FOCLWKCSFGHWKO-WSDLNYQXSA-N 0 1 751.266 7.403 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)cc(Cl)c3OS(=O)(=O)c3ccccc3)C2=O)cc1OCC ZINC000409194204 1070612802 /nfs/dbraw/zinc/61/28/02/1070612802.db2.gz OTRNXFKZSTYSTP-PXLXIMEGSA-N 0 1 633.506 5.611 40 10 KKCBMN CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Br)c(Cl)c4)o3)C(=O)NC2=S)cc1 ZINC000409230691 1070656731 /nfs/dbraw/zinc/65/67/31/1070656731.db2.gz FNPOSQAQSHQDRB-LDADJPATSA-N 0 1 529.843 6.317 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C ZINC000409270056 1070704681 /nfs/dbraw/zinc/70/46/81/1070704681.db2.gz BNHUYPNXVJNPFJ-BKUYFWCQSA-N 0 1 608.514 5.313 40 10 KKCBMN Cc1ccc(COc2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2Br)cc1 ZINC000408880363 1070788262 /nfs/dbraw/zinc/78/82/62/1070788262.db2.gz INRJKSCPJBVDGP-MOSHPQCFSA-N 0 1 507.409 5.168 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1Cc1ccccc1Br ZINC000408880981 1070785145 /nfs/dbraw/zinc/78/51/45/1070785145.db2.gz KYTOTXSQWFBNIA-ODLFYWEKSA-N 0 1 541.854 5.533 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408897199 1070823880 /nfs/dbraw/zinc/82/38/80/1070823880.db2.gz QQMPXBGOBHZBNL-MTJSOVHGSA-N 0 1 551.462 5.485 40 10 KKCBMN Cc1cccc(N2C(=O)/C(=C/c3cc(I)c(O)c(I)c3)SC2=S)c1 ZINC000409339694 1070845274 /nfs/dbraw/zinc/84/52/74/1070845274.db2.gz KSIZBWZMEJSNDD-ZSOIEALJSA-N 0 1 579.222 5.316 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1OCc1ccccc1Cl ZINC000408890330 1070883227 /nfs/dbraw/zinc/88/32/27/1070883227.db2.gz RNDUUHMNZHPANB-UYRXBGFRSA-N 0 1 527.827 5.513 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccccc1Br ZINC000408890126 1070884215 /nfs/dbraw/zinc/88/42/15/1070884215.db2.gz OFYOFUHWWHLUGZ-WQRHYEAKSA-N 0 1 649.304 5.473 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccccc4F)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409378590 1070905314 /nfs/dbraw/zinc/90/53/14/1070905314.db2.gz QGFSPCHPQBPPRS-UDWIEESQSA-N 0 1 569.452 5.570 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)c(Br)c3)C(=O)NC2=S)cc1 ZINC000409386886 1070909184 /nfs/dbraw/zinc/90/91/84/1070909184.db2.gz OIORKIVSAMMPHL-FYJGNVAPSA-N 0 1 539.426 5.561 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408898123 1070961668 /nfs/dbraw/zinc/96/16/68/1070961668.db2.gz KRYZCHFKIRZVCK-WQRHYEAKSA-N 0 1 541.398 5.007 40 10 KKCBMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(Br)ccc1OCc1cccc2ccccc21 ZINC000408916983 1070996598 /nfs/dbraw/zinc/99/65/98/1070996598.db2.gz JZYMFCPIVXSNDK-IWIPYMOSSA-N 0 1 561.432 6.152 40 10 KKCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc2ccccc21 ZINC000408695561 1071383719 /nfs/dbraw/zinc/38/37/19/1071383719.db2.gz WFUSLNZZVQBRDI-HZHRSRAPSA-N 0 1 519.395 5.586 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000408694552 1071387107 /nfs/dbraw/zinc/38/71/07/1071387107.db2.gz JQRJIFKQLXFIEE-YBFXNURJSA-N 0 1 547.833 5.485 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408692940 1071392585 /nfs/dbraw/zinc/39/25/85/1071392585.db2.gz YWYHMAJLXGJOCY-CAOOACKPSA-N 0 1 523.800 5.639 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCc1ccc2ccccc2c1 ZINC000408692801 1071393139 /nfs/dbraw/zinc/39/31/39/1071393139.db2.gz VSVCNRWGDDZJBY-OEAKJJBVSA-N 0 1 518.997 5.875 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408692337 1071394707 /nfs/dbraw/zinc/39/47/07/1071394707.db2.gz KDNFGPJFWYNKQJ-XKZIYDEJSA-N 0 1 549.421 5.594 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(Br)cc1OCc1ccccc1Cl ZINC000408692317 1071394983 /nfs/dbraw/zinc/39/49/83/1071394983.db2.gz JQSCSQGNOUSPJU-LICLKQGHSA-N 0 1 533.806 5.095 40 10 KKCBMN O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000408964057 1071419997 /nfs/dbraw/zinc/41/99/97/1071419997.db2.gz BIGVJYXKKQHTKR-ZROIWOOFSA-N 0 1 550.749 5.241 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCc1c(C)cc(C)cc1C ZINC000408987123 1071482370 /nfs/dbraw/zinc/48/23/70/1071482370.db2.gz DNUZFFYGGFUSPP-BUVRLJJBSA-N 0 1 530.646 5.429 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)c7ccccc7C6=O)cc5s4)o3)C(=O)NC2=S)cc1Cl ZINC000408987089 1071482463 /nfs/dbraw/zinc/48/24/63/1071482463.db2.gz AGIWTSTXFAOKNF-KGENOOAVSA-N 0 1 657.154 6.634 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1cc(OC)ccc1OC ZINC000408985212 1071501746 /nfs/dbraw/zinc/50/17/46/1071501746.db2.gz AFYHEBKHWPHAPB-ZVHZXABRSA-N 0 1 546.645 5.130 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408722830 1071531019 /nfs/dbraw/zinc/53/10/19/1071531019.db2.gz NQQPRWHBFRSYPQ-VXLYETTFSA-N 0 1 592.298 6.175 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408722582 1071532710 /nfs/dbraw/zinc/53/27/10/1071532710.db2.gz LFOPKQFFWJQNEB-DJKKODMXSA-N 0 1 640.770 7.218 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408722257 1071533981 /nfs/dbraw/zinc/53/39/81/1071533981.db2.gz FXAGDXQFXIVWJA-LZYBPNLTSA-N 0 1 673.743 6.670 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408722114 1071534975 /nfs/dbraw/zinc/53/49/75/1071534975.db2.gz DZIQQGQPOKLUKV-CNHKJKLMSA-N 0 1 626.743 6.828 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1c(C)cc(C)cc1C ZINC000408994360 1071559842 /nfs/dbraw/zinc/55/98/42/1071559842.db2.gz YWVNPDIWLMXICW-MFKUBSTISA-N 0 1 528.674 6.038 40 10 KKCBMN O=C(Nc1ccc2nc(Sc3ccc(/C=C4\C(=O)NC(=S)N(c5ccccc5)C4=O)cc3[N+](=O)[O-])sc2c1)c1ccccc1 ZINC000408992598 1071572128 /nfs/dbraw/zinc/57/21/28/1071572128.db2.gz SOSVDBPPOASENL-PXLXIMEGSA-N 0 1 637.724 6.439 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1 ZINC000408992415 1071572702 /nfs/dbraw/zinc/57/27/02/1071572702.db2.gz RRPMYTLPNBXDSH-LICLKQGHSA-N 0 1 577.625 5.404 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(NC(=O)c6ccc(Cl)cc6)cc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)c(C)c1 ZINC000408991171 1071582609 /nfs/dbraw/zinc/58/26/09/1071582609.db2.gz NCNQWWSCQGCABD-OEAKJJBVSA-N 0 1 700.223 7.710 40 10 KKCBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(NC(=O)c6ccccc6)cc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)c1 ZINC000408990288 1071589751 /nfs/dbraw/zinc/58/97/51/1071589751.db2.gz KHQHPTZJNXFURR-BUVRLJJBSA-N 0 1 665.778 7.056 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)c7ccccc7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)c(C)c1 ZINC000408989796 1071595286 /nfs/dbraw/zinc/59/52/86/1071595286.db2.gz IXQKRGRCSCSNIT-OEAKJJBVSA-N 0 1 691.772 6.604 40 10 KKCBMN Cc1ccc(-c2ccc(/C=C3/C(=O)NC(=S)N(c4ccc(Br)cc4C)C3=O)o2)c(Br)c1 ZINC000408739889 1071602129 /nfs/dbraw/zinc/60/21/29/1071602129.db2.gz BLQVQOGUUCWTRO-BOPFTXTBSA-N 0 1 560.267 5.920 40 10 KKCBMN Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(/C=C5/C(=O)NC(=S)N(c6ccc(C)cc6)C5=O)cc4[N+](=O)[O-])sc3c2)cc1 ZINC000408987604 1071611983 /nfs/dbraw/zinc/61/19/83/1071611983.db2.gz BKCQTVRPFFQUBC-BUVRLJJBSA-N 0 1 665.778 7.056 40 10 KKCBMN O=C1c2ccccc2C(=O)N1c1ccc2nc(Sc3ccc(/C=C4\C(=O)NC(=S)N(c5ccccc5)C4=O)cc3[N+](=O)[O-])sc2c1 ZINC000408987453 1071613433 /nfs/dbraw/zinc/61/34/33/1071613433.db2.gz BBDDGRABNYPVHF-HYARGMPZSA-N 0 1 663.718 5.988 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408997070 1071615373 /nfs/dbraw/zinc/61/53/73/1071615373.db2.gz QPPLKIKKXYLRGP-NTEUORMPSA-N 0 1 689.184 7.076 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 ZINC000408743682 1071617962 /nfs/dbraw/zinc/61/79/62/1071617962.db2.gz XAJWIQZONZRGMJ-VEILYXNESA-N 0 1 638.974 8.059 40 10 KKCBMN CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(Br)cc4C)C3=O)o2)cc1 ZINC000408743362 1071618402 /nfs/dbraw/zinc/61/84/02/1071618402.db2.gz VWZYWHVTUSFEIE-CPNJWEJPSA-N 0 1 539.407 5.026 40 10 KKCBMN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(OCc3ccccc3)c(Br)c2)C(=O)NC1=S ZINC000408743212 1071618949 /nfs/dbraw/zinc/61/89/49/1071618949.db2.gz VKPNZPVLALEEQZ-XDHOZWIPSA-N 0 1 586.305 5.930 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000408742555 1071620577 /nfs/dbraw/zinc/62/05/77/1071620577.db2.gz RPYVFJVOOKCJFT-QQXSKIMKSA-N 0 1 556.485 6.355 40 10 KKCBMN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)C(=O)NC1=S ZINC000408742444 1071621157 /nfs/dbraw/zinc/62/11/57/1071621157.db2.gz QYZIPQHPVSCAMS-YBFXNURJSA-N 0 1 665.201 6.693 40 10 KKCBMN CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)c2-c2ccccc2)cc1 ZINC000408742197 1071622274 /nfs/dbraw/zinc/62/22/74/1071622274.db2.gz NUVWWSZYJMZCTI-MWAVMZGNSA-N 0 1 604.131 7.695 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408740779 1071628358 /nfs/dbraw/zinc/62/83/58/1071628358.db2.gz IBEHYHJSOZFJRP-UDWIEESQSA-N 0 1 616.331 5.939 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1C1CCCCC1 ZINC000408740626 1071629119 /nfs/dbraw/zinc/62/91/19/1071629119.db2.gz HORCBMGPGIRZRW-DEDYPNTBSA-N 0 1 500.462 5.512 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408740336 1071630217 /nfs/dbraw/zinc/63/02/17/1071630217.db2.gz FPHOMXPQTYJSOQ-ODLFYWEKSA-N 0 1 571.880 5.830 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408740233 1071631392 /nfs/dbraw/zinc/63/13/92/1071631392.db2.gz FBJZOCQHWPWCLQ-FSJBWODESA-N 0 1 699.364 6.626 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408740297 1071631483 /nfs/dbraw/zinc/63/14/83/1071631483.db2.gz FJXLTTDSOXDZGS-YBFXNURJSA-N 0 1 616.331 5.939 40 10 KKCBMN CCCCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(Sc4ccccc4)o3)C(=O)NC2=S)cc1 ZINC000409003822 1071635661 /nfs/dbraw/zinc/63/56/61/1071635661.db2.gz VGFKGKQJQLFVJF-XSFVSMFZSA-N 0 1 541.492 6.367 40 10 KKCBMN CC(C)(C)OC(=O)N[C@H](Cc1cc(I)c(O)c(I)c1)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000409001566 1071644548 /nfs/dbraw/zinc/64/45/48/1071644548.db2.gz JCYBTNDHVKXPIS-MWDFCAMCSA-N 0 1 712.326 7.091 40 10 KKCBMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000408759609 1071699915 /nfs/dbraw/zinc/69/99/15/1071699915.db2.gz HZDXKBUDYNPBHX-ATLLOTDBSA-N 0 1 534.987 6.995 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408766750 1071719076 /nfs/dbraw/zinc/71/90/76/1071719076.db2.gz FYHMMFOPACXRHF-MUFRIFMGSA-N 0 1 535.713 6.393 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(Oc5ccc([N+](=O)[O-])cn5)cc4)c3C)C(=O)NC2=S)cc1 ZINC000408765067 1071725552 /nfs/dbraw/zinc/72/55/52/1071725552.db2.gz WEXLKBWEHHSHGA-MYYYXRDXSA-N 0 1 569.599 5.030 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408776944 1071747611 /nfs/dbraw/zinc/74/76/11/1071747611.db2.gz SXBQIXDADMXKIW-BUVRLJJBSA-N 0 1 597.609 5.843 40 10 KKCBMN COC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)c1C)CCCC2 ZINC000408775992 1071751472 /nfs/dbraw/zinc/75/14/72/1071751472.db2.gz LWSAQDLTRKEUSZ-KGENOOAVSA-N 0 1 547.702 5.269 40 10 KKCBMN CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)c2C)cc1 ZINC000408773002 1071771302 /nfs/dbraw/zinc/77/13/02/1071771302.db2.gz OVPFLYVJCKYISF-CPNJWEJPSA-N 0 1 542.444 5.409 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C/c3cn(CCSc4ccc(Cl)cc4)c4ccccc34)C(=O)NC2=S)cc1 ZINC000408771782 1071778311 /nfs/dbraw/zinc/77/83/11/1071778311.db2.gz IVFNKPQVNGWKAI-LFVJCYFKSA-N 0 1 548.089 5.927 40 10 KKCBMN O=C(OC1C(=O)N(c2ccc(N=Nc3ccccc3)cc2)C(=O)[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000409279892 1071778322 /nfs/dbraw/zinc/77/83/22/1071778322.db2.gz ADHXSHQRULQVPF-NMJJKKRCSA-N 0 1 519.513 5.426 40 10 KKCBMN O=C(O[C@@H]1C(=O)N(c2ccc(N=Nc3ccccc3)cc2)C(=O)[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000409279892 1071778332 /nfs/dbraw/zinc/77/83/32/1071778332.db2.gz ADHXSHQRULQVPF-NMJJKKRCSA-N 0 1 519.513 5.426 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408769418 1071792880 /nfs/dbraw/zinc/79/28/80/1071792880.db2.gz UHGGYNRPQHYNPT-OGLMXYFKSA-N 0 1 614.565 6.884 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408769159 1071794945 /nfs/dbraw/zinc/79/49/45/1071794945.db2.gz PFWGWMRMZGMLOS-STBIYBPSSA-N 0 1 614.565 6.884 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408781655 1071814996 /nfs/dbraw/zinc/81/49/96/1071814996.db2.gz DWRORWWEIVZZCZ-AFUMVMLFSA-N 0 1 655.401 7.574 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(-c2ccccc2)n1-c1ccccc1 ZINC000408780575 1071823741 /nfs/dbraw/zinc/82/37/41/1071823741.db2.gz FJPVZQANNCZKAT-PXLXIMEGSA-N 0 1 532.452 6.591 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cn(CCSc2ccc(Cl)cc2)c2ccccc12 ZINC000408779020 1071832035 /nfs/dbraw/zinc/83/20/35/1071832035.db2.gz OYPURANKDBRICL-XSFVSMFZSA-N 0 1 586.953 7.225 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408777620 1071842057 /nfs/dbraw/zinc/84/20/57/1071842057.db2.gz DMPWHJSJMSVZIT-ZMOGYAJESA-N 0 1 618.027 6.188 40 10 KKCBMN COC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)c1C)CCCC2 ZINC000408782599 1071875564 /nfs/dbraw/zinc/87/55/64/1071875564.db2.gz KWBJYPUHUZPAJT-DEDYPNTBSA-N 0 1 554.093 5.306 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)cc3)C(=O)NC2=S)c(OC)c1 ZINC000409101180 1072316305 /nfs/dbraw/zinc/31/63/05/1072316305.db2.gz WDIZTZFXXMGMLW-DEDYPNTBSA-N 0 1 511.024 5.340 40 10 KKCBMN COc1cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409330756 1072373831 /nfs/dbraw/zinc/37/38/31/1072373831.db2.gz LWGJBYSPOXXULA-VXLYETTFSA-N 0 1 581.575 6.022 40 10 KKCBMN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000409329619 1072383515 /nfs/dbraw/zinc/38/35/15/1072383515.db2.gz GKESGRYEXUGLQL-PCLIKHOPSA-N 0 1 546.695 6.425 40 10 KKCBMN Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)NC1=S ZINC000409108859 1072403568 /nfs/dbraw/zinc/40/35/68/1072403568.db2.gz YHXWHOASUCXOOP-XNTDXEJSSA-N 0 1 502.335 5.301 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4ccc(F)cc4)c(OC)c3)C2=O)cc1OC ZINC000409123282 1072417444 /nfs/dbraw/zinc/41/74/44/1072417444.db2.gz BPKLNGCUXSPFPZ-WSDLNYQXSA-N 0 1 674.463 5.477 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409122623 1072421022 /nfs/dbraw/zinc/42/10/22/1072421022.db2.gz AJHNFMQKGWTWOJ-BUVRLJJBSA-N 0 1 579.049 5.777 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cccc(OCc4cccc(Cl)c4)c3)C2=O)cc1OC ZINC000409126633 1072451914 /nfs/dbraw/zinc/45/19/14/1072451914.db2.gz LWAWHRASHODWNH-IWIPYMOSSA-N 0 1 534.996 5.378 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccc(F)cc4)c(Br)c3)C2=O)cc1OC ZINC000409125897 1072457697 /nfs/dbraw/zinc/45/76/97/1072457697.db2.gz DEDQRRNWYIQXQB-SRZZPIQSSA-N 0 1 676.333 6.389 40 10 KKCBMN O=C(NN1C(=O)/C(=C\c2cccc(OCc3c(F)cccc3Cl)c2)SC1=S)c1cccs1 ZINC000409338705 1072482540 /nfs/dbraw/zinc/48/25/40/1072482540.db2.gz ORNOPXHHHRDZKV-YBFXNURJSA-N 0 1 505.017 5.666 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)C(=O)NC2=S)c(C)c1 ZINC000409135139 1072486158 /nfs/dbraw/zinc/48/61/58/1072486158.db2.gz UTXCKVBFDCAPNI-WSDLNYQXSA-N 0 1 534.468 6.445 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409133041 1072501971 /nfs/dbraw/zinc/50/19/71/1072501971.db2.gz MBSANAZPJIACBI-YDZHTSKRSA-N 0 1 657.945 6.540 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccccc4Cl)c(Cl)c3)C2=O)cc1OC ZINC000409129987 1072517826 /nfs/dbraw/zinc/51/78/26/1072517826.db2.gz LNTBDAQCECDIKP-RGVLZGJSSA-N 0 1 603.886 6.685 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C(=O)NC2=S)c(C)c1 ZINC000409129198 1072521191 /nfs/dbraw/zinc/52/11/91/1072521191.db2.gz FMDSWVXECBHQPQ-BOPFTXTBSA-N 0 1 526.368 5.065 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3c(OCc4ccccc4Cl)ccc4ccccc43)C2=O)cc1OC ZINC000409144749 1072532057 /nfs/dbraw/zinc/53/20/57/1072532057.db2.gz PSJAVODNJDMYGT-NLRVBDNBSA-N 0 1 585.056 6.532 40 10 KKCBMN Cc1ccc(OCCn2cc(/C=C3\C(=O)NC(=O)N(Cc4ccccc4)C3=O)c3cc(Br)ccc32)cc1 ZINC000409144499 1072533929 /nfs/dbraw/zinc/53/39/29/1072533929.db2.gz LJSGLEVOMRIRDT-MFKUBSTISA-N 0 1 558.432 5.453 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc5ccccc54)c(Br)c3)C2=O)cc1OC ZINC000409142516 1072547725 /nfs/dbraw/zinc/54/77/25/1072547725.db2.gz KQRGCIYIVOPAAA-WGOQTCKBSA-N 0 1 629.507 6.641 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409137475 1072574864 /nfs/dbraw/zinc/57/48/64/1072574864.db2.gz VJMLMNBNGYAZFT-WPWMEQJKSA-N 0 1 582.707 6.602 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000409146525 1072580565 /nfs/dbraw/zinc/58/05/65/1072580565.db2.gz TWIOVAWDUFLZHC-WPWMEQJKSA-N 0 1 570.114 6.775 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccccc3Cl)C2=O)cc1OC ZINC000409146387 1072581502 /nfs/dbraw/zinc/58/15/02/1072581502.db2.gz SMHMBIAUWVHXLK-CJLVFECKSA-N 0 1 534.996 5.378 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc5ccccc54)c(Cl)c3)C2=O)cc1OC ZINC000409145563 1072586998 /nfs/dbraw/zinc/58/69/98/1072586998.db2.gz IVBHOKXUFOWGEN-WGOQTCKBSA-N 0 1 585.056 6.532 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OCc4cccc5ccccc54)cc3Br)C(=O)NC2=S)cc1 ZINC000409377036 1072626092 /nfs/dbraw/zinc/62/60/92/1072626092.db2.gz FLZYVPWMHDQIRW-MFKUBSTISA-N 0 1 601.522 6.584 40 10 KKCBMN CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)NC(=S)N(c4ccc(CC)cc4)C3=O)c2-c2ccccc2)cc1 ZINC000409376767 1072627395 /nfs/dbraw/zinc/62/73/95/1072627395.db2.gz AYGYOHNXDFMPFS-SJIPCVTESA-N 0 1 625.750 7.382 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4Br)c3C)C(=O)NC2=S)cc1 ZINC000409376715 1072628432 /nfs/dbraw/zinc/62/84/32/1072628432.db2.gz AGXSLDMULPIJFD-XSFVSMFZSA-N 0 1 508.441 5.250 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Br)cc4)c(Br)c3)C(=O)NC2=S)cc1 ZINC000409376533 1072629008 /nfs/dbraw/zinc/62/90/08/1072629008.db2.gz YWCAGYIKGCGUBE-FYJGNVAPSA-N 0 1 600.332 6.184 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4F)c(Br)c3)C(=O)NC2=S)cc1 ZINC000409375381 1072632809 /nfs/dbraw/zinc/63/28/09/1072632809.db2.gz JYSMNOQCBFQGOO-DEDYPNTBSA-N 0 1 539.426 5.561 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409374298 1072638196 /nfs/dbraw/zinc/63/81/96/1072638196.db2.gz LVHCJJJSLYWYAT-VXLYETTFSA-N 0 1 559.800 5.335 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc1OC ZINC000409148558 1072641124 /nfs/dbraw/zinc/64/11/24/1072641124.db2.gz ZVKPSJHIYBURHC-PCLIKHOPSA-N 0 1 514.578 5.033 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409372378 1072645414 /nfs/dbraw/zinc/64/54/14/1072645414.db2.gz KOLAKHXVWAYUHI-REZTVBANSA-N 0 1 580.218 5.599 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409372281 1072645991 /nfs/dbraw/zinc/64/59/91/1072645991.db2.gz JWVNNISWGBMMQM-FRKPEAEDSA-N 0 1 535.767 5.489 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000409372319 1072646630 /nfs/dbraw/zinc/64/66/30/1072646630.db2.gz DEFWDGNXSCDDMV-LFVJCYFKSA-N 0 1 568.655 5.542 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409370959 1072651321 /nfs/dbraw/zinc/65/13/21/1072651321.db2.gz AKSIJFMZFZXSRM-REZTVBANSA-N 0 1 535.767 5.489 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409370446 1072654928 /nfs/dbraw/zinc/65/49/28/1072654928.db2.gz QYOSYFLTRYTNBP-LPYMAVHISA-N 0 1 657.486 5.571 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409378047 1072678427 /nfs/dbraw/zinc/67/84/27/1072678427.db2.gz MUHKHYICOVWERG-WGOQTCKBSA-N 0 1 615.549 6.974 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000409385188 1072695291 /nfs/dbraw/zinc/69/52/91/1072695291.db2.gz GOHKNXCXEUZJIU-OEAKJJBVSA-N 0 1 579.516 6.129 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3c(OCc4ccc(Cl)cc4)ccc4ccccc43)C(=O)NC2=S)cc1 ZINC000409382740 1072705157 /nfs/dbraw/zinc/70/51/57/1072705157.db2.gz OHJDEOZRIWUDDF-YZSQISJMSA-N 0 1 527.045 6.466 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(OCc5ccccc5F)cc4)c3C)C(=O)NC2=S)cc1 ZINC000409382316 1072707047 /nfs/dbraw/zinc/70/70/47/1072707047.db2.gz ZTPUAIJWNHRJHF-MTDXEUNCSA-N 0 1 553.659 6.206 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000409381548 1072711811 /nfs/dbraw/zinc/71/18/11/1072711811.db2.gz GIBBWRXRPYAMPG-UDWIEESQSA-N 0 1 634.379 7.127 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409381236 1072713569 /nfs/dbraw/zinc/71/35/69/1072713569.db2.gz DVGWCPSYJXXFLC-LPYMAVHISA-N 0 1 582.053 5.289 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3c(OCc4ccc(F)cc4)ccc4ccccc43)C(=O)NC2=S)cc1 ZINC000409381034 1072714723 /nfs/dbraw/zinc/71/47/23/1072714723.db2.gz DESDIIYJVHUCTQ-YZSQISJMSA-N 0 1 510.590 5.952 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(I)c3)C(=O)NC2=S)cc1 ZINC000409380779 1072716398 /nfs/dbraw/zinc/71/63/98/1072716398.db2.gz ANKKJQMCKVQXFI-FYJGNVAPSA-N 0 1 613.433 5.172 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409379711 1072721865 /nfs/dbraw/zinc/72/18/65/1072721865.db2.gz YOLOIVMMANHXKN-FYJGNVAPSA-N 0 1 555.483 6.365 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)c(Cl)c4)c(Br)c3)C(=O)NC2=S)cc1 ZINC000409389409 1072733380 /nfs/dbraw/zinc/73/33/80/1072733380.db2.gz YQQCVNYKXZTEGW-YBFXNURJSA-N 0 1 590.326 6.729 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OCc4ccc(F)cc4)cc3Br)C(=O)NC2=S)cc1 ZINC000409388245 1072739542 /nfs/dbraw/zinc/73/95/42/1072739542.db2.gz VDAKEPCRBLVBDR-CIAFOILYSA-N 0 1 569.452 5.570 40 10 KKCBMN CCc1ccccc1N1C(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3Br)cc2)C(=O)NC1=S ZINC000409184241 1072778634 /nfs/dbraw/zinc/77/86/34/1072778634.db2.gz JMYULLUMBOZFTL-FYJGNVAPSA-N 0 1 600.332 6.184 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409409690 1072809266 /nfs/dbraw/zinc/80/92/66/1072809266.db2.gz WLJVIEWFZWNGOF-GRSHGNNSSA-N 0 1 609.247 6.037 40 10 KKCBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409408426 1072815411 /nfs/dbraw/zinc/81/54/11/1072815411.db2.gz QNABACOITBIJSZ-WQRHYEAKSA-N 0 1 513.775 5.152 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409408154 1072817077 /nfs/dbraw/zinc/81/70/77/1072817077.db2.gz PSEYAZSRYQXVAH-UNOMPAQXSA-N 0 1 527.802 5.542 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Br)cc(Br)c3OCc3ccccc3F)C2=O)cc1OCC ZINC000409193312 1072824619 /nfs/dbraw/zinc/82/46/19/1072824619.db2.gz JBCBKGDIZIHCDW-HYARGMPZSA-N 0 1 690.360 6.779 40 10 KKCBMN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4nc(-c5ccc(Cl)cc5Cl)n[nH]4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000409193735 1072848214 /nfs/dbraw/zinc/84/82/14/1072848214.db2.gz LDTFTOUKTVRDIC-JBDHCHCMSA-N 0 1 736.663 6.016 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC)c(OCC)c3)C2=O)cc1OCC ZINC000409192606 1072855804 /nfs/dbraw/zinc/85/58/04/1072855804.db2.gz CUUDJJXRINBACH-XDHOZWIPSA-N 0 1 575.456 5.096 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4ccccc4Cl)c(OCC)c3)C2=O)cc1OCC ZINC000409191327 1072862542 /nfs/dbraw/zinc/86/25/42/1072862542.db2.gz VQGUCRBYXNGFQD-OEAKJJBVSA-N 0 1 718.972 6.772 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OS(=O)(=O)c4ccc(C)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409191111 1072865067 /nfs/dbraw/zinc/86/50/67/1072865067.db2.gz SKZCZBNKXVMZOG-BUVRLJJBSA-N 0 1 657.141 5.664 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)cc(Br)c3OCC)C2=O)cc1OCC ZINC000409190539 1072869200 /nfs/dbraw/zinc/86/92/00/1072869200.db2.gz ZCLMKITZPFBNGM-LDADJPATSA-N 0 1 610.299 5.460 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(OCC)c3)C2=O)cc1OCC ZINC000409190216 1072871705 /nfs/dbraw/zinc/87/17/05/1072871705.db2.gz PXSVYBSNHFXJGA-ZVHZXABRSA-N 0 1 627.521 6.821 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccccc4F)c(Br)c3)C2=O)cc1OCC ZINC000409189849 1072874375 /nfs/dbraw/zinc/87/43/75/1072874375.db2.gz UFKSIMYQTXYDJV-CIAFOILYSA-N 0 1 690.360 6.779 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc1OCC ZINC000409189402 1072877251 /nfs/dbraw/zinc/87/72/51/1072877251.db2.gz KQSJLMNHBPYDJT-YZSQISJMSA-N 0 1 528.605 5.424 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4ccc(F)cc4)c(OC)c3)C2=O)cc1OCC ZINC000409189131 1072879626 /nfs/dbraw/zinc/87/96/26/1072879626.db2.gz DCXUYQCMQJKXIU-YDZHTSKRSA-N 0 1 688.490 5.867 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(F)c4)c(Cl)c3)C2=O)cc1OCC ZINC000409188181 1072883612 /nfs/dbraw/zinc/88/36/12/1072883612.db2.gz BOIPNAVJCSVKIB-OEAKJJBVSA-N 0 1 567.013 5.908 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4cccc5ccccc54)c(OC)c3)C2=O)cc1OCC ZINC000409188062 1072884687 /nfs/dbraw/zinc/88/46/87/1072884687.db2.gz FOUODUBNGCLAPM-JVWAILMASA-N 0 1 673.560 7.039 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000409228920 1073024396 /nfs/dbraw/zinc/02/43/96/1073024396.db2.gz HFCCHXIPPNWBCU-OEAKJJBVSA-N 0 1 536.495 6.120 40 10 KKCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000409228413 1073026553 /nfs/dbraw/zinc/02/65/53/1073026553.db2.gz YQECLRCSQURDGS-MHWRWJLKSA-N 0 1 521.860 5.358 40 10 KKCBMN CC[C@H](C)Oc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1OC ZINC000409228443 1073027139 /nfs/dbraw/zinc/02/71/39/1073027139.db2.gz YWGCPGYDRDPCFB-IGVUGNCQSA-N 0 1 523.836 5.120 40 10 KKCBMN CC(C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1Br ZINC000409236285 1073040420 /nfs/dbraw/zinc/04/04/20/1073040420.db2.gz GBWUWIMLOCIXOK-OVCLIPMQSA-N 0 1 513.335 5.086 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000409235595 1073043299 /nfs/dbraw/zinc/04/32/99/1073043299.db2.gz CKWNANLRRSCXFR-JFLMPSFJSA-N 0 1 593.602 6.662 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)Nc4ccc(Cl)cc4)c4ccccc34)C(=O)NC2=S)cc1Cl ZINC000409235139 1073045696 /nfs/dbraw/zinc/04/56/96/1073045696.db2.gz NXFHWUDHMJDOGW-WSDLNYQXSA-N 0 1 563.466 5.727 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(Br)cc1F ZINC000409234850 1073047015 /nfs/dbraw/zinc/04/70/15/1073047015.db2.gz NHMHQQAYDLYJPM-WOJGMQOQSA-N 0 1 512.404 5.135 40 10 KKCBMN CC(C)c1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4)c4ccccc34)C(=O)NC2=S)cc1 ZINC000409234560 1073048707 /nfs/dbraw/zinc/04/87/07/1073048707.db2.gz LOWHTTJNDATZSZ-MFKUBSTISA-N 0 1 514.050 6.298 40 10 KKCBMN Cc1ccc(-c2ccc(/C=C3/C(=O)NC(=S)N(c4ccc(C)c(Cl)c4)C3=O)o2)c(Br)c1 ZINC000409233499 1073055728 /nfs/dbraw/zinc/05/57/28/1073055728.db2.gz SOPLOZSOOHWONE-BOPFTXTBSA-N 0 1 515.816 5.811 40 10 KKCBMN CCCCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2C)cc1 ZINC000409233038 1073057958 /nfs/dbraw/zinc/05/79/58/1073057958.db2.gz UGKHCKMBTNNXDU-BUVRLJJBSA-N 0 1 525.596 6.287 40 10 KKCBMN CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)NC(=S)N(c4cc(C)ccc4C)C3=O)c1C)CCCC2 ZINC000409232466 1073061194 /nfs/dbraw/zinc/06/11/94/1073061194.db2.gz IEFZMMDKJMISMD-PXLXIMEGSA-N 0 1 561.729 5.659 40 10 KKCBMN Cc1ccccc1N1C(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)C(=O)NC1=S ZINC000409232288 1073062217 /nfs/dbraw/zinc/06/22/17/1073062217.db2.gz PWNKAACXDJFQLI-HFTWOUSFSA-N 0 1 539.660 6.951 40 10 KKCBMN CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c1C)CCCC2 ZINC000409231482 1073064696 /nfs/dbraw/zinc/06/46/96/1073064696.db2.gz KRTZMGAEYUSILV-FYJGNVAPSA-N 0 1 601.672 6.061 40 10 KKCBMN Cc1ccc(NC(=O)Cn2cc(/C=C3\C(=O)NC(=S)N(c4cc(C)ccc4C)C3=O)c3ccccc32)cc1 ZINC000409246862 1073073201 /nfs/dbraw/zinc/07/32/01/1073073201.db2.gz FNAFOHWNRWXPHC-BUVRLJJBSA-N 0 1 522.630 5.037 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409246877 1073073373 /nfs/dbraw/zinc/07/33/73/1073073373.db2.gz KLWNZDFHXRGAMJ-LFVJCYFKSA-N 0 1 589.098 6.638 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1C ZINC000409246151 1073078737 /nfs/dbraw/zinc/07/87/37/1073078737.db2.gz FTKAXRUBNUTBQN-RGVLZGJSSA-N 0 1 508.987 5.104 40 10 KKCBMN Cc1cccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(Cl)c4)C3=O)c3ccccc32)c1 ZINC000409245858 1073081071 /nfs/dbraw/zinc/08/10/71/1073081071.db2.gz ZYLPGWOVUIEWOW-YDZHTSKRSA-N 0 1 500.023 5.791 40 10 KKCBMN Cc1cc(Br)ccc1N1C(=O)/C(=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)C(=O)NC1=S ZINC000409244048 1073089984 /nfs/dbraw/zinc/08/99/84/1073089984.db2.gz WUGDJLRMUSYABJ-HMAPJEAMSA-N 0 1 548.437 5.731 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc(I)c1OC(C)C ZINC000409243203 1073093613 /nfs/dbraw/zinc/09/36/13/1073093613.db2.gz QHNJDCAZRHIIQR-YBFXNURJSA-N 0 1 578.472 5.432 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000409242224 1073098161 /nfs/dbraw/zinc/09/81/61/1073098161.db2.gz VUDKZXCFOVZLOP-JFLMPSFJSA-N 0 1 654.508 7.286 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000409241418 1073101245 /nfs/dbraw/zinc/10/12/45/1073101245.db2.gz XLUILCRIFLJXAF-PDGQHHTCSA-N 0 1 561.832 5.183 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(Br)c1OC(C)C ZINC000409241085 1073104713 /nfs/dbraw/zinc/10/47/13/1073104713.db2.gz XAHKIGKZPMBPTH-VIZOYTHASA-N 0 1 543.361 5.095 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1cc(Cl)ccc1Cl ZINC000409240018 1073110813 /nfs/dbraw/zinc/11/08/13/1073110813.db2.gz NWVZEYUZBXECIT-CIAFOILYSA-N 0 1 512.462 6.356 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000409238537 1073119315 /nfs/dbraw/zinc/11/93/15/1073119315.db2.gz KZGFMJFWIKRJSA-LDADJPATSA-N 0 1 540.859 6.481 40 10 KKCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cccn1-c1cccc(Br)c1 ZINC000409238020 1073124011 /nfs/dbraw/zinc/12/40/11/1073124011.db2.gz JXQGBVIUGUUDSS-LDADJPATSA-N 0 1 520.330 5.090 40 10 KKCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000409237821 1073124414 /nfs/dbraw/zinc/12/44/14/1073124414.db2.gz JVKLEKJGKPEMBC-MHWRWJLKSA-N 0 1 521.860 5.358 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1cccc(I)c1 ZINC000409249830 1073140173 /nfs/dbraw/zinc/14/01/73/1073140173.db2.gz PAQJUUCXMOIDKR-WOJGMQOQSA-N 0 1 561.832 5.183 40 10 KKCBMN O=C(COc1c(Br)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Br)Nc1ccc(Cl)cc1 ZINC000409267108 1073196133 /nfs/dbraw/zinc/19/61/33/1073196133.db2.gz SRNNNUXHINMQPT-ZDLGFXPLSA-N 0 1 649.748 5.714 40 10 KKCBMN COc1ccc(N2C(=O)C(=Cc3ccc4c(c3)CCN4Cc3ccccc3Cl)C(=O)NC2=S)cc1 ZINC000033332453 1073207531 /nfs/dbraw/zinc/20/75/31/1073207531.db2.gz ZHYZRPXHMPDQDZ-JCMHNJIXSA-N 0 1 504.011 5.583 40 10 KKCBMN Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000033379267 1073207958 /nfs/dbraw/zinc/20/79/58/1073207958.db2.gz WBBUNSPTKLUWPN-RGVLZGJSSA-N 0 1 503.933 6.438 40 10 KKCBMN Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2Br)cc1C ZINC000409261622 1073226153 /nfs/dbraw/zinc/22/61/53/1073226153.db2.gz CAUKFNHFRDHNLQ-JAIQZWGSSA-N 0 1 643.357 5.677 40 10 KKCBMN O=C(COc1c(Br)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Br)Nc1ccccc1 ZINC000409261010 1073229551 /nfs/dbraw/zinc/22/95/51/1073229551.db2.gz ZTBDHWNLWPAAIQ-WQRHYEAKSA-N 0 1 615.303 5.060 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409261014 1073229588 /nfs/dbraw/zinc/22/95/88/1073229588.db2.gz ZWKGHUUMMSOBBX-XKZIYDEJSA-N 0 1 608.514 5.313 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409258895 1073243363 /nfs/dbraw/zinc/24/33/63/1073243363.db2.gz WAGADHBAKYHRLH-GRSHGNNSSA-N 0 1 661.905 5.110 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409268267 1073284361 /nfs/dbraw/zinc/28/43/61/1073284361.db2.gz RTHWTECAAQMJKN-JAIQZWGSSA-N 0 1 584.481 5.549 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(Br)c1 ZINC000408851023 195489552 /nfs/dbraw/zinc/48/95/52/195489552.db2.gz UPHNSZKDTZXRAP-MKMNVTDBSA-N 0 1 685.177 6.657 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000409231536 195507486 /nfs/dbraw/zinc/50/74/86/195507486.db2.gz JREDJRQRWYOVGP-CEUNXORHSA-N 0 1 519.670 6.716 40 10 KKCBMN O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1ccc([N+](=O)[O-])cc1O ZINC000008820155 553155108 /nfs/dbraw/zinc/15/51/08/553155108.db2.gz JESPJVWWUFEYIO-UNOMPAQXSA-N 0 1 506.005 5.354 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N([C@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCc1ccccc1 ZINC000016689194 553573462 /nfs/dbraw/zinc/57/34/62/553573462.db2.gz UOCFHBKRZPTRPW-MRUIKISQSA-N 0 1 528.649 5.731 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000083293514 553676437 /nfs/dbraw/zinc/67/64/37/553676437.db2.gz MNXWQUWMKAFUGD-NDENLUEZSA-N 0 1 511.347 5.027 40 10 KKCBMN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C)[C@H](N[C@@H](C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000097999469 554043212 /nfs/dbraw/zinc/04/32/12/554043212.db2.gz GYWXPURVSNZRDM-WOEXDYTESA-N 0 1 610.864 10.250 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000100227755 554253919 /nfs/dbraw/zinc/25/39/19/554253919.db2.gz RIOPDWPKURCUKH-NDENLUEZSA-N 0 1 618.880 5.754 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000100311365 554301024 /nfs/dbraw/zinc/30/10/24/554301024.db2.gz AQIMBMWHIAMUHD-VXLYETTFSA-N 0 1 592.298 6.175 40 10 KKCBMN COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc([N+](=O)[O-])cc2)N3)c1 ZINC000058849447 554369017 /nfs/dbraw/zinc/36/90/17/554369017.db2.gz DWILTGABXIBUIL-LZCXECNNSA-N 0 1 507.568 5.239 40 10 KKCBMN COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C(C)(C)C)cc2)N3)c1 ZINC000058849458 554369122 /nfs/dbraw/zinc/36/91/22/554369122.db2.gz QDJJMEOOOBYRCE-CTVOUCONSA-N 0 1 518.679 6.629 40 10 KKCBMN CCOc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000059136292 554382303 /nfs/dbraw/zinc/38/23/03/554382303.db2.gz AXSPUNSKSMXPBP-LDADJPATSA-N 0 1 510.974 6.128 40 10 KKCBMN COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000059136115 554382384 /nfs/dbraw/zinc/38/23/84/554382384.db2.gz PWXLOIDFXOIJED-WOJGMQOQSA-N 0 1 510.974 6.047 40 10 KKCBMN Cc1ccc(/N=N/c2cc(C)ccc2NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000102938594 555167229 /nfs/dbraw/zinc/16/72/29/555167229.db2.gz ORASYSSTOPWEKT-NVQSTNCTSA-N 0 1 563.477 7.534 40 10 KKCBMN CCCCCc1ccc(C(=O)[C@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccc(OC)cc4C=C[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103060541 555241803 /nfs/dbraw/zinc/24/18/03/555241803.db2.gz QDRHTFDQEJVLLQ-ASFOCJHKSA-N 0 1 576.737 7.016 40 10 KKCBMN COc1ccc2c(c1)C=C[C@H]1N2[C@@H](C(=O)C(C)(C)C)C(=C(O)c2ccc(Cl)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000103524483 555427916 /nfs/dbraw/zinc/42/79/16/555427916.db2.gz OSFLPLNXNKVLGX-ZQPSKXNCSA-N 0 1 541.047 5.937 40 10 KKCBMN COc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c2ccc(CC(C)C)cc2)[C@]12c1ccccc1NC2=O ZINC000103541276 555438352 /nfs/dbraw/zinc/43/83/52/555438352.db2.gz CGJABXVVKWJQAL-KYXFPJSOSA-N 0 1 562.710 6.482 40 10 KKCBMN Cc1ccc(N2C(=O)C(=Cc3cc(Br)cc(Br)c3O)C(=O)N(c3ccc(C)cc3)C2=S)cc1 ZINC000103760439 555471032 /nfs/dbraw/zinc/47/10/32/555471032.db2.gz ZIYUPWVDSCANEQ-UHFFFAOYSA-N 0 1 586.305 6.282 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)C(=O)NC2=S)c(OC)c1 ZINC000103780913 555476237 /nfs/dbraw/zinc/47/62/37/555476237.db2.gz OWRVHRGMDXVKDS-UDWIEESQSA-N 0 1 566.466 5.845 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C/c3cn(Cc4cccc5ccccc54)c4ccccc34)C(=O)NC2=S)c(OC)c1 ZINC000103781146 555476257 /nfs/dbraw/zinc/47/62/57/555476257.db2.gz YDYIXEXCQIQSNE-WGOQTCKBSA-N 0 1 547.636 5.691 40 10 KKCBMN Cc1ccc(COc2c(Br)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)cc2Br)cc1 ZINC000103851598 571365009 /nfs/dbraw/zinc/36/50/09/571365009.db2.gz OKQXKBIMWARUCZ-LICLKQGHSA-N 0 1 604.295 6.069 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 ZINC000103851817 571365135 /nfs/dbraw/zinc/36/51/35/571365135.db2.gz FZWVBOHJKASXRC-CXUHLZMHSA-N 0 1 519.356 5.682 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000103851691 571365166 /nfs/dbraw/zinc/36/51/66/571365166.db2.gz BFJKIJGHVMJYJT-CXUHLZMHSA-N 0 1 590.814 5.560 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(Br)cc1OCc1cccc(F)c1 ZINC000103852199 571365287 /nfs/dbraw/zinc/36/52/87/571365287.db2.gz DYOLINMYPVOWTH-LICLKQGHSA-N 0 1 559.388 5.146 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000103852303 571365399 /nfs/dbraw/zinc/36/53/99/571365399.db2.gz QXUMXDSPMUCKPJ-JFLMPSFJSA-N 0 1 553.703 6.532 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000103852575 571365506 /nfs/dbraw/zinc/36/55/06/571365506.db2.gz NGOXDIVBPKTWNT-HYARGMPZSA-N 0 1 561.034 6.441 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(Br)cc1OCc1ccc(F)cc1 ZINC000103852768 571365606 /nfs/dbraw/zinc/36/56/06/571365606.db2.gz ZMTPGFZHLYFZQM-WOJGMQOQSA-N 0 1 573.415 5.536 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000103852786 571365642 /nfs/dbraw/zinc/36/56/42/571365642.db2.gz WTGPCAFMSPXNSI-WOJGMQOQSA-N 0 1 600.422 5.305 40 10 KKCBMN Cc1cccc(COc2ccc(Br)cc2/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c1 ZINC000103853297 571365784 /nfs/dbraw/zinc/36/57/84/571365784.db2.gz ZQZAVNIAIJKWQX-CPNJWEJPSA-N 0 1 525.399 5.307 40 10 KKCBMN COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000103920143 571369768 /nfs/dbraw/zinc/36/97/68/571369768.db2.gz KHDDSXOJCZWBSY-ONUIUJJFSA-N 0 1 553.669 6.533 40 10 KKCBMN COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 ZINC000103922628 571369842 /nfs/dbraw/zinc/36/98/42/571369842.db2.gz GQWWGWWXNIETFQ-OFWBYEQRSA-N 0 1 560.679 7.426 40 10 KKCBMN COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2Cl)N3)c1 ZINC000104649549 571383045 /nfs/dbraw/zinc/38/30/45/571383045.db2.gz LARJWGYKHKLVRU-ANSQWYIGSA-N 0 1 531.461 6.638 40 10 KKCBMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000104649776 571383160 /nfs/dbraw/zinc/38/31/60/571383160.db2.gz AAPJOEKZDMWUET-WZOHSFFVSA-N 0 1 545.886 6.738 40 10 KKCBMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC)c1OC)N2 ZINC000104649814 571383178 /nfs/dbraw/zinc/38/31/78/571383178.db2.gz NIFCEIBDKNPZSO-ANSQWYIGSA-N 0 1 527.042 5.993 40 10 KKCBMN O=c1/c(=C/c2ccc(/N=N/c3ccccc3)cc2O)sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000104656452 571383998 /nfs/dbraw/zinc/38/39/98/571383998.db2.gz KJHHKRKGKKCAEM-OFQAYLOPSA-N 0 1 619.544 7.202 40 10 KKCBMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(CCOc2ccccc2Cl)c2ccc(Br)cc12 ZINC000104881950 571386985 /nfs/dbraw/zinc/38/69/85/571386985.db2.gz HEJLCUOHJIBDAP-UDWIEESQSA-N 0 1 568.811 5.391 40 10 KKCBMN Cc1ccc(OCCn2cc(/C=C3\C(=O)NC(=O)N(Cc4ccccc4)C3=O)c3cc(Br)ccc32)cc1C ZINC000104881893 571387037 /nfs/dbraw/zinc/38/70/37/571387037.db2.gz IWDVWULFESVHNU-CVKSISIWSA-N 0 1 572.459 5.762 40 10 KKCBMN O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(CCOc2ccccc2F)c2ccc(Br)cc12 ZINC000104881879 571387052 /nfs/dbraw/zinc/38/70/52/571387052.db2.gz RIRVMNVLXYPION-HYARGMPZSA-N 0 1 562.395 5.284 40 10 KKCBMN Cc1ccc(OCCn2cc(/C=C3\C(=O)NC(=O)N(C4CCCCC4)C3=O)c3cc(Br)ccc32)cc1 ZINC000104882094 571387055 /nfs/dbraw/zinc/38/70/55/571387055.db2.gz SWIINMKAVZAVTR-BUVRLJJBSA-N 0 1 550.453 5.586 40 10 KKCBMN CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Br)c4)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223537252 571497377 /nfs/dbraw/zinc/49/73/77/571497377.db2.gz UXTPVWHRYMOYKG-SLDJAQPHSA-N 0 1 512.473 5.393 40 10 KKCBMN Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3ccc(Br)cc3)C1=O)[C@@H](C)CC(C)(C)N2C(C)C ZINC000223600349 571510938 /nfs/dbraw/zinc/51/09/38/571510938.db2.gz CFWNSNUZYZJRIS-KOWBDXASSA-N 0 1 540.527 6.089 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000150481490 571512655 /nfs/dbraw/zinc/51/26/55/571512655.db2.gz BOWUIXAQYNGNOJ-QGMBQPNBSA-N 0 1 718.194 6.779 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1 ZINC000164397555 571546943 /nfs/dbraw/zinc/54/69/43/571546943.db2.gz HJNQDIGCDLBUOX-CXUHLZMHSA-N 0 1 718.713 6.099 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1 ZINC000164397442 571546964 /nfs/dbraw/zinc/54/69/64/571546964.db2.gz ZIXZGSVXSOSJOO-OQLLNIDSSA-N 0 1 718.713 6.099 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000164388625 571547028 /nfs/dbraw/zinc/54/70/28/571547028.db2.gz KWUSGMQHWLKJEP-YVLHZVERSA-N 0 1 622.843 5.503 40 10 KKCBMN Cc1cccc(COc2c(Br)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)cc2I)c1 ZINC000164394901 571547042 /nfs/dbraw/zinc/54/70/42/571547042.db2.gz QCJAXRXCASGYSK-LICLKQGHSA-N 0 1 651.295 5.912 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1 ZINC000164397679 571547210 /nfs/dbraw/zinc/54/72/10/571547210.db2.gz YVWJRRICTDAECA-VIZOYTHASA-N 0 1 753.158 6.752 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1 ZINC000164398862 571547266 /nfs/dbraw/zinc/54/72/66/571547266.db2.gz ZGXHQQRDBNTZQT-CXUHLZMHSA-N 0 1 729.265 5.353 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccc(I)cc1 ZINC000164406317 571547436 /nfs/dbraw/zinc/54/74/36/571547436.db2.gz XHLQPBBCHIGVKM-WOJGMQOQSA-N 0 1 728.321 5.844 40 10 KKCBMN Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3cccc(Br)c3)C1=O)[C@H](C)CC(C)(C)N2C ZINC000208234331 571573503 /nfs/dbraw/zinc/57/35/03/571573503.db2.gz NUKLBWNCRWOKRO-PZUDMAOCSA-N 0 1 512.473 5.311 40 10 KKCBMN C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=S)N(c4cccc(Br)c4)C3=O)cc21 ZINC000208237890 571573702 /nfs/dbraw/zinc/57/37/02/571573702.db2.gz CZALZEAKQRUFSP-VVSAQIQQSA-N 0 1 532.891 5.656 40 10 KKCBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000208707443 571575095 /nfs/dbraw/zinc/57/50/95/571575095.db2.gz XMVFYCVUYBVRQP-NVMNQCDNSA-N 0 1 548.220 5.805 40 10 KKCBMN O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1Cl ZINC000225804306 572072046 /nfs/dbraw/zinc/07/20/46/572072046.db2.gz PNUSUYMBBTVAHD-UHFFFAOYSA-N 0 1 569.491 6.450 40 10 KKCBMN Cc1nn(Cc2ccccc2Cl)c(C)c1N=Cc1c(C)[nH]n(-c2ccc(Br)c(C)c2)c1=O ZINC000408534926 572187594 /nfs/dbraw/zinc/18/75/94/572187594.db2.gz RTDNWIDKNWSHEO-NDENLUEZSA-N 0 1 512.839 5.991 40 10 KKCBMN COc1cc(COc2c(Br)cc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408538601 572199158 /nfs/dbraw/zinc/19/91/58/572199158.db2.gz AHCQFOJGTCEKIZ-MYYYXRDXSA-N 0 1 659.558 6.456 40 10 KKCBMN COC(=O)c1cccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4ccc(Br)cc4C)C3=O)c3ccccc32)c1 ZINC000408541646 572209397 /nfs/dbraw/zinc/20/93/97/572209397.db2.gz HBQQDNQUPAZHGD-OEAKJJBVSA-N 0 1 588.483 5.378 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408543223 572212162 /nfs/dbraw/zinc/21/21/62/572212162.db2.gz NTUOTYBFGBXYHS-NLRVBDNBSA-N 0 1 583.710 5.348 40 10 KKCBMN O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)C1=CNc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408550371 572233841 /nfs/dbraw/zinc/23/38/41/572233841.db2.gz GPZJBTXQTYJNKP-STZFKDTASA-N 0 1 510.034 5.691 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408551522 572236388 /nfs/dbraw/zinc/23/63/88/572236388.db2.gz DLJYEDKFJJRITD-MFOYZWKCSA-N 0 1 635.323 5.613 40 10 KKCBMN COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408588772 572266987 /nfs/dbraw/zinc/26/69/87/572266987.db2.gz YOAMPDCSTNMRRX-UHFFFAOYSA-N 0 1 555.439 6.286 40 10 KKCBMN O=C1/C(=C/c2cc(I)c(O)c(I)c2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000409329637 1072383416 /nfs/dbraw/zinc/38/34/16/1072383416.db2.gz GOTYMQMHGCSUQZ-ACAGNQJTSA-N 0 1 634.085 6.314 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408770744 1069870159 /nfs/dbraw/zinc/87/01/59/1069870159.db2.gz BTMPOSODUGSSAK-FYJGNVAPSA-N 0 1 584.435 5.019 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000408768953 1069874966 /nfs/dbraw/zinc/87/49/66/1069874966.db2.gz MWHRTQLZTCCQFS-FYJGNVAPSA-N 0 1 569.468 5.455 40 10 KKCBMN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(/N=N/c5ccccc5)cc4O)c(=O)n32)c1 ZINC000408770532 1069879701 /nfs/dbraw/zinc/87/97/01/1069879701.db2.gz YOXUQSXQXOGTMW-ZOIQZCJZSA-N 0 1 601.688 6.004 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408772675 1069884770 /nfs/dbraw/zinc/88/47/70/1069884770.db2.gz QIEBUISUUZVGRY-DEDYPNTBSA-N 0 1 584.435 5.019 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000408782451 1069906978 /nfs/dbraw/zinc/90/69/78/1069906978.db2.gz IQMMVSHFIAZUFP-FYJGNVAPSA-N 0 1 508.441 5.305 40 10 KKCBMN CCOc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4sc5c(c4C(=O)Nc4ccccc4)CCCC5)c3C)C(=O)NC2=S)c1 ZINC000408812347 1069967498 /nfs/dbraw/zinc/96/74/98/1069967498.db2.gz ONVARBCABOPNSF-OVVQPSECSA-N 0 1 624.788 6.517 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccccc1OCc1ccccc1F ZINC000408845564 1070052200 /nfs/dbraw/zinc/05/22/00/1070052200.db2.gz GOEMKTBZQGFPOU-FOWTUZBSSA-N 0 1 501.366 5.543 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000408846524 1070053851 /nfs/dbraw/zinc/05/38/51/1070053851.db2.gz NVKPCBIVLXMNNY-AWNIVKPZSA-N 0 1 621.156 8.017 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1 ZINC000408852716 1070059647 /nfs/dbraw/zinc/05/96/47/1070059647.db2.gz MSHVPUAIUIGESJ-YBFXNURJSA-N 0 1 602.326 7.864 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000408848703 1070061528 /nfs/dbraw/zinc/06/15/28/1070061528.db2.gz SLIVCFKWZLOXJU-XDHOZWIPSA-N 0 1 524.404 5.967 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000408843423 1070057573 /nfs/dbraw/zinc/05/75/73/1070057573.db2.gz FKWUKYQUKJIQMI-OVCLIPMQSA-N 0 1 686.165 6.837 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(Br)cc1OCc1cccc(F)c1 ZINC000408854008 1070072081 /nfs/dbraw/zinc/07/20/81/1070072081.db2.gz VKULGEPMTHRNPW-LICLKQGHSA-N 0 1 624.315 6.704 40 10 KKCBMN Cc1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)o2)cc1[N+](=O)[O-] ZINC000408855172 1070073950 /nfs/dbraw/zinc/07/39/50/1070073950.db2.gz CXQUEAQOMJFMTO-GXDHUFHOSA-N 0 1 502.335 5.301 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(I)c1OCC ZINC000408855909 1070075009 /nfs/dbraw/zinc/07/50/09/1070075009.db2.gz HBZQOGQMGFQKIH-XYOKQWHBSA-N 0 1 591.254 5.227 40 10 KKCBMN Cc1cc(C)cc(Cc2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2Br)c1 ZINC000408871251 1070095469 /nfs/dbraw/zinc/09/54/69/1070095469.db2.gz YZDWGZYRAVXRPT-HMAPJEAMSA-N 0 1 505.437 5.488 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408877077 1070111256 /nfs/dbraw/zinc/11/12/56/1070111256.db2.gz PLCKLVSMJZNDPS-PDGQHHTCSA-N 0 1 562.272 6.166 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408900164 1070161626 /nfs/dbraw/zinc/16/16/26/1070161626.db2.gz TVBWMUZYFFZXIO-UNOMPAQXSA-N 0 1 527.429 5.802 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1cccc2ccccc21 ZINC000408916307 1070219623 /nfs/dbraw/zinc/21/96/23/1070219623.db2.gz BOPFCXAQZWFLHF-OYKKKHCWSA-N 0 1 605.485 6.550 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000408966656 1070326270 /nfs/dbraw/zinc/32/62/70/1070326270.db2.gz NIHGUQZYBXNQQD-LZYBPNLTSA-N 0 1 506.361 5.510 40 10 KKCBMN Cc1cccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)[C@@H]7CCCC[C@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)c1 ZINC000408990964 1070357099 /nfs/dbraw/zinc/35/70/99/1070357099.db2.gz MDEPSCYTHCRDSW-UZBYXMDDSA-N 0 1 683.793 6.175 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OCc4ccc(Cl)c(Cl)c4)c(Br)c3Br)C(=O)NC2=S)cc1 ZINC000408994053 1070369940 /nfs/dbraw/zinc/36/99/40/1070369940.db2.gz FKCSVGQECHZSLR-WOJGMQOQSA-N 0 1 699.248 7.500 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000409009124 1070386579 /nfs/dbraw/zinc/38/65/79/1070386579.db2.gz WOLMRFMSGMSFAI-STBIYBPSSA-N 0 1 553.659 6.260 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc5ccccc5c4)c4ccccc34)C(=O)NC2=S)cc1 ZINC000409011326 1070389002 /nfs/dbraw/zinc/38/90/02/1070389002.db2.gz GCBLGHBRNXFACJ-WPWMEQJKSA-N 0 1 517.610 5.683 40 10 KKCBMN CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(OC)cc4)C3=O)c1C)CCCC2 ZINC000409018756 1070397052 /nfs/dbraw/zinc/39/70/52/1070397052.db2.gz ZAEFONREVICRFX-PXLXIMEGSA-N 0 1 563.701 5.051 40 10 KKCBMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000409072472 1070498391 /nfs/dbraw/zinc/49/83/91/1070498391.db2.gz NPZVNDXHDYFIED-DEDYPNTBSA-N 0 1 529.868 6.085 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409131279 1070550156 /nfs/dbraw/zinc/55/01/56/1070550156.db2.gz MZNTUPQZTUBONQ-OGLMXYFKSA-N 0 1 570.114 6.775 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1OC ZINC000409133345 1070558281 /nfs/dbraw/zinc/55/82/81/1070558281.db2.gz SMPWAJLLPLKRAN-WSDLNYQXSA-N 0 1 690.918 5.992 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409189156 1070603980 /nfs/dbraw/zinc/60/39/80/1070603980.db2.gz DLIGCFQCQCHIRE-ZVHZXABRSA-N 0 1 682.524 6.185 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1cc(Cl)ccc1C ZINC000409237045 1070653226 /nfs/dbraw/zinc/65/32/26/1070653226.db2.gz VGPINAHKUZZFNE-KEBDBYFISA-N 0 1 517.960 5.906 40 10 KKCBMN Cc1ccccc1N1C(=O)/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C(=O)NC1=S ZINC000409241844 1070669148 /nfs/dbraw/zinc/66/91/48/1070669148.db2.gz YYXHLXKPCVPISM-DEDYPNTBSA-N 0 1 520.441 6.136 40 10 KKCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000409255347 1070674044 /nfs/dbraw/zinc/67/40/44/1070674044.db2.gz YVQNWGPDATZCAO-LDADJPATSA-N 0 1 509.431 5.346 40 10 KKCBMN Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1C ZINC000409264803 1070688108 /nfs/dbraw/zinc/68/81/08/1070688108.db2.gz QNHVYWHVAQBNDP-MTJSOVHGSA-N 0 1 643.357 5.677 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1Cc1ccccc1Br ZINC000408880395 1070788067 /nfs/dbraw/zinc/78/80/67/1070788067.db2.gz ISPUWTNHTYEHFL-ZHZULCJRSA-N 0 1 511.828 5.525 40 10 KKCBMN O=C(NN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)SC1=S)c1cccs1 ZINC000409332331 1070837004 /nfs/dbraw/zinc/83/70/04/1070837004.db2.gz QTCYQSDGDFKXEB-YBFXNURJSA-N 0 1 565.923 6.289 40 10 KKCBMN O=C(NN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)SC1=S)c1cccs1 ZINC000409334918 1070854262 /nfs/dbraw/zinc/85/42/62/1070854262.db2.gz YELQVPGEWZFIND-YBFXNURJSA-N 0 1 565.923 6.289 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(OCc5ccc(Cl)cc5Cl)cc4)c3C)C(=O)NC2=S)cc1 ZINC000409374889 1070898213 /nfs/dbraw/zinc/89/82/13/1070898213.db2.gz AZXLQDCDJLBLCW-LQKURTRISA-N 0 1 604.559 7.374 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000409383544 1070901170 /nfs/dbraw/zinc/90/11/70/1070901170.db2.gz WOYQFSLTSQWBOL-SRZZPIQSSA-N 0 1 634.379 7.127 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1ccccc1 ZINC000408916314 1071001517 /nfs/dbraw/zinc/00/15/17/1071001517.db2.gz BQXCDRTTZBWXCV-NDENLUEZSA-N 0 1 555.425 5.397 40 10 KKCBMN Cc1ccc(Sc2oc(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)cc2Br)cc1 ZINC000408911855 1071059489 /nfs/dbraw/zinc/05/94/89/1071059489.db2.gz OQXBCLSWMAFVPY-GZTJUZNOSA-N 0 1 513.438 5.641 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000408917450 1071146509 /nfs/dbraw/zinc/14/65/09/1071146509.db2.gz URCQXRMIEMHZOB-OYKKKHCWSA-N 0 1 605.485 6.550 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408692892 1071392649 /nfs/dbraw/zinc/39/26/49/1071392649.db2.gz XTHLWUNFWPZQFE-RWPZCVJISA-N 0 1 511.666 5.966 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408692836 1071393603 /nfs/dbraw/zinc/39/36/03/1071393603.db2.gz WLUVZWBVNVQZTO-UDWIEESQSA-N 0 1 527.415 5.140 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(I)c1OCc1ccc2ccccc2c1 ZINC000408692481 1071394873 /nfs/dbraw/zinc/39/48/73/1071394873.db2.gz NJNAGTGEBJKKFA-LPYMAVHISA-N 0 1 596.421 5.436 40 10 KKCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000408692403 1071395582 /nfs/dbraw/zinc/39/55/82/1071395582.db2.gz LRYNXDHSSLJIDW-OOAXWGSJSA-N 0 1 501.586 6.216 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408692272 1071396471 /nfs/dbraw/zinc/39/64/71/1071396471.db2.gz IWYKITBZURNYDN-VCHYOVAHSA-N 0 1 625.257 5.046 40 10 KKCBMN O=C1/C(=C\c2cc(Br)c(O)c(I)c2)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408970780 1071454036 /nfs/dbraw/zinc/45/40/36/1071454036.db2.gz KBOORZKETDRCRA-WDZFZDKYSA-N 0 1 537.073 5.108 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000408968080 1071464415 /nfs/dbraw/zinc/46/44/15/1071464415.db2.gz WHYJFLVXXQGBKH-ZDLGFXPLSA-N 0 1 532.822 5.480 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408722879 1071530873 /nfs/dbraw/zinc/53/08/73/1071530873.db2.gz NZFOSNSJYFYRGI-VXLYETTFSA-N 0 1 639.298 6.017 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000408722832 1071530939 /nfs/dbraw/zinc/53/09/39/1071530939.db2.gz NQXQCXPGDBXISA-GIJQJNRQSA-N 0 1 504.826 5.886 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(I)c(OCc2ccccc2)c(I)c1 ZINC000408723654 1071527749 /nfs/dbraw/zinc/52/77/49/1071527749.db2.gz YZYJCKLUPWGEEQ-GIJQJNRQSA-N 0 1 700.723 5.960 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408723407 1071528253 /nfs/dbraw/zinc/52/82/53/1071528253.db2.gz UCBUBYGEAHQMCO-VXLYETTFSA-N 0 1 606.325 6.565 40 10 KKCBMN COc1c(I)cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1I ZINC000408723421 1071528328 /nfs/dbraw/zinc/52/83/28/1071528328.db2.gz UHFRIKVNSWPXHB-ONNFQVAWSA-N 0 1 659.070 5.043 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1 ZINC000408723212 1071529874 /nfs/dbraw/zinc/52/98/74/1071529874.db2.gz RDHAQZOQYGHWQH-MTDXEUNCSA-N 0 1 638.974 8.059 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408723222 1071530392 /nfs/dbraw/zinc/53/03/92/1071530392.db2.gz RJJGWFLQWKBFIG-VCHYOVAHSA-N 0 1 639.298 6.017 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408722402 1071533363 /nfs/dbraw/zinc/53/33/63/1071533363.db2.gz IFFHXSGOJYUOOZ-YBFXNURJSA-N 0 1 653.325 6.407 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408722480 1071534003 /nfs/dbraw/zinc/53/40/03/1071534003.db2.gz JJQBKRRAPBAAPU-OVCLIPMQSA-N 0 1 589.369 5.442 40 10 KKCBMN O=C1/C(=C\c2cc(Br)cc(Br)c2O)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000408718874 1071548076 /nfs/dbraw/zinc/54/80/76/1071548076.db2.gz RKXJZJJIFUGNMM-WLRTZDKTSA-N 0 1 539.192 6.342 40 10 KKCBMN CCOc1ccc(N2C(=O)/C(=C/c3cc(Br)c(Sc4ccccc4)o3)C(=O)NC2=S)cc1 ZINC000408995153 1071553626 /nfs/dbraw/zinc/55/36/26/1071553626.db2.gz AEIXYBIGYIWFRR-LDADJPATSA-N 0 1 529.437 5.423 40 10 KKCBMN Cc1ccccc1N1C(=O)/C(=C/c2ccc(OCc3ccc(I)cc3)cc2)C(=O)NC1=S ZINC000408995028 1071555294 /nfs/dbraw/zinc/55/52/94/1071555294.db2.gz KVJFCHIQORDCHB-KGENOOAVSA-N 0 1 554.409 5.010 40 10 KKCBMN Cc1cccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)c7ccccc7C6=O)cc5s4)o3)C(=O)NC2=S)c1 ZINC000408991355 1071581711 /nfs/dbraw/zinc/58/17/11/1071581711.db2.gz NMHQBOFEWHWJED-PXLXIMEGSA-N 0 1 622.709 5.981 40 10 KKCBMN CCOc1cccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C(=O)NC2=S)c1 ZINC000408739636 1071602220 /nfs/dbraw/zinc/60/22/20/1071602220.db2.gz DMLBOVJVJMSXCE-JAIQZWGSSA-N 0 1 514.434 5.631 40 10 KKCBMN CCOc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4Cl)c(OCC)c3)C(=O)NC2=S)c1 ZINC000408739562 1071603329 /nfs/dbraw/zinc/60/33/29/1071603329.db2.gz CRDFKLDGGAVLSJ-WSDLNYQXSA-N 0 1 571.482 6.201 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 ZINC000408744210 1071616633 /nfs/dbraw/zinc/61/66/33/1071616633.db2.gz ZCKRHSUJQQUZGV-VEILYXNESA-N 0 1 649.526 7.313 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1cc(I)c(OCc2ccccc2)c(I)c1 ZINC000408743744 1071617287 /nfs/dbraw/zinc/61/72/87/1071617287.db2.gz XVCHFFCZNHCFPU-GIJQJNRQSA-N 0 1 745.174 6.069 40 10 KKCBMN CC[C@@H](C)c1ccc(N2C(=O)/C(=C/c3cc(Br)c(Sc4ccccc4)o3)C(=O)NC2=S)cc1 ZINC000408996499 1071618115 /nfs/dbraw/zinc/61/81/15/1071618115.db2.gz IGORMUMCQQDVGA-OOWUWCJESA-N 0 1 541.492 6.538 40 10 KKCBMN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)NC1=S ZINC000408743377 1071619073 /nfs/dbraw/zinc/61/90/73/1071619073.db2.gz WCXJYQDHCNWESM-RGVLZGJSSA-N 0 1 576.299 6.475 40 10 KKCBMN CCOc1cccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc(Br)cc4)c3-c3ccccc3)C(=O)NC2=S)c1 ZINC000408742472 1071621145 /nfs/dbraw/zinc/62/11/45/1071621145.db2.gz WRXHKCCGQVTQIJ-COEJQBHMSA-N 0 1 648.582 7.804 40 10 KKCBMN CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)NC(=S)N(c4cccc(Br)c4)C3=O)c2-c2ccccc2)cc1 ZINC000408744311 1071616061 /nfs/dbraw/zinc/61/60/61/1071616061.db2.gz ZLNOJSJBVMXCOC-COEJQBHMSA-N 0 1 676.592 7.582 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000408741058 1071626734 /nfs/dbraw/zinc/62/67/34/1071626734.db2.gz JUVJNQLVNKJVAK-HYARGMPZSA-N 0 1 537.483 5.062 40 10 KKCBMN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C(=O)NC1=S ZINC000408741729 1071624513 /nfs/dbraw/zinc/62/45/13/1071624513.db2.gz NMQAEEWOUCAUMJ-GZTJUZNOSA-N 0 1 501.789 5.502 40 10 KKCBMN CCOc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Br)cc4)c(OC)c3)C(=O)NC2=S)c1 ZINC000408741357 1071625041 /nfs/dbraw/zinc/62/50/41/1071625041.db2.gz LLUZOCUEUJWUNX-LPYMAVHISA-N 0 1 567.461 5.267 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408741276 1071626141 /nfs/dbraw/zinc/62/61/41/1071626141.db2.gz LEITYUPEMLURRM-CIAFOILYSA-N 0 1 572.278 5.622 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(-c2ccc(I)cc2)o1 ZINC000408740265 1071631386 /nfs/dbraw/zinc/63/13/86/1071631386.db2.gz FFHPEVMOARXTTQ-GZTJUZNOSA-N 0 1 579.213 5.145 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000408739982 1071632658 /nfs/dbraw/zinc/63/26/58/1071632658.db2.gz HGXWICOHYLDDAL-SGWCAAJKSA-N 0 1 525.633 6.643 40 10 KKCBMN Cc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(I)cc4)cc3)C(=O)NC2=S)c1 ZINC000409002985 1071638570 /nfs/dbraw/zinc/63/85/70/1071638570.db2.gz XRSNWIUPZQDJQE-HYARGMPZSA-N 0 1 554.409 5.010 40 10 KKCBMN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(OCc3ccc(I)cc3)cc2)C(=O)NC1=S ZINC000408999699 1071653702 /nfs/dbraw/zinc/65/37/02/1071653702.db2.gz XKIZKCLDNYSDIF-FYJGNVAPSA-N 0 1 633.305 5.772 40 10 KKCBMN CC[NH+](CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)c(C)c4)C3=O)c2C)cc1 ZINC000408753613 1071657391 /nfs/dbraw/zinc/65/73/91/1071657391.db2.gz NPOHPHHDTQVVOS-LFVJCYFKSA-N 0 1 549.469 5.678 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C\c3ccc(OC(=O)c4ccc(Cl)cc4Cl)cc3)C(=O)NC2=S)cc1 ZINC000408760775 1071695192 /nfs/dbraw/zinc/69/51/92/1071695192.db2.gz FVCXQHTYGPRXJF-NDENLUEZSA-N 0 1 527.385 5.053 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000409020269 1071727391 /nfs/dbraw/zinc/72/73/91/1071727391.db2.gz NIDYETNGSBOCIV-OGLMXYFKSA-N 0 1 570.114 6.775 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4ccccc4)c(Br)c3)C(=O)NC2=S)cc1 ZINC000408764540 1071728332 /nfs/dbraw/zinc/72/83/32/1071728332.db2.gz UNLNHXWZLVKXOW-ODLFYWEKSA-N 0 1 602.304 5.631 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C\c3cc(I)c(OCc4cccc5ccccc54)c(OC)c3)C(=O)NC2=S)cc1 ZINC000408764392 1071729150 /nfs/dbraw/zinc/72/91/50/1071729150.db2.gz MSTIJWHSCFNVHD-OYKKKHCWSA-N 0 1 650.494 5.872 40 10 KKCBMN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cn(CCSc3ccc(Cl)cc3)c3ccccc23)C(=O)NC1=S ZINC000408773989 1071764693 /nfs/dbraw/zinc/76/46/93/1071764693.db2.gz KUEXYECVHRUGSE-HZHRSRAPSA-N 0 1 610.986 6.989 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408773471 1071766235 /nfs/dbraw/zinc/76/62/35/1071766235.db2.gz KXDDSPBZMFYOLN-UVHMKAGCSA-N 0 1 604.603 7.700 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408772539 1071773320 /nfs/dbraw/zinc/77/33/20/1071773320.db2.gz MSIVCGZIIJKAKB-WCMJOSRZSA-N 0 1 563.767 7.010 40 10 KKCBMN CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)c2c1 ZINC000408772341 1071773926 /nfs/dbraw/zinc/77/39/26/1071773926.db2.gz OGDHYPFKBIYXJW-CPNJWEJPSA-N 0 1 515.418 5.775 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000408784599 1071862690 /nfs/dbraw/zinc/86/26/90/1071862690.db2.gz VOTWTZCOBSZRFJ-VCHYOVAHSA-N 0 1 549.277 5.995 40 10 KKCBMN CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(I)c(C)c4)c3C)C(=O)NC2=S)cc1 ZINC000408783986 1071866665 /nfs/dbraw/zinc/86/66/65/1071866665.db2.gz PYNJUSDIYXGVAI-HYARGMPZSA-N 0 1 585.467 5.237 40 10 KKCBMN CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)NC(=S)N(c4ccc(Br)cc4C)C3=O)c2c1 ZINC000408789141 1071896652 /nfs/dbraw/zinc/89/66/52/1071896652.db2.gz JTAKXWFECRXNAC-KGENOOAVSA-N 0 1 539.451 5.539 40 10 KKCBMN CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)NC(=S)N(c4cccc(Cl)c4C)C3=O)c2-c2ccccc2)cc1 ZINC000409095291 1072240554 /nfs/dbraw/zinc/24/05/54/1072240554.db2.gz BUSQPROOEMBVPZ-ANYBSYGZSA-N 0 1 646.168 7.781 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)s3)C(=O)NC2=S)c(OC)c1 ZINC000409095377 1072240942 /nfs/dbraw/zinc/24/09/42/1072240942.db2.gz AYBMVVBMQFBTHV-SFQUDFHCSA-N 0 1 517.053 5.401 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409093502 1072250711 /nfs/dbraw/zinc/25/07/11/1072250711.db2.gz ADWWRTPYNFXVBQ-PCLIKHOPSA-N 0 1 603.125 6.947 40 10 KKCBMN CC[C@H](C)Oc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1OC ZINC000409091908 1072266233 /nfs/dbraw/zinc/26/62/33/1072266233.db2.gz VQCOUUBFYJCTSS-DGGAMASNSA-N 0 1 537.863 5.428 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1cccc(Br)c1 ZINC000409104616 1072353396 /nfs/dbraw/zinc/35/33/96/1072353396.db2.gz GBKACEQBPFFPPE-YBFXNURJSA-N 0 1 528.859 5.650 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)C(=O)NC2=S)c(OC)c1 ZINC000409102764 1072364192 /nfs/dbraw/zinc/36/41/92/1072364192.db2.gz UBAMZJHRPMKRHS-HZHRSRAPSA-N 0 1 517.651 5.240 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(OCc5ccccc5Cl)cc4)c3C)C(=O)NC2=S)c(OC)c1 ZINC000409108620 1072406315 /nfs/dbraw/zinc/40/63/15/1072406315.db2.gz XRQWADCJHWXPAP-WGOQTCKBSA-N 0 1 602.112 6.175 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C)cc4)c(OC)c3)C2=O)cc1OC ZINC000409123340 1072416318 /nfs/dbraw/zinc/41/63/18/1072416318.db2.gz GIKQNFJOJVCABJ-BUVRLJJBSA-N 0 1 544.604 5.042 40 10 KKCBMN CCN(CC)c1ccc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)c(OCc2ccccc2)c1 ZINC000409345999 1072419049 /nfs/dbraw/zinc/41/90/49/1072419049.db2.gz MZTORRPUGPTBHM-HZHRSRAPSA-N 0 1 523.705 5.720 40 10 KKCBMN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409345324 1072426339 /nfs/dbraw/zinc/42/63/39/1072426339.db2.gz LCRCDUDMJITXJW-BUVRLJJBSA-N 0 1 672.591 7.030 40 10 KKCBMN CC(C)c1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc1 ZINC000409343452 1072442429 /nfs/dbraw/zinc/44/24/29/1072442429.db2.gz HDTZAXHAAUROTI-HYARGMPZSA-N 0 1 537.688 5.435 40 10 KKCBMN O=C(NN1C(=O)/C(=C/c2ccccc2OCc2ccc3ccccc3c2)SC1=S)c1cccs1 ZINC000409342488 1072448673 /nfs/dbraw/zinc/44/86/73/1072448673.db2.gz FKHGGPIAFREGNY-HAHDFKILSA-N 0 1 502.642 6.027 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)C2=O)cc1OC ZINC000409126665 1072450287 /nfs/dbraw/zinc/45/02/87/1072450287.db2.gz MHJZHVCJAINLOR-UFFVCSGVSA-N 0 1 678.363 6.803 40 10 KKCBMN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409341294 1072458647 /nfs/dbraw/zinc/45/86/47/1072458647.db2.gz AWQGZDCVKXCADZ-UDWIEESQSA-N 0 1 609.976 6.688 40 10 KKCBMN COc1cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000409339491 1072476311 /nfs/dbraw/zinc/47/63/11/1072476311.db2.gz IZMCIQDAXMDZGA-NDENLUEZSA-N 0 1 500.598 5.021 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCc3cccc4ccccc43)C2=O)cc1OC ZINC000409136134 1072479117 /nfs/dbraw/zinc/47/91/17/1072479117.db2.gz SPHMMEHEMWQLPN-OVVQPSECSA-N 0 1 629.507 6.641 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1OC ZINC000409134783 1072490506 /nfs/dbraw/zinc/49/05/06/1072490506.db2.gz PXZDEATYWYOWFX-WSDLNYQXSA-N 0 1 599.467 6.040 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000409134579 1072491183 /nfs/dbraw/zinc/49/11/83/1072491183.db2.gz WHBFXDMSBZVBGW-LPYMAVHISA-N 0 1 703.340 6.158 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000409133562 1072498410 /nfs/dbraw/zinc/49/84/10/1072498410.db2.gz LKVYQKGNJIBZTA-FYJGNVAPSA-N 0 1 522.468 5.613 40 10 KKCBMN CC[C@H](C)Oc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1OC ZINC000409132645 1072502777 /nfs/dbraw/zinc/50/27/77/1072502777.db2.gz KKCHHXLUVBTUII-FBJMNJBLSA-N 0 1 517.445 5.083 40 10 KKCBMN CC[C@@H](C)Oc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1OC ZINC000409132650 1072502948 /nfs/dbraw/zinc/50/29/48/1072502948.db2.gz KKCHHXLUVBTUII-NGWPFTMJSA-N 0 1 517.445 5.083 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccccc4)c(OCC)c3)C2=O)cc1OC ZINC000409132457 1072504589 /nfs/dbraw/zinc/50/45/89/1072504589.db2.gz ORBBOEAHBCFPMH-OEAKJJBVSA-N 0 1 623.500 5.886 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1cccc(I)c1 ZINC000409131830 1072507728 /nfs/dbraw/zinc/50/77/28/1072507728.db2.gz YHMYUKNXYGAVJI-CIAFOILYSA-N 0 1 555.441 5.147 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3cccc(F)c3)C2=O)cc1OC ZINC000409129828 1072518630 /nfs/dbraw/zinc/51/86/30/1072518630.db2.gz SQYGAIXAJUTKOH-HZHRSRAPSA-N 0 1 552.986 5.518 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCc3ccc(C)cc3)C2=O)cc1OC ZINC000409127497 1072531623 /nfs/dbraw/zinc/53/16/23/1072531623.db2.gz MXAJPPTWTUSCGE-LFVJCYFKSA-N 0 1 593.474 5.796 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4Cl)c(Br)c3)C2=O)cc1OC ZINC000409144799 1072532112 /nfs/dbraw/zinc/53/21/12/1072532112.db2.gz GSFCCYGSSGSKGD-FYJGNVAPSA-N 0 1 613.892 6.141 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Br)c(Cl)c4)o3)C(=O)NC2=S)c(C)c1 ZINC000409141900 1072551039 /nfs/dbraw/zinc/55/10/39/1072551039.db2.gz JOZFLGMLQHEDPD-LFIBNONCSA-N 0 1 515.816 5.811 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OS(=O)(=O)c4ccc(C)cc4)c(Cl)c3)C2=O)cc1OC ZINC000409140404 1072558985 /nfs/dbraw/zinc/55/89/85/1072558985.db2.gz RQQZSGXSUSJGQA-CIAFOILYSA-N 0 1 633.506 5.529 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3Cl)C2=O)cc1OC ZINC000409138077 1072572179 /nfs/dbraw/zinc/57/21/79/1072572179.db2.gz ZRBZSNRQBTZGQX-HYARGMPZSA-N 0 1 569.441 6.032 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Cl)cc(Cl)c3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000409137499 1072575262 /nfs/dbraw/zinc/57/52/62/1072575262.db2.gz XTEWUZPFJMSRKH-LPYMAVHISA-N 0 1 614.438 5.940 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Cl)cc(Cl)c3OCc3ccccc3Cl)C2=O)cc1OC ZINC000409145919 1072584063 /nfs/dbraw/zinc/58/40/63/1072584063.db2.gz SMPBHYIYWGMXAD-FYJGNVAPSA-N 0 1 603.886 6.685 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Oc5ccc([N+](=O)[O-])cn5)cc4)c3C)C(=O)NC2=S)cc1 ZINC000409375458 1072623621 /nfs/dbraw/zinc/62/36/21/1072623621.db2.gz KYZWZBFEBOVVQJ-WGOQTCKBSA-N 0 1 567.627 5.583 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409377245 1072625513 /nfs/dbraw/zinc/62/55/13/1072625513.db2.gz GXRURHROGWQIQU-CIAFOILYSA-N 0 1 552.008 5.230 40 10 KKCBMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000409374723 1072634846 /nfs/dbraw/zinc/63/48/46/1072634846.db2.gz XOIGRZATRMYJCM-GIJQJNRQSA-N 0 1 550.192 5.590 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409374280 1072638075 /nfs/dbraw/zinc/63/80/75/1072638075.db2.gz LFWBTCOWSMRMHY-VXLYETTFSA-N 0 1 515.349 5.226 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(Br)cc1OCc1ccc(Br)cc1 ZINC000409374229 1072639872 /nfs/dbraw/zinc/63/98/72/1072639872.db2.gz ZDIKDUNABSQTKA-GIJQJNRQSA-N 0 1 590.224 5.054 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409374236 1072640012 /nfs/dbraw/zinc/64/00/12/1072640012.db2.gz ZHWIDBDQVAWIBS-REZTVBANSA-N 0 1 627.218 5.441 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409372336 1072646673 /nfs/dbraw/zinc/64/66/73/1072646673.db2.gz KGGSJMWPBFGECN-DHRITJCHSA-N 0 1 564.425 6.235 40 10 KKCBMN COc1ccc(Oc2ccc(-n3c(C)cc(/C=C4\C(=O)NC(=O)N(Cc5ccccc5)C4=O)c3C)cc2)cc1 ZINC000409162725 1072667535 /nfs/dbraw/zinc/66/75/35/1072667535.db2.gz YXZQBBQUWFFXKA-MTDXEUNCSA-N 0 1 521.573 5.557 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4Cl)c(I)c3)C(=O)NC2=S)cc1 ZINC000409378815 1072673057 /nfs/dbraw/zinc/67/30/57/1072673057.db2.gz RYTDENSKBGULMT-RGVLZGJSSA-N 0 1 637.326 6.571 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1O[C@@H](C)CC ZINC000409378400 1072676311 /nfs/dbraw/zinc/67/63/11/1072676311.db2.gz OUGVKDLSBCNACI-UZUMKDMXSA-N 0 1 578.472 5.261 40 10 KKCBMN Cc1ccc(NC(=O)COc2cccc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)c2)cc1C ZINC000409385707 1072691629 /nfs/dbraw/zinc/69/16/29/1072691629.db2.gz JPMMFPYGHWJRNF-DEDYPNTBSA-N 0 1 554.455 5.459 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409382158 1072708056 /nfs/dbraw/zinc/70/80/56/1072708056.db2.gz YQGPCGHZXSHENH-LPYMAVHISA-N 0 1 555.483 6.365 40 10 KKCBMN CC[C@H](C)Oc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1OC ZINC000409381157 1072713132 /nfs/dbraw/zinc/71/31/32/1072713132.db2.gz DGZFHYJAJGMPLP-WIJRQFRKSA-N 0 1 523.836 5.120 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C\c3cc(I)c(OCc4ccc(Cl)cc4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409379616 1072722383 /nfs/dbraw/zinc/72/23/83/1072722383.db2.gz YOYWCXDXVFTTIS-MTJSOVHGSA-N 0 1 632.907 5.926 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C(=O)NC2=S)cc1 ZINC000409389462 1072732527 /nfs/dbraw/zinc/73/25/27/1072732527.db2.gz ZNWRDYAJFFBXAO-LPYMAVHISA-N 0 1 511.430 5.966 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OCc4ccc([N+](=O)[O-])cc4)cc3Br)C(=O)NC2=S)cc1 ZINC000409387643 1072742847 /nfs/dbraw/zinc/74/28/47/1072742847.db2.gz RVYHCKSKYHJRQR-CIAFOILYSA-N 0 1 596.459 5.339 40 10 KKCBMN COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(F)cc4)cc3)c2C)C(=O)NC1=S ZINC000409169763 1072748478 /nfs/dbraw/zinc/74/84/78/1072748478.db2.gz ZJHPVCKUWXMABZ-YZSQISJMSA-N 0 1 555.631 5.652 40 10 KKCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1ccc(Br)cc1Br ZINC000409398718 1072751476 /nfs/dbraw/zinc/75/14/76/1072751476.db2.gz CBQAMDVXWBKUEL-UNOMPAQXSA-N 0 1 528.200 5.252 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3c(OCc4cccc5ccccc54)ccc4ccccc43)C2=O)cc1OCC ZINC000409193340 1072825032 /nfs/dbraw/zinc/82/50/32/1072825032.db2.gz JENSKIPXEMHNSK-WEMUVCOSSA-N 0 1 614.698 7.422 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc(F)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409196504 1072831325 /nfs/dbraw/zinc/83/13/25/1072831325.db2.gz ZVOSWEIKAVJNTB-ZVHZXABRSA-N 0 1 611.066 6.306 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(OCC)c3)C2=O)cc1OCC ZINC000409195175 1072838085 /nfs/dbraw/zinc/83/80/85/1072838085.db2.gz RXKQLYZGWLXBSN-FSJBWODESA-N 0 1 706.417 7.583 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4cccc5ccccc54)c(OCC)c3)C2=O)cc1OCC ZINC000409194936 1072840491 /nfs/dbraw/zinc/84/04/91/1072840491.db2.gz NDKBPOIZFIXHSJ-OGLMXYFKSA-N 0 1 687.587 7.430 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccc(F)cc4)c(Br)c3)C2=O)cc1OCC ZINC000409192840 1072853060 /nfs/dbraw/zinc/85/30/60/1072853060.db2.gz FVMWGDTXKMRLOI-WSDLNYQXSA-N 0 1 690.360 6.779 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Cl)cc(Cl)c3OCc3cccc4ccccc43)C2=O)cc1OCC ZINC000409192102 1072857360 /nfs/dbraw/zinc/85/73/60/1072857360.db2.gz ACJVUNUPSNSPBZ-WPWMEQJKSA-N 0 1 633.528 7.575 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OS(=O)(=O)c4ccc(Cl)cc4)c(Cl)c3)C2=O)cc1OCC ZINC000409191897 1072860201 /nfs/dbraw/zinc/86/02/01/1072860201.db2.gz PVFQCCULWJVCPK-CIAFOILYSA-N 0 1 667.951 6.264 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Cl)cc(Cl)c3OCc3ccccc3Cl)C2=O)cc1OCC ZINC000409191199 1072863590 /nfs/dbraw/zinc/86/35/90/1072863590.db2.gz DFIHWNHSJHSSGH-HYARGMPZSA-N 0 1 617.913 7.075 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4Cl)c(Cl)c3)C2=O)cc1OCC ZINC000409191286 1072864167 /nfs/dbraw/zinc/86/41/67/1072864167.db2.gz UORMXLMQTDFNMS-HYARGMPZSA-N 0 1 583.468 6.422 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OS(=O)(=O)c4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409191320 1072864567 /nfs/dbraw/zinc/86/45/67/1072864567.db2.gz VLLHAAIPSVRHAM-OEAKJJBVSA-N 0 1 722.010 6.118 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)C2=O)cc1OCC ZINC000409191318 1072864597 /nfs/dbraw/zinc/86/45/97/1072864597.db2.gz VJOHSLPYHAJQMZ-SSDVNMTOSA-N 0 1 692.390 7.193 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409190705 1072868332 /nfs/dbraw/zinc/86/83/32/1072868332.db2.gz VKHXCYIQUCMBAM-PCLIKHOPSA-N 0 1 593.076 6.167 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)cc3)C2=O)cc1OCC ZINC000409189727 1072874023 /nfs/dbraw/zinc/87/40/23/1072874023.db2.gz SBDDOLKRMMEBIO-PCLIKHOPSA-N 0 1 532.568 5.254 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Br)cc4)c(OC)c3)C2=O)cc1OCC ZINC000409189584 1072874989 /nfs/dbraw/zinc/87/49/89/1072874989.db2.gz QVQBHLOMLVXPLC-BUVRLJJBSA-N 0 1 623.500 5.886 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4Cl)c(OC)c3)C2=O)cc1OCC ZINC000409189188 1072877811 /nfs/dbraw/zinc/87/78/11/1072877811.db2.gz FDDGWWGJGWNCKR-HZHRSRAPSA-N 0 1 579.049 5.777 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc5ccccc54)c(Cl)c3)C2=O)cc1OCC ZINC000409188099 1072884879 /nfs/dbraw/zinc/88/48/79/1072884879.db2.gz AJJNBHWSDQLRFX-WPWMEQJKSA-N 0 1 599.083 6.922 40 10 KKCBMN COC(=O)c1c(C)c(C)sc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1C ZINC000409198998 1072927394 /nfs/dbraw/zinc/92/73/94/1072927394.db2.gz MWEFHIYZEYEXHR-RQZCQDPDSA-N 0 1 562.500 5.697 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc(Br)c1OCC ZINC000409222577 1072991702 /nfs/dbraw/zinc/99/17/02/1072991702.db2.gz CBXMBMVBAPZQIV-WOJGMQOQSA-N 0 1 517.445 5.201 40 10 KKCBMN Cc1ccc(C)c(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccccc4)c3-c3ccccc3)C(=O)NC2=S)c1 ZINC000409221026 1073001208 /nfs/dbraw/zinc/00/12/08/1073001208.db2.gz JMGYCKSVOXFGSW-ANYBSYGZSA-N 0 1 553.687 7.259 40 10 KKCBMN Cc1ccc(-c2ccc(/C=C3/C(=O)NC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)o2)c(Br)c1 ZINC000409220602 1073003840 /nfs/dbraw/zinc/00/38/40/1073003840.db2.gz BZYGSQGEDQMYLQ-BOPFTXTBSA-N 0 1 535.341 5.868 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000409229785 1073018650 /nfs/dbraw/zinc/01/86/50/1073018650.db2.gz VAJVZCCPAJFMHD-BKUYFWCQSA-N 0 1 508.441 5.305 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000409236662 1073037200 /nfs/dbraw/zinc/03/72/00/1073037200.db2.gz SVWYMQJJSDIXBU-UCQKPKSFSA-N 0 1 522.468 5.811 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000409232118 1073062708 /nfs/dbraw/zinc/06/27/08/1073062708.db2.gz OCGPFVSITHFARI-CVKSISIWSA-N 0 1 610.057 7.177 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409231333 1073065008 /nfs/dbraw/zinc/06/50/08/1073065008.db2.gz BYAFJOXYKZYLCY-JFLMPSFJSA-N 0 1 604.559 7.428 40 10 KKCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 ZINC000409230257 1073071348 /nfs/dbraw/zinc/07/13/48/1073071348.db2.gz CUOROZHWYZGNOS-VEILYXNESA-N 0 1 628.075 8.315 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000409246818 1073073230 /nfs/dbraw/zinc/07/32/30/1073073230.db2.gz DVYWFBUIYALZDO-JAIQZWGSSA-N 0 1 589.886 5.800 40 10 KKCBMN Cc1cccc(NC(=O)Cn2cc(/C=C3\C(=O)NC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c3ccccc32)c1 ZINC000409245240 1073084684 /nfs/dbraw/zinc/08/46/84/1073084684.db2.gz POBACRKYGUSYTA-YDZHTSKRSA-N 0 1 562.573 5.439 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1cccc(I)c1 ZINC000409244860 1073087088 /nfs/dbraw/zinc/08/70/88/1073087088.db2.gz JRQSNAZKPXNEPB-YDZHTSKRSA-N 0 1 569.468 5.653 40 10 KKCBMN CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(Cl)c4)C3=O)c2C)cc1 ZINC000409244482 1073088067 /nfs/dbraw/zinc/08/80/67/1073088067.db2.gz DGCGPKWJJFEUIQ-LPYMAVHISA-N 0 1 522.026 5.064 40 10 KKCBMN COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1C ZINC000409244511 1073088094 /nfs/dbraw/zinc/08/80/94/1073088094.db2.gz DUXXQNFRCJQIHK-VXLYETTFSA-N 0 1 533.959 5.606 40 10 KKCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cccn1-c1ccc(Br)cc1 ZINC000409244103 1073090152 /nfs/dbraw/zinc/09/01/52/1073090152.db2.gz XSCIHIIMGLIRFI-LDADJPATSA-N 0 1 520.330 5.090 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)Nc4ccc(F)cc4)c4ccccc34)C(=O)NC2=S)cc1Cl ZINC000409243388 1073093289 /nfs/dbraw/zinc/09/32/89/1073093289.db2.gz WBFSZGBMDOTNGC-WSDLNYQXSA-N 0 1 547.011 5.212 40 10 KKCBMN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)o1 ZINC000409242284 1073097102 /nfs/dbraw/zinc/09/71/02/1073097102.db2.gz WQAZFCKRGDAMEA-WQRHYEAKSA-N 0 1 501.442 5.013 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409238421 1073120888 /nfs/dbraw/zinc/12/08/88/1073120888.db2.gz ZTUROGOGGIJCKK-IPPBACCNSA-N 0 1 584.185 7.355 40 10 KKCBMN Cc1cccc(NC(=O)Cn2cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(C)C)cc4)C3=O)c3ccccc32)c1 ZINC000409237321 1073126930 /nfs/dbraw/zinc/12/69/30/1073126930.db2.gz IAFXVLRNKPCTIW-WGOQTCKBSA-N 0 1 536.657 5.543 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409249869 1073138575 /nfs/dbraw/zinc/13/85/75/1073138575.db2.gz IXSMPRWEWXOGKT-XKZIYDEJSA-N 0 1 564.063 5.204 40 10 KKCBMN O=C(COc1c(Cl)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Cl)Nc1ccc(Cl)cc1 ZINC000409255344 1073156674 /nfs/dbraw/zinc/15/66/74/1073156674.db2.gz JPXTUGGNTUTKKP-ZDLGFXPLSA-N 0 1 560.846 5.496 40 10 KKCBMN Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c1C ZINC000409265887 1073205329 /nfs/dbraw/zinc/20/53/29/1073205329.db2.gz UUTIFYSKXFISNH-NDENLUEZSA-N 0 1 643.357 5.677 40 10 KKCBMN Cc1cccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2Cl)c1C ZINC000409271237 1073264677 /nfs/dbraw/zinc/26/46/77/1073264677.db2.gz KWDAYMXOJNYDOR-ODLFYWEKSA-N 0 1 554.455 5.459 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408851775 195491320 /nfs/dbraw/zinc/49/13/20/195491320.db2.gz GBFXELWUEGPSOH-CXUHLZMHSA-N 0 1 657.288 6.156 40 10 KKCBMN Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O ZINC000000830767 551546134 /nfs/dbraw/zinc/54/61/34/551546134.db2.gz SYROSFCODYDZJQ-UHFFFAOYSA-N 0 1 514.994 5.288 40 10 KKCBMN CCOC(=O)c1oc2c(cc(CC)c([O-])c2C[N@H+]2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c(=O)c1-c1ccc2c(c1)OCCO2 ZINC000001869120 551719073 /nfs/dbraw/zinc/71/90/73/551719073.db2.gz BZJICKCLYNNFRN-VTLMBFNKSA-N 0 1 561.675 6.077 40 10 KKCBMN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCCCC4)cc3)ccc2Cl)c1 ZINC000013670247 553481661 /nfs/dbraw/zinc/48/16/61/553481661.db2.gz YZYQHIMDCSKMEC-UHFFFAOYSA-N 0 1 512.075 5.678 40 10 KKCBMN COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000020287670 553633012 /nfs/dbraw/zinc/63/30/12/553633012.db2.gz BNFIMFXBKBGQJK-ONUIUJJFSA-N 0 1 514.582 6.063 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1cn(Cc2cccc3ccccc32)c2ccccc12 ZINC000032189270 553866925 /nfs/dbraw/zinc/86/69/25/553866925.db2.gz YAXXLBQXERMYOS-JLPGSUDCSA-N 0 1 505.574 5.813 40 10 KKCBMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(CCOc2ccc(Br)cc2)c2ccccc12 ZINC000097964372 553897779 /nfs/dbraw/zinc/89/77/79/553897779.db2.gz CDQHGLBBXZYABV-HYARGMPZSA-N 0 1 534.366 5.578 40 10 KKCBMN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)[C@H](N[C@@H](C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000097999467 554043168 /nfs/dbraw/zinc/04/31/68/554043168.db2.gz GYWXPURVSNZRDM-VAUQXRHESA-N 0 1 610.864 10.250 40 10 KKCBMN COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC(C)C)cc2)N3)c1 ZINC000058849449 554369049 /nfs/dbraw/zinc/36/90/49/554369049.db2.gz OVMXQJQDQRVMHN-CTVOUCONSA-N 0 1 520.651 6.118 40 10 KKCBMN COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc4c(c2)OCO4)N3)c1 ZINC000058849453 554369103 /nfs/dbraw/zinc/36/91/03/554369103.db2.gz KWLPNOZEEWSEED-ASHZAFPQSA-N 0 1 506.580 5.060 40 10 KKCBMN Cc1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000059109565 554380838 /nfs/dbraw/zinc/38/08/38/554380838.db2.gz URNUNCTVXIUEQZ-PXLXIMEGSA-N 0 1 505.575 5.237 40 10 KKCBMN Cc1c(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000059135992 554381715 /nfs/dbraw/zinc/38/17/15/554381715.db2.gz YMMGDQCJANRLFQ-KGENOOAVSA-N 0 1 503.986 6.462 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000059135773 554381774 /nfs/dbraw/zinc/38/17/74/554381774.db2.gz PRXZNODRLFXDRL-SFQUDFHCSA-N 0 1 511.372 5.839 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(OCc2ccc(Br)cc2)cc1 ZINC000059135853 554381937 /nfs/dbraw/zinc/38/19/37/554381937.db2.gz BMVNLBDWJHPZBF-CPNJWEJPSA-N 0 1 511.372 5.839 40 10 KKCBMN COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)c2C)cc1Cl ZINC000059136201 554382339 /nfs/dbraw/zinc/38/23/39/554382339.db2.gz WTRALIFZQIKGQK-WOJGMQOQSA-N 0 1 511.962 5.345 40 10 KKCBMN CCOc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccccc1Cl ZINC000059136155 554382356 /nfs/dbraw/zinc/38/23/56/554382356.db2.gz PMTJQZPKXYPAHW-QGOAFFKASA-N 0 1 510.974 6.128 40 10 KKCBMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000059198499 554385040 /nfs/dbraw/zinc/38/50/40/554385040.db2.gz YIZAMTGGQDTKGO-NDENLUEZSA-N 0 1 514.832 6.182 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C(=O)NC2=S)c(OC)c1 ZINC000059595855 554408314 /nfs/dbraw/zinc/40/83/14/554408314.db2.gz ICXXCXILKDKFCP-MHWRWJLKSA-N 0 1 503.363 5.102 40 10 KKCBMN Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1C=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O ZINC000100535395 554411991 /nfs/dbraw/zinc/41/19/91/554411991.db2.gz FQXBIKBMVMUDSS-UHFFFAOYSA-N 0 1 508.603 5.251 40 10 KKCBMN CC(=Cc1ccccc1)C=C1SC(=S)N([C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)C1=O ZINC000100912633 554518197 /nfs/dbraw/zinc/51/81/97/554518197.db2.gz CNUHCXOHLXJVNY-VQKQTUBZSA-N 0 1 502.539 5.185 40 10 KKCBMN CC(=Cc1ccccc1)C=C1SC(=S)N(C2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)C1=O ZINC000100912633 554518201 /nfs/dbraw/zinc/51/82/01/554518201.db2.gz CNUHCXOHLXJVNY-VQKQTUBZSA-N 0 1 502.539 5.185 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc5ccccc5c4)c4ccccc34)C(=O)NC2=S)c(OC)c1 ZINC000103780688 555476228 /nfs/dbraw/zinc/47/62/28/555476228.db2.gz ZKNGNRDGFIIULD-WGOQTCKBSA-N 0 1 547.636 5.691 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2F)c(Br)c1 ZINC000103851584 571364915 /nfs/dbraw/zinc/36/49/15/571364915.db2.gz ZQDSVMMYSGLSRG-OQLLNIDSSA-N 0 1 608.258 5.900 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1 ZINC000103851661 571364963 /nfs/dbraw/zinc/36/49/63/571364963.db2.gz YDEPLCWGFIKPPZ-CXUHLZMHSA-N 0 1 563.807 5.791 40 10 KKCBMN Cc1cccc(COc2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)cc2Br)c1 ZINC000103851537 571365007 /nfs/dbraw/zinc/36/50/07/571365007.db2.gz VLBQFDBQTFJBDZ-LDADJPATSA-N 0 1 525.399 5.307 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(Br)cc1OCc1ccc(F)cc1 ZINC000103852203 571365241 /nfs/dbraw/zinc/36/52/41/571365241.db2.gz DBZSYWNOPVSPKT-LICLKQGHSA-N 0 1 559.388 5.146 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000103852193 571365365 /nfs/dbraw/zinc/36/53/65/571365365.db2.gz YIGZLIQKKDOJJK-OQLLNIDSSA-N 0 1 610.288 6.314 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000103852599 571365430 /nfs/dbraw/zinc/36/54/30/571365430.db2.gz MFXUMDZHYVIABX-GZTJUZNOSA-N 0 1 589.870 6.051 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000103852637 571365435 /nfs/dbraw/zinc/36/54/35/571365435.db2.gz SZXRLIMQMQPZGP-WOJGMQOQSA-N 0 1 600.422 5.305 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000103852541 571365470 /nfs/dbraw/zinc/36/54/70/571365470.db2.gz LFAHAXKVNMRRMC-XDHOZWIPSA-N 0 1 525.001 5.597 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000103852322 571365500 /nfs/dbraw/zinc/36/55/00/571365500.db2.gz OCVVWWJLXADUSD-PCLIKHOPSA-N 0 1 560.050 6.297 40 10 KKCBMN Cc1c(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000103852447 571365518 /nfs/dbraw/zinc/36/55/18/571365518.db2.gz LPRAJBHRWREHHF-DEDYPNTBSA-N 0 1 538.431 6.275 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(Br)cc1OCc1ccccc1 ZINC000103852740 571365584 /nfs/dbraw/zinc/36/55/84/571365584.db2.gz WIWSRPZQWVITNR-LDADJPATSA-N 0 1 555.425 5.397 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Br)cc1 ZINC000103853261 571365830 /nfs/dbraw/zinc/36/58/30/571365830.db2.gz CIBLIZJACHVWCW-LDADJPATSA-N 0 1 590.268 5.761 40 10 KKCBMN CC[NH+](CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)c2C)cc1 ZINC000103859090 571366959 /nfs/dbraw/zinc/36/69/59/571366959.db2.gz IHCKGMNDCBAVTL-LFVJCYFKSA-N 0 1 535.442 5.369 40 10 KKCBMN COc1cc(NN=C2C=C(CN(C)C)C(=O)c3ncccc32)c(OC)cc1N=Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000104226085 571377396 /nfs/dbraw/zinc/37/73/96/571377396.db2.gz BHYQQKVAXFPODQ-AWIWTGTASA-N 0 1 584.420 8.065 40 10 KKCBMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(N=NC3C(=O)[C@H](c4ccccc4)N(c4ccccc4)C3=O)cc2)n1 ZINC000104269775 571378174 /nfs/dbraw/zinc/37/81/74/571378174.db2.gz JNYDKZAGIKOUBX-PVBDKRCPSA-N 0 1 540.605 5.536 40 10 KKCBMN COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Br)cc2)N3)c1 ZINC000104649562 571382942 /nfs/dbraw/zinc/38/29/42/571382942.db2.gz JKHURNNZTZXVFY-LZCXECNNSA-N 0 1 541.467 6.094 40 10 KKCBMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2 ZINC000104649788 571383078 /nfs/dbraw/zinc/38/30/78/571383078.db2.gz KDVRARIIJRGIIK-QLODZENZSA-N 0 1 535.880 7.283 40 10 KKCBMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000104649781 571383082 /nfs/dbraw/zinc/38/30/82/571383082.db2.gz BXENXTSWYLSPRX-WZOHSFFVSA-N 0 1 545.886 6.738 40 10 KKCBMN COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Br)N3)c1 ZINC000104650577 571383277 /nfs/dbraw/zinc/38/32/77/571383277.db2.gz DXBZZQISPISEFW-ANSQWYIGSA-N 0 1 541.467 6.094 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000111509731 571433495 /nfs/dbraw/zinc/43/34/95/571433495.db2.gz ZGTZEZUTRISEBR-JAIQZWGSSA-N 0 1 589.870 6.051 40 10 KKCBMN COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000112231447 571434220 /nfs/dbraw/zinc/43/42/20/571434220.db2.gz SVMUFXYOAIDRPB-ONUIUJJFSA-N 0 1 541.589 5.832 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000150427719 571491819 /nfs/dbraw/zinc/49/18/19/571491819.db2.gz ABCBKPPXPDTOSG-LSCVHKIXSA-N 0 1 657.288 6.156 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000164407645 571547455 /nfs/dbraw/zinc/54/74/55/571547455.db2.gz HTNNTBACWLLMAY-MHWRWJLKSA-N 0 1 624.315 6.704 40 10 KKCBMN C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)cc21 ZINC000208239034 571573594 /nfs/dbraw/zinc/57/35/94/571573594.db2.gz QWHBUNUXZNMKCZ-HVOBPNNYSA-N 0 1 532.891 5.656 40 10 KKCBMN C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)cc21 ZINC000208239078 571573694 /nfs/dbraw/zinc/57/36/94/571573694.db2.gz QWHBUNUXZNMKCZ-SGPNVBEDSA-N 0 1 532.891 5.656 40 10 KKCBMN CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=CNc1ccc(Br)cc1Cl ZINC000408530548 572172420 /nfs/dbraw/zinc/17/24/20/572172420.db2.gz JELIMUXLPZGBAW-HAHDFKILSA-N 0 1 524.890 7.289 40 10 KKCBMN Cc1[nH]n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(=O)c1C=Nc1ccc(Br)cc1Cl ZINC000408530548 572172422 /nfs/dbraw/zinc/17/24/22/572172422.db2.gz JELIMUXLPZGBAW-HAHDFKILSA-N 0 1 524.890 7.289 40 10 KKCBMN CCn1c2cc(Br)c(NC=C3C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)N=C3C)cc2n(CC)c1=O ZINC000408534254 572185805 /nfs/dbraw/zinc/18/58/05/572185805.db2.gz PYPWXERLLVUVIG-BWAHOGKJSA-N 0 1 602.577 6.792 40 10 KKCBMN CCn1c2cc(Br)c(N=Cc3c(C)[nH]n(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)c3=O)cc2n(CC)c1=O ZINC000408534254 572185806 /nfs/dbraw/zinc/18/58/06/572185806.db2.gz PYPWXERLLVUVIG-BWAHOGKJSA-N 0 1 602.577 6.792 40 10 KKCBMN Cc1[nH]n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(=O)c1C=Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC000408534407 572186016 /nfs/dbraw/zinc/18/60/16/572186016.db2.gz QVMDLRXCHFZNOL-QXPFVDMISA-N 0 1 590.768 8.249 40 10 KKCBMN CCCCCCOc1c(Br)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Br ZINC000408541488 572208872 /nfs/dbraw/zinc/20/88/72/572208872.db2.gz ZRWWXPJQQCZQMV-ATVHPVEESA-N 0 1 566.315 6.002 40 10 KKCBMN Cc1[nH]n(-c2ccc(Br)c(C)c2C)c(=O)c1C=Nc1nnc(-c2ccc(Cl)cc2Cl)s1 ZINC000408535865 572189617 /nfs/dbraw/zinc/18/96/17/572189617.db2.gz UFKAOJJINRNEIP-DHDCSXOGSA-N 0 1 537.270 6.610 40 10 KKCBMN CCOc1cc(COc2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2)ccc1OCc1ccccc1 ZINC000408539246 572201438 /nfs/dbraw/zinc/20/14/38/572201438.db2.gz GGACKFVRPBRDLR-USHMODERSA-N 0 1 564.663 6.075 40 10 KKCBMN CCn1c2cc(Br)c(NC=C3C(=O)N(c4ccc(Br)cc4C)N=C3C)cc2n(CC)c1=O ZINC000408539857 572203857 /nfs/dbraw/zinc/20/38/57/572203857.db2.gz ZNTDPSXZUJITER-VBKFSLOCSA-N 0 1 561.278 5.395 40 10 KKCBMN CCn1c2cc(Br)c(N=Cc3c(C)[nH]n(-c4ccc(Br)cc4C)c3=O)cc2n(CC)c1=O ZINC000408539857 572203859 /nfs/dbraw/zinc/20/38/59/572203859.db2.gz ZNTDPSXZUJITER-VBKFSLOCSA-N 0 1 561.278 5.395 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408540993 572207475 /nfs/dbraw/zinc/20/74/75/572207475.db2.gz ANVLYGQQZZNTHO-KOEQRZSOSA-N 0 1 634.552 5.494 40 10 KKCBMN CCOc1cc(COc2c(Cl)cc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408541014 572207496 /nfs/dbraw/zinc/20/74/96/572207496.db2.gz XGYABVUPOUDEJG-QQXSKIMKSA-N 0 1 629.134 6.737 40 10 KKCBMN CCOc1cc(COc2ccc(Br)cc2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccccc1 ZINC000408541186 572207898 /nfs/dbraw/zinc/20/78/98/572207898.db2.gz YHAYKRWFSAHWFJ-DIBXZPPDSA-N 0 1 643.559 6.837 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408544505 572216021 /nfs/dbraw/zinc/21/60/21/572216021.db2.gz UKARPXPYLISLSP-PCLIKHOPSA-N 0 1 634.552 5.494 40 10 KKCBMN CCOc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C(=O)N5CCCCC5)cc4)c(OC)c3)C(=O)NC2=S)c1 ZINC000408544771 572216816 /nfs/dbraw/zinc/21/68/16/572216816.db2.gz XFDHWXRQGYEPGZ-OVVQPSECSA-N 0 1 599.709 5.130 40 10 KKCBMN COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1NC(=O)c1ccccc1 ZINC000408581831 572264584 /nfs/dbraw/zinc/26/45/84/572264584.db2.gz AQHSXEVXFJZICD-UHFFFAOYSA-N 0 1 520.994 5.633 40 10 KKCBMN CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1NC(=O)c1ccccc1 ZINC000408585065 572266058 /nfs/dbraw/zinc/26/60/58/572266058.db2.gz BQLUEGKQGNBONK-UHFFFAOYSA-N 0 1 535.021 6.023 40 10 KKCBMN O=C1NC(=S)N(c2cccc3ccccc32)C(=O)C1=Cc1ccc2c(c1)CCCN2Cc1ccccc1 ZINC000102627460 1069705571 /nfs/dbraw/zinc/70/55/71/1069705571.db2.gz KDIVCXWJBJMKMU-XHPQRKPJSA-N 0 1 503.627 6.035 40 10 KKCBMN O=C1NC(=S)N(c2cccc3ccccc32)C(=O)C1=Cc1ccc2c(c1)CCN2Cc1ccccc1Cl ZINC000103119458 1069708426 /nfs/dbraw/zinc/70/84/26/1069708426.db2.gz HKPDAINRBLEGBF-ULJHMMPZSA-N 0 1 524.045 6.299 40 10 KKCBMN COc1ccc(CCN2C(=O)NC(=O)C(=Cc3ccc4c(c3)CCN4Cc3ccccc3Cl)C2=O)cc1OC ZINC000103115646 1069708461 /nfs/dbraw/zinc/70/84/61/1069708461.db2.gz SEZDYQHDZDWIHJ-KQWNVCNZSA-N 0 1 546.023 5.465 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408722460 1069727127 /nfs/dbraw/zinc/72/71/27/1069727127.db2.gz JBUNPAICKNFDJL-RQZCQDPDSA-N 0 1 640.770 7.218 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000408769696 1069876834 /nfs/dbraw/zinc/87/68/34/1069876834.db2.gz ZNTHXCIXXSHKRH-VXLYETTFSA-N 0 1 681.200 6.393 40 10 KKCBMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cn(CCSc2ccc(Cl)cc2)c2ccccc12 ZINC000408778800 1069898615 /nfs/dbraw/zinc/89/86/15/1069898615.db2.gz LCRMCEGJPSUSKK-HZHRSRAPSA-N 0 1 552.508 6.572 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cn(CCSc2ccc(Cl)cc2)c2ccccc12 ZINC000408788239 1069924974 /nfs/dbraw/zinc/92/49/74/1069924974.db2.gz CUHAWLRPQOJGQS-OEAKJJBVSA-N 0 1 552.508 6.572 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)ccc1OCc1cccc(C)c1 ZINC000408842731 1070046220 /nfs/dbraw/zinc/04/62/20/1070046220.db2.gz CHSQWHXXNFLALL-LDADJPATSA-N 0 1 527.429 5.721 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000408847979 1070056888 /nfs/dbraw/zinc/05/68/88/1070056888.db2.gz OROPTCJGPUKIEB-LICLKQGHSA-N 0 1 640.770 7.218 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(I)cc2)c(I)c1 ZINC000408847718 1070056320 /nfs/dbraw/zinc/05/63/20/1070056320.db2.gz REJZMWWXFACKFB-OVCLIPMQSA-N 0 1 814.064 7.375 40 10 KKCBMN COC(=O)c1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c1C ZINC000408853084 1070060519 /nfs/dbraw/zinc/06/05/19/1070060519.db2.gz LHZYWOHAMXDHGF-SFQUDFHCSA-N 0 1 528.417 5.019 40 10 KKCBMN Cc1c(Br)c(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccccc1 ZINC000408857917 1070068697 /nfs/dbraw/zinc/06/86/97/1070068697.db2.gz QCEJRMBZBAQHSI-FYJGNVAPSA-N 0 1 508.441 5.305 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408854235 1070071761 /nfs/dbraw/zinc/07/17/61/1070071761.db2.gz AMFIYOHZYNPXPK-CXUHLZMHSA-N 0 1 626.743 6.828 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(Br)c(Br)c1O ZINC000408855251 1070074139 /nfs/dbraw/zinc/07/41/39/1070074139.db2.gz DURUXMBGZJWYDY-VMPITWQZSA-N 0 1 581.069 5.064 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)ccc1OCc1ccccc1Cl ZINC000408854994 1070074214 /nfs/dbraw/zinc/07/42/14/1070074214.db2.gz CGNHCFOSMSHRND-LFIBNONCSA-N 0 1 547.847 6.066 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(OCc2ccc3ccccc3c2)c(I)c1 ZINC000408855919 1070075170 /nfs/dbraw/zinc/07/51/70/1070075170.db2.gz OTIYQKGAYFYLIV-DEDYPNTBSA-N 0 1 659.332 7.162 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000408859126 1070080425 /nfs/dbraw/zinc/08/04/25/1070080425.db2.gz WSBBERKNIWLCJT-LDADJPATSA-N 0 1 540.859 6.481 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408868319 1070089281 /nfs/dbraw/zinc/08/92/81/1070089281.db2.gz PPJYIIBMVFNJOA-NDENLUEZSA-N 0 1 537.981 5.057 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408917143 1070206504 /nfs/dbraw/zinc/20/65/04/1070206504.db2.gz NRSXKVGVXAYSDD-ZDLGFXPLSA-N 0 1 531.392 5.551 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408916443 1070220106 /nfs/dbraw/zinc/22/01/06/1070220106.db2.gz CHTFUEQQXNHWBH-JAIQZWGSSA-N 0 1 545.419 5.942 40 10 KKCBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(SCC(=O)Nc4ccc5ccccc5c4)c([N+](=O)[O-])c3)C(=O)NC2=S)c1 ZINC000408991910 1070359148 /nfs/dbraw/zinc/35/91/48/1070359148.db2.gz PESCFTNSOMGFDV-AFUMVMLFSA-N 0 1 596.690 5.927 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(I)cc4)cc3)C(=O)NC2=S)cc1 ZINC000408995134 1070363199 /nfs/dbraw/zinc/36/31/99/1070363199.db2.gz JJHBYPBGDDTWHI-HZHRSRAPSA-N 0 1 568.436 5.264 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)[C@@H]7CCCC[C@@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1C ZINC000408993849 1070369548 /nfs/dbraw/zinc/36/95/48/1070369548.db2.gz XFVWSIMAUAFCQX-ZRXGRHLGSA-N 0 1 697.820 6.483 40 10 KKCBMN Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)NC1=S ZINC000409070061 1070495695 /nfs/dbraw/zinc/49/56/95/1070495695.db2.gz MVCLHLZHQLOBDB-XNTDXEJSSA-N 0 1 502.335 5.301 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4Cl)c3C)C(=O)NC2=S)c(OC)c1 ZINC000409099387 1070532694 /nfs/dbraw/zinc/53/26/94/1070532694.db2.gz RBPQZYCXTTVVGK-VCHYOVAHSA-N 0 1 530.433 5.249 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccccc4)c(Cl)c3)C2=O)cc1OC ZINC000409132568 1070551355 /nfs/dbraw/zinc/55/13/55/1070551355.db2.gz QMMYLQLJNCMQOM-CIAFOILYSA-N 0 1 569.441 6.032 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)C2=O)cc1OC ZINC000409135895 1070560768 /nfs/dbraw/zinc/56/07/68/1070560768.db2.gz SUVQWVLTBULNBV-YDZHTSKRSA-N 0 1 668.497 5.794 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc(F)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409138513 1070562323 /nfs/dbraw/zinc/56/23/23/1070562323.db2.gz CZRJNEHTGRKWGH-YDZHTSKRSA-N 0 1 597.039 5.916 40 10 KKCBMN COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4)cc3)c2C)C(=O)NC1=S ZINC000409173263 1070588943 /nfs/dbraw/zinc/58/89/43/1070588943.db2.gz OIZNVDZALGWPLK-NLRVBDNBSA-N 0 1 537.641 5.513 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(Cl)c4)cc3)C2=O)cc1OCC ZINC000409189222 1070606291 /nfs/dbraw/zinc/60/62/91/1070606291.db2.gz NAFNVQHQEITYQC-PCLIKHOPSA-N 0 1 549.023 5.769 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4ccc(C)cc4)c(OC)c3)C2=O)cc1OCC ZINC000409192153 1070609973 /nfs/dbraw/zinc/60/99/73/1070609973.db2.gz AXZDGTWTDKKHBP-ZVHZXABRSA-N 0 1 684.527 6.037 40 10 KKCBMN CC[C@@H](C)Oc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc1OC ZINC000409229261 1070646353 /nfs/dbraw/zinc/64/63/53/1070646353.db2.gz MGNVJXYLQXLJHB-ZXMBATIKSA-N 0 1 517.445 5.083 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1cc(Cl)ccc1Cl ZINC000409237850 1070654160 /nfs/dbraw/zinc/65/41/60/1070654160.db2.gz XMXZNLXJGAXHHX-MHWRWJLKSA-N 0 1 504.826 5.886 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(Br)c4)o3)C(=O)NC2=S)cc1Cl ZINC000409233920 1070659873 /nfs/dbraw/zinc/65/98/73/1070659873.db2.gz IOABTIYYCREEQN-GZTJUZNOSA-N 0 1 501.789 5.502 40 10 KKCBMN Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2Br)cc1Cl ZINC000409254446 1070672787 /nfs/dbraw/zinc/67/27/87/1070672787.db2.gz INOGXFHAXVWJKY-ODLFYWEKSA-N 0 1 584.879 5.260 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1Cc1ccccc1Cl ZINC000408881154 1070784091 /nfs/dbraw/zinc/78/40/91/1070784091.db2.gz JWJFUPPIIDHDTL-ODLFYWEKSA-N 0 1 588.854 5.375 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1Cc1cc(C)cc(C)c1 ZINC000408877716 1070804410 /nfs/dbraw/zinc/80/44/10/1070804410.db2.gz XXOXZPIXFFQUNJ-UCQKPKSFSA-N 0 1 596.490 5.729 40 10 KKCBMN COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OCc1ccccc1Cl ZINC000409326377 1070844714 /nfs/dbraw/zinc/84/47/14/1070844714.db2.gz BCZDMKKEQLMNCH-UDWIEESQSA-N 0 1 517.053 5.535 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(Br)c4)c3C)C(=O)NC2=S)cc1 ZINC000409376400 1070889541 /nfs/dbraw/zinc/88/95/41/1070889541.db2.gz XWOGOYUQGBJURY-LPYMAVHISA-N 0 1 508.441 5.250 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCc4ccc5ccccc5c4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409381263 1070899201 /nfs/dbraw/zinc/89/92/01/1070899201.db2.gz SNTJFRJFPLITOE-MFKUBSTISA-N 0 1 557.071 6.475 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1cccc(C)c1 ZINC000409369962 1070893956 /nfs/dbraw/zinc/89/39/56/1070893956.db2.gz IGURRPMGIKITDS-OEAKJJBVSA-N 0 1 626.516 5.971 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1O[C@H](C)CC ZINC000409370529 1070894056 /nfs/dbraw/zinc/89/40/56/1070894056.db2.gz SIVQAEKYCWCTFS-IYSPOMMRSA-N 0 1 531.472 5.419 40 10 KKCBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409405013 1070924220 /nfs/dbraw/zinc/92/42/20/1070924220.db2.gz FTTSQPUVKJATFI-NVMNQCDNSA-N 0 1 503.769 5.696 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1ccc(C)cc1 ZINC000408919128 1071124910 /nfs/dbraw/zinc/12/49/10/1071124910.db2.gz SZXODSBWKHJHFJ-MTJSOVHGSA-N 0 1 569.452 5.706 40 10 KKCBMN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cccn2-c2cccc(C(F)(F)F)c2)C(=O)NC1=S ZINC000408932872 1071248815 /nfs/dbraw/zinc/24/88/15/1071248815.db2.gz FHTKPXVNVGZJCQ-LDADJPATSA-N 0 1 534.357 5.398 40 10 KKCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Br)cc1 ZINC000408695076 1071385227 /nfs/dbraw/zinc/38/52/27/1071385227.db2.gz OYLWWIKQPKQCNV-XDHOZWIPSA-N 0 1 548.231 5.195 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408692499 1071394527 /nfs/dbraw/zinc/39/45/27/1071394527.db2.gz NVBFQWOTNMTISX-WGOQTCKBSA-N 0 1 562.464 5.840 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408692625 1071393941 /nfs/dbraw/zinc/39/39/41/1071393941.db2.gz QZYPLCKFEJANFX-LZYBPNLTSA-N 0 1 568.251 5.748 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408692590 1071394036 /nfs/dbraw/zinc/39/40/36/1071394036.db2.gz QBZHOAPHHBYZHR-VCHYOVAHSA-N 0 1 578.257 5.204 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000408692184 1071395356 /nfs/dbraw/zinc/39/53/56/1071395356.db2.gz GRFYGPJJJBEQHB-VCHYOVAHSA-N 0 1 533.806 5.095 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408692395 1071395668 /nfs/dbraw/zinc/39/56/68/1071395668.db2.gz LPIPLSSDJQZVIE-RQZCQDPDSA-N 0 1 537.827 6.029 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000408692004 1071396401 /nfs/dbraw/zinc/39/64/01/1071396401.db2.gz BDLVXTAFQMRBQL-AFUMVMLFSA-N 0 1 552.458 6.384 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc2ncccc2c1 ZINC000408966348 1071410193 /nfs/dbraw/zinc/41/01/93/1071410193.db2.gz LYYBAWZUSHKFLM-HYARGMPZSA-N 0 1 531.435 5.236 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1cccc(Br)c1 ZINC000408967065 1071407782 /nfs/dbraw/zinc/40/77/82/1071407782.db2.gz PRDVDQJEGVTXKS-GIJQJNRQSA-N 0 1 532.822 5.480 40 10 KKCBMN O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000408968399 1071461480 /nfs/dbraw/zinc/46/14/80/1071461480.db2.gz YLBVSTZKIHCNMW-ITYLOYPMSA-N 0 1 578.068 7.435 40 10 KKCBMN O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000408968290 1071462175 /nfs/dbraw/zinc/46/21/75/1071462175.db2.gz XYISRYSBXQFUNJ-NTEUORMPSA-N 0 1 506.298 5.132 40 10 KKCBMN CSc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1C(=O)N1CCCCCC1 ZINC000408715029 1071471770 /nfs/dbraw/zinc/47/17/70/1071471770.db2.gz XPNXDQGAEOTVRP-UHFFFAOYSA-N 0 1 543.110 6.110 40 10 KKCBMN CC[NH+](CC)c1ccc(-n2c(C)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)c2C)cc1 ZINC000408985695 1071497765 /nfs/dbraw/zinc/49/77/65/1071497765.db2.gz XTLICRPBUMDJPQ-IWIPYMOSSA-N 0 1 505.018 5.569 40 10 KKCBMN O=C1NC(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408723470 1071528235 /nfs/dbraw/zinc/52/82/35/1071528235.db2.gz VOLSNEMBOJMCBD-CXUHLZMHSA-N 0 1 559.343 5.433 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408722724 1071532114 /nfs/dbraw/zinc/53/21/14/1071532114.db2.gz MSGMJGOKHGQTLH-GIJQJNRQSA-N 0 1 640.770 7.218 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408722540 1071532724 /nfs/dbraw/zinc/53/27/24/1071532724.db2.gz JXXDXPQINACYOE-LZYBPNLTSA-N 0 1 626.743 6.828 40 10 KKCBMN Cc1ccccc1C(=O)Nc1ccc2nc(Sc3ccc(/C=C4/C(=O)NC(=S)N(c5ccccc5)C4=O)cc3[N+](=O)[O-])sc2c1 ZINC000408993613 1071565433 /nfs/dbraw/zinc/56/54/33/1071565433.db2.gz WKOSJXDTERWPQS-HZHRSRAPSA-N 0 1 651.751 6.748 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408989361 1071597859 /nfs/dbraw/zinc/59/78/59/1071597859.db2.gz HNYUESNMPPBCFP-LICLKQGHSA-N 0 1 685.221 7.246 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C\c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1 ZINC000408987646 1071612461 /nfs/dbraw/zinc/61/24/61/1071612461.db2.gz BMUUFGBZGKDIJP-SFQUDFHCSA-N 0 1 532.628 5.495 40 10 KKCBMN CC(C)c1ccc(N2C(=O)/C(=C/c3cc(Br)c(Sc4ccccc4)o3)C(=O)NC2=S)cc1 ZINC000408997155 1071614440 /nfs/dbraw/zinc/61/44/40/1071614440.db2.gz LGLWUMFUZPZTPX-XDHOZWIPSA-N 0 1 527.465 6.148 40 10 KKCBMN CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4)C3=O)c2-c2ccccc2)cc1 ZINC000408744561 1071615860 /nfs/dbraw/zinc/61/58/60/1071615860.db2.gz YNKBQOOGWSXJJE-DFKUXCBWSA-N 0 1 583.713 7.350 40 10 KKCBMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(Br)c1 ZINC000408743713 1071617246 /nfs/dbraw/zinc/61/72/46/1071617246.db2.gz XPMNMHUIBAJAMP-XDHOZWIPSA-N 0 1 527.827 5.513 40 10 KKCBMN Cc1cc(Br)ccc1N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)NC1=S ZINC000408743367 1071618325 /nfs/dbraw/zinc/61/83/25/1071618325.db2.gz WACMCZHXZYRYRG-YBEGLDIGSA-N 0 1 536.234 6.156 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408996056 1071620083 /nfs/dbraw/zinc/62/00/83/1071620083.db2.gz NVWSYEIWRSEVCG-CXUHLZMHSA-N 0 1 764.117 8.008 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408740924 1071627271 /nfs/dbraw/zinc/62/72/71/1071627271.db2.gz JDXSADKIIIRVKO-MHWRWJLKSA-N 0 1 532.759 5.102 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408741183 1071627280 /nfs/dbraw/zinc/62/72/80/1071627280.db2.gz KLPIJZLGFBFABD-QRVIBDJDSA-N 0 1 666.391 7.092 40 10 KKCBMN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)NC1=S ZINC000408741644 1071623860 /nfs/dbraw/zinc/62/38/60/1071623860.db2.gz MVGMSDSIIKFZMY-FYJGNVAPSA-N 0 1 552.406 5.076 40 10 KKCBMN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)NC1=S ZINC000408741050 1071627873 /nfs/dbraw/zinc/62/78/73/1071627873.db2.gz JRWAOFHVOLXMGE-MHWRWJLKSA-N 0 1 546.786 5.410 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408741551 1071625021 /nfs/dbraw/zinc/62/50/21/1071625021.db2.gz JMTOHXRQEUVSRU-WGOQTCKBSA-N 0 1 589.098 6.638 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1 ZINC000408741557 1071625148 /nfs/dbraw/zinc/62/51/48/1071625148.db2.gz MSZOHFYCKZAVFC-VXLYETTFSA-N 0 1 651.174 6.384 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000408740888 1071628468 /nfs/dbraw/zinc/62/84/68/1071628468.db2.gz IXWOOUYORPDJDP-BKUYFWCQSA-N 0 1 555.441 5.147 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000408740458 1071630732 /nfs/dbraw/zinc/63/07/32/1071630732.db2.gz GEKLOONKSRYAOI-YBFXNURJSA-N 0 1 604.853 5.364 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409001450 1071644943 /nfs/dbraw/zinc/64/49/43/1071644943.db2.gz VWIDOLLGINGPIG-MDWZMJQESA-N 0 1 740.084 8.244 40 10 KKCBMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)c(Sc2ccccc2)o1 ZINC000408999796 1071652143 /nfs/dbraw/zinc/65/21/43/1071652143.db2.gz VVQQMXLYPRRPJC-MHWRWJLKSA-N 0 1 564.280 5.787 40 10 KKCBMN O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000409021309 1071723611 /nfs/dbraw/zinc/72/36/11/1071723611.db2.gz AVIOGCGJZTWFMH-CXUHLZMHSA-N 0 1 537.819 5.817 40 10 KKCBMN CCOc1ccc(N2C(=O)/C(=C/c3cn(CCSc4ccc(Cl)cc4)c4ccccc34)C(=O)NC2=S)cc1 ZINC000408776025 1071751967 /nfs/dbraw/zinc/75/19/67/1071751967.db2.gz MJWLIFAJOPEUFT-KOEQRZSOSA-N 0 1 562.116 6.317 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1cn(CCSc2ccc(Cl)cc2)c2ccccc12 ZINC000408774692 1071759530 /nfs/dbraw/zinc/75/95/30/1071759530.db2.gz XDHDESZCTMUCPL-XQNSMLJCSA-N 0 1 518.063 5.918 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408774628 1071760507 /nfs/dbraw/zinc/76/05/07/1071760507.db2.gz XJBRWAVSEWHFRI-HZHRSRAPSA-N 0 1 550.522 6.294 40 10 KKCBMN CCOc1ccc(N2C(=O)/C(=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Cl)c3)C(=O)NC2=S)cc1 ZINC000408772652 1071772278 /nfs/dbraw/zinc/77/22/78/1071772278.db2.gz QCKQCEMWQWAMJQ-WOJGMQOQSA-N 0 1 591.951 6.289 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408787211 1071845249 /nfs/dbraw/zinc/84/52/49/1071845249.db2.gz UWPAHMJXJONYQV-OEAKJJBVSA-N 0 1 536.495 5.985 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(Sc2nc3ccccc3[nH]2)o1 ZINC000408782872 1071874365 /nfs/dbraw/zinc/87/43/65/1071874365.db2.gz KEUDVJDQWJZIMX-ZRDIBKRKSA-N 0 1 515.403 5.445 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(OCc5ccc(Br)cc5)cc4)c3C)C(=O)NC2=S)cc1 ZINC000408788432 1071898941 /nfs/dbraw/zinc/89/89/41/1071898941.db2.gz FMKUPDYQFAAGMQ-OGLMXYFKSA-N 0 1 616.537 6.276 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3c(OCc4ccc(Cl)cc4)ccc4ccccc43)C(=O)NC2=S)cc1C ZINC000408806665 1071903325 /nfs/dbraw/zinc/90/33/25/1071903325.db2.gz AUHWVCMBMOPSTK-WGOQTCKBSA-N 0 1 527.045 6.520 40 10 KKCBMN Cc1c(Cl)cccc1N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)NC1=S ZINC000409096845 1072232406 /nfs/dbraw/zinc/23/24/06/1072232406.db2.gz LHUYRLVRYXBSGQ-UVTDQMKNSA-N 0 1 502.335 5.301 40 10 KKCBMN CC[C@@H](C)Oc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1OC ZINC000409091910 1072266110 /nfs/dbraw/zinc/26/61/10/1072266110.db2.gz VQCOUUBFYJCTSS-KMHUVPDISA-N 0 1 537.863 5.428 40 10 KKCBMN Cc1ccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4C)C3=O)c3ccccc32)cc1 ZINC000409101277 1072315401 /nfs/dbraw/zinc/31/54/01/1072315401.db2.gz AXEAZHJDYPEOPP-HYARGMPZSA-N 0 1 500.023 5.791 40 10 KKCBMN Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)NC1=S ZINC000409099068 1072327200 /nfs/dbraw/zinc/32/72/00/1072327200.db2.gz PWXUBEGNAJEDQY-DEDYPNTBSA-N 0 1 520.441 6.136 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(OCc5ccc(Br)cc5)cc4)c3C)C(=O)NC2=S)c(OC)c1 ZINC000409097398 1072338363 /nfs/dbraw/zinc/33/83/63/1072338363.db2.gz NECPMKYURKXHPG-JVWAILMASA-N 0 1 646.563 6.284 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccccc4)c3-c3ccccc3)C(=O)NC2=S)c(OC)c1 ZINC000409107973 1072410023 /nfs/dbraw/zinc/41/00/23/1072410023.db2.gz UQLTVSLZHVPELD-RRAHZORUSA-N 0 1 585.685 6.660 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000409107427 1072414228 /nfs/dbraw/zinc/41/42/28/1072414228.db2.gz PNYBSSHCBJGROV-HZHRSRAPSA-N 0 1 500.023 6.040 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccccc1Br ZINC000409127277 1072447155 /nfs/dbraw/zinc/44/71/55/1072447155.db2.gz QLDJKDQCRRJICI-CPNJWEJPSA-N 0 1 508.441 5.305 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1OC ZINC000409125764 1072458483 /nfs/dbraw/zinc/45/84/83/1072458483.db2.gz KIGPKTXHQDJQDJ-WSDLNYQXSA-N 0 1 654.470 5.404 40 10 KKCBMN O=C(NN1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)SC1=S)c1cccs1 ZINC000409340261 1072467447 /nfs/dbraw/zinc/46/74/47/1072467447.db2.gz SYFZOHVKVRUSQR-VXLYETTFSA-N 0 1 521.472 6.180 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OS(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1OC ZINC000409123955 1072469724 /nfs/dbraw/zinc/46/97/24/1072469724.db2.gz GDISOBORNGAGEO-PXLXIMEGSA-N 0 1 619.479 5.221 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4ccc(Cl)cc4Cl)c(OCC)c3)C2=O)cc1OC ZINC000409127327 1072472521 /nfs/dbraw/zinc/47/25/21/1072472521.db2.gz QPMVABZGSSJFED-SSDVNMTOSA-N 0 1 739.390 7.035 40 10 KKCBMN Cc1cccc(N2C(=O)/C(=C/c3cn(CC(=O)Nc4ccc(Cl)cc4)c4ccccc34)C(=O)NC2=S)c1C ZINC000409136956 1072475272 /nfs/dbraw/zinc/47/52/72/1072475272.db2.gz ZFWIUQJBECZTCB-OEAKJJBVSA-N 0 1 543.048 5.382 40 10 KKCBMN COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409338860 1072481394 /nfs/dbraw/zinc/48/13/94/1072481394.db2.gz PQODJPCLVSFEFI-YBFXNURJSA-N 0 1 595.949 6.298 40 10 KKCBMN O=C(NN1C(=O)/C(=C\c2cc(Br)c(OCc3ccccc3F)c(Br)c2)SC1=S)c1cccs1 ZINC000409338755 1072483055 /nfs/dbraw/zinc/48/30/55/1072483055.db2.gz AGTLVZQSYABHMM-VCHYOVAHSA-N 0 1 628.364 6.537 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccc(C)cc4)c(Br)c3)C2=O)cc1OC ZINC000409132873 1072502541 /nfs/dbraw/zinc/50/25/41/1072502541.db2.gz MBAHDADVAJLBFP-WSDLNYQXSA-N 0 1 672.370 6.558 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccccc4Cl)c(OCC)c3)C2=O)cc1OC ZINC000409130536 1072514767 /nfs/dbraw/zinc/51/47/67/1072514767.db2.gz WGOAGOFRANYWGR-LPYMAVHISA-N 0 1 613.494 6.431 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4ccccc4)c(OC)c3)C2=O)cc1OC ZINC000409127520 1072530187 /nfs/dbraw/zinc/53/01/87/1072530187.db2.gz NJVJXSUCEZLQMY-LPYMAVHISA-N 0 1 656.473 5.338 40 10 KKCBMN O=C(NN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)SC1=S)c1cccs1 ZINC000409352196 1072530400 /nfs/dbraw/zinc/53/04/00/1072530400.db2.gz WVHMKUXRVQKHDD-YBFXNURJSA-N 0 1 565.923 6.289 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(Cl)c4)c(OCC)c3)C2=O)cc1OC ZINC000409127579 1072530704 /nfs/dbraw/zinc/53/07/04/1072530704.db2.gz OBWFNSSACRRVGY-BUVRLJJBSA-N 0 1 579.049 5.777 40 10 KKCBMN COc1cccc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)c1OCc1ccc(Cl)cc1Cl ZINC000409349215 1072551145 /nfs/dbraw/zinc/55/11/45/1072551145.db2.gz UXVLIJUUBYUPOD-VXLYETTFSA-N 0 1 551.498 6.189 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4Cl)c(OCC)c3)C2=O)cc1OC ZINC000409140341 1072560631 /nfs/dbraw/zinc/56/06/31/1072560631.db2.gz DALYOXSQANJKLS-HZHRSRAPSA-N 0 1 579.049 5.777 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(F)cc3)C2=O)cc1OC ZINC000409139105 1072566694 /nfs/dbraw/zinc/56/66/94/1072566694.db2.gz MOMPNPHZCKYZTO-HZHRSRAPSA-N 0 1 552.986 5.518 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OS(=O)(=O)c4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409138983 1072567615 /nfs/dbraw/zinc/56/76/15/1072567615.db2.gz KTDIRVAGOBSBLG-LPYMAVHISA-N 0 1 707.983 5.728 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1OC ZINC000409145743 1072586031 /nfs/dbraw/zinc/58/60/31/1072586031.db2.gz RIVHUXVLEAIQSS-HZHRSRAPSA-N 0 1 534.996 5.378 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409376648 1072627993 /nfs/dbraw/zinc/62/79/93/1072627993.db2.gz CEWRCDJRYJTDJZ-OEAKJJBVSA-N 0 1 622.541 5.567 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCc1cccc(C)c1 ZINC000409375069 1072633921 /nfs/dbraw/zinc/63/39/21/1072633921.db2.gz FDESHRHWJWBDDL-OEAKJJBVSA-N 0 1 579.516 6.129 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409374005 1072639827 /nfs/dbraw/zinc/63/98/27/1072639827.db2.gz XNTFTSNJKPFRPC-CVKSISIWSA-N 0 1 529.980 5.582 40 10 KKCBMN O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2cc(I)c(O)c(I)c2)SC1=S ZINC000409369376 1072659162 /nfs/dbraw/zinc/65/91/62/1072659162.db2.gz LKDVKMHTQHRNDP-WLRTZDKTSA-N 0 1 692.125 5.846 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCc4ccc(C)cc4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409379284 1072671104 /nfs/dbraw/zinc/67/11/04/1072671104.db2.gz WOCILEWKXXYBGA-LPYMAVHISA-N 0 1 521.038 5.630 40 10 KKCBMN CC[C@H](C)Oc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc1OC ZINC000409378959 1072672021 /nfs/dbraw/zinc/67/20/21/1072672021.db2.gz SVFQZHSPTSYNIQ-WFSQQTBHSA-N 0 1 537.863 5.428 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000409378013 1072678501 /nfs/dbraw/zinc/67/85/01/1072678501.db2.gz MNUPPCGZJQJZJZ-OEAKJJBVSA-N 0 1 579.516 6.129 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cn(Cc4cccc5ccccc54)c4ccccc34)C(=O)NC2=S)cc1 ZINC000409384225 1072699808 /nfs/dbraw/zinc/69/98/08/1072699808.db2.gz CIEIIYCWNLOHCF-MTDXEUNCSA-N 0 1 515.638 6.237 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccc(C)cc4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409382962 1072704657 /nfs/dbraw/zinc/70/46/57/1072704657.db2.gz YXMBHOOOMNRIEQ-LPYMAVHISA-N 0 1 565.489 5.739 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccc(Br)cc4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409382810 1072705602 /nfs/dbraw/zinc/70/56/02/1072705602.db2.gz RFEMVQRMVLDQFT-CIAFOILYSA-N 0 1 630.358 6.193 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccc5ccccc5c4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409381483 1072711430 /nfs/dbraw/zinc/71/14/30/1072711430.db2.gz UPJYXEUIIXTIRY-MFKUBSTISA-N 0 1 601.522 6.584 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccc(Cl)cc3)C(=O)NC2=S)cc1 ZINC000409381350 1072712213 /nfs/dbraw/zinc/71/22/13/1072712213.db2.gz FNEMXOZXLCVZNI-HYARGMPZSA-N 0 1 555.881 6.075 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)cc4)c(Cl)c3)C(=O)NC2=S)cc1 ZINC000409381244 1072713670 /nfs/dbraw/zinc/71/36/70/1072713670.db2.gz FSFQQBKBPMDWOG-HYARGMPZSA-N 0 1 534.037 5.060 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000409380865 1072715045 /nfs/dbraw/zinc/71/50/45/1072715045.db2.gz BJOYZJUXNRVOAX-HZHRSRAPSA-N 0 1 612.489 5.663 40 10 KKCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)cc([N+](=O)[O-])c1OCc1cccc2ccccc21 ZINC000409399778 1072748271 /nfs/dbraw/zinc/74/82/71/1072748271.db2.gz MFGYWWHZWKHYQO-UCQKPKSFSA-N 0 1 544.361 5.551 40 10 KKCBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409406469 1072758345 /nfs/dbraw/zinc/75/83/45/1072758345.db2.gz KAORLZDVGHKBCL-MFOYZWKCSA-N 0 1 548.220 5.805 40 10 KKCBMN Cc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Br)cc4Br)cc3)C(=O)NC2=S)c1 ZINC000409186736 1072761741 /nfs/dbraw/zinc/76/17/41/1072761741.db2.gz HEPTYVZNOAHBSM-CIAFOILYSA-N 0 1 586.305 5.930 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCc1cccc(C)c1 ZINC000409404609 1072766120 /nfs/dbraw/zinc/76/61/20/1072766120.db2.gz DYICPIINMQJNJT-BKUYFWCQSA-N 0 1 554.384 5.039 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000409403719 1072770215 /nfs/dbraw/zinc/77/02/15/1072770215.db2.gz ATEKSXABFBHOBK-NDENLUEZSA-N 0 1 572.253 5.651 40 10 KKCBMN COc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc(Br)cc1Br ZINC000409409506 1072809901 /nfs/dbraw/zinc/80/99/01/1072809901.db2.gz VVAMDFFIKPHAAP-XDHOZWIPSA-N 0 1 558.226 5.261 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCc1ccc(C)cc1 ZINC000409408362 1072816399 /nfs/dbraw/zinc/81/63/99/1072816399.db2.gz QABFOYRQCQERKQ-BKUYFWCQSA-N 0 1 507.384 5.197 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCc1ccc(Br)cc1Br ZINC000409407576 1072820242 /nfs/dbraw/zinc/82/02/42/1072820242.db2.gz MUCYETRLOLXZHE-GRSHGNNSSA-N 0 1 651.149 6.413 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3c(OCC)ccc4ccccc43)C2=O)cc1OCC ZINC000409192380 1072825826 /nfs/dbraw/zinc/82/58/26/1072825826.db2.gz BXBFVCUYSALZTP-HAVVHWLPSA-N 0 1 502.567 5.088 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccccc3OCc3cccc(F)c3)C2=O)cc1OCC ZINC000409195492 1072836840 /nfs/dbraw/zinc/83/68/40/1072836840.db2.gz PZGOITLCGXLRRH-JJIBRWJFSA-N 0 1 532.568 5.254 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc1OCC ZINC000409195132 1072838148 /nfs/dbraw/zinc/83/81/48/1072838148.db2.gz RLQGHNRPJCOWIF-ZVHZXABRSA-N 0 1 583.468 6.422 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409194541 1072841593 /nfs/dbraw/zinc/84/15/93/1072841593.db2.gz OXEHHMQNWBOKHQ-PCLIKHOPSA-N 0 1 603.628 5.422 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(Br)c3)C2=O)cc1OCC ZINC000409194229 1072846009 /nfs/dbraw/zinc/84/60/09/1072846009.db2.gz PJVUBLJXZBSSQJ-UFFVCSGVSA-N 0 1 741.260 7.947 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Br)cc(Br)c3OCc3ccc(F)cc3)C2=O)cc1OCC ZINC000409193811 1072846994 /nfs/dbraw/zinc/84/69/94/1072846994.db2.gz MTKLJCVYGALYKA-OEAKJJBVSA-N 0 1 690.360 6.779 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(Br)cc3)C2=O)cc1OCC ZINC000409193757 1072848922 /nfs/dbraw/zinc/84/89/22/1072848922.db2.gz LLRKRJFZLSKSOM-LFVJCYFKSA-N 0 1 627.919 6.531 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Br)cc4)c(Br)c3)C2=O)cc1OCC ZINC000409192764 1072854658 /nfs/dbraw/zinc/85/46/58/1072854658.db2.gz ASKZKOADHQGZDY-OEAKJJBVSA-N 0 1 672.370 6.640 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccccc3OCc3cccc(Cl)c3)C2=O)cc1OCC ZINC000409192206 1072855508 /nfs/dbraw/zinc/85/55/08/1072855508.db2.gz BJMKGQINNMCNRI-JJIBRWJFSA-N 0 1 549.023 5.769 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1OCC ZINC000409191769 1072859095 /nfs/dbraw/zinc/85/90/95/1072859095.db2.gz MUVMYAGLBDOAOE-YDZHTSKRSA-N 0 1 613.494 6.431 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Cl)cc(Cl)c3OCc3cccc(Cl)c3)C2=O)cc1OCC ZINC000409191303 1072864072 /nfs/dbraw/zinc/86/40/72/1072864072.db2.gz UYVXSHAXBLBCFG-OEAKJJBVSA-N 0 1 617.913 7.075 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccccc4Cl)c(OC)c3)C2=O)cc1OCC ZINC000409191083 1072864542 /nfs/dbraw/zinc/86/45/42/1072864542.db2.gz ZOEIVDBBJAQRQF-LPYMAVHISA-N 0 1 613.494 6.431 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccccc4F)c(Cl)c3)C2=O)cc1OCC ZINC000409190928 1072865903 /nfs/dbraw/zinc/86/59/03/1072865903.db2.gz BNRXZAQGDKHNMC-CIAFOILYSA-N 0 1 601.458 6.561 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4F)cc3)C2=O)cc1OCC ZINC000409190908 1072866014 /nfs/dbraw/zinc/86/60/14/1072866014.db2.gz BEOFDFAFHYRMQJ-LFVJCYFKSA-N 0 1 532.568 5.254 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccccc4)c(OC)c3)C2=O)cc1OCC ZINC000409190935 1072866362 /nfs/dbraw/zinc/86/63/62/1072866362.db2.gz BUDRNJXBEYRUBB-OEAKJJBVSA-N 0 1 623.500 5.886 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(C)cc3)C2=O)cc1OCC ZINC000409190933 1072866567 /nfs/dbraw/zinc/86/65/67/1072866567.db2.gz BSWXOCRSYIHPKT-KOEQRZSOSA-N 0 1 563.050 6.077 40 10 KKCBMN CCCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(Cc2ccc(OCCC)c(OCC)c2)C1=O ZINC000409190209 1072871469 /nfs/dbraw/zinc/87/14/69/1072871469.db2.gz PWGGHQDJEBPZTD-HMMYKYKNSA-N 0 1 545.430 5.087 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1OCC ZINC000409189579 1072875017 /nfs/dbraw/zinc/87/50/17/1072875017.db2.gz QSNRUWXWYTYEKN-BUVRLJJBSA-N 0 1 589.601 5.032 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409188610 1072881461 /nfs/dbraw/zinc/88/14/61/1072881461.db2.gz FMRKIMHDHPAWLU-ZVHZXABRSA-N 0 1 729.524 6.027 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(F)cc3)C2=O)cc1OCC ZINC000409188300 1072882487 /nfs/dbraw/zinc/88/24/87/1072882487.db2.gz FZCRKISBOWGWNG-LFVJCYFKSA-N 0 1 567.013 5.908 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccc(Cl)cc4Cl)c3)C2=O)cc1OCC ZINC000409188448 1072882690 /nfs/dbraw/zinc/88/26/90/1072882690.db2.gz HPGCFWLRWXWAIH-OYKKKHCWSA-N 0 1 583.468 6.422 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Br)cc4Br)cc3)C(=O)NC2=S)c(C)c1 ZINC000409187938 1072885383 /nfs/dbraw/zinc/88/53/83/1072885383.db2.gz VVNNVKUYIAJDOU-CIAFOILYSA-N 0 1 600.332 6.239 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4cccc(F)c4)c(OC)c3)C2=O)cc1OCC ZINC000409187668 1072886242 /nfs/dbraw/zinc/88/62/42/1072886242.db2.gz AMCVGZBRRFZNMQ-YDZHTSKRSA-N 0 1 688.490 5.867 40 10 KKCBMN COC(=O)c1c(C)c(C)sc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c1C ZINC000409201846 1072915379 /nfs/dbraw/zinc/91/53/79/1072915379.db2.gz QKRNOVNCEFNHIW-CIAFOILYSA-N 0 1 521.664 5.007 40 10 KKCBMN O=C(Cn1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c2ccccc21)Nc1ccc(Cl)cc1 ZINC000409225213 1072979305 /nfs/dbraw/zinc/97/93/05/1072979305.db2.gz JXIKGNINTNVFTF-WSDLNYQXSA-N 0 1 582.991 5.784 40 10 KKCBMN Cc1cccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c3ccccc32)c1 ZINC000409221504 1072999202 /nfs/dbraw/zinc/99/92/02/1072999202.db2.gz REJDAKWMSSIEHG-YDZHTSKRSA-N 0 1 519.548 5.848 40 10 KKCBMN CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1Br ZINC000409220753 1073003481 /nfs/dbraw/zinc/00/34/81/1073003481.db2.gz FIDDKDWFZBKLHI-BPKVKKHESA-N 0 1 507.837 5.420 40 10 KKCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cn(Cc2cccc3ccccc32)c2ccccc12 ZINC000409228265 1073027629 /nfs/dbraw/zinc/02/76/29/1073027629.db2.gz WNSUAXWYGFPBPY-CVKSISIWSA-N 0 1 555.581 6.693 40 10 KKCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 ZINC000409237158 1073034599 /nfs/dbraw/zinc/03/45/99/1073034599.db2.gz JSGYEUYITPNVFM-VEILYXNESA-N 0 1 638.627 7.570 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc(Cl)cc4)c3-c3ccccc3)C(=O)NC2=S)cc1Cl ZINC000409235701 1073043848 /nfs/dbraw/zinc/04/38/48/1073043848.db2.gz PVORQHZRPCQGBF-VEILYXNESA-N 0 1 608.550 8.258 40 10 KKCBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3cn(Cc4cccc5ccccc54)c4ccccc34)C(=O)NC2=S)c1 ZINC000409234788 1073048347 /nfs/dbraw/zinc/04/83/47/1073048347.db2.gz MMJBFNKFEKMRDZ-WPWMEQJKSA-N 0 1 515.638 6.291 40 10 KKCBMN CC(C)c1ccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4Cl)c4ccccc34)C(=O)NC2=S)cc1 ZINC000409233685 1073053788 /nfs/dbraw/zinc/05/37/88/1073053788.db2.gz HIMJTJMVFTVYSL-BUVRLJJBSA-N 0 1 514.050 6.298 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(Br)cc1F ZINC000409230708 1073068812 /nfs/dbraw/zinc/06/88/12/1073068812.db2.gz FOMLQEJTIKJVQO-GIJQJNRQSA-N 0 1 566.374 5.846 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1 ZINC000409230264 1073071456 /nfs/dbraw/zinc/07/14/56/1073071456.db2.gz BRFQMZQCBVGDKD-NDZAJKAJSA-N 0 1 549.696 6.628 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000409245682 1073082036 /nfs/dbraw/zinc/08/20/36/1073082036.db2.gz XMELSCLONWKFQF-JAIQZWGSSA-N 0 1 575.859 5.492 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000409245584 1073083114 /nfs/dbraw/zinc/08/31/14/1073083114.db2.gz WDGXNCIYWXHGEV-LICLKQGHSA-N 0 1 538.378 6.251 40 10 KKCBMN O=C(Cn1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c2ccccc21)Nc1ccccc1 ZINC000409245197 1073084585 /nfs/dbraw/zinc/08/45/85/1073084585.db2.gz OVWUPJURKYHRKX-LPYMAVHISA-N 0 1 548.546 5.130 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc(Br)c1OC(C)C ZINC000409244822 1073086975 /nfs/dbraw/zinc/08/69/75/1073086975.db2.gz JDYNMTBNYVRAIO-VCHYOVAHSA-N 0 1 517.445 5.200 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1cn(Cc2cccc3ccccc32)c2ccccc12 ZINC000409243893 1073090602 /nfs/dbraw/zinc/09/06/02/1073090602.db2.gz YSDTYFCIWDKPII-LFVJCYFKSA-N 0 1 522.029 6.328 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000409243559 1073092510 /nfs/dbraw/zinc/09/25/10/1073092510.db2.gz SMVZKNFCRDLIOE-PCLIKHOPSA-N 0 1 648.732 7.137 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C(=O)NC2=S)cc1Cl ZINC000409240472 1073108352 /nfs/dbraw/zinc/10/83/52/1073108352.db2.gz PYUZSIBMAIEWBQ-GDNBJRDFSA-N 0 1 502.335 5.301 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C(=O)NC2=S)cc1Cl ZINC000409239022 1073116906 /nfs/dbraw/zinc/11/69/06/1073116906.db2.gz YQMMDZIOXCJHCB-WSDLNYQXSA-N 0 1 530.993 5.391 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C(=O)NC2=S)cc1Cl ZINC000409238291 1073121289 /nfs/dbraw/zinc/12/12/89/1073121289.db2.gz MNWIPLMKKMBZSA-YBEGLDIGSA-N 0 1 546.786 5.410 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409237551 1073126451 /nfs/dbraw/zinc/12/64/51/1073126451.db2.gz XJGJENAUTDOPPC-NVMNQCDNSA-N 0 1 518.853 6.194 40 10 KKCBMN CC(C)c1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc(Cl)cc4)c3-c3ccccc3)C(=O)NC2=S)cc1 ZINC000409237586 1073126529 /nfs/dbraw/zinc/12/65/29/1073126529.db2.gz ADCUCWMALCXNMB-YQYKVWLJSA-N 0 1 602.159 8.419 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1cccc(Br)c1 ZINC000409237438 1073127733 /nfs/dbraw/zinc/12/77/33/1073127733.db2.gz UNRUHANGQMGMNW-CIAFOILYSA-N 0 1 508.441 5.305 40 10 KKCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1 ZINC000409250578 1073135436 /nfs/dbraw/zinc/13/54/36/1073135436.db2.gz RDEVYLCEWNLZOF-XNTDXEJSSA-N 0 1 555.759 6.213 40 10 KKCBMN Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2Cl)cc1Cl ZINC000409265537 1073206441 /nfs/dbraw/zinc/20/64/41/1073206441.db2.gz VKTNLPXWNVAMDG-NVMNQCDNSA-N 0 1 574.873 5.804 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409261960 1073225016 /nfs/dbraw/zinc/22/50/16/1073225016.db2.gz FQKNTXHDGLMXJQ-JAIQZWGSSA-N 0 1 675.932 5.501 40 10 KKCBMN O=C(COc1c(Br)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Br)Nc1ccccc1Cl ZINC000409258459 1073246372 /nfs/dbraw/zinc/24/63/72/1073246372.db2.gz VBNKIZIZBOTELR-YBEGLDIGSA-N 0 1 649.748 5.714 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1cccc(Br)c1 ZINC000409231390 195506984 /nfs/dbraw/zinc/50/69/84/195506984.db2.gz CTXVPLLFQDBJPX-YDZHTSKRSA-N 0 1 522.468 5.811 40 10 KKCBMN C[C@@]12C[C@@H](CC(C)(C)C1)[N@@H+](Cc1c([O-])ccc3cc(-c4nc(-c5ccc(Br)cc5)cs4)c(=O)oc31)C2 ZINC000001799146 551703295 /nfs/dbraw/zinc/70/32/95/551703295.db2.gz FLSPKZMMXYJVNO-ACSYHNTCSA-N 0 1 565.533 7.452 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000008695562 553122229 /nfs/dbraw/zinc/12/22/29/553122229.db2.gz KTTMMQKIDDOMPA-WPWMEQJKSA-N 0 1 568.680 6.293 40 10 KKCBMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCCCC4)cc3)ccc2Cl)cc1C ZINC000013675203 553482636 /nfs/dbraw/zinc/48/26/36/553482636.db2.gz NYVMJLBAYPYPPX-UHFFFAOYSA-N 0 1 512.075 5.678 40 10 KKCBMN CN(C)c1ccc([C@@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000020192096 553605853 /nfs/dbraw/zinc/60/58/53/553605853.db2.gz VGWCVOKFLCZQPG-HKBQPEDESA-N 0 1 513.770 6.960 40 10 KKCBMN COc1ccc(Oc2ccc(-n3c(C)cc(C=C4C(=O)NC(=O)N(Cc5ccco5)C4=O)c3C)cc2)cc1 ZINC000083294191 553676694 /nfs/dbraw/zinc/67/66/94/553676694.db2.gz WCHLIFXAJKFNNV-WGOQTCKBSA-N 0 1 511.534 5.990 40 10 KKCBMN Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)c(C(C)C)c(S(=O)(=O)c2ccc(Cl)cc2)c1[O-] ZINC000026786852 553821314 /nfs/dbraw/zinc/82/13/14/553821314.db2.gz HISGFSLQJMIRPZ-UHFFFAOYSA-N 0 1 514.452 5.764 40 10 KKCBMN COc1cc(C=C2C(=O)NC(=O)N([C@H](C)c3ccccc3)C2=O)ccc1OCCOc1ccc(C)cc1 ZINC000041108826 554295573 /nfs/dbraw/zinc/29/55/73/554295573.db2.gz HWTVKVGTJSNBQB-JJWXFRNXSA-N 0 1 500.551 5.525 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000100321032 554305440 /nfs/dbraw/zinc/30/54/40/554305440.db2.gz NNLVCGJYUIOOBR-ODLFYWEKSA-N 0 1 557.853 5.521 40 10 KKCBMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000100394105 554368297 /nfs/dbraw/zinc/36/82/97/554368297.db2.gz WVQSAGCEWXQEDQ-RGVLZGJSSA-N 0 1 562.272 6.166 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000059136051 554382026 /nfs/dbraw/zinc/38/20/26/554382026.db2.gz AKALPSKDIUEWNX-MHWRWJLKSA-N 0 1 501.366 6.383 40 10 KKCBMN COC(=O)c1ccc(Cl)c(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)c2C)c1 ZINC000059136214 554382380 /nfs/dbraw/zinc/38/23/80/554382380.db2.gz UIZLGJZBZDUMOQ-GZTJUZNOSA-N 0 1 511.962 5.345 40 10 KKCBMN COc1ccc2c(c1)C=C[C@H]1N2[C@@H](C(=O)C(C)(C)C)[C@@H](C(=O)c2ccc(CC(C)C)cc2)[C@]12c1ccccc1NC2=O ZINC000103541267 555438301 /nfs/dbraw/zinc/43/83/01/555438301.db2.gz CGJABXVVKWJQAL-RKVFUFCESA-N 0 1 562.710 6.482 40 10 KKCBMN COc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C(C)(C)C)C(=C(O)c2ccc3c(c2)OCO3)[C@]12C(=O)Nc1ccccc12 ZINC000103545067 555440015 /nfs/dbraw/zinc/44/00/15/555440015.db2.gz VJWPAUHYKSNSLW-LUYUGSQRSA-N 0 1 550.611 5.012 40 10 KKCBMN Cc1cccc(COc2c(Cl)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)cc2Br)c1 ZINC000103851673 571364965 /nfs/dbraw/zinc/36/49/65/571364965.db2.gz VUNVMZNQOCLEJO-LICLKQGHSA-N 0 1 559.844 5.960 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(OCc2ccccc2F)c(Br)c1 ZINC000103851522 571364979 /nfs/dbraw/zinc/36/49/79/571364979.db2.gz PKMOKPJQCJUVEW-LFIBNONCSA-N 0 1 529.362 5.138 40 10 KKCBMN Cc1ccc(COc2c(Cl)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)cc2Br)cc1 ZINC000103851668 571364997 /nfs/dbraw/zinc/36/49/97/571364997.db2.gz IUAITPSALDSHDD-LICLKQGHSA-N 0 1 559.844 5.960 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)c(I)c1 ZINC000103851874 571365111 /nfs/dbraw/zinc/36/51/11/571365111.db2.gz FUMCUZNYQQQAHZ-LFIBNONCSA-N 0 1 592.817 5.494 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000103852545 571365510 /nfs/dbraw/zinc/36/55/10/571365510.db2.gz XWRQEQRUTGVIMK-XDHOZWIPSA-N 0 1 525.001 5.597 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(Br)cc1OCc1ccccc1F ZINC000103852754 571365616 /nfs/dbraw/zinc/36/56/16/571365616.db2.gz IRYFQIJXMLRDHV-GZTJUZNOSA-N 0 1 573.415 5.536 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(Br)cc1OCc1cccc(C)c1 ZINC000103852776 571365654 /nfs/dbraw/zinc/36/56/54/571365654.db2.gz RTXVUSYEZOUUCP-XDHOZWIPSA-N 0 1 569.452 5.706 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(Br)cc1OCc1cccc2ccccc21 ZINC000103852805 571365672 /nfs/dbraw/zinc/36/56/72/571365672.db2.gz XYNRGWMTDPKONZ-HYARGMPZSA-N 0 1 605.485 6.550 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000103853238 571365737 /nfs/dbraw/zinc/36/57/37/571365737.db2.gz TXSLUMKWNQJSFZ-LDADJPATSA-N 0 1 545.817 5.652 40 10 KKCBMN Cc1ccc(COc2ccc(Br)cc2/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1 ZINC000103853290 571365749 /nfs/dbraw/zinc/36/57/49/571365749.db2.gz PQPBVAHHUICNRX-CPNJWEJPSA-N 0 1 525.399 5.307 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1Cl ZINC000103853231 571365796 /nfs/dbraw/zinc/36/57/96/571365796.db2.gz YAYAHTFTUDBCOD-SFQUDFHCSA-N 0 1 545.817 5.652 40 10 KKCBMN CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000103919142 571369541 /nfs/dbraw/zinc/36/95/41/571369541.db2.gz XXUACMNLFRFYHI-ITYLOYPMSA-N 0 1 523.687 7.770 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N([C@@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000104096174 571373658 /nfs/dbraw/zinc/37/36/58/571373658.db2.gz GPLGNKOHHFDARS-GTWTZERXSA-N 0 1 573.646 5.639 40 10 KKCBMN COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N3)c1 ZINC000104649553 571382960 /nfs/dbraw/zinc/38/29/60/571382960.db2.gz ANUMVHUFKJGXOF-ANSQWYIGSA-N 0 1 542.013 5.893 40 10 KKCBMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(F)cccc1Cl)N2 ZINC000104650594 571383330 /nfs/dbraw/zinc/38/33/30/571383330.db2.gz ZZXLXNXFJSBDGI-QLODZENZSA-N 0 1 519.425 6.768 40 10 KKCBMN Cc1ccccc1OCCn1cc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)c2cc(Br)ccc21 ZINC000104882102 571387039 /nfs/dbraw/zinc/38/70/39/571387039.db2.gz AYCLPQURGAYADU-HZHRSRAPSA-N 0 1 550.453 5.586 40 10 KKCBMN Cc1ccc(OCCn2cc(/C=C3\C(=O)NC(=O)N(Cc4ccco4)C3=O)c3cc(Br)ccc32)cc1 ZINC000104881934 571387084 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ZINC000223489828 571485864 /nfs/dbraw/zinc/48/58/64/571485864.db2.gz UPGCJJQCAPQBHP-LDADJPATSA-N 0 1 514.478 6.235 40 10 KKCBMN CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223578237 571506431 /nfs/dbraw/zinc/50/64/31/571506431.db2.gz JZVQNQGCFVEEBZ-REIAIGDLSA-N 0 1 526.500 5.701 40 10 KKCBMN CCOc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@@H]4C)C(=O)NC2=S)cc1 ZINC000223609530 571513180 /nfs/dbraw/zinc/51/31/80/571513180.db2.gz YMXOVJTZRQCRSN-WWJLXRQJSA-N 0 1 505.684 5.726 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1 ZINC000164395134 571547022 /nfs/dbraw/zinc/54/70/22/571547022.db2.gz DNGWRGJNOCMGPH-CXUHLZMHSA-N 0 1 682.265 5.511 40 10 KKCBMN Cc1ccc(COc2c(I)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)cc2I)cc1 ZINC000164398469 571547196 /nfs/dbraw/zinc/54/71/96/571547196.db2.gz YRBUITKTVOUBJR-LICLKQGHSA-N 0 1 698.295 5.754 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000164406183 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/nfs/dbraw/zinc/18/02/99/572180299.db2.gz QJPATOVIZVKZCZ-JLPGSUDCSA-N 0 1 520.471 6.644 40 10 KKCBMN COc1cc(Br)ccc1N=Cc1c(C)[nH]n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1=O ZINC000408532581 572180303 /nfs/dbraw/zinc/18/03/03/572180303.db2.gz QJPATOVIZVKZCZ-JLPGSUDCSA-N 0 1 520.471 6.644 40 10 KKCBMN COc1cc(COc2c(Cl)cc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408539299 572201565 /nfs/dbraw/zinc/20/15/65/572201565.db2.gz GPPYEPJRXFDBSS-MYYYXRDXSA-N 0 1 615.107 6.347 40 10 KKCBMN COc1cc(COc2c(Cl)cc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2Cl)ccc1OCc1ccccc1 ZINC000408540354 572205341 /nfs/dbraw/zinc/20/53/41/572205341.db2.gz QPFLLLACNBBLIK-OYKKKHCWSA-N 0 1 619.526 6.991 40 10 KKCBMN CCCCCCOc1c(Br)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1OCC ZINC000408540630 572206457 /nfs/dbraw/zinc/20/64/57/572206457.db2.gz URNPQZPCFBIICO-RGEXLXHISA-N 0 1 531.472 5.638 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408541459 572209038 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1069920503 /nfs/dbraw/zinc/92/05/03/1069920503.db2.gz HRKRAORYQVDFBG-RCCKNPSSSA-N 0 1 547.702 5.215 40 10 KKCBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)C(=O)NC2=S)c1 ZINC000408817495 1069974677 /nfs/dbraw/zinc/97/46/77/1069974677.db2.gz XTEJKAWOUZKNOT-LPYMAVHISA-N 0 1 534.468 6.445 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408824114 1069990862 /nfs/dbraw/zinc/99/08/62/1069990862.db2.gz PMUKOFKFHRLZTO-SRZZPIQSSA-N 0 1 541.456 6.029 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)c(I)c1 ZINC000408843938 1070049727 /nfs/dbraw/zinc/04/97/27/1070049727.db2.gz HODAZPLFRAVCHY-MHWRWJLKSA-N 0 1 627.262 6.147 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000408848134 1070056924 /nfs/dbraw/zinc/05/69/24/1070056924.db2.gz PZAASKJXCZTNNK-AWNIVKPZSA-N 0 1 665.607 8.126 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1 ZINC000408852163 1070059139 /nfs/dbraw/zinc/05/91/39/1070059139.db2.gz CRWWXQJWRFLIIJ-MKMNVTDBSA-N 0 1 804.058 7.920 40 10 KKCBMN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)c2C)c1 ZINC000408850878 1070065138 /nfs/dbraw/zinc/06/51/38/1070065138.db2.gz FGAPJIOIWPVGKL-CPNJWEJPSA-N 0 1 542.444 5.409 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(I)c1OCc1ccccc1F ZINC000408851310 1070065577 /nfs/dbraw/zinc/06/55/77/1070065577.db2.gz BFLQNKCHRGGXGB-OQLLNIDSSA-N 0 1 657.288 6.156 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)c(Br)c1 ZINC000408856824 1070066915 /nfs/dbraw/zinc/06/69/15/1070066915.db2.gz LKQVDOFSBBWRBN-MHWRWJLKSA-N 0 1 580.262 6.305 40 10 KKCBMN Cc1c(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000408853720 1070071167 /nfs/dbraw/zinc/07/11/67/1070071167.db2.gz WZUFCYLNSRMHIH-DEDYPNTBSA-N 0 1 554.886 6.790 40 10 KKCBMN CCOC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1Cl ZINC000408858444 1070069973 /nfs/dbraw/zinc/06/99/73/1070069973.db2.gz ZCAYXVWYNXKBMI-IZZDOVSWSA-N 0 1 548.231 5.073 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000408856585 1070067257 /nfs/dbraw/zinc/06/72/57/1070067257.db2.gz KRIIKYHDGUZGKO-AWNIVKPZSA-N 0 1 710.058 8.236 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1 ZINC000408853766 1070071006 /nfs/dbraw/zinc/07/10/06/1070071006.db2.gz RLBSJRWGAXAQOZ-OVCLIPMQSA-N 0 1 614.707 6.959 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1 ZINC000408860075 1070076390 /nfs/dbraw/zinc/07/63/90/1070076390.db2.gz XWCGHXWEJBZOCB-OVCLIPMQSA-N 0 1 814.064 7.375 40 10 KKCBMN CCOc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1Br ZINC000408860247 1070077049 /nfs/dbraw/zinc/07/70/49/1070077049.db2.gz ZGAMIVSXOFANSP-UXBLZVDNSA-N 0 1 579.097 5.748 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Br)cc2)c(Br)c1 ZINC000408869664 1070092206 /nfs/dbraw/zinc/09/22/06/1070092206.db2.gz SSVBEYAVYFNFKN-UNOMPAQXSA-N 0 1 572.278 5.622 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1Cc1cc(C)cc(C)c1 ZINC000408871894 1070096647 /nfs/dbraw/zinc/09/66/47/1070096647.db2.gz ZCHNRJYPSXHYTB-XKZIYDEJSA-N 0 1 535.463 5.497 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000408873120 1070098495 /nfs/dbraw/zinc/09/84/95/1070098495.db2.gz NCNASFTXUJJQFH-NDENLUEZSA-N 0 1 527.429 5.802 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1Cc1ccccc1F ZINC000408876243 1070109479 /nfs/dbraw/zinc/10/94/79/1070109479.db2.gz ODIZIYHWXUXFPP-ODLFYWEKSA-N 0 1 525.399 5.019 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408893278 1070155239 /nfs/dbraw/zinc/15/52/39/1070155239.db2.gz DNPXVSSCUQCXOA-XKZIYDEJSA-N 0 1 521.038 5.766 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408916774 1070221676 /nfs/dbraw/zinc/22/16/76/1070221676.db2.gz HEXXPGMOUASXFH-BKUYFWCQSA-N 0 1 555.425 5.397 40 10 KKCBMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc21 ZINC000408918159 1070230740 /nfs/dbraw/zinc/23/07/40/1070230740.db2.gz GZSJLAMEISNQTP-IWIPYMOSSA-N 0 1 527.533 5.297 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000408967530 1070332594 /nfs/dbraw/zinc/33/25/94/1070332594.db2.gz TWLXTVWDJSOQEP-ZVHZXABRSA-N 0 1 578.040 6.436 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000408987120 1070349406 /nfs/dbraw/zinc/34/94/06/1070349406.db2.gz ALHMIVQMQDKFJQ-FOWTUZBSSA-N 0 1 518.601 5.187 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C/c3ccc(OCc4c(C)cc(C)cc4C)c(OC)c3)C(=O)NC2=S)cc1 ZINC000408986473 1070348403 /nfs/dbraw/zinc/34/84/03/1070348403.db2.gz CNLRFVGPBIRWTR-OEAKJJBVSA-N 0 1 516.619 5.039 40 10 KKCBMN CCOc1ccc2nc(Sc3ccc(/C=C4/C(=O)NC(=S)N(c5ccccc5)C4=O)cc3[N+](=O)[O-])sc2c1 ZINC000408987573 1070350617 /nfs/dbraw/zinc/35/06/17/1070350617.db2.gz BHBJOMWMEANNKB-LDADJPATSA-N 0 1 562.654 5.586 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(SCC(=O)Nc4ccc5ccccc5c4)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1C ZINC000408993824 1070369432 /nfs/dbraw/zinc/36/94/32/1070369432.db2.gz XABRJQABGVYNFC-AFUMVMLFSA-N 0 1 596.690 5.927 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409002318 1070378877 /nfs/dbraw/zinc/37/88/77/1070378877.db2.gz SYEJVRIMAAKEJU-VCHYOVAHSA-N 0 1 699.248 7.554 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(OCc5ccc(F)cc5)cc4)c3C)C(=O)NC2=S)c(OC)c1 ZINC000409084256 1070510063 /nfs/dbraw/zinc/51/00/63/1070510063.db2.gz CFRFTRMPHZWISZ-JVWAILMASA-N 0 1 585.657 5.661 40 10 KKCBMN Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)s2)C(=O)NC1=S ZINC000409086600 1070519588 /nfs/dbraw/zinc/51/95/88/1070519588.db2.gz FMOQIGKSJLRBDI-LFIBNONCSA-N 0 1 505.473 6.346 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc(Br)cc4)c3-c3ccccc3)C(=O)NC2=S)c(C)c1 ZINC000409131522 1070550314 /nfs/dbraw/zinc/55/03/14/1070550314.db2.gz VXYWVNINDAXGAO-BRPDVVIDSA-N 0 1 632.583 8.022 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccccc4Cl)c(Br)c3)C2=O)cc1OC ZINC000409125135 1070552708 /nfs/dbraw/zinc/55/27/08/1070552708.db2.gz MPDYXXMAWNPPRN-RGVLZGJSSA-N 0 1 692.788 6.903 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4cccc(Cl)c4)c(Br)c3)C2=O)cc1OC ZINC000409135206 1070559563 /nfs/dbraw/zinc/55/95/63/1070559563.db2.gz VQGPPSNAPMPNNA-SRZZPIQSSA-N 0 1 692.788 6.903 40 10 KKCBMN O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12 ZINC000409145696 1070573251 /nfs/dbraw/zinc/57/32/51/1070573251.db2.gz PJXMGFPGMNIJLF-OEAKJJBVSA-N 0 1 514.379 5.114 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4Cl)c(OC)c3)C2=O)cc1OC ZINC000409146543 1070573749 /nfs/dbraw/zinc/57/37/49/1070573749.db2.gz UPGQKQUXWXRRKQ-HYARGMPZSA-N 0 1 565.022 5.387 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Cl)cc(Cl)c3OCc3ccc(F)cc3)C2=O)cc1OCC ZINC000409190867 1070608356 /nfs/dbraw/zinc/60/83/56/1070608356.db2.gz XGPPUSPUXYSBFF-OEAKJJBVSA-N 0 1 601.458 6.561 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccccc4)c(OCC)c3)C2=O)cc1OCC ZINC000409195938 1070615732 /nfs/dbraw/zinc/61/57/32/1070615732.db2.gz WXDYOZILMGXFAS-BUVRLJJBSA-N 0 1 637.527 6.276 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccccc3Cl)C2=O)cc1OCC ZINC000409195482 1070615117 /nfs/dbraw/zinc/61/51/17/1070615117.db2.gz VNIRURSXQHDWER-HAVVHWLPSA-N 0 1 549.023 5.769 40 10 KKCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(Cc2ccccc2Cl)c2ccc(Br)cc12 ZINC000409198077 1070618849 /nfs/dbraw/zinc/61/88/49/1070618849.db2.gz WMGHGAOYRXIYPY-JAIQZWGSSA-N 0 1 526.818 5.510 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(Br)c2ccccc21 ZINC000409206913 1070622268 /nfs/dbraw/zinc/62/22/68/1070622268.db2.gz NHOLBMKMPHIIRP-STZFKDTASA-N 0 1 506.400 5.414 40 10 KKCBMN COC(=O)c1c(C)c(C)sc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c1C ZINC000409204277 1070630375 /nfs/dbraw/zinc/63/03/75/1070630375.db2.gz DNEXMNXBVVBUAG-VXLYETTFSA-N 0 1 542.082 5.352 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccccc1Cl ZINC000409239016 1070654757 /nfs/dbraw/zinc/65/47/57/1070654757.db2.gz YMCBOOJKIBTCJY-WOJGMQOQSA-N 0 1 503.933 5.598 40 10 KKCBMN Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 ZINC000409265210 1070688133 /nfs/dbraw/zinc/68/81/33/1070688133.db2.gz RIZMRZLCAYAMMM-NDENLUEZSA-N 0 1 629.330 5.369 40 10 KKCBMN Cc1cccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2Br)c1C ZINC000409267186 1070691916 /nfs/dbraw/zinc/69/19/16/1070691916.db2.gz MGJRSKFRNFYSNC-ODLFYWEKSA-N 0 1 643.357 5.677 40 10 KKCBMN O=C(NN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2F)SC1=S)c1cccs1 ZINC000409346462 1070863156 /nfs/dbraw/zinc/86/31/56/1070863156.db2.gz KTTCBIFSWTWYOX-ODLFYWEKSA-N 0 1 549.468 5.775 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)C(=O)NC2=S)cc1 ZINC000409385012 1070902464 /nfs/dbraw/zinc/90/24/64/1070902464.db2.gz GHYZZNIJMKLOMJ-OFWBYEQRSA-N 0 1 598.684 7.113 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1O[C@H](C)CC ZINC000409378397 1070904528 /nfs/dbraw/zinc/90/45/28/1070904528.db2.gz OUGVKDLSBCNACI-IYSPOMMRSA-N 0 1 578.472 5.261 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCc4cccc5ccccc54)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409380391 1070905828 /nfs/dbraw/zinc/90/58/28/1070905828.db2.gz MGPPCQWOPSENEZ-MFKUBSTISA-N 0 1 557.071 6.475 40 10 KKCBMN Cc1ccc(Sc2oc(/C=C3\C(=O)NC(=S)N(c4cc(C)cc(C)c4)C3=O)cc2Br)cc1 ZINC000408915143 1071009214 /nfs/dbraw/zinc/00/92/14/1071009214.db2.gz VGYMOBXDZDTSRD-YBFXNURJSA-N 0 1 527.465 5.950 40 10 KKCBMN Cc1ccc(Sc2oc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4)C3=O)cc2Br)cc1 ZINC000408915786 1071006807 /nfs/dbraw/zinc/00/68/07/1071006807.db2.gz YMOSQAPFUYZHTL-LICLKQGHSA-N 0 1 533.856 5.986 40 10 KKCBMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000408917598 1071144515 /nfs/dbraw/zinc/14/45/15/1071144515.db2.gz YDQFDPUMHWTWOI-NDENLUEZSA-N 0 1 524.404 5.967 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1ccccc1F ZINC000408917454 1071146478 /nfs/dbraw/zinc/14/64/78/1071146478.db2.gz UUWOWFXEDUXXDM-ZDLGFXPLSA-N 0 1 559.388 5.146 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408695426 1071384482 /nfs/dbraw/zinc/38/44/82/1071384482.db2.gz UOWPUCJYACICCO-OEAKJJBVSA-N 0 1 610.448 5.827 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(Br)cc1OCc1ccccc1Cl ZINC000408694202 1071388510 /nfs/dbraw/zinc/38/85/10/1071388510.db2.gz FOHAQSPIYIUJGF-WOJGMQOQSA-N 0 1 547.833 5.485 40 10 KKCBMN COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1C(=O)N1CCCCCC1 ZINC000408693491 1071391130 /nfs/dbraw/zinc/39/11/30/1071391130.db2.gz XHOKXIMYCXYCFV-UHFFFAOYSA-N 0 1 527.042 5.397 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000408692854 1071393266 /nfs/dbraw/zinc/39/32/66/1071393266.db2.gz WXCGGOBZKQEDTH-LPYMAVHISA-N 0 1 549.421 5.594 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408692582 1071394921 /nfs/dbraw/zinc/39/49/21/1071394921.db2.gz PUTBWHVDNDNDMS-YBFXNURJSA-N 0 1 592.284 5.594 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408692155 1071395425 /nfs/dbraw/zinc/39/54/25/1071395425.db2.gz FQWIMTNKCQOHAO-VCHYOVAHSA-N 0 1 533.806 5.095 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000408692099 1071396141 /nfs/dbraw/zinc/39/61/41/1071396141.db2.gz DKIUJFPNOQUUEL-CXUHLZMHSA-N 0 1 568.251 5.748 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408692241 1071396219 /nfs/dbraw/zinc/39/62/19/1071396219.db2.gz IELLKEHVAWARAS-LPYMAVHISA-N 0 1 596.421 5.436 40 10 KKCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000408692246 1071396274 /nfs/dbraw/zinc/39/62/74/1071396274.db2.gz IJMOMJAIVBXYKC-WOJGMQOQSA-N 0 1 503.780 5.086 40 10 KKCBMN O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 ZINC000408966339 1071410098 /nfs/dbraw/zinc/41/00/98/1071410098.db2.gz LTFGLTKABSCJRM-ONUIUJJFSA-N 0 1 623.065 7.343 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000408965964 1071412549 /nfs/dbraw/zinc/41/25/49/1071412549.db2.gz KLUNQJSUWKVAFA-ZVHZXABRSA-N 0 1 594.495 6.950 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000408965085 1071415648 /nfs/dbraw/zinc/41/56/48/1071415648.db2.gz GIJNOPFIAXHGAS-WYMPLXKRSA-N 0 1 628.940 7.604 40 10 KKCBMN COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1C ZINC000408964642 1071417216 /nfs/dbraw/zinc/41/72/16/1071417216.db2.gz DYMLHQXBYVEJNV-RQZCQDPDSA-N 0 1 518.397 5.380 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408723662 1071527645 /nfs/dbraw/zinc/52/76/45/1071527645.db2.gz ZEGWCCOJXUTKKU-RQZCQDPDSA-N 0 1 687.770 7.060 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408723586 1071527716 /nfs/dbraw/zinc/52/77/16/1071527716.db2.gz XHGISXLFPNONJS-CAOOACKPSA-N 0 1 673.743 6.670 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408723314 1071528692 /nfs/dbraw/zinc/52/86/92/1071528692.db2.gz TWDUJLKPGUZONM-RQZCQDPDSA-N 0 1 694.847 5.783 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408722966 1071530284 /nfs/dbraw/zinc/53/02/84/1071530284.db2.gz OVMGRPWGQUTBBK-OMCISZLKSA-N 0 1 661.188 7.482 40 10 KKCBMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(I)c(OCc2ccccc2)c(I)c1 ZINC000408721845 1071536379 /nfs/dbraw/zinc/53/63/79/1071536379.db2.gz AKPYBIYQWFRZHM-VCHYOVAHSA-N 0 1 700.723 5.960 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408722766 1071532754 /nfs/dbraw/zinc/53/27/54/1071532754.db2.gz NBIBPENTGHTGBY-VXLYETTFSA-N 0 1 653.325 6.407 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408722543 1071532770 /nfs/dbraw/zinc/53/27/70/1071532770.db2.gz JZOPPJUAAONQQY-GIJQJNRQSA-N 0 1 687.770 7.060 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408722584 1071533249 /nfs/dbraw/zinc/53/32/49/1071533249.db2.gz LGMYQNLBDQVMFQ-GIJQJNRQSA-N 0 1 639.298 6.017 40 10 KKCBMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(/N=N/c4ccccc4)cc3O)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408736297 1071556663 /nfs/dbraw/zinc/55/66/63/1071556663.db2.gz PIKCQTQFRUDIIT-NEPBQVNBSA-N 0 1 566.683 6.043 40 10 KKCBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)c1 ZINC000408994308 1071559503 /nfs/dbraw/zinc/55/95/03/1071559503.db2.gz ZFASXBAHIXOKNR-VCHYOVAHSA-N 0 1 591.652 5.712 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1C ZINC000408993659 1071563388 /nfs/dbraw/zinc/56/33/88/1071563388.db2.gz WOWCKZSSPQCBGN-VCHYOVAHSA-N 0 1 591.652 5.712 40 10 KKCBMN CCOc1ccc2nc(Sc3ccc(/C=C4\C(=O)NC(=S)N(c5ccc(C)cc5C)C4=O)o3)sc2c1 ZINC000408991392 1071582158 /nfs/dbraw/zinc/58/21/58/1071582158.db2.gz NSKVTFYDPJOHLE-LDADJPATSA-N 0 1 535.672 5.887 40 10 KKCBMN Cc1cccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(NC(=O)c6ccc(Cl)cc6)cc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)c1 ZINC000408991185 1071582534 /nfs/dbraw/zinc/58/25/34/1071582534.db2.gz NFCSLAXUEQLBOL-OEAKJJBVSA-N 0 1 686.196 7.401 40 10 KKCBMN CCOc1ccc2nc(Sc3ccc(/C=C4\C(=O)NC(=S)N(c5cccc(C)c5)C4=O)o3)sc2c1 ZINC000408989576 1071595713 /nfs/dbraw/zinc/59/57/13/1071595713.db2.gz IKFSBBZPDRDDEX-LDADJPATSA-N 0 1 521.645 5.579 40 10 KKCBMN Cc1cc(Br)ccc1N1C(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)C(=O)NC1=S ZINC000408739865 1071602255 /nfs/dbraw/zinc/60/22/55/1071602255.db2.gz BBIKZDKHWQTHLX-RRAHZORUSA-N 0 1 618.556 7.714 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)C(=O)NC2=S)cc1Cl ZINC000408988665 1071604345 /nfs/dbraw/zinc/60/43/45/1071604345.db2.gz FLDKSFURBKGBBR-XNTDXEJSSA-N 0 1 557.034 5.742 40 10 KKCBMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 ZINC000408988158 1071607275 /nfs/dbraw/zinc/60/72/75/1071607275.db2.gz CYOBNIXTTXQNKQ-SXDGJLEOSA-N 0 1 555.121 6.470 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)c(Sc2ccccc2)o1 ZINC000408996532 1071618488 /nfs/dbraw/zinc/61/84/88/1071618488.db2.gz IOTDJRDVEQVZPG-MHWRWJLKSA-N 0 1 519.829 5.678 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408741324 1071626787 /nfs/dbraw/zinc/62/67/87/1071626787.db2.gz LEUUHRXSAGKXEB-YDZHTSKRSA-N 0 1 654.913 6.517 40 10 KKCBMN CCOc1cccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)C(=O)NC2=S)c1 ZINC000408742144 1071622191 /nfs/dbraw/zinc/62/21/91/1071622191.db2.gz POTHHZYTMZKIBR-AWQFTUOYSA-N 0 1 636.351 6.574 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000408742026 1071622789 /nfs/dbraw/zinc/62/27/89/1071622789.db2.gz OVZRFJUPUJKSRF-MHWRWJLKSA-N 0 1 522.207 5.847 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000408741661 1071623903 /nfs/dbraw/zinc/62/39/03/1071623903.db2.gz MZLZMSPGSFKNIN-JAIQZWGSSA-N 0 1 559.283 5.450 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1ccc(F)cc1 ZINC000408740859 1071628413 /nfs/dbraw/zinc/62/84/13/1071628413.db2.gz IRXKXCNYGAFHNB-UDWIEESQSA-N 0 1 555.425 5.316 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408740236 1071631497 /nfs/dbraw/zinc/63/14/97/1071631497.db2.gz FBVMAQSSLQNQSU-FYJGNVAPSA-N 0 1 551.462 5.567 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(OCc5ccccc5Cl)cc4)c3C)C(=O)NC2=S)cc1 ZINC000409017080 1071704460 /nfs/dbraw/zinc/70/44/60/1071704460.db2.gz WHMLUJVKMHNMQK-WPWMEQJKSA-N 0 1 572.086 6.166 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000409022529 1071718950 /nfs/dbraw/zinc/71/89/50/1071718950.db2.gz AGLRRABSKMZYFT-RGVLZGJSSA-N 0 1 512.404 5.135 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C(=O)NC2=S)cc1 ZINC000409020817 1071724738 /nfs/dbraw/zinc/72/47/38/1071724738.db2.gz UFPNOWTWRWFNEW-ODLFYWEKSA-N 0 1 500.407 5.241 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408775036 1071758046 /nfs/dbraw/zinc/75/80/46/1071758046.db2.gz ZYNGLRKNLMOKRN-FYJGNVAPSA-N 0 1 584.435 5.019 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408769704 1071790294 /nfs/dbraw/zinc/79/02/94/1071790294.db2.gz ZSWYYENPNARZBN-HYARGMPZSA-N 0 1 601.572 5.673 40 10 KKCBMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cn(CCSc2ccc(Cl)cc2)c2ccccc12 ZINC000408767794 1071805180 /nfs/dbraw/zinc/80/51/80/1071805180.db2.gz OJBGKIQNZXUBAK-HZHRSRAPSA-N 0 1 596.959 6.681 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000408781902 1071814814 /nfs/dbraw/zinc/81/48/14/1071814814.db2.gz FVKNAEOCXNXGEL-GZTJUZNOSA-N 0 1 549.277 5.995 40 10 KKCBMN Cc1ccc(N=Nc2ccc(N3C(=O)C(OC(=O)c4ccccc4)[C@H](OC(=O)c4ccccc4)C3=O)cc2)cc1 ZINC000409293205 1071842715 /nfs/dbraw/zinc/84/27/15/1071842715.db2.gz HFPCJAPFFLAUIZ-QSNXDLDHSA-N 0 1 533.540 5.735 40 10 KKCBMN Cc1ccc(N=Nc2ccc(N3C(=O)[C@@H](OC(=O)c4ccccc4)[C@H](OC(=O)c4ccccc4)C3=O)cc2)cc1 ZINC000409293205 1071842730 /nfs/dbraw/zinc/84/27/30/1071842730.db2.gz HFPCJAPFFLAUIZ-QSNXDLDHSA-N 0 1 533.540 5.735 40 10 KKCBMN Cc1cc(C)cc(N2C(=O)/C(=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Cl)c3)C(=O)NC2=S)c1 ZINC000408785810 1071855044 /nfs/dbraw/zinc/85/50/44/1071855044.db2.gz ZOUVYSMLPQAXFK-VCHYOVAHSA-N 0 1 575.952 6.507 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000408784148 1071865346 /nfs/dbraw/zinc/86/53/46/1071865346.db2.gz SQKONIDOBOOICD-DJKKODMXSA-N 0 1 681.200 6.393 40 10 KKCBMN Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cccn2-c2cccc(Br)c2)C(=O)NC1=S ZINC000409066879 1072000139 /nfs/dbraw/zinc/00/01/39/1072000139.db2.gz CXMYUYHIXDMQFN-SFQUDFHCSA-N 0 1 500.805 5.033 40 10 KKCBMN CCCCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(OC)cc4OC)C3=O)c2C)cc1 ZINC000409074921 1072065815 /nfs/dbraw/zinc/06/58/15/1072065815.db2.gz OIQKWIRTPQARTR-LFVJCYFKSA-N 0 1 517.651 5.285 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1 ZINC000409067625 1072117029 /nfs/dbraw/zinc/11/70/29/1072117029.db2.gz GNPDRTYGYPVWGR-YZSQISJMSA-N 0 1 556.087 6.466 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000409099196 1072326167 /nfs/dbraw/zinc/32/61/67/1072326167.db2.gz QVAKNXPFCBFNTH-UNOMPAQXSA-N 0 1 575.859 5.492 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc5ccccc5c4)c3C)C(=O)NC2=S)c(OC)c1 ZINC000409104318 1072354798 /nfs/dbraw/zinc/35/47/98/1072354798.db2.gz CRQTUIINUDUNQZ-BUVRLJJBSA-N 0 1 511.603 5.096 40 10 KKCBMN O=C(NN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)SC1=S)c1cccs1 ZINC000409332332 1072363038 /nfs/dbraw/zinc/36/30/38/1072363038.db2.gz QTDKUNPWANORTP-ODLFYWEKSA-N 0 1 576.475 5.544 40 10 KKCBMN O=C(NN1C(=O)/C(=C\c2cn(Cc3ccccc3Cl)c3ccccc23)SC1=S)c1cccs1 ZINC000409331260 1072370859 /nfs/dbraw/zinc/37/08/59/1072370859.db2.gz NFAQEIVLBUSNQD-CIAFOILYSA-N 0 1 510.065 5.951 40 10 KKCBMN Cc1c(Cl)cccc1N1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)NC1=S ZINC000409108905 1072403600 /nfs/dbraw/zinc/40/36/00/1072403600.db2.gz YTWGTEFEBPTVLB-WJDWOHSUSA-N 0 1 501.789 5.502 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OS(=O)(=O)c4ccc(C)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409123531 1072415263 /nfs/dbraw/zinc/41/52/63/1072415263.db2.gz CMDSLBOLQJJRAW-OEAKJJBVSA-N 0 1 687.565 5.383 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccc(F)cc4)c(OC)c3)C2=O)cc1OC ZINC000409125873 1072457232 /nfs/dbraw/zinc/45/72/32/1072457232.db2.gz ACLFWXQMDIRFLX-WSDLNYQXSA-N 0 1 627.463 5.635 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc5ccccc54)cc3)C2=O)cc1OC ZINC000409124904 1072462864 /nfs/dbraw/zinc/46/28/64/1072462864.db2.gz BUVFJQMFCDALNK-MTDXEUNCSA-N 0 1 550.611 5.878 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)C2=O)cc1OC ZINC000409124975 1072463354 /nfs/dbraw/zinc/46/33/54/1072463354.db2.gz CULUGULUNHWQQV-YDZHTSKRSA-N 0 1 624.046 5.685 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000409124597 1072466502 /nfs/dbraw/zinc/46/65/02/1072466502.db2.gz BRJKWPJUXAQHEM-HZHRSRAPSA-N 0 1 624.444 5.396 40 10 KKCBMN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409339947 1072472386 /nfs/dbraw/zinc/47/23/86/1072472386.db2.gz NDTXMPWWWZQNCX-OEAKJJBVSA-N 0 1 567.714 5.327 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccc(Cl)cc4Cl)c3)C2=O)cc1OC ZINC000409136993 1072475830 /nfs/dbraw/zinc/47/58/30/1072475830.db2.gz VXPLHKQWXCZYMI-QRVIBDJDSA-N 0 1 569.441 6.032 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccccc4)c(Br)c3)C2=O)cc1OC ZINC000409135612 1072483855 /nfs/dbraw/zinc/48/38/55/1072483855.db2.gz RLJHKNOOWGLUMU-CIAFOILYSA-N 0 1 658.343 6.250 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccc(Cl)cc4)c3)C2=O)cc1OC ZINC000409134660 1072491650 /nfs/dbraw/zinc/49/16/50/1072491650.db2.gz XABSIFSCQDZINB-IWIPYMOSSA-N 0 1 534.996 5.378 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Cl)cc(Cl)c3OCc3ccc(F)cc3)C2=O)cc1OC ZINC000409134161 1072493948 /nfs/dbraw/zinc/49/39/48/1072493948.db2.gz NWHILMNVJKDVIY-LPYMAVHISA-N 0 1 587.431 6.171 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409133519 1072497701 /nfs/dbraw/zinc/49/77/01/1072497701.db2.gz LETSBUMEYFQMIQ-BUVRLJJBSA-N 0 1 562.594 5.263 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4cccc(Cl)c4)c(OCC)c3)C2=O)cc1OC ZINC000409133599 1072498365 /nfs/dbraw/zinc/49/83/65/1072498365.db2.gz LRJRHVIGZCOPDH-YDZHTSKRSA-N 0 1 657.945 6.540 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCc3ccccc3)C2=O)cc1OC ZINC000409133147 1072501145 /nfs/dbraw/zinc/50/11/45/1072501145.db2.gz ZTYPFOOCDPLENI-XQNSMLJCSA-N 0 1 579.447 5.488 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3c(OCc4ccc(Br)cc4)ccc4ccccc43)C2=O)cc1OC ZINC000409132431 1072504689 /nfs/dbraw/zinc/50/46/89/1072504689.db2.gz XXQRSKVLDCMLMY-OVVQPSECSA-N 0 1 629.507 6.641 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccc(Br)cc4)c(OC)c3)C2=O)cc1OC ZINC000409131221 1072510509 /nfs/dbraw/zinc/51/05/09/1072510509.db2.gz KHVGFIJEENBAEJ-WSDLNYQXSA-N 0 1 688.369 6.259 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OC(C)C ZINC000409130910 1072512015 /nfs/dbraw/zinc/51/20/15/1072512015.db2.gz OFNCJBJSPHSAIA-LICLKQGHSA-N 0 1 517.445 5.083 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Cl)cc(Cl)c3OCc3ccc(Cl)cc3Cl)C2=O)cc1OC ZINC000409130410 1072515460 /nfs/dbraw/zinc/51/54/60/1072515460.db2.gz HJRRYWUKSSMUGL-SRZZPIQSSA-N 0 1 638.331 7.339 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4ccccc4F)c(OC)c3)C2=O)cc1OC ZINC000409128475 1072525596 /nfs/dbraw/zinc/52/55/96/1072525596.db2.gz OYSKKPYYRNDPJT-CIAFOILYSA-N 0 1 674.463 5.477 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4cccc(Cl)c4)c(OC)c3)C2=O)cc1OC ZINC000409144194 1072535317 /nfs/dbraw/zinc/53/53/17/1072535317.db2.gz DTTSXMOYFGXGSH-WSDLNYQXSA-N 0 1 690.918 5.992 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Cl)cc(Cl)c3OCc3cccc(F)c3)C2=O)cc1OC ZINC000409143656 1072540013 /nfs/dbraw/zinc/54/00/13/1072540013.db2.gz MWUGWEAPTFREHK-LPYMAVHISA-N 0 1 587.431 6.171 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCc3cccc(Cl)c3)C2=O)cc1OC ZINC000409143433 1072542299 /nfs/dbraw/zinc/54/22/99/1072542299.db2.gz MCSFZWXUJXLKKR-HZHRSRAPSA-N 0 1 613.892 6.141 40 10 KKCBMN COc1cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000409350391 1072543517 /nfs/dbraw/zinc/54/35/17/1072543517.db2.gz YABXGPLMNQBSFA-JJFYIABZSA-N 0 1 554.715 5.425 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccccc1Br ZINC000409140891 1072556903 /nfs/dbraw/zinc/55/69/03/1072556903.db2.gz GPYHBBSOQUDAQV-CPNJWEJPSA-N 0 1 508.441 5.305 40 10 KKCBMN O=C(NN1C(=O)/C(=C/c2ccc(OCc3ccc4ccccc4c3)cc2)SC1=S)c1cccs1 ZINC000409348154 1072558285 /nfs/dbraw/zinc/55/82/85/1072558285.db2.gz RUSWCZQQPSKXOR-HAHDFKILSA-N 0 1 502.642 6.027 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1OC ZINC000409139366 1072564686 /nfs/dbraw/zinc/56/46/86/1072564686.db2.gz NFAQFYKEZPUSQD-LPYMAVHISA-N 0 1 624.444 5.396 40 10 KKCBMN Cc1cccc(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4)c4ccccc34)C(=O)NC2=S)c1C ZINC000409147138 1072577123 /nfs/dbraw/zinc/57/71/23/1072577123.db2.gz VGKBIRHEKGUJNO-OEAKJJBVSA-N 0 1 500.023 5.791 40 10 KKCBMN O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(CCCOc2ccccc2Cl)c2ccccc12 ZINC000409146480 1072582409 /nfs/dbraw/zinc/58/24/09/1072582409.db2.gz UIPYKJJWIYKEQM-HAVVHWLPSA-N 0 1 513.981 5.426 40 10 KKCBMN CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)c2-c2ccccc2)cc1 ZINC000409145125 1072589209 /nfs/dbraw/zinc/58/92/09/1072589209.db2.gz PHIWKTRZKAVLKW-VAMRJTSQSA-N 0 1 625.750 7.436 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCc1cccc(F)c1 ZINC000409375514 1072624264 /nfs/dbraw/zinc/62/42/64/1072624264.db2.gz LWNRIYSUJWYEPG-LPYMAVHISA-N 0 1 583.479 5.960 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409376177 1072630006 /nfs/dbraw/zinc/63/00/06/1072630006.db2.gz VNDWSIDYKSCDKU-LPYMAVHISA-N 0 1 657.486 5.571 40 10 KKCBMN Cc1ccccc1OCCn1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c2cc(Br)ccc21 ZINC000409149626 1072634597 /nfs/dbraw/zinc/63/45/97/1072634597.db2.gz LPAKLIAORORWPX-BUVRLJJBSA-N 0 1 558.432 5.453 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(I)c1OCc1ccc(I)cc1 ZINC000409374301 1072638167 /nfs/dbraw/zinc/63/81/67/1072638167.db2.gz LXFKEXBTFQYLFE-VXLYETTFSA-N 0 1 698.251 5.129 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4ccc(Br)cc4)c(OC)c3)C2=O)cc1OC ZINC000409149046 1072638902 /nfs/dbraw/zinc/63/89/02/1072638902.db2.gz WJCFHXCOXDSBMQ-WSDLNYQXSA-N 0 1 735.369 6.101 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409374110 1072640590 /nfs/dbraw/zinc/64/05/90/1072640590.db2.gz JZSKEDYMTCEATG-VXLYETTFSA-N 0 1 606.800 5.177 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000409372295 1072645986 /nfs/dbraw/zinc/64/59/86/1072645986.db2.gz JWWKVHOKRFWUPX-CVKSISIWSA-N 0 1 513.525 5.067 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000409372245 1072646048 /nfs/dbraw/zinc/64/60/48/1072646048.db2.gz JQYKGVWNDSEKNS-MFKUBSTISA-N 0 1 513.525 5.067 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000409371851 1072647793 /nfs/dbraw/zinc/64/77/93/1072647793.db2.gz JBXJALSRQHXDKL-WSDLNYQXSA-N 0 1 561.388 5.445 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409370028 1072655383 /nfs/dbraw/zinc/65/53/83/1072655383.db2.gz JSMBZTMWZTUAQE-SRZZPIQSSA-N 0 1 589.928 7.018 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc(I)cc3)C(=O)NC2=S)cc1 ZINC000409378609 1072675628 /nfs/dbraw/zinc/67/56/28/1072675628.db2.gz QIPFEKRWTFIVSQ-PXLXIMEGSA-N 0 1 568.436 5.264 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Br)cc4F)c3C)C(=O)NC2=S)cc1 ZINC000409377964 1072677846 /nfs/dbraw/zinc/67/78/46/1072677846.db2.gz LCTNGQOYQOCVFI-UDWIEESQSA-N 0 1 526.431 5.389 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccccc3)C(=O)NC2=S)cc1 ZINC000409384100 1072681066 /nfs/dbraw/zinc/68/10/66/1072681066.db2.gz ASMLHTVOIASRHY-PXLXIMEGSA-N 0 1 521.436 5.422 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cccc(F)c4)c(Br)c3)C(=O)NC2=S)cc1 ZINC000409384093 1072681095 /nfs/dbraw/zinc/68/10/95/1072681095.db2.gz ANOALFJVGZHBLX-FYJGNVAPSA-N 0 1 539.426 5.561 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(O[C@H](C)CC)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409384508 1072697376 /nfs/dbraw/zinc/69/73/76/1072697376.db2.gz CKAANFDASXDUJI-XWAFYUISSA-N 0 1 517.445 5.029 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409384216 1072699437 /nfs/dbraw/zinc/69/94/37/1072699437.db2.gz CGEUZYRQZOJPMV-CIAFOILYSA-N 0 1 552.008 5.230 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cccc5ccccc54)c(Br)c3)C(=O)NC2=S)cc1 ZINC000409383480 1072701401 /nfs/dbraw/zinc/70/14/01/1072701401.db2.gz YNDJBVFWJFALER-PCLIKHOPSA-N 0 1 571.496 6.575 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409383300 1072703764 /nfs/dbraw/zinc/70/37/64/1072703764.db2.gz UAXNRFPJVXYDAR-VXLYETTFSA-N 0 1 575.901 6.628 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3c(OCc4cccc(C)c4)ccc4ccccc43)C(=O)NC2=S)cc1 ZINC000409382952 1072704721 /nfs/dbraw/zinc/70/47/21/1072704721.db2.gz PJDLCVZUJLRKAP-OVVQPSECSA-N 0 1 506.627 6.121 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccc4ccccc4c3)C(=O)NC2=S)cc1 ZINC000409382325 1072707532 /nfs/dbraw/zinc/70/75/32/1072707532.db2.gz RTOBQQYJQUWVJN-YZSQISJMSA-N 0 1 571.496 6.575 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccc(Cl)c(Cl)c3)C(=O)NC2=S)cc1 ZINC000409381853 1072708850 /nfs/dbraw/zinc/70/88/50/1072708850.db2.gz KBSCCWNQSRDOKY-DEDYPNTBSA-N 0 1 590.326 6.729 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4cccc5ccccc54)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409380992 1072714077 /nfs/dbraw/zinc/71/40/77/1072714077.db2.gz QORHHTXMKNFDMJ-MYYYXRDXSA-N 0 1 601.522 6.584 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccc5ccccc5c4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409381012 1072714144 /nfs/dbraw/zinc/71/41/44/1072714144.db2.gz CTWOFTQFZVYVSY-MFKUBSTISA-N 0 1 648.522 6.426 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000409380721 1072716433 /nfs/dbraw/zinc/71/64/33/1072716433.db2.gz BWSKEVQLWRZODV-WGOQTCKBSA-N 0 1 662.549 6.816 40 10 KKCBMN O=C(COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1Cl)Nc1ccccc1F ZINC000409379928 1072721413 /nfs/dbraw/zinc/72/14/13/1072721413.db2.gz CJJBXCGNYJGSIB-LICLKQGHSA-N 0 1 588.842 5.090 40 10 KKCBMN COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4F)cc3)c2C)C(=O)NC1=S ZINC000409172742 1072732562 /nfs/dbraw/zinc/73/25/62/1072732562.db2.gz HTXHKFDORMMVCG-KOEQRZSOSA-N 0 1 555.631 5.652 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409389002 1072735128 /nfs/dbraw/zinc/73/51/28/1072735128.db2.gz YRKMOBWFEOPQMP-OEAKJJBVSA-N 0 1 578.090 5.458 40 10 KKCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cn(Cc2ccc(Br)cc2Br)c2ccccc12 ZINC000409400215 1072747250 /nfs/dbraw/zinc/74/72/50/1072747250.db2.gz QNSJHRPFVQGFPA-MTJSOVHGSA-N 0 1 551.238 5.676 40 10 KKCBMN COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(Br)c(C)c3)c2C)C(=O)NC1=S ZINC000409168265 1072755250 /nfs/dbraw/zinc/75/52/50/1072755250.db2.gz PKXCKNIVZRDSRO-CPNJWEJPSA-N 0 1 524.440 5.005 40 10 KKCBMN COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)C(=O)NC1=S ZINC000409167405 1072759850 /nfs/dbraw/zinc/75/98/50/1072759850.db2.gz JNZWNAIHKBRXEH-KOEQRZSOSA-N 0 1 584.679 5.993 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2Br)cc1 ZINC000409186784 1072761840 /nfs/dbraw/zinc/76/18/40/1072761840.db2.gz HVFXOXPCYYROBT-WOJGMQOQSA-N 0 1 590.268 5.761 40 10 KKCBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCc1ccc(Br)cc1Br ZINC000409404462 1072767027 /nfs/dbraw/zinc/76/70/27/1072767027.db2.gz CWLJCVYKEZNDRA-NVMNQCDNSA-N 0 1 637.122 6.023 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000409400862 1072783320 /nfs/dbraw/zinc/78/33/20/1072783320.db2.gz UQCCOCAJPAOSBX-ITYLOYPMSA-N 0 1 550.684 6.057 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000409410019 1072808134 /nfs/dbraw/zinc/80/81/34/1072808134.db2.gz YFGHUMZGBUQTBL-WQRHYEAKSA-N 0 1 562.247 6.195 40 10 KKCBMN COc1cc(Br)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc(Cl)cc1 ZINC000409409780 1072808179 /nfs/dbraw/zinc/80/81/79/1072808179.db2.gz WZDANEGMEYFKNH-UDWIEESQSA-N 0 1 513.775 5.152 40 10 KKCBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409408106 1072817870 /nfs/dbraw/zinc/81/78/70/1072817870.db2.gz PFFVBNVTKNFITE-ODLFYWEKSA-N 0 1 513.775 5.152 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000409407602 1072820268 /nfs/dbraw/zinc/82/02/68/1072820268.db2.gz MYPPXALDZNGSEW-NDENLUEZSA-N 0 1 619.253 5.493 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccc(C)cc4)c(OC)c3)C2=O)cc1OCC ZINC000409193247 1072824258 /nfs/dbraw/zinc/82/42/58/1072824258.db2.gz ICPGTDAJMLFPPS-ZVHZXABRSA-N 0 1 637.527 6.195 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccccc4F)c3)C2=O)cc1OCC ZINC000409195452 1072836301 /nfs/dbraw/zinc/83/63/01/1072836301.db2.gz URPBAUWUOQUFBB-JLPGSUDCSA-N 0 1 532.568 5.254 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4cccc5ccccc54)c(OCC)c3)C2=O)cc1OCC ZINC000409192939 1072852319 /nfs/dbraw/zinc/85/23/19/1072852319.db2.gz HKKXJEUADXVTHZ-OGLMXYFKSA-N 0 1 734.587 7.272 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc(Br)cc4)c(OC)c3)C2=O)cc1OCC ZINC000409192664 1072853801 /nfs/dbraw/zinc/85/38/01/1072853801.db2.gz DRNRFGXLINNHEG-YDZHTSKRSA-N 0 1 657.945 6.540 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OS(=O)(=O)c4ccccc4)c(OCC)c3)C2=O)cc1OCC ZINC000409192505 1072854448 /nfs/dbraw/zinc/85/44/48/1072854448.db2.gz YDIRCUYFGAKCQL-HZHRSRAPSA-N 0 1 734.565 5.307 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3Cl)C2=O)cc1OCC ZINC000409192504 1072854613 /nfs/dbraw/zinc/85/46/13/1072854613.db2.gz YCHVEMSPXBOBPA-HZHRSRAPSA-N 0 1 583.468 6.422 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(F)cc3)C2=O)cc1OCC ZINC000409192555 1072855059 /nfs/dbraw/zinc/85/50/59/1072855059.db2.gz DYPBCYIEQAEZBB-JJIBRWJFSA-N 0 1 532.568 5.254 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4cccc(Cl)c4)c(OC)c3)C2=O)cc1OCC ZINC000409192002 1072858906 /nfs/dbraw/zinc/85/89/06/1072858906.db2.gz SDEMNYYPJUULPO-YDZHTSKRSA-N 0 1 704.945 6.382 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCc3ccccc3)C2=O)cc1OCC ZINC000409191846 1072859849 /nfs/dbraw/zinc/85/98/49/1072859849.db2.gz ORIRQMHDLQJKDU-JJIBRWJFSA-N 0 1 593.474 5.878 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccccc4Cl)c(Br)c3)C2=O)cc1OCC ZINC000409191878 1072860314 /nfs/dbraw/zinc/86/03/14/1072860314.db2.gz PKHLRGDCZVCTJV-CIAFOILYSA-N 0 1 706.815 7.294 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409191640 1072860688 /nfs/dbraw/zinc/86/06/88/1072860688.db2.gz ZTHARVOECAOHRS-PCLIKHOPSA-N 0 1 576.621 5.653 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCCC)c(OCC)c3)C2=O)cc1OCC ZINC000409191375 1072863021 /nfs/dbraw/zinc/86/30/21/1072863021.db2.gz GDONAPQDZIEAGI-DEDYPNTBSA-N 0 1 545.032 5.377 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4Cl)c(OCC)c3)C2=O)cc1OCC ZINC000409191393 1072863038 /nfs/dbraw/zinc/86/30/38/1072863038.db2.gz GJFRPOSBUXPZCA-LFVJCYFKSA-N 0 1 593.076 6.167 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(C)cc3)C2=O)cc1OCC ZINC000409191217 1072863672 /nfs/dbraw/zinc/86/36/72/1072863672.db2.gz DMVYHZMRXUWIAN-XIEYBQDHSA-N 0 1 528.605 5.424 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Cl)cc(Cl)c3OCc3ccc(Cl)cc3)C2=O)cc1OCC ZINC000409189559 1072876846 /nfs/dbraw/zinc/87/68/46/1072876846.db2.gz HVTQKFMKTIEASS-OEAKJJBVSA-N 0 1 617.913 7.075 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OS(=O)(=O)c4ccccc4)c(Br)c3)C2=O)cc1OCC ZINC000409187746 1072885685 /nfs/dbraw/zinc/88/56/85/1072885685.db2.gz BAYNEOPRMKZWAP-FYJGNVAPSA-N 0 1 722.408 5.829 40 10 KKCBMN COC(=O)c1c(C)c(C)sc1-n1c(C)cc(/C=C2/C(=O)NC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)c1C ZINC000409206895 1072889506 /nfs/dbraw/zinc/88/95/06/1072889506.db2.gz MZSGKHBGJDEGDQ-GXHLCREISA-N 0 1 562.500 5.697 40 10 KKCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000409226307 1072974981 /nfs/dbraw/zinc/97/49/81/1072974981.db2.gz MUKJIOXIAUSEOG-GZTJUZNOSA-N 0 1 510.415 5.816 40 10 KKCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12 ZINC000409221462 1072999071 /nfs/dbraw/zinc/99/90/71/1072999071.db2.gz QQWTWEBDPDHKFN-WSDLNYQXSA-N 0 1 550.518 5.448 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(Br)c1OCC ZINC000409221010 1073001339 /nfs/dbraw/zinc/00/13/39/1073001339.db2.gz JFIBIYACVSALRY-OVCLIPMQSA-N 0 1 543.361 5.097 40 10 KKCBMN CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)NC(=S)N(c4ccc(C)c(Cl)c4)C3=O)c2-c2ccccc2)cc1 ZINC000409220863 1073002425 /nfs/dbraw/zinc/00/24/25/1073002425.db2.gz HADAADAJWGCAIP-COEJQBHMSA-N 0 1 646.168 7.781 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000409236590 1073036941 /nfs/dbraw/zinc/03/69/41/1073036941.db2.gz SDXCKSOBEDXJJO-LICLKQGHSA-N 0 1 518.853 6.194 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409233859 1073053547 /nfs/dbraw/zinc/05/35/47/1073053547.db2.gz ICUCJZHRURPCJN-WPWMEQJKSA-N 0 1 556.087 6.466 40 10 KKCBMN CC(C)c1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)C(=O)NC2=S)cc1 ZINC000409232710 1073059559 /nfs/dbraw/zinc/05/95/59/1073059559.db2.gz BMBPXBGZXANDCD-OEAKJJBVSA-N 0 1 548.495 6.951 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000409231923 1073063052 /nfs/dbraw/zinc/06/30/52/1073063052.db2.gz GAUCYXHOZFBLKG-NLRVBDNBSA-N 0 1 608.789 6.735 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(Br)cc1F ZINC000409230938 1073067565 /nfs/dbraw/zinc/06/75/65/1073067565.db2.gz AEEBMKGMCZJCTF-MHWRWJLKSA-N 0 1 532.822 5.480 40 10 KKCBMN CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4Cl)C3=O)c1C)CCCC2 ZINC000409247099 1073071834 /nfs/dbraw/zinc/07/18/34/1073071834.db2.gz GGKRCFPCMDBCJY-XMHGGMMESA-N 0 1 568.120 5.696 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000409246903 1073073623 /nfs/dbraw/zinc/07/36/23/1073073623.db2.gz KVDKVLVQBXBYGQ-TURZUDJPSA-N 0 1 622.816 7.241 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C(=O)NC2=S)cc1Cl ZINC000409246322 1073077626 /nfs/dbraw/zinc/07/76/26/1073077626.db2.gz AZVPOKWDJXONRA-MHWRWJLKSA-N 0 1 502.335 5.301 40 10 KKCBMN CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3ccc([NH+](CC)CC)cc3)c2C)C1=O ZINC000409243317 1073092928 /nfs/dbraw/zinc/09/29/28/1073092928.db2.gz 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CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)c1C)CCCC2 ZINC000103860297 571367424 /nfs/dbraw/zinc/36/74/24/571367424.db2.gz CEKKLFYSZYMITM-KGENOOAVSA-N 0 1 612.571 5.805 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(Sc4ccc(Cl)cc4)o3)C(=O)NC2=S)cc1 ZINC000103869281 571368059 /nfs/dbraw/zinc/36/80/59/571368059.db2.gz BXLUEBDZGULKGS-WOJGMQOQSA-N 0 1 547.883 6.240 40 10 KKCBMN Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c(C)n1S(=O)(=O)c1ccccc1 ZINC000104406307 571380931 /nfs/dbraw/zinc/38/09/31/571380931.db2.gz IHGAPOSLQHUWQT-UHFFFAOYSA-N 0 1 529.039 5.027 40 10 KKCBMN O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(CCOc2ccccc2Cl)c2ccc(Br)cc12 ZINC000104882111 571387048 /nfs/dbraw/zinc/38/70/48/571387048.db2.gz LGNAYXCOHHONRN-KGENOOAVSA-N 0 1 570.871 5.931 40 10 KKCBMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(/N=N/c4ccccc4)cc3O)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000105499445 571406170 /nfs/dbraw/zinc/40/61/70/571406170.db2.gz JHJSFEFMWQCHPJ-VJBXOYAISA-N 0 1 570.696 5.641 40 10 KKCBMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(/N=N/c4ccccc4)cc3O)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000105500402 571406356 /nfs/dbraw/zinc/40/63/56/571406356.db2.gz GNDHUKKIZGXGBP-XNIUMVKYSA-N 0 1 604.688 6.081 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4Cl)c4ccccc34)C(=O)NC2=S)cc1 ZINC000107975675 571421927 /nfs/dbraw/zinc/42/19/27/571421927.db2.gz GWUOALJHKWYLMH-HZHRSRAPSA-N 0 1 500.023 5.737 40 10 KKCBMN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1F)c1ccc(Cl)cc1Cl ZINC000113511158 571439402 /nfs/dbraw/zinc/43/94/02/571439402.db2.gz CQVBUPCCNXMOPZ-UHFFFAOYSA-N 0 1 577.848 7.070 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000150343253 571458924 /nfs/dbraw/zinc/45/89/24/571458924.db2.gz HNNSZICYALVTKV-QRVIBDJDSA-N 0 1 652.364 6.784 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000150481494 571512626 /nfs/dbraw/zinc/51/26/26/571512626.db2.gz OUOQVFIUMAIWPV-VCHYOVAHSA-N 0 1 683.749 6.126 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 ZINC000164395270 571546988 /nfs/dbraw/zinc/54/69/88/571546988.db2.gz FVDICUKDGOQDBS-CXUHLZMHSA-N 0 1 682.265 5.511 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1 ZINC000164391406 571546992 /nfs/dbraw/zinc/54/69/92/571546992.db2.gz DQSOYMFXUONMFP-CXUHLZMHSA-N 0 1 716.164 6.366 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000164392693 571547058 /nfs/dbraw/zinc/54/70/58/571547058.db2.gz ZUNSXVAMZPZPKO-VGOFMYFVSA-N 0 1 614.707 6.959 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(OCc2ccccc2Cl)c(I)c1 ZINC000164393535 571547060 /nfs/dbraw/zinc/54/70/60/571547060.db2.gz GFJBBAVJKHNAPI-OQLLNIDSSA-N 0 1 671.713 6.257 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccc2ccccc2c1 ZINC000164402342 571547218 /nfs/dbraw/zinc/54/72/18/571547218.db2.gz TVUCFFTVEZAVFS-FYJGNVAPSA-N 0 1 638.458 6.002 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000164406603 571547491 /nfs/dbraw/zinc/54/74/91/571547491.db2.gz VEBSZDBLHOEGLY-WOJGMQOQSA-N 0 1 647.422 5.148 40 10 KKCBMN CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)cc2[C@H](C)CC1(C)C ZINC000208315186 571573825 /nfs/dbraw/zinc/57/38/25/571573825.db2.gz JZVQNQGCFVEEBZ-WMRWHDLOSA-N 0 1 526.500 5.701 40 10 KKCBMN Cc1[nH]n(-c2ccc(Br)c(C)c2C)c(=O)c1C=Nc1c(C)cc(Br)cc1[N+](=O)[O-] ZINC000408529702 572169228 /nfs/dbraw/zinc/16/92/28/572169228.db2.gz HQISNBSINBUEBE-DHDCSXOGSA-N 0 1 522.197 5.764 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408538859 572200002 /nfs/dbraw/zinc/20/00/02/572200002.db2.gz CPEPZOSZRMHXNX-QQXSKIMKSA-N 0 1 673.585 6.846 40 10 KKCBMN CCOc1cc(COc2c(Br)cc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408539864 572203831 /nfs/dbraw/zinc/20/38/31/572203831.db2.gz KFNKJAGHKMCDDJ-PKAZHMFMSA-N 0 1 687.612 7.236 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408542234 572210172 /nfs/dbraw/zinc/21/01/72/572210172.db2.gz KAKLEYHINOUNHD-OVVQPSECSA-N 0 1 583.710 5.348 40 10 KKCBMN O=C(COc1c(Cl)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Cl)Nc1ccc(Cl)c(Cl)c1 ZINC000408551753 572236850 /nfs/dbraw/zinc/23/68/50/572236850.db2.gz MIBVWEBLTQJVNI-PXNMLYILSA-N 0 1 595.291 6.149 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552125 572237764 /nfs/dbraw/zinc/23/77/64/572237764.db2.gz OMWJLQCJSDTUJB-ZDLGFXPLSA-N 0 1 696.350 5.846 40 10 KKCBMN O=C(COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Br)Nc1ccc(Cl)c(Cl)c1 ZINC000408554700 572242172 /nfs/dbraw/zinc/24/21/72/572242172.db2.gz SYDURURWMVVPGD-YVLHZVERSA-N 0 1 605.297 5.605 40 10 KKCBMN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1C(=O)NC1CCCCC1 ZINC000408583350 572265306 /nfs/dbraw/zinc/26/53/06/572265306.db2.gz HSCYVYKDMVQNTQ-UHFFFAOYSA-N 0 1 511.043 5.743 40 10 KKCBMN CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408586396 572266200 /nfs/dbraw/zinc/26/62/00/572266200.db2.gz OMMJRVLVIDCOKL-UHFFFAOYSA-N 0 1 569.466 6.676 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408843299 1069746240 /nfs/dbraw/zinc/74/62/40/1069746240.db2.gz DFALFEWYKFKEGE-OQLLNIDSSA-N 0 1 610.288 6.314 40 10 KKCBMN Cc1ccc(Sc2oc(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)cc2Br)cc1 ZINC000408912496 1069754277 /nfs/dbraw/zinc/75/42/77/1069754277.db2.gz HIDNHTKLTQPFHK-XNTDXEJSSA-N 0 1 517.401 5.472 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4Cl)c(Br)c3)C(=O)NC2=S)cc1 ZINC000409378294 1069807842 /nfs/dbraw/zinc/80/78/42/1069807842.db2.gz OPFJNQQNENXOSZ-DEDYPNTBSA-N 0 1 555.881 6.075 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408769254 1069875483 /nfs/dbraw/zinc/87/54/83/1069875483.db2.gz PXKSETNXKSIKFD-FYJGNVAPSA-N 0 1 598.462 5.327 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000408774971 1069891057 /nfs/dbraw/zinc/89/10/57/1069891057.db2.gz DVJIBYIICUJDGQ-RGVLZGJSSA-N 0 1 630.358 6.247 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000408778787 1069898440 /nfs/dbraw/zinc/89/84/40/1069898440.db2.gz KSJHWGZMNWXALI-RGVLZGJSSA-N 0 1 630.358 6.247 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408783787 1069910682 /nfs/dbraw/zinc/91/06/82/1069910682.db2.gz MWHNSKKDZVKTRM-IPPBACCNSA-N 0 1 570.158 7.047 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000408841769 1070045341 /nfs/dbraw/zinc/04/53/41/1070045341.db2.gz LCYFLUCJWDWPIY-OQLLNIDSSA-N 0 1 522.816 6.025 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1 ZINC000408844641 1070050184 /nfs/dbraw/zinc/05/01/84/1070050184.db2.gz KQORLUVMUZRUMR-FMIVXFBMSA-N 0 1 556.652 6.501 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(Br)cc1OCc1ccc(I)cc1 ZINC000408844711 1070051041 /nfs/dbraw/zinc/05/10/41/1070051041.db2.gz CVQVJWRHIVEKEY-CXUHLZMHSA-N 0 1 718.194 6.779 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1 ZINC000408853259 1070061025 /nfs/dbraw/zinc/06/10/25/1070061025.db2.gz QLPHRTNJMIRVCN-RIYZIHGNSA-N 0 1 678.162 7.315 40 10 KKCBMN Cc1ccc(NC(=O)Cn2cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)c3ccccc32)cc1 ZINC000408858597 1070069939 /nfs/dbraw/zinc/06/99/39/1070069939.db2.gz UIFROMJNSPTMNF-DEDYPNTBSA-N 0 1 563.466 5.727 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000408856600 1070067067 /nfs/dbraw/zinc/06/70/67/1070067067.db2.gz JGQOYIAXZUWWSF-MKMNVTDBSA-N 0 1 665.607 8.126 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000408854338 1070071797 /nfs/dbraw/zinc/07/17/97/1070071797.db2.gz CTIFDVOAVNTBFZ-LICLKQGHSA-N 0 1 552.266 6.711 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1 ZINC000408854641 1070072388 /nfs/dbraw/zinc/07/23/88/1070072388.db2.gz JPSVMHWIEOPAKF-OVCLIPMQSA-N 0 1 659.158 7.068 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408895003 1070145318 /nfs/dbraw/zinc/14/53/18/1070145318.db2.gz LLOZQWSEGZXNLZ-NDENLUEZSA-N 0 1 510.974 5.288 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408966761 1070332031 /nfs/dbraw/zinc/33/20/31/1070332031.db2.gz NYYSPKFKYRKNII-AFUMVMLFSA-N 0 1 638.946 7.059 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)[C@@H]7CCCC[C@@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)c(C)c1 ZINC000408987424 1070350078 /nfs/dbraw/zinc/35/00/78/1070350078.db2.gz AZZSWQTYRQYNFM-RCRQRPLWSA-N 0 1 697.820 6.483 40 10 KKCBMN CCOc1ccc2nc(Sc3ccc(/C=C4\C(=O)NC(=S)N(c5ccc(C)c(Cl)c5)C4=O)o3)sc2c1 ZINC000408991462 1070358517 /nfs/dbraw/zinc/35/85/17/1070358517.db2.gz OGUHKOPKEMPULE-GZTJUZNOSA-N 0 1 556.090 6.232 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)[C@@H]7CCCC[C@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1 ZINC000408992979 1070367622 /nfs/dbraw/zinc/36/76/22/1070367622.db2.gz UHVBFHIRIOQBQE-UZBYXMDDSA-N 0 1 683.793 6.175 40 10 KKCBMN O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1)OCc1ccccc1 ZINC000409003549 1070385129 /nfs/dbraw/zinc/38/51/29/1070385129.db2.gz SPIOEHRHYOKXRB-XETRRMDNSA-N 0 1 746.343 7.493 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc(Br)cc4)c3-c3ccccc3)C(=O)NC2=S)c(OC)c1 ZINC000409098408 1070531537 /nfs/dbraw/zinc/53/15/37/1070531537.db2.gz OQYJSRPFRQXLMY-USHMODERSA-N 0 1 664.581 7.422 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000409124822 1070552679 /nfs/dbraw/zinc/55/26/79/1070552679.db2.gz CSHQAZNHJYMAEF-YBFXNURJSA-N 0 1 542.886 5.958 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000409126885 1070554326 /nfs/dbraw/zinc/55/43/26/1070554326.db2.gz POLFTNQQICRHOA-WPWMEQJKSA-N 0 1 553.659 6.260 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4)c(OCC)c3)C2=O)cc1OC ZINC000409133664 1070558499 /nfs/dbraw/zinc/55/84/99/1070558499.db2.gz MXJYWVVQSRBFLQ-LFVJCYFKSA-N 0 1 544.604 5.124 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc(Br)c1OC(C)C ZINC000409147829 1070566176 /nfs/dbraw/zinc/56/61/76/1070566176.db2.gz WBRRFTSDWCAIIL-LICLKQGHSA-N 0 1 517.445 5.083 40 10 KKCBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Br)cc4Br)cc3)C(=O)NC2=S)c1 ZINC000409185245 1070604994 /nfs/dbraw/zinc/60/49/94/1070604994.db2.gz UUBFHELURCOFTJ-WSDLNYQXSA-N 0 1 600.332 6.239 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cccc(OCc4cccc(F)c4)c3)C2=O)cc1OCC ZINC000409191682 1070609132 /nfs/dbraw/zinc/60/91/32/1070609132.db2.gz KQGMIEIRQLJQNO-XYGWBWBKSA-N 0 1 532.568 5.254 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4ccccc4)c(OCC)c3)C2=O)cc1OCC ZINC000409192643 1070610711 /nfs/dbraw/zinc/61/07/11/1070610711.db2.gz DEIAHSIJUJSIQB-BUVRLJJBSA-N 0 1 684.527 6.118 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4Cl)c4ccccc34)C(=O)NC2=S)cc1Cl ZINC000409240860 1070656297 /nfs/dbraw/zinc/65/62/97/1070656297.db2.gz QGSUQSLAOHOSLX-CIAFOILYSA-N 0 1 520.441 6.136 40 10 KKCBMN CC(C)c1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(I)cc3)C(=O)NC2=S)cc1 ZINC000409241496 1070669241 /nfs/dbraw/zinc/66/92/41/1070669241.db2.gz NYWVGOMEMMANOP-KGENOOAVSA-N 0 1 541.414 5.037 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2Cl)c(Br)c1 ZINC000408879469 1070793392 /nfs/dbraw/zinc/79/33/92/1070793392.db2.gz GJSXVVAQBVUFJX-PDGQHHTCSA-N 0 1 527.827 5.513 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1Br ZINC000408878998 1070797723 /nfs/dbraw/zinc/79/77/23/1070797723.db2.gz DQFKKTBHWHVZRS-WQRHYEAKSA-N 0 1 557.853 5.521 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000408896959 1070827006 /nfs/dbraw/zinc/82/70/06/1070827006.db2.gz PGXQQVSJUWJLPE-UNOMPAQXSA-N 0 1 510.974 5.288 40 10 KKCBMN COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409348179 1070864871 /nfs/dbraw/zinc/86/48/71/1070864871.db2.gz RXBVQUYTSRIZAH-KEBDBYFISA-N 0 1 606.501 5.553 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000409382683 1070899825 /nfs/dbraw/zinc/89/98/25/1070899825.db2.gz PEJMVZUXQGLWRS-FYJGNVAPSA-N 0 1 599.934 6.474 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408889215 1070890486 /nfs/dbraw/zinc/89/04/86/1070890486.db2.gz AVHHZMDZZDUORY-XKZIYDEJSA-N 0 1 565.489 5.875 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409408152 1070926383 /nfs/dbraw/zinc/92/63/83/1070926383.db2.gz PRSFGWAXNQPMMK-GRSHGNNSSA-N 0 1 517.796 6.086 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408919392 1071120055 /nfs/dbraw/zinc/12/00/55/1071120055.db2.gz XGGDNDGSWZSSED-LSCVHKIXSA-N 0 1 610.288 6.314 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408917294 1071147702 /nfs/dbraw/zinc/14/77/02/1071147702.db2.gz QMORIIMIBWRQCY-OYKKKHCWSA-N 0 1 652.485 6.393 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(I)c1OCc1ccc2ccccc2c1 ZINC000408693918 1071389625 /nfs/dbraw/zinc/38/96/25/1071389625.db2.gz BNFPRMXFNXGZKS-OEAKJJBVSA-N 0 1 610.448 5.827 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000408692360 1071395316 /nfs/dbraw/zinc/39/53/16/1071395316.db2.gz KTRZHCUIPNSVKY-WGOQTCKBSA-N 0 1 501.558 5.217 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000408966818 1071407717 /nfs/dbraw/zinc/40/77/17/1071407717.db2.gz OHHBNUHPEGGHNZ-OQLLNIDSSA-N 0 1 522.816 6.025 40 10 KKCBMN O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1 ZINC000408966055 1071411798 /nfs/dbraw/zinc/41/17/98/1071411798.db2.gz LEWVOUNALBPFTK-UKTHLTGXSA-N 0 1 540.197 5.986 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408965950 1071412448 /nfs/dbraw/zinc/41/24/48/1071412448.db2.gz KJZJJFUDISUVMP-UVHMKAGCSA-N 0 1 588.148 7.186 40 10 KKCBMN COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(F)c(Cl)c4)C3=O)c2C)cc1Cl ZINC000408964587 1071417174 /nfs/dbraw/zinc/41/71/74/1071417174.db2.gz DSRLHTKFZNAQCW-GIJQJNRQSA-N 0 1 546.407 5.158 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000408964452 1071417922 /nfs/dbraw/zinc/41/79/22/1071417922.db2.gz CKYQVPQGTCNLCE-IWIPYMOSSA-N 0 1 530.024 6.385 40 10 KKCBMN O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1 ZINC000408967510 1071465726 /nfs/dbraw/zinc/46/57/26/1071465726.db2.gz SYSPCWDBEBFJEI-WUXMJOGZSA-N 0 1 540.743 5.785 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408723398 1071528295 /nfs/dbraw/zinc/52/82/95/1071528295.db2.gz UATGMGMKYUOPKZ-WSDLNYQXSA-N 0 1 703.385 7.560 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408723229 1071530306 /nfs/dbraw/zinc/53/03/06/1071530306.db2.gz RLRGVWCMMFXLJU-REZTVBANSA-N 0 1 675.215 7.872 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408722946 1071531724 /nfs/dbraw/zinc/53/17/24/1071531724.db2.gz ORHHOTRHGXYXMQ-VIZOYTHASA-N 0 1 729.292 6.437 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408722400 1071533342 /nfs/dbraw/zinc/53/33/42/1071533342.db2.gz IEXVLCXGSKZDGD-WSDLNYQXSA-N 0 1 656.385 7.718 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408722449 1071533874 /nfs/dbraw/zinc/53/38/74/1071533874.db2.gz JBLMICXNTWAILX-REZTVBANSA-N 0 1 722.215 7.714 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408721955 1071535613 /nfs/dbraw/zinc/53/56/13/1071535613.db2.gz BQZLOYGJKDVIGK-GIJQJNRQSA-N 0 1 592.298 6.175 40 10 KKCBMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(/N=N/c4ccccc4)cc3O)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000408735057 1071563147 /nfs/dbraw/zinc/56/31/47/1071563147.db2.gz NHKFUNFPPQADBX-GBYBJYLOSA-N 0 1 612.708 5.717 40 10 KKCBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(Sc4cccc5cccnc54)c([N+](=O)[O-])c3)C(=O)NC2=S)c1 ZINC000408992048 1071574634 /nfs/dbraw/zinc/57/46/34/1071574634.db2.gz QGZWUGPNPQWING-KGENOOAVSA-N 0 1 540.626 5.742 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(NC(=O)c6ccccc6C)cc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1Cl ZINC000408991966 1071576296 /nfs/dbraw/zinc/57/62/96/1071576296.db2.gz PJJMEXHHELBFID-YDZHTSKRSA-N 0 1 700.223 7.710 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(NC(=O)c6ccc(Cl)cc6)cc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1C ZINC000408991732 1071579109 /nfs/dbraw/zinc/57/91/09/1071579109.db2.gz PCBVWICEIKNSSL-ZVHZXABRSA-N 0 1 700.223 7.710 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(NC(=O)c6ccccc6)cc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1Cl ZINC000408991467 1071579479 /nfs/dbraw/zinc/57/94/79/1071579479.db2.gz OHIPHKIMDVCHDQ-LPYMAVHISA-N 0 1 686.196 7.401 40 10 KKCBMN CCOc1ccc2nc(Sc3ccc(/C=C4\C(=O)NC(=S)N(c5ccc(C)c(C)c5)C4=O)o3)sc2c1 ZINC000408990713 1071588217 /nfs/dbraw/zinc/58/82/17/1071588217.db2.gz LMRGMAUUOIHPNU-XDHOZWIPSA-N 0 1 535.672 5.887 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccc(N6C(=O)c7ccccc7C6=O)cc5s4)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1Cl ZINC000408990359 1071590207 /nfs/dbraw/zinc/59/02/07/1071590207.db2.gz KUBJODFUVUABOZ-WSDLNYQXSA-N 0 1 712.190 6.949 40 10 KKCBMN Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(/C=C5/C(=O)NC(=S)N(c6cccc(C)c6)C5=O)cc4[N+](=O)[O-])sc3c2)cc1 ZINC000408989769 1071594875 /nfs/dbraw/zinc/59/48/75/1071594875.db2.gz IVSROMKJUVLFRC-BUVRLJJBSA-N 0 1 665.778 7.056 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1 ZINC000408739808 1071601436 /nfs/dbraw/zinc/60/14/36/1071601436.db2.gz ARLAMHNMLQBEKS-VEILYXNESA-N 0 1 683.425 8.168 40 10 KKCBMN CCOc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4)c(Br)c3)C(=O)NC2=S)c1 ZINC000408739626 1071602183 /nfs/dbraw/zinc/60/21/83/1071602183.db2.gz DJLLEIJWFOSHRN-FYJGNVAPSA-N 0 1 537.435 5.258 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408744178 1071616147 /nfs/dbraw/zinc/61/61/47/1071616147.db2.gz XHHMRLPKEDEKOX-WPWMEQJKSA-N 0 1 568.680 6.293 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000408744074 1071616683 /nfs/dbraw/zinc/61/66/83/1071616683.db2.gz YOXRETMAIYPYPE-GDNBJRDFSA-N 0 1 522.207 5.847 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408743153 1071618938 /nfs/dbraw/zinc/61/89/38/1071618938.db2.gz UZUSRDHPJQLWGC-CNHKJKLMSA-N 0 1 671.194 6.937 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000408741947 1071622222 /nfs/dbraw/zinc/62/22/22/1071622222.db2.gz OJYBFLVDOOCLGR-MHWRWJLKSA-N 0 1 532.759 5.102 40 10 KKCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000408742173 1071622260 /nfs/dbraw/zinc/62/22/60/1071622260.db2.gz PYRKLQJYXZWMLD-NDENLUEZSA-N 0 1 528.859 5.650 40 10 KKCBMN Cc1cc(Br)ccc1N1C(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)C(=O)NC1=S ZINC000408741670 1071623758 /nfs/dbraw/zinc/62/37/58/1071623758.db2.gz NCKBNPAUDOQZFM-USHMODERSA-N 0 1 697.452 8.476 40 10 KKCBMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 ZINC000408741531 1071624606 /nfs/dbraw/zinc/62/46/06/1071624606.db2.gz JKHYNRWCKCVVGE-YBFXNURJSA-N 0 1 545.817 5.652 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408741542 1071625002 /nfs/dbraw/zinc/62/50/02/1071625002.db2.gz MPSRIVNMFSMMHA-UDWIEESQSA-N 0 1 630.358 6.329 40 10 KKCBMN CCOc1cccc(N2C(=O)/C(=C/c3cc(I)c(OCc4cccc5ccccc54)c(OC)c3)C(=O)NC2=S)c1 ZINC000408741254 1071626043 /nfs/dbraw/zinc/62/60/43/1071626043.db2.gz OWWUXXQWYHGENB-AFUMVMLFSA-N 0 1 664.521 6.262 40 10 KKCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408741274 1071626207 /nfs/dbraw/zinc/62/62/07/1071626207.db2.gz LDRBSNWLOIETEH-ZDLGFXPLSA-N 0 1 650.776 6.592 40 10 KKCBMN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)C(=O)NC1=S ZINC000408740381 1071630275 /nfs/dbraw/zinc/63/02/75/1071630275.db2.gz FXZSDOUQPXSSRM-VCHYOVAHSA-N 0 1 665.201 6.693 40 10 KKCBMN CCOc1cccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4cccc5ccccc54)c(OC)c3)C(=O)NC2=S)c1 ZINC000408740207 1071630757 /nfs/dbraw/zinc/63/07/57/1071630757.db2.gz DUPNHPLXGRBNTR-QFEZKATASA-N 0 1 617.521 6.420 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408740223 1071631414 /nfs/dbraw/zinc/63/14/14/1071631414.db2.gz DZOBTKMTLDCSBY-UDWIEESQSA-N 0 1 582.432 5.085 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408740098 1071632021 /nfs/dbraw/zinc/63/20/21/1071632021.db2.gz DHHGZQBATKXRCK-KEBDBYFISA-N 0 1 606.325 6.565 40 10 KKCBMN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)C(=O)NC1=S ZINC000408739967 1071632584 /nfs/dbraw/zinc/63/25/84/1071632584.db2.gz CBZOCPJSWCWRFC-YBFXNURJSA-N 0 1 604.295 6.069 40 10 KKCBMN Cc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(I)cc4)cc3)C(=O)NC2=S)c1C ZINC000408999494 1071654122 /nfs/dbraw/zinc/65/41/22/1071654122.db2.gz WSLPOPAZKHZKNX-HYARGMPZSA-N 0 1 568.436 5.318 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000409008792 1071698318 /nfs/dbraw/zinc/69/83/18/1071698318.db2.gz IDFWULFEIZEFNE-LPYMAVHISA-N 0 1 522.468 5.613 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1cccc(Br)c1 ZINC000409008919 1071697678 /nfs/dbraw/zinc/69/76/78/1071697678.db2.gz AGVAYNIUSRSMNG-WSDLNYQXSA-N 0 1 508.441 5.305 40 10 KKCBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3cn(Cc4ccc5ccccc5c4)c4ccccc34)C(=O)NC2=S)c1 ZINC000409008808 1071698816 /nfs/dbraw/zinc/69/88/16/1071698816.db2.gz IRGIHNIAXHELJR-OGLMXYFKSA-N 0 1 515.638 6.291 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3OCc3cccc4ccccc43)C(=O)NC2=S)cc1 ZINC000408759198 1071701977 /nfs/dbraw/zinc/70/19/77/1071701977.db2.gz ZOYMEVAJDUWLBN-XYGWBWBKSA-N 0 1 573.468 6.021 40 10 KKCBMN O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 ZINC000409021635 1071722645 /nfs/dbraw/zinc/72/26/45/1071722645.db2.gz REKFPEGBGMKCGQ-VEILYXNESA-N 0 1 588.620 6.690 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(OCc5ccccc5F)cc4)c3C)C(=O)NC2=S)cc1 ZINC000409020751 1071725629 /nfs/dbraw/zinc/72/56/29/1071725629.db2.gz SUKSACGZJBSLDO-WPWMEQJKSA-N 0 1 555.631 5.652 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Cl)c3)C(=O)NC2=S)cc1 ZINC000408774230 1071761674 /nfs/dbraw/zinc/76/16/74/1071761674.db2.gz BHHCAKTVSIMYSH-LICLKQGHSA-N 0 1 561.925 6.199 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000408773420 1071768245 /nfs/dbraw/zinc/76/82/45/1071768245.db2.gz KRCROFJOZJDSNC-UDWIEESQSA-N 0 1 604.853 5.364 40 10 KKCBMN CCOc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4sc5c(c4C(=O)OC)CCCC5)c3C)C(=O)NC2=S)c1 ZINC000408772271 1071775639 /nfs/dbraw/zinc/77/56/39/1071775639.db2.gz GBAWRWQBMAGFKH-HYARGMPZSA-N 0 1 563.701 5.051 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000408768723 1071798803 /nfs/dbraw/zinc/79/88/03/1071798803.db2.gz INFJHNNCXIJDPM-GZTJUZNOSA-N 0 1 596.277 5.837 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(I)cc4)c3C)C(=O)NC2=S)cc1 ZINC000408780336 1071824126 /nfs/dbraw/zinc/82/41/26/1071824126.db2.gz XNCUVSLMHKGMTA-HYARGMPZSA-N 0 1 555.441 5.092 40 10 KKCBMN O=C1C(=Cc2cc(Br)cc(Br)c2O)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000409045074 1071842628 /nfs/dbraw/zinc/84/26/28/1071842628.db2.gz YCHSSLMQVRQDGB-UHFFFAOYSA-N 0 1 542.183 5.501 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3cn(CCSc4ccc(Cl)cc4)c4ccccc34)C(=O)NC2=S)cc1C ZINC000408784844 1071862743 /nfs/dbraw/zinc/86/27/43/1071862743.db2.gz VTRGGKXJGMUITN-PCLIKHOPSA-N 0 1 546.117 6.535 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3cn(CCSc4ccc(Cl)cc4)c4ccccc34)C(=O)NC2=S)c(C)c1 ZINC000408782826 1071873704 /nfs/dbraw/zinc/87/37/04/1071873704.db2.gz ZITWTNQDVFEQHG-LFVJCYFKSA-N 0 1 546.117 6.535 40 10 KKCBMN COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=S)N(NC(=O)c2cccs2)C1=O ZINC000409327286 1072241035 /nfs/dbraw/zinc/24/10/35/1072241035.db2.gz IWIIIHOZOWVVKJ-SSDVNMTOSA-N 0 1 510.706 5.771 40 10 KKCBMN Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)NC1=S ZINC000409092810 1072258815 /nfs/dbraw/zinc/25/88/15/1072258815.db2.gz ZGARBAMFOZGKSB-XNTDXEJSSA-N 0 1 502.335 5.301 40 10 KKCBMN CN1CCN(c2ccc([N+](=O)[O-])cc2/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)CC1 ZINC000409108698 1072404074 /nfs/dbraw/zinc/40/40/74/1072404074.db2.gz VMEMHXLPTHMNDV-KOEQRZSOSA-N 0 1 577.663 5.144 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OC(C)C ZINC000409107411 1072414284 /nfs/dbraw/zinc/41/42/84/1072414284.db2.gz PLHUDZFCLXJSDN-OQLLNIDSSA-N 0 1 537.863 5.428 40 10 KKCBMN O=C(NN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC1=S)c1cccs1 ZINC000409346045 1072419746 /nfs/dbraw/zinc/41/97/46/1072419746.db2.gz MLJZEHAGYRXBLY-VXLYETTFSA-N 0 1 521.472 6.180 40 10 KKCBMN O=C(NN1C(=O)/C(=C\c2cc(I)c(OCc3ccccc3)c(I)c2)SC1=S)c1cccs1 ZINC000409344456 1072433383 /nfs/dbraw/zinc/43/33/83/1072433383.db2.gz JJTNGMFTCBSUQU-WOJGMQOQSA-N 0 1 704.374 6.083 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc5ccccc54)c(OCC)c3)C2=O)cc1OC ZINC000409126979 1072448141 /nfs/dbraw/zinc/44/81/41/1072448141.db2.gz CCEKINLBBIYSRN-MTDXEUNCSA-N 0 1 594.664 6.277 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)c(Cl)c3)C2=O)cc1OC ZINC000409126840 1072449740 /nfs/dbraw/zinc/44/97/40/1072449740.db2.gz CGHSMKTUNIETLK-LPYMAVHISA-N 0 1 552.986 5.518 40 10 KKCBMN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409341411 1072457233 /nfs/dbraw/zinc/45/72/33/1072457233.db2.gz BMQKCWALNAISND-UDWIEESQSA-N 0 1 656.976 6.530 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)Nc4ccc(Cl)cc4)c4ccccc34)C(=O)NC2=S)c(C)c1 ZINC000409125176 1072462914 /nfs/dbraw/zinc/46/29/14/1072462914.db2.gz DGYNKDBKNRGYIX-OEAKJJBVSA-N 0 1 543.048 5.382 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)cc(Cl)c3OS(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1OC ZINC000409125021 1072463925 /nfs/dbraw/zinc/46/39/25/1072463925.db2.gz IRXCSJDKFXUSAA-FYJGNVAPSA-N 0 1 653.924 5.874 40 10 KKCBMN Cc1cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409339946 1072472292 /nfs/dbraw/zinc/47/22/92/1072472292.db2.gz NDRKKQGPWVRKNH-ZDLGFXPLSA-N 0 1 507.584 5.721 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(Cl)cc4)c(Cl)c3)C2=O)cc1OC ZINC000409136660 1072477082 /nfs/dbraw/zinc/47/70/82/1072477082.db2.gz YCGDNMXQGQZRSY-FYJGNVAPSA-N 0 1 619.479 5.221 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Br)cc(Br)c3OCc3ccc(Br)cc3)C2=O)cc1OC ZINC000409136665 1072477117 /nfs/dbraw/zinc/47/71/17/1072477117.db2.gz SQKBQXNTSVJKHS-LPYMAVHISA-N 0 1 737.239 7.013 40 10 KKCBMN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409338831 1072481376 /nfs/dbraw/zinc/48/13/76/1072481376.db2.gz BVJUDBOYEOAIPO-KEBDBYFISA-N 0 1 691.421 7.183 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Cl)cc(Cl)c3OCc3ccccc3F)C2=O)cc1OC ZINC000409135409 1072484161 /nfs/dbraw/zinc/48/41/61/1072484161.db2.gz VEVQQZNPYOZBMY-FYJGNVAPSA-N 0 1 587.431 6.171 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Br)cc(Br)c3OCc3ccccc3Cl)C2=O)cc1OC ZINC000409135460 1072484858 /nfs/dbraw/zinc/48/48/58/1072484858.db2.gz RCXWXAMUAFCDQX-FYJGNVAPSA-N 0 1 692.788 6.903 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)C2=O)cc1OC ZINC000409135324 1072485348 /nfs/dbraw/zinc/48/53/48/1072485348.db2.gz YJTVQIUBGYXPKX-LPYMAVHISA-N 0 1 579.993 5.287 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C)cc4)c(OCC)c3)C2=O)cc1OC ZINC000409133740 1072497036 /nfs/dbraw/zinc/49/70/36/1072497036.db2.gz REPHZQVBZQVQRM-PCLIKHOPSA-N 0 1 558.631 5.432 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4cccc5ccccc54)c(Br)c3)C2=O)cc1OC ZINC000409142614 1072546360 /nfs/dbraw/zinc/54/63/60/1072546360.db2.gz LYZHLIQUBZKMSW-AFUMVMLFSA-N 0 1 708.403 7.403 40 10 KKCBMN O=C(NN1C(=O)/C(=C\c2ccc(OCc3ccccc3)c(Br)c2)SC1=S)c1cccs1 ZINC000409349665 1072548389 /nfs/dbraw/zinc/54/83/89/1072548389.db2.gz QKHSXMHGZOXADX-XDHOZWIPSA-N 0 1 531.478 5.636 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4cccc5ccccc54)c(OC)c3)C2=O)cc1OC ZINC000409141174 1072554910 /nfs/dbraw/zinc/55/49/10/1072554910.db2.gz HRUTXNFGIUVQNV-CVKSISIWSA-N 0 1 659.533 6.649 40 10 KKCBMN O=C(NN1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)SC1=S)c1cccs1 ZINC000409347896 1072560669 /nfs/dbraw/zinc/56/06/69/1072560669.db2.gz NKYIBVMISDVOIJ-ODLFYWEKSA-N 0 1 549.468 5.775 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4cccc(F)c4)c(OC)c3)C2=O)cc1OC ZINC000409140108 1072561016 /nfs/dbraw/zinc/56/10/16/1072561016.db2.gz CWBLMEWAUOKLJT-WSDLNYQXSA-N 0 1 674.463 5.477 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)C2=O)cc1OC ZINC000409147134 1072577210 /nfs/dbraw/zinc/57/72/10/1072577210.db2.gz UYSAOFZHGPXJFB-WSDLNYQXSA-N 0 1 599.467 6.040 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])c(Cl)c4)c3C)C(=O)NC2=S)cc1 ZINC000409376513 1072628947 /nfs/dbraw/zinc/62/89/47/1072628947.db2.gz BMHFWELIDUNLAP-UDWIEESQSA-N 0 1 508.987 5.049 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Br)cc4)c(I)c3)C(=O)NC2=S)cc1 ZINC000409376209 1072629992 /nfs/dbraw/zinc/62/99/92/1072629992.db2.gz VZFKDPVNXIRNCD-FYJGNVAPSA-N 0 1 647.332 6.026 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000409370466 1072653519 /nfs/dbraw/zinc/65/35/19/1072653519.db2.gz RIBIXJNLFFRUQQ-HZHRSRAPSA-N 0 1 504.583 5.197 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1ccc2ccccc2c1 ZINC000409379316 1072671051 /nfs/dbraw/zinc/67/10/51/1072671051.db2.gz WSGUQJTZHXSSQN-WGOQTCKBSA-N 0 1 662.549 6.816 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OCC(=O)Nc4ccc(C)cc4)cc3Br)C(=O)NC2=S)cc1 ZINC000409379125 1072671434 /nfs/dbraw/zinc/67/14/34/1072671434.db2.gz UMPZCBINGACRAD-LPYMAVHISA-N 0 1 608.514 5.177 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(OCc5ccc(Cl)cc5)cc4)c3C)C(=O)NC2=S)cc1 ZINC000409378937 1072671998 /nfs/dbraw/zinc/67/19/98/1072671998.db2.gz SPXXMSJERMSQQQ-RDRPBHBLSA-N 0 1 570.114 6.720 40 10 KKCBMN Cc1ccc(NC(=O)COc2cccc(/C=C3\C(=O)NC(=S)N(c4ccc(Br)cc4C)C3=O)c2)cc1C ZINC000409386553 1072685627 /nfs/dbraw/zinc/68/56/27/1072685627.db2.gz MQTJWKSEYPELKY-OEAKJJBVSA-N 0 1 578.488 5.223 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409386539 1072685660 /nfs/dbraw/zinc/68/56/60/1072685660.db2.gz MJGNWFYFGNNNTJ-SRZZPIQSSA-N 0 1 634.379 7.127 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCC(=O)Nc4ccc(C)cc4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409386220 1072689009 /nfs/dbraw/zinc/68/90/09/1072689009.db2.gz LUQJTRSAWZYDGZ-LPYMAVHISA-N 0 1 608.514 5.177 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1 ZINC000409385745 1072691674 /nfs/dbraw/zinc/69/16/74/1072691674.db2.gz IOEUDNCGGOCWRN-HYARGMPZSA-N 0 1 655.514 5.101 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000409385785 1072692081 /nfs/dbraw/zinc/69/20/81/1072692081.db2.gz JBORMABEXMFPJY-HZHRSRAPSA-N 0 1 565.489 5.821 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(OCc5ccccc5)cc4)c3C)C(=O)NC2=S)cc1 ZINC000409384793 1072696275 /nfs/dbraw/zinc/69/62/75/1072696275.db2.gz FRGKUEKQMUDKGH-VUTHCHCSSA-N 0 1 535.669 6.067 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCc1cccc(F)c1 ZINC000409383505 1072701921 /nfs/dbraw/zinc/70/19/21/1072701921.db2.gz ZEFLXYWZMSITSQ-HZHRSRAPSA-N 0 1 504.583 5.197 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccc(C)cc4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409383372 1072702874 /nfs/dbraw/zinc/70/28/74/1072702874.db2.gz WWERKMMETDPKLM-LPYMAVHISA-N 0 1 612.489 5.581 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1ccccc1F ZINC000409382775 1072705140 /nfs/dbraw/zinc/70/51/40/1072705140.db2.gz QWGJXEDYJFWHLI-FYJGNVAPSA-N 0 1 630.479 5.802 40 10 KKCBMN O=C(COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1Cl)Nc1ccccc1F ZINC000409381972 1072709345 /nfs/dbraw/zinc/70/93/45/1072709345.db2.gz JIXWZBJFGAVZHJ-GXDHUFHOSA-N 0 1 578.836 5.635 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409381662 1072710839 /nfs/dbraw/zinc/71/08/39/1072710839.db2.gz IFXZXLZWRMTDCG-LPYMAVHISA-N 0 1 599.934 6.474 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4cccc(F)c4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409380720 1072715958 /nfs/dbraw/zinc/71/59/58/1072715958.db2.gz BSOMEZZKLDZWJV-CIAFOILYSA-N 0 1 616.452 5.412 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccccc4F)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409380536 1072718192 /nfs/dbraw/zinc/71/81/92/1072718192.db2.gz NINVZOXDULXMQI-UDWIEESQSA-N 0 1 616.452 5.412 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccccc1Cl ZINC000409380109 1072718714 /nfs/dbraw/zinc/71/87/14/1072718714.db2.gz IDHDLFSDZXOZLI-PXLXIMEGSA-N 0 1 521.038 5.711 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000409379490 1072723211 /nfs/dbraw/zinc/72/32/11/1072723211.db2.gz YFABHSQPQQTARX-OEAKJJBVSA-N 0 1 535.065 6.020 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)c(I)c3)C(=O)NC2=S)cc1 ZINC000409387547 1072742340 /nfs/dbraw/zinc/74/23/40/1072742340.db2.gz RIXURJZSOAUEHQ-FYJGNVAPSA-N 0 1 602.881 5.917 40 10 KKCBMN CN(C)c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(OCc2ccc(Br)cc2Br)c1 ZINC000409399823 1072747749 /nfs/dbraw/zinc/74/77/49/1072747749.db2.gz NBZQFEOGAOGTRQ-MTJSOVHGSA-N 0 1 571.269 5.318 40 10 KKCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000409399789 1072748173 /nfs/dbraw/zinc/74/81/73/1072748173.db2.gz MJNYKKVWLDWBJX-YVLHZVERSA-N 0 1 518.194 5.796 40 10 KKCBMN COc1cc(Br)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409407146 1072754800 /nfs/dbraw/zinc/75/48/00/1072754800.db2.gz LGBJKVNCMZZKJT-WOJGMQOQSA-N 0 1 548.220 5.805 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2Br)cc1 ZINC000409186845 1072761208 /nfs/dbraw/zinc/76/12/08/1072761208.db2.gz IOULFPCIKUNCBW-KEBDBYFISA-N 0 1 651.174 6.384 40 10 KKCBMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2Br)cc1 ZINC000409186519 1072761809 /nfs/dbraw/zinc/76/18/09/1072761809.db2.gz DEXDZFWDOQENGP-RGVLZGJSSA-N 0 1 606.723 6.275 40 10 KKCBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000409404036 1072769010 /nfs/dbraw/zinc/76/90/10/1072769010.db2.gz BMRRLBBCSIZTQK-YVLHZVERSA-N 0 1 548.220 5.805 40 10 KKCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1c(OCc2ccc(Br)cc2Br)ccc2ccccc21 ZINC000409401756 1072779722 /nfs/dbraw/zinc/77/97/22/1072779722.db2.gz ZSJKXTKLHBJKKZ-HAHDFKILSA-N 0 1 578.260 6.405 40 10 KKCBMN C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc([N+](=O)[O-])cc(OC)c2O)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183913 1072779898 /nfs/dbraw/zinc/77/98/98/1072779898.db2.gz UZFQWKZMMBPFQM-SOXXOOEDSA-N 0 1 638.702 5.702 40 10 KKCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1 ZINC000409400853 1072782906 /nfs/dbraw/zinc/78/29/06/1072782906.db2.gz UPTWXMPZLLHHFA-YVLHZVERSA-N 0 1 565.194 5.638 40 10 KKCBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000409409475 1072810088 /nfs/dbraw/zinc/81/00/88/1072810088.db2.gz VNJRCINKKHNKTQ-ODLFYWEKSA-N 0 1 558.226 5.261 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccccc4)c(OC)c3)C2=O)cc1OCC ZINC000409196020 1072833688 /nfs/dbraw/zinc/83/36/88/1072833688.db2.gz YGOGSEGSGQHIMT-OEAKJJBVSA-N 0 1 579.049 5.777 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4ccccc4F)c(OCC)c3)C2=O)cc1OCC ZINC000409191668 1072860750 /nfs/dbraw/zinc/86/07/50/1072860750.db2.gz KHUHLJIKYVQJKV-OEAKJJBVSA-N 0 1 702.517 6.258 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Cl)cc(Cl)c3OCc3ccc(C)cc3)C2=O)cc1OCC ZINC000409191758 1072861510 /nfs/dbraw/zinc/86/15/10/1072861510.db2.gz MLCJICBJUHIQAT-BUVRLJJBSA-N 0 1 597.495 6.730 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccccc4F)c(OC)c3)C2=O)cc1OCC ZINC000409191047 1072864618 /nfs/dbraw/zinc/86/46/18/1072864618.db2.gz ZCXPUUGTBVRSDN-LPYMAVHISA-N 0 1 641.490 6.025 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4)c(Cl)c3)C2=O)cc1OCC ZINC000409191091 1072864656 /nfs/dbraw/zinc/86/46/56/1072864656.db2.gz ZTFCZQXSNDASBE-HZHRSRAPSA-N 0 1 549.023 5.769 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)c(Cl)c3)C2=O)cc1OCC ZINC000409189994 1072873278 /nfs/dbraw/zinc/87/32/78/1072873278.db2.gz PKQQGUVANNCIES-OEAKJJBVSA-N 0 1 567.013 5.908 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4cccc(Cl)c4)c(OCC)c3)C2=O)cc1OCC ZINC000409189420 1072877109 /nfs/dbraw/zinc/87/71/09/1072877109.db2.gz GJKQCGSMPMMYQT-ZVHZXABRSA-N 0 1 627.521 6.821 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccccc4)c(OCC)c3)C2=O)cc1OCC ZINC000409189198 1072877722 /nfs/dbraw/zinc/87/77/22/1072877722.db2.gz FKDDCOWFWWMJGW-BUVRLJJBSA-N 0 1 593.076 6.167 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Br)cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409188803 1072881063 /nfs/dbraw/zinc/88/10/63/1072881063.db2.gz GIPODMQRUJEYAY-PCLIKHOPSA-N 0 1 637.527 6.276 40 10 KKCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3c(OCc4ccccc4Cl)ccc4ccccc43)C2=O)cc1OCC ZINC000409187728 1072885101 /nfs/dbraw/zinc/88/51/01/1072885101.db2.gz AZERUTAVINQHSL-ZXVVBBHZSA-N 0 1 599.083 6.922 40 10 KKCBMN COc1cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000409200308 1072922838 /nfs/dbraw/zinc/92/28/38/1072922838.db2.gz KPLRDRGSNNBCQG-NDENLUEZSA-N 0 1 622.531 5.795 40 10 KKCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cn(Cc2ccccc2)c2ccccc12 ZINC000409226315 1072975054 /nfs/dbraw/zinc/97/50/54/1072975054.db2.gz MVQOMQVHEXGLPN-LPYMAVHISA-N 0 1 505.521 5.540 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000409225301 1072979764 /nfs/dbraw/zinc/97/97/64/1072979764.db2.gz KKSIWLFCPBWPJV-JVWAILMASA-N 0 1 581.654 6.144 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C(=O)NC2=S)cc1Cl ZINC000409222391 1072993919 /nfs/dbraw/zinc/99/39/19/1072993919.db2.gz WYBKSUVHGAMYPY-MHWRWJLKSA-N 0 1 502.335 5.301 40 10 KKCBMN Cc1ccc(-c2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4Cl)C3=O)o2)c(Br)c1 ZINC000409221419 1072998643 /nfs/dbraw/zinc/99/86/43/1072998643.db2.gz PYVVKSYDYDFCTI-PTNGSMBKSA-N 0 1 501.789 5.502 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409220775 1073003388 /nfs/dbraw/zinc/00/33/88/1073003388.db2.gz FOXQZJCPMDPHFZ-RDRPBHBLSA-N 0 1 596.734 7.108 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409220651 1073004535 /nfs/dbraw/zinc/00/45/35/1073004535.db2.gz CSUONFKLBREOKZ-PCLIKHOPSA-N 0 1 576.505 6.811 40 10 KKCBMN CC(C)c1ccc(N2C(=O)/C(=C/c3cn(CC(=O)Nc4ccccc4)c4ccccc34)C(=O)NC2=S)cc1 ZINC000409229239 1073022681 /nfs/dbraw/zinc/02/26/81/1073022681.db2.gz LYAQGFSIGCKCKT-PCLIKHOPSA-N 0 1 522.630 5.235 40 10 KKCBMN CC[C@H](C)Oc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc1OC ZINC000409229260 1073022727 /nfs/dbraw/zinc/02/27/27/1073022727.db2.gz MGNVJXYLQXLJHB-ADFUCPMPSA-N 0 1 517.445 5.083 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000409229003 1073022874 /nfs/dbraw/zinc/02/28/74/1073022874.db2.gz IIKNLFOSGNHAOD-RGVLZGJSSA-N 0 1 542.886 5.958 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000409228928 1073024793 /nfs/dbraw/zinc/02/47/93/1073024793.db2.gz HHNYHPPAJOUDQP-DEDYPNTBSA-N 0 1 508.441 5.305 40 10 KKCBMN CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(C)C)cc4)C3=O)c2C)cc1 ZINC000409228786 1073025416 /nfs/dbraw/zinc/02/54/16/1073025416.db2.gz FCRFDINETZRRSW-PCLIKHOPSA-N 0 1 515.635 5.226 40 10 KKCBMN CC(C)c1ccc(N2C(=O)/C(=C/c3cn(Cc4cccc([N+](=O)[O-])c4)c4ccccc34)C(=O)NC2=S)cc1 ZINC000409227842 1073029883 /nfs/dbraw/zinc/02/98/83/1073029883.db2.gz RTZBFOIVTYQHRQ-MFKUBSTISA-N 0 1 524.602 5.553 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000409236178 1073040061 /nfs/dbraw/zinc/04/00/61/1073040061.db2.gz DSQAHOCFADXTMU-RDRPBHBLSA-N 0 1 567.686 6.767 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(Br)c1OC(C)C ZINC000409235978 1073041901 /nfs/dbraw/zinc/04/19/01/1073041901.db2.gz QYBYWOZMMQGIOS-LZYBPNLTSA-N 0 1 557.388 5.485 40 10 KKCBMN CC(C)c1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)C(=O)NC2=S)cc1 ZINC000409235323 1073044669 /nfs/dbraw/zinc/04/46/69/1073044669.db2.gz OTIGOQCXNFNJLK-YQYKVWLJSA-N 0 1 612.711 7.674 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1cc(Cl)ccc1Cl ZINC000409232299 1073062264 /nfs/dbraw/zinc/06/22/64/1073062264.db2.gz NTLKHULYGALOPQ-GIJQJNRQSA-N 0 1 538.378 6.251 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1 ZINC000409247291 1073071302 /nfs/dbraw/zinc/07/13/02/1073071302.db2.gz MCNRQLBFKDWVPY-JLHYYAGUSA-N 0 1 522.207 5.847 40 10 KKCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000409246109 1073078333 /nfs/dbraw/zinc/07/83/33/1073078333.db2.gz FBSXRDFZUZLUGU-UDWIEESQSA-N 0 1 518.969 6.341 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(Cl)c1OC(C)C ZINC000409238635 1073118403 /nfs/dbraw/zinc/11/84/03/1073118403.db2.gz LIXODXBPZVETSI-LZYBPNLTSA-N 0 1 512.937 5.376 40 10 KKCBMN CC[C@H](C)Oc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OC ZINC000409238609 1073119921 /nfs/dbraw/zinc/11/99/21/1073119921.db2.gz KLYRGDJVZCEFFN-WIJRQFRKSA-N 0 1 557.388 5.485 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000409249808 1073139644 /nfs/dbraw/zinc/13/96/44/1073139644.db2.gz OWOLIPNUYWHSKP-BUVRLJJBSA-N 0 1 553.600 5.329 40 10 KKCBMN Cc1ccccc1NC(=O)COc1c(Cl)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Cl ZINC000409255376 1073156682 /nfs/dbraw/zinc/15/66/82/1073156682.db2.gz HMWOTSGTRMCAKA-WQRHYEAKSA-N 0 1 540.428 5.151 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1C ZINC000409257163 1073158631 /nfs/dbraw/zinc/15/86/31/1073158631.db2.gz RGSPFXXEHGARKG-BKUYFWCQSA-N 0 1 608.514 5.313 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409254159 1073175197 /nfs/dbraw/zinc/17/51/97/1073175197.db2.gz HWHOSOCDBDIAPP-NDENLUEZSA-N 0 1 570.454 5.241 40 10 KKCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000409252998 1073183874 /nfs/dbraw/zinc/18/38/74/1073183874.db2.gz YJFYWHDHIAVWBO-CVKSISIWSA-N 0 1 590.532 7.120 40 10 KKCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000409251896 1073191422 /nfs/dbraw/zinc/19/14/22/1073191422.db2.gz QWZYKGRAYKJNBG-YBEGLDIGSA-N 0 1 566.311 5.467 40 10 KKCBMN Cc1cccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2Cl)c1 ZINC000409266744 1073199687 /nfs/dbraw/zinc/19/96/87/1073199687.db2.gz KYKLGTYLTZRLGB-ODLFYWEKSA-N 0 1 540.428 5.151 40 10 KKCBMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc2c(c1)CCN2Cc1ccccc1Cl ZINC000002605352 1073200557 /nfs/dbraw/zinc/20/05/57/1073200557.db2.gz RYXVAXMUXRVZPF-STZFKDTASA-N 0 1 508.430 5.799 40 10 KKCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)C1=Cc1ccc2c(c1)CCCN2Cc1ccccc1 ZINC000033925801 1073208476 /nfs/dbraw/zinc/20/84/76/1073208476.db2.gz SUSFWEQZQALULC-HAHDFKILSA-N 0 1 521.564 6.330 40 10 KKCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409382509 195515247 /nfs/dbraw/zinc/51/52/47/195515247.db2.gz NYEPLZOYYVVGOR-HYARGMPZSA-N 0 1 507.011 5.321 40 10 KKCBMN C[N@@H+](Cc1cc(C(C)(C)C)cc(Br)c1[O-])Cc1cc(C(C)(C)C)cc(Br)c1O ZINC000001681099 551689010 /nfs/dbraw/zinc/68/90/10/551689010.db2.gz PYYGJCYIQDJBDR-UHFFFAOYSA-N 0 1 513.314 6.850 40 10 in-vitro KKCBMN C[N@H+](Cc1cc(C(C)(C)C)cc(Br)c1[O-])Cc1cc(C(C)(C)C)cc(Br)c1O ZINC000001681099 551689013 /nfs/dbraw/zinc/68/90/13/551689013.db2.gz PYYGJCYIQDJBDR-UHFFFAOYSA-N 0 1 513.314 6.850 40 10 in-vitro KKCBMN CC(=O)NCCc1[nH]c(N=Nc2ccc(Br)cc2)nc1N=Nc1ccc(Br)cc1 ZINC000004771935 552481518 /nfs/dbraw/zinc/48/15/18/552481518.db2.gz SXIGKALKFGSRBE-NBHCHVEOSA-N 0 1 519.201 6.444 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCCSc1cccc2ccccc21 ZINC000008860768 553170302 /nfs/dbraw/zinc/17/03/02/553170302.db2.gz UCYDSAGFZJICLJ-PLRJNAJWSA-N 0 1 510.615 5.871 40 10 KKCBMN CN(C)c1ccc([C@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000020192110 553606193 /nfs/dbraw/zinc/60/61/93/553606193.db2.gz TYLSPKYIYXNCON-SSEXGKCCSA-N 0 1 517.733 7.104 40 10 KKCBMN CC(Nc1ccc(-c2nc3ccc(C)cc3s2)cc1)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 ZINC000020288327 553632988 /nfs/dbraw/zinc/63/29/88/553632988.db2.gz QELQXDYHIWZXEM-RRAHZORUSA-N 0 1 518.617 7.548 40 10 KKCBMN Cc1ccc(Sc2ccc(/C=C3\SC(=S)N(NC(=O)c4cccs4)C3=O)cc2[N+](=O)[O-])cc1 ZINC000032124765 553865929 /nfs/dbraw/zinc/86/59/29/553865929.db2.gz JWCWYAWUHKQCPS-UNOMPAQXSA-N 0 1 513.647 5.662 40 10 KKCBMN Cc1ccc(N2C(=O)/C(=C\c3cc(Br)cc(Br)c3O)C(=O)N(c3cccc4ccccc43)C2=O)cc1 ZINC000100136999 554226968 /nfs/dbraw/zinc/22/69/68/554226968.db2.gz UXJGZTSKDNGMFF-HYARGMPZSA-N 0 1 606.270 6.962 40 10 KKCBMN CCOc1ccc2nc(Sc3ccc(/C=C4\C(=O)NC(=O)N(Cc5ccccc5)C4=O)cc3[N+](=O)[O-])sc2c1 ZINC000100247601 554261269 /nfs/dbraw/zinc/26/12/69/554261269.db2.gz XLCJPOSIIOZISM-UNOMPAQXSA-N 0 1 560.613 5.416 40 10 KKCBMN COc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1Br ZINC000100286065 554280201 /nfs/dbraw/zinc/28/02/01/554280201.db2.gz TTZVRFCJXNBMKV-ONNFQVAWSA-N 0 1 565.070 5.358 40 10 KKCBMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C(C)(C)C)cc1)N2 ZINC000058849697 554369504 /nfs/dbraw/zinc/36/95/04/554369504.db2.gz PKBSZGKBZSGBQE-SXDGJLEOSA-N 0 1 523.098 7.273 40 10 KKCBMN Cc1ccc(COc2c(Cl)cc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)cc2Cl)cc1 ZINC000059136052 554381925 /nfs/dbraw/zinc/38/19/25/554381925.db2.gz YWNSGGZOWPTOKP-LICLKQGHSA-N 0 1 515.393 6.692 40 10 KKCBMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2Br)cc1 ZINC000101724120 554832771 /nfs/dbraw/zinc/83/27/71/554832771.db2.gz SLIXSGYJSQNDSW-KEBDBYFISA-N 0 1 606.723 6.275 40 10 KKCBMN CCOC(=O)c1c(C)c(C)sc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1C ZINC000101728281 554832983 /nfs/dbraw/zinc/83/29/83/554832983.db2.gz VVKOCEUFACTXBF-VCHYOVAHSA-N 0 1 560.072 5.573 40 10 KKCBMN COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C(=O)NC2=S)c(OC)c1 ZINC000103780829 555476186 /nfs/dbraw/zinc/47/61/86/555476186.db2.gz KVAHJWNURDTYFM-ZDLGFXPLSA-N 0 1 530.433 5.249 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000103852519 571365476 /nfs/dbraw/zinc/36/54/76/571365476.db2.gz WPFDYUMPYPJRHK-WOJGMQOQSA-N 0 1 589.870 6.051 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000103852508 571365490 /nfs/dbraw/zinc/36/54/90/571365490.db2.gz ZLSGHYLOIDWTHY-RQZCQDPDSA-N 0 1 579.864 6.595 40 10 KKCBMN CC(=O)NCCc1[nH]c(N=Nc2ccc(Br)cc2)nc1N=Nc1ccc(Br)cc1 ZINC000104182367 571376068 /nfs/dbraw/zinc/37/60/68/571376068.db2.gz SXIGKALKFGSRBE-ZQZMJUSDSA-N 0 1 519.201 6.444 40 10 KKCBMN COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000103920134 571369717 /nfs/dbraw/zinc/36/97/17/571369717.db2.gz GDTXAUSPMSMSFS-IMRQLAEWSA-N 0 1 526.618 5.932 40 10 KKCBMN COc1cc(NN=C2C=C(CN(C)C)C(=O)c3ncccc32)c(OC)cc1N=Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000104226089 571377394 /nfs/dbraw/zinc/37/73/94/571377394.db2.gz BHYQQKVAXFPODQ-SSXVINJQSA-N 0 1 584.420 8.065 40 10 KKCBMN COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc4c(cc2Br)OCO4)N3)c1 ZINC000104649622 571382907 /nfs/dbraw/zinc/38/29/07/571382907.db2.gz OEOFKRMWFNFUBD-WNGDZKDKSA-N 0 1 585.476 5.822 40 10 KKCBMN COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OCc4ccc([N+](=O)[O-])cc4)cc2)N3)c1 ZINC000104649630 571382928 /nfs/dbraw/zinc/38/29/28/571382928.db2.gz YFXFFVFFLWBBOB-QSOCVKKASA-N 0 1 613.692 6.818 40 10 KKCBMN CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(OC)ccc4OC)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000104649617 571382980 /nfs/dbraw/zinc/38/29/80/571382980.db2.gz DESPTDJGPBKKKV-DDFCPOBKSA-N 0 1 550.677 6.129 40 10 KKCBMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 ZINC000104649869 571383137 /nfs/dbraw/zinc/38/31/37/571383137.db2.gz VEUUQFKMCIGBID-ZDXGUKGBSA-N 0 1 589.895 6.467 40 10 KKCBMN CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)ccc4OC)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000104649861 571383166 /nfs/dbraw/zinc/38/31/66/571383166.db2.gz LUBXWAWATHYWCG-DKGMKSHISA-N 0 1 555.096 6.773 40 10 KKCBMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)N2 ZINC000104649876 571383188 /nfs/dbraw/zinc/38/31/88/571383188.db2.gz CTBLIDXIZMXIAV-PYYUSEHKSA-N 0 1 618.111 7.463 40 10 KKCBMN COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)ccc4OC)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000104649822 571383194 /nfs/dbraw/zinc/38/31/94/571383194.db2.gz QGPYDHNLGGFZRO-LZCXECNNSA-N 0 1 525.026 5.763 40 10 KKCBMN O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(Cc2c(F)cccc2Cl)c2ccc(Br)cc12 ZINC000104882078 571387032 /nfs/dbraw/zinc/38/70/32/571387032.db2.gz CNZJTIBWUFIBRH-YBFXNURJSA-N 0 1 558.835 6.039 40 10 KKCBMN O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(Cc2ccccc2F)c2ccc(Br)cc12 ZINC000104882072 571387067 /nfs/dbraw/zinc/38/70/67/571387067.db2.gz GQOOEKBYUCBSNB-CIAFOILYSA-N 0 1 524.390 5.386 40 10 KKCBMN O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(CCOc2ccccc2)c2ccc(Br)cc12 ZINC000104882084 571387074 /nfs/dbraw/zinc/38/70/74/571387074.db2.gz KTNZYCODLGNKRG-HZHRSRAPSA-N 0 1 536.426 5.277 40 10 KKCBMN O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(CCOc2ccccc2F)c2ccc(Br)cc12 ZINC000104882116 571387143 /nfs/dbraw/zinc/38/71/43/571387143.db2.gz QPVMWSSHBLCHSV-KGENOOAVSA-N 0 1 554.416 5.416 40 10 KKCBMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(I)c(OCc2ccccc2)c(I)c1 ZINC000150371151 571465783 /nfs/dbraw/zinc/46/57/83/571465783.db2.gz NQFOBMPCXXLOGF-VCHYOVAHSA-N 0 1 745.174 6.069 40 10 KKCBMN Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C1=O)[C@H](C)CC(C)(C)N2C(C)C ZINC000223609949 571513219 /nfs/dbraw/zinc/51/32/19/571513219.db2.gz BUSXCCMGRGKDAH-PUMYGXPMSA-N 0 1 530.521 6.634 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(I)c1 ZINC000164393818 571546948 /nfs/dbraw/zinc/54/69/48/571546948.db2.gz OCILEDCXZVSGQW-VIZOYTHASA-N 0 1 706.158 6.910 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(I)c1 ZINC000164395852 571547044 /nfs/dbraw/zinc/54/70/44/571547044.db2.gz VNDVBOKOTKAUDR-UDWIEESQSA-N 0 1 687.328 6.756 40 10 KKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1 ZINC000164396364 571547066 /nfs/dbraw/zinc/54/70/66/571547066.db2.gz IKZYARYFSLSNKD-CXUHLZMHSA-N 0 1 627.262 6.147 40 10 KKCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000164406734 571547419 /nfs/dbraw/zinc/54/74/19/571547419.db2.gz DUXKAMDDMIPTRQ-WOJGMQOQSA-N 0 1 647.422 5.148 40 10 KKCBMN CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)cc2C(C)=CC1(C)C ZINC000208518862 571574621 /nfs/dbraw/zinc/57/46/21/571574621.db2.gz MDEKEZFKCKPMSY-LDADJPATSA-N 0 1 514.478 6.155 40 10 KKCBMN O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1 ZINC000225747867 572059912 /nfs/dbraw/zinc/05/99/12/572059912.db2.gz YCZIQCKPTBNZBD-UHFFFAOYSA-N 0 1 535.046 5.797 40 10 KKCBMN O=C(c1ccccc1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccc(Cl)cc1 ZINC000225793677 572069576 /nfs/dbraw/zinc/06/95/76/572069576.db2.gz VUTAHWCRWCKTOT-UHFFFAOYSA-N 0 1 535.046 5.797 40 10 KKCBMN Cc1[nH]n(-c2ccc(Br)c(C)c2C)c(=O)c1C=Nc1ncc(Br)cc1Br ZINC000408531802 572177619 /nfs/dbraw/zinc/17/76/19/572177619.db2.gz LSENEJXBRBYFEF-JYRVWZFOSA-N 0 1 543.057 5.704 40 10 KKCBMN CC1=NN(c2ccc(I)cc2)C(=O)C1=CNc1ccc(Br)cc1Cl ZINC000408533268 572182657 /nfs/dbraw/zinc/18/26/57/572182657.db2.gz OICCGLGICSZIOH-ZROIWOOFSA-N 0 1 516.564 5.426 40 10 KKCBMN Cc1[nH]n(-c2ccc(I)cc2)c(=O)c1C=Nc1ccc(Br)cc1Cl ZINC000408533268 572182659 /nfs/dbraw/zinc/18/26/59/572182659.db2.gz OICCGLGICSZIOH-ZROIWOOFSA-N 0 1 516.564 5.426 40 10 KKCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1 ZINC000408540871 572207080 /nfs/dbraw/zinc/20/70/80/572207080.db2.gz WRGOHGREDPSITR-USHMODERSA-N 0 1 608.716 6.473 40 10 KKCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408544774 572216896 /nfs/dbraw/zinc/21/68/96/572216896.db2.gz XGFCDQYNACKKSG-NLRVBDNBSA-N 0 1 569.683 5.040 40 10 KKCBMN COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000408588072 572266764 /nfs/dbraw/zinc/26/67/64/572266764.db2.gz XCJLNKYUCZUYBG-UHFFFAOYSA-N 0 1 589.884 6.940 40 10 KKCBMN