smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2cc(Br)ccc2O)cc1 ZINC000000950885 551589258 /nfs/dbraw/zinc/58/92/58/551589258.db2.gz ISCGDTXDYPVVLB-VSKRKVRLSA-N -1 3 529.774 4.868 40 10 KJCBHM Cc1oc2c(ccc([O-])c2CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)c(=O)c1-c1nc2ccccc2s1 ZINC000002099545 551762057 /nfs/dbraw/zinc/76/20/57/551762057.db2.gz BKQGQENHENEIKQ-ZWKOTPCHSA-N -1 3 511.603 4.865 40 10 KJCBHM COC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1)[C@@H]3c1ccc(N(C)C)cc1)CCCC2 ZINC000006144420 552546389 /nfs/dbraw/zinc/54/63/89/552546389.db2.gz SCUKSXPNAKBVMB-GVAUOCQISA-N -1 3 531.634 4.531 40 10 KJCBHM CCOC(=O)c1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000006144458 552546695 /nfs/dbraw/zinc/54/66/95/552546695.db2.gz SWBOOCXVDUTPMY-SDHSZQHLSA-N -1 3 519.985 4.634 40 10 KJCBHM O=C(NN1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC1=S)c1cccc([O-])c1 ZINC000008871696 553171662 /nfs/dbraw/zinc/17/16/62/553171662.db2.gz XCSCLOCOIPASLV-WOJGMQOQSA-N -1 3 501.383 4.961 40 10 KJCBHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000009210169 553220589 /nfs/dbraw/zinc/22/05/89/553220589.db2.gz WJWWTLYHMHXMSD-NXCFDTQHSA-N -1 3 516.554 4.501 40 10 KJCBHM CCCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4[O-])[C@@H]3C2=O)cc1 ZINC000009312892 553240756 /nfs/dbraw/zinc/24/07/56/553240756.db2.gz JOIKJQPYKCXRGS-NXCFDTQHSA-N -1 3 517.538 4.921 40 10 KJCBHM CC(NCc1cccs1)=c1c(=O)n(-c2nc3ccccc3s2)[n-]c1=CC(=O)NCc1cccs1 ZINC000009356353 553246553 /nfs/dbraw/zinc/24/65/53/553246553.db2.gz SRNXVNCDXDYUNZ-PXLXIMEGSA-N -1 3 507.666 4.892 40 10 KJCBHM CCOC(=O)c1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000011907986 553348503 /nfs/dbraw/zinc/34/85/03/553348503.db2.gz SWBOOCXVDUTPMY-SDHOMARFSA-N -1 3 519.985 4.634 40 10 KJCBHM CCCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc([N+](=O)[O-])cc4[O-])[C@@H]3C2=O)cc1 ZINC000013751001 553487924 /nfs/dbraw/zinc/48/79/24/553487924.db2.gz JOIKJQPYKCXRGS-GSDHBNRESA-N -1 3 517.538 4.921 40 10 KJCBHM COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)c(I)c1[O-] ZINC000013915042 553495583 /nfs/dbraw/zinc/49/55/83/553495583.db2.gz NAXNCRSUYUITGS-MDWZMJQESA-N -1 3 513.129 4.574 40 10 KJCBHM CN(C)c1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000017732100 553599652 /nfs/dbraw/zinc/59/96/52/553599652.db2.gz LUDNBEDYZWKYCU-PVHODMMVSA-N -1 3 508.534 4.865 40 10 KJCBHM COC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1)[C@H]3c1ccc(N(C)C)cc1)CCCC2 ZINC000017994111 553601397 /nfs/dbraw/zinc/60/13/97/553601397.db2.gz SCUKSXPNAKBVMB-SDHOMARFSA-N -1 3 531.634 4.531 40 10 KJCBHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000018115016 553604707 /nfs/dbraw/zinc/60/47/07/553604707.db2.gz WJWWTLYHMHXMSD-ZNZIZOMTSA-N -1 3 516.554 4.501 40 10 KJCBHM COc1cccc(C2N(Cc3ccc(OC)c(OC)c3)CCCN2Cc2ccc(OC)c(OC)c2)c1[O-] ZINC000019325989 553613445 /nfs/dbraw/zinc/61/34/45/553613445.db2.gz UCPWCZAVOHQBNL-UHFFFAOYSA-N -1 3 508.615 4.842 40 10 KJCBHM COc1ccc(CN2CCCN(Cc3ccc(OC)cc3OC)C2c2cccc(OC)c2[O-])c(OC)c1 ZINC000019326076 553613489 /nfs/dbraw/zinc/61/34/89/553613489.db2.gz FFYJUMWIZOXHAY-UHFFFAOYSA-N -1 3 508.615 4.842 40 10 KJCBHM COC(=O)C=c1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1=C(C)Nc1ccc(Nc2ccc(OC)cc2)cc1 ZINC000020287176 553632800 /nfs/dbraw/zinc/63/28/00/553632800.db2.gz WBVDDUWEHMIMDT-ONUIUJJFSA-N -1 3 515.526 4.999 40 10 KJCBHM COC(=O)C=c1[n-]n(-c2nc3ccccc3s2)c(=O)c1=C(C)NCCSc1ccc(Cl)cc1 ZINC000020287272 553632758 /nfs/dbraw/zinc/63/27/58/553632758.db2.gz UEARSTLZQTUFMM-STZFKDTASA-N -1 3 501.033 4.871 40 10 KJCBHM COC(=O)C=c1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1=C(C)NCCC(c1ccccc1)c1ccccc1 ZINC000020287326 553632697 /nfs/dbraw/zinc/63/26/97/553632697.db2.gz ZMQBXSRYDPZZEQ-RRAHZORUSA-N -1 3 512.566 4.946 40 10 KJCBHM COC(=O)C=c1[n-]n(-c2nc3ccccc3s2)c(=O)c1=C(C)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000020287415 553632779 /nfs/dbraw/zinc/63/27/79/553632779.db2.gz IVEHCWXBEYMCMP-UCQKPKSFSA-N -1 3 508.003 4.803 40 10 KJCBHM CCCC1=NN(c2ccc(C(=O)OCC)cc2)C(=O)/C1=C/c1cc(I)ccc1[O-] ZINC000036617168 554226290 /nfs/dbraw/zinc/22/62/90/554226290.db2.gz RAQQGCPLXNCOHB-QGOAFFKASA-N -1 3 504.324 4.760 40 10 KJCBHM C/C=C(\C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c([O-])c([C@@H]2C[C@@](C)(N(C)C)[C@H](O)[C@H](C)O2)cc([C@@H]2C[C@H](N(C)C)[C@H](O)[C@H](C)O2)c1C3=O ZINC000082186460 553675438 /nfs/dbraw/zinc/67/54/38/553675438.db2.gz MFTJRTUKCOVIMD-BYGRHIMGSA-N -1 3 688.818 4.678 40 10 in-vitro KJCBHM C/C=C(\C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c([O-])c([C@H]2C[C@@](C)(N(C)C)[C@H](O)[C@H](C)O2)cc([C@@H]2C[C@H](N(C)C)[C@H](O)[C@H](C)O2)c1C3=O ZINC000082186463 553675493 /nfs/dbraw/zinc/67/54/93/553675493.db2.gz MFTJRTUKCOVIMD-MBWDVDNASA-N -1 3 688.818 4.678 40 10 in-vitro KJCBHM C/C=C(/C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c([O-])c([C@@H]2C[C@@](C)(N(C)C)[C@H](O)[C@H](C)O2)cc([C@@H]2C[C@H](N(C)C)[C@H](O)[C@H](C)O2)c1C3=O ZINC000085840853 553687099 /nfs/dbraw/zinc/68/70/99/553687099.db2.gz MFTJRTUKCOVIMD-SQOCNNSZSA-N -1 3 688.818 4.678 40 10 KJCBHM C/C=C(/C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c([O-])c([C@H]2C[C@@](C)(N(C)C)[C@H](O)[C@H](C)O2)cc([C@@H]2C[C@H](N(C)C)[C@H](O)[C@H](C)O2)c1C3=O ZINC000085840857 553687195 /nfs/dbraw/zinc/68/71/95/553687195.db2.gz MFTJRTUKCOVIMD-MUTQFMDTSA-N -1 3 688.818 4.678 40 10 KJCBHM CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c([O-])c(CN3CCN(C)CC3)c21 ZINC000100215921 554250303 /nfs/dbraw/zinc/25/03/03/554250303.db2.gz SEEDMUGABJDEII-UHFFFAOYSA-N -1 3 532.504 4.863 40 10 KJCBHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@H]3c2cc(Br)ccc2O)cc1 ZINC000100561461 554418120 /nfs/dbraw/zinc/41/81/20/554418120.db2.gz ISCGDTXDYPVVLB-FSSWDIPSSA-N -1 3 529.774 4.868 40 10 KJCBHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@H]3c2cc(Br)ccc2O)cc1 ZINC000100561464 554417936 /nfs/dbraw/zinc/41/79/36/554417936.db2.gz ISCGDTXDYPVVLB-FKBYEOEOSA-N -1 3 529.774 4.868 40 10 KJCBHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2cc(Br)ccc2O)cc1 ZINC000100561467 554418044 /nfs/dbraw/zinc/41/80/44/554418044.db2.gz ISCGDTXDYPVVLB-BDTNDASRSA-N -1 3 529.774 4.868 40 10 KJCBHM CCOC(=O)c1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000100766650 554470353 /nfs/dbraw/zinc/47/03/53/554470353.db2.gz SWBOOCXVDUTPMY-DSITVLBTSA-N -1 3 519.985 4.634 40 10 KJCBHM CCOC(=O)c1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000100766661 554470188 /nfs/dbraw/zinc/47/01/88/554470188.db2.gz SWBOOCXVDUTPMY-GVAUOCQISA-N -1 3 519.985 4.634 40 10 KJCBHM CCCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc([N+](=O)[O-])cc4[O-])[C@H]3C2=O)cc1 ZINC000101029060 554564608 /nfs/dbraw/zinc/56/46/08/554564608.db2.gz JOIKJQPYKCXRGS-ZNZIZOMTSA-N -1 3 517.538 4.921 40 10 KJCBHM CCCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4[O-])[C@H]3C2=O)cc1 ZINC000101029062 554564666 /nfs/dbraw/zinc/56/46/66/554564666.db2.gz JOIKJQPYKCXRGS-CYXNTTPDSA-N -1 3 517.538 4.921 40 10 KJCBHM COC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccccc1)[C@@H]3c1ccc(N(C)C)cc1)CCCC2 ZINC000101125727 554645193 /nfs/dbraw/zinc/64/51/93/554645193.db2.gz SCUKSXPNAKBVMB-SDHSZQHLSA-N -1 3 531.634 4.531 40 10 KJCBHM COC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccccc1)[C@H]3c1ccc(N(C)C)cc1)CCCC2 ZINC000101125731 554645158 /nfs/dbraw/zinc/64/51/58/554645158.db2.gz SCUKSXPNAKBVMB-DSITVLBTSA-N -1 3 531.634 4.531 40 10 KJCBHM CN(C)c1ccc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000101130724 554650019 /nfs/dbraw/zinc/65/00/19/554650019.db2.gz LUDNBEDYZWKYCU-QKDODKLFSA-N -1 3 508.534 4.865 40 10 KJCBHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000101170691 554661703 /nfs/dbraw/zinc/66/17/03/554661703.db2.gz WJWWTLYHMHXMSD-GSDHBNRESA-N -1 3 516.554 4.501 40 10 KJCBHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000101170694 554661772 /nfs/dbraw/zinc/66/17/72/554661772.db2.gz WJWWTLYHMHXMSD-CYXNTTPDSA-N -1 3 516.554 4.501 40 10 KJCBHM CN(C)c1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102749515 555043734 /nfs/dbraw/zinc/04/37/34/555043734.db2.gz LUDNBEDYZWKYCU-KWXIBIRDSA-N -1 3 508.534 4.865 40 10 KJCBHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@H]2c1cc(Br)ccc1O ZINC000102756108 555048712 /nfs/dbraw/zinc/04/87/12/555048712.db2.gz YNSPZAUKPYUQCP-ACRUOGEOSA-N -1 3 544.199 4.968 40 10 KJCBHM O=C1[C@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@H]2c1cc(Br)ccc1O ZINC000102756112 555048843 /nfs/dbraw/zinc/04/88/43/555048843.db2.gz YNSPZAUKPYUQCP-HKBOAZHASA-N -1 3 544.199 4.968 40 10 KJCBHM COc1cccc2c1C(=O)c1c(O)c3c(c([O-])c1C2=O)C[C@@](O)(C(C)=O)C[C@H]3O[C@H]1C[C@@H]([N+]([O-])(Cc2ccccc2)Cc2ccccc2)[C@@H](O)[C@@H](C)O1 ZINC000150403112 571478471 /nfs/dbraw/zinc/47/84/71/571478471.db2.gz YYEDQXYOGYFXSQ-VWCYHEKWSA-N -1 3 723.775 4.785 40 10 KJCBHM COc1cccc2c1C(=O)c1c([O-])c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@H]3O[C@H]1C[C@@H]([N+]([O-])(Cc2ccccc2)Cc2ccccc2)[C@@H](O)[C@@H](C)O1 ZINC000150403112 571478470 /nfs/dbraw/zinc/47/84/70/571478470.db2.gz YYEDQXYOGYFXSQ-VWCYHEKWSA-N -1 3 723.775 4.785 40 10 KJCBHM COc1cccc2c1C(=O)c1c(O)c3c(c([O-])c1C2=O)C[C@@](O)(C(C)=O)C[C@H]3O[C@H]1C[C@@H]([N+]([O-])(Cc2ccccc2)Cc2ccccc2)[C@@H](O)[C@H](C)O1 ZINC000150403117 571478526 /nfs/dbraw/zinc/47/85/26/571478526.db2.gz YYEDQXYOGYFXSQ-VYJSQWNSSA-N -1 3 723.775 4.785 40 10 KJCBHM COc1cccc2c1C(=O)c1c([O-])c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@H]3O[C@H]1C[C@@H]([N+]([O-])(Cc2ccccc2)Cc2ccccc2)[C@@H](O)[C@H](C)O1 ZINC000150403117 571478524 /nfs/dbraw/zinc/47/85/24/571478524.db2.gz YYEDQXYOGYFXSQ-VYJSQWNSSA-N -1 3 723.775 4.785 40 10 KJCBHM COc1cccc2c1C(=O)c1c(O)c3c(c([O-])c1C2=O)C[C@@](O)(C(C)=O)C[C@H]3O[C@H]1C[C@@H]([N+]([O-])(Cc2ccccc2)Cc2ccccc2)[C@H](O)[C@@H](C)O1 ZINC000150403121 571478691 /nfs/dbraw/zinc/47/86/91/571478691.db2.gz YYEDQXYOGYFXSQ-SWKHHSQWSA-N -1 3 723.775 4.785 40 10 KJCBHM COc1cccc2c1C(=O)c1c([O-])c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@H]3O[C@H]1C[C@@H]([N+]([O-])(Cc2ccccc2)Cc2ccccc2)[C@H](O)[C@@H](C)O1 ZINC000150403121 571478690 /nfs/dbraw/zinc/47/86/90/571478690.db2.gz YYEDQXYOGYFXSQ-SWKHHSQWSA-N -1 3 723.775 4.785 40 10 KJCBHM COc1cccc2c1C(=O)c1c(O)c3c(c([O-])c1C2=O)C[C@@](O)(C(C)=O)C[C@H]3O[C@H]1C[C@@H]([N+]([O-])(Cc2ccccc2)Cc2ccccc2)[C@H](O)[C@H](C)O1 ZINC000150403123 571478701 /nfs/dbraw/zinc/47/87/01/571478701.db2.gz YYEDQXYOGYFXSQ-NXYFSZCUSA-N -1 3 723.775 4.785 40 10 KJCBHM COc1cccc2c1C(=O)c1c([O-])c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@H]3O[C@H]1C[C@@H]([N+]([O-])(Cc2ccccc2)Cc2ccccc2)[C@H](O)[C@H](C)O1 ZINC000150403123 571478700 /nfs/dbraw/zinc/47/87/00/571478700.db2.gz YYEDQXYOGYFXSQ-NXYFSZCUSA-N -1 3 723.775 4.785 40 10 KJCBHM O=C(CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)Nc3cc(Cl)ccc3O)C2=O)SC1=S)Nc1cc(Cl)ccc1[O-] ZINC000150444777 571499989 /nfs/dbraw/zinc/49/99/89/571499989.db2.gz GZRISRYWCGNVPR-FMQUCBEESA-N -1 3 657.604 4.694 40 10 KJCBHM CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(Br)c1[O-] ZINC000206908912 571573089 /nfs/dbraw/zinc/57/30/89/571573089.db2.gz OSONOCZCLUFUJT-OQLLNIDSSA-N -1 3 513.822 4.753 40 10 KJCBHM C[C@@H]1CCCN(c2ccc(C[N-]S(=O)(=O)c3nnc(NC(=O)c4ccc(Cl)cc4Cl)s3)cc2)C1 ZINC000223136086 571435035 /nfs/dbraw/zinc/43/50/35/571435035.db2.gz WITYMVDNXFCVKE-CQSZACIVSA-N -1 3 540.498 4.812 40 10 KJCBHM C[C@H]1CCCN(c2ccc(C[N-]S(=O)(=O)c3nnc(NC(=O)c4ccc(Cl)cc4Cl)s3)cc2)C1 ZINC000223136149 571435030 /nfs/dbraw/zinc/43/50/30/571435030.db2.gz WITYMVDNXFCVKE-AWEZNQCLSA-N -1 3 540.498 4.812 40 10 KJCBHM C[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1)c1ccc(N2CCC(C)CC2)cc1 ZINC000223688465 571527254 /nfs/dbraw/zinc/52/72/54/571527254.db2.gz XXSAZZWYNDIFKH-MRXNPFEDSA-N -1 3 520.080 4.720 40 10 KJCBHM C[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1)c1ccc(N2CCC(C)CC2)cc1 ZINC000223688529 571527228 /nfs/dbraw/zinc/52/72/28/571527228.db2.gz XXSAZZWYNDIFKH-INIZCTEOSA-N -1 3 520.080 4.720 40 10 KJCBHM C[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000224328346 571522768 /nfs/dbraw/zinc/52/27/68/571522768.db2.gz IFKSXSJPZQXSLL-HZPDHXFCSA-N -1 3 520.080 4.720 40 10 KJCBHM C[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000224328401 571522784 /nfs/dbraw/zinc/52/27/84/571522784.db2.gz IFKSXSJPZQXSLL-CVEARBPZSA-N -1 3 520.080 4.720 40 10 KJCBHM C[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000224336492 571524737 /nfs/dbraw/zinc/52/47/37/571524737.db2.gz KTDVWHSKIPWFJL-HZPDHXFCSA-N -1 3 520.080 4.720 40 10 KJCBHM C[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000224336542 571524929 /nfs/dbraw/zinc/52/49/29/571524929.db2.gz KTDVWHSKIPWFJL-CVEARBPZSA-N -1 3 520.080 4.720 40 10 KJCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225416915 571784179 /nfs/dbraw/zinc/78/41/79/571784179.db2.gz XPFPLYRFBKUXLP-CONSDPRKSA-N -1 3 632.812 4.883 40 10 KJCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225416959 571784237 /nfs/dbraw/zinc/78/42/37/571784237.db2.gz XPFPLYRFBKUXLP-JSOSNVBQSA-N -1 3 632.812 4.883 40 10 KJCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225417004 571784230 /nfs/dbraw/zinc/78/42/30/571784230.db2.gz XPFPLYRFBKUXLP-IOWSJCHKSA-N -1 3 632.812 4.883 40 10 KJCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225417044 571784053 /nfs/dbraw/zinc/78/40/53/571784053.db2.gz XPFPLYRFBKUXLP-FIRIVFDPSA-N -1 3 632.812 4.883 40 10 KJCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)ccc1[N-]S(C)(=O)=O ZINC000225426945 571793563 /nfs/dbraw/zinc/79/35/63/571793563.db2.gz JKUOTCRBQDHMIW-SVBPBHIXSA-N -1 3 563.705 4.752 40 10 KJCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)ccc1[N-]S(C)(=O)=O ZINC000225426985 571793591 /nfs/dbraw/zinc/79/35/91/571793591.db2.gz JKUOTCRBQDHMIW-SXOMAYOGSA-N -1 3 563.705 4.752 40 10 KJCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)ccc1[N-]S(C)(=O)=O ZINC000225427029 571793579 /nfs/dbraw/zinc/79/35/79/571793579.db2.gz JKUOTCRBQDHMIW-RRPNLBNLSA-N -1 3 563.705 4.752 40 10 KJCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)ccc1[N-]S(C)(=O)=O ZINC000225427064 571793494 /nfs/dbraw/zinc/79/34/94/571793494.db2.gz JKUOTCRBQDHMIW-KAYWLYCHSA-N -1 3 563.705 4.752 40 10 KJCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225427121 571793416 /nfs/dbraw/zinc/79/34/16/571793416.db2.gz NIKKNLLIINLPOZ-SVBPBHIXSA-N -1 3 563.705 4.752 40 10 KJCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225427160 571793948 /nfs/dbraw/zinc/79/39/48/571793948.db2.gz NIKKNLLIINLPOZ-SXOMAYOGSA-N -1 3 563.705 4.752 40 10 KJCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225427195 571793865 /nfs/dbraw/zinc/79/38/65/571793865.db2.gz NIKKNLLIINLPOZ-RRPNLBNLSA-N -1 3 563.705 4.752 40 10 KJCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225427233 571794128 /nfs/dbraw/zinc/79/41/28/571794128.db2.gz NIKKNLLIINLPOZ-KAYWLYCHSA-N -1 3 563.705 4.752 40 10 KJCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)ccc1[N-]S(C)(=O)=O ZINC000225429981 571797462 /nfs/dbraw/zinc/79/74/62/571797462.db2.gz MIIBWDXKIMVFNP-NSOVKSMOSA-N -1 3 591.715 4.775 40 10 KJCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)ccc1[N-]S(C)(=O)=O ZINC000225430021 571797489 /nfs/dbraw/zinc/79/74/89/571797489.db2.gz MIIBWDXKIMVFNP-IZLXSDGUSA-N -1 3 591.715 4.775 40 10 KJCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)ccc1[N-]S(C)(=O)=O ZINC000225430060 571797444 /nfs/dbraw/zinc/79/74/44/571797444.db2.gz MIIBWDXKIMVFNP-WUFINQPMSA-N -1 3 591.715 4.775 40 10 KJCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)ccc1[N-]S(C)(=O)=O ZINC000225430097 571797431 /nfs/dbraw/zinc/79/74/31/571797431.db2.gz MIIBWDXKIMVFNP-VSGBNLITSA-N -1 3 591.715 4.775 40 10 KJCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)ccc1[N-]S(C)(=O)=O ZINC000225430530 571797984 /nfs/dbraw/zinc/79/79/84/571797984.db2.gz IWGHCJKJWFOXIG-NSOVKSMOSA-N -1 3 622.729 4.963 40 10 KJCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)ccc1[N-]S(C)(=O)=O ZINC000225430572 571798318 /nfs/dbraw/zinc/79/83/18/571798318.db2.gz IWGHCJKJWFOXIG-IZLXSDGUSA-N -1 3 622.729 4.963 40 10 KJCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)ccc1[N-]S(C)(=O)=O ZINC000225430610 571798388 /nfs/dbraw/zinc/79/83/88/571798388.db2.gz IWGHCJKJWFOXIG-WUFINQPMSA-N -1 3 622.729 4.963 40 10 KJCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)ccc1[N-]S(C)(=O)=O ZINC000225430641 571798366 /nfs/dbraw/zinc/79/83/66/571798366.db2.gz IWGHCJKJWFOXIG-VSGBNLITSA-N -1 3 622.729 4.963 40 10 KJCBHM COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc([N-]S(C)(=O)=O)c(OC)c3)c2C)c([N+](=O)[O-])c1 ZINC000225430704 571798397 /nfs/dbraw/zinc/79/83/97/571798397.db2.gz SRZDOGXOVNRLOG-VSGBNLITSA-N -1 3 622.729 4.963 40 10 KJCBHM COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc([N-]S(C)(=O)=O)c(OC)c3)c2C)c([N+](=O)[O-])c1 ZINC000225430741 571798310 /nfs/dbraw/zinc/79/83/10/571798310.db2.gz SRZDOGXOVNRLOG-IZLXSDGUSA-N -1 3 622.729 4.963 40 10 KJCBHM COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc([N-]S(C)(=O)=O)c(OC)c3)c2C)c([N+](=O)[O-])c1 ZINC000225430774 571798472 /nfs/dbraw/zinc/79/84/72/571798472.db2.gz SRZDOGXOVNRLOG-WUFINQPMSA-N -1 3 622.729 4.963 40 10 KJCBHM COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc([N-]S(C)(=O)=O)c(OC)c3)c2C)c([N+](=O)[O-])c1 ZINC000225430816 571798240 /nfs/dbraw/zinc/79/82/40/571798240.db2.gz SRZDOGXOVNRLOG-NSOVKSMOSA-N -1 3 622.729 4.963 40 10 KJCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)ccc1[N-]S(C)(=O)=O ZINC000225431404 571798909 /nfs/dbraw/zinc/79/89/09/571798909.db2.gz FUGPTDJAOUSCSM-VSGBNLITSA-N -1 3 622.729 4.963 40 10 KJCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)ccc1[N-]S(C)(=O)=O ZINC000225431443 571798772 /nfs/dbraw/zinc/79/87/72/571798772.db2.gz FUGPTDJAOUSCSM-IZLXSDGUSA-N -1 3 622.729 4.963 40 10 KJCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)ccc1[N-]S(C)(=O)=O ZINC000225431480 571798961 /nfs/dbraw/zinc/79/89/61/571798961.db2.gz FUGPTDJAOUSCSM-WUFINQPMSA-N -1 3 622.729 4.963 40 10 KJCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)ccc1[N-]S(C)(=O)=O ZINC000225431514 571798976 /nfs/dbraw/zinc/79/89/76/571798976.db2.gz FUGPTDJAOUSCSM-NSOVKSMOSA-N -1 3 622.729 4.963 40 10 KJCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225431741 571799380 /nfs/dbraw/zinc/79/93/80/571799380.db2.gz SRTOLVLUBUNGPJ-SVBPBHIXSA-N -1 3 562.721 4.750 40 10 KJCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225431779 571799449 /nfs/dbraw/zinc/79/94/49/571799449.db2.gz SRTOLVLUBUNGPJ-SXOMAYOGSA-N -1 3 562.721 4.750 40 10 KJCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225431819 571799398 /nfs/dbraw/zinc/79/93/98/571799398.db2.gz SRTOLVLUBUNGPJ-RRPNLBNLSA-N -1 3 562.721 4.750 40 10 KJCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225431860 571799309 /nfs/dbraw/zinc/79/93/09/571799309.db2.gz SRTOLVLUBUNGPJ-KAYWLYCHSA-N -1 3 562.721 4.750 40 10 KJCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)ccc1[N-]S(C)(=O)=O ZINC000225431912 571799298 /nfs/dbraw/zinc/79/92/98/571799298.db2.gz QPMZTHKAAKTWSY-UIOOFZCWSA-N -1 3 562.721 4.750 40 10 KJCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)ccc1[N-]S(C)(=O)=O ZINC000225431955 571799360 /nfs/dbraw/zinc/79/93/60/571799360.db2.gz QPMZTHKAAKTWSY-FTJBHMTQSA-N -1 3 562.721 4.750 40 10 KJCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)ccc1[N-]S(C)(=O)=O ZINC000225431984 571799483 /nfs/dbraw/zinc/79/94/83/571799483.db2.gz QPMZTHKAAKTWSY-IZZNHLLZSA-N -1 3 562.721 4.750 40 10 KJCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)ccc1[N-]S(C)(=O)=O ZINC000225432026 571799466 /nfs/dbraw/zinc/79/94/66/571799466.db2.gz QPMZTHKAAKTWSY-CLJLJLNGSA-N -1 3 562.721 4.750 40 10 KJCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225432081 571799914 /nfs/dbraw/zinc/79/99/14/571799914.db2.gz OBHKOHUFTVSVID-SVBPBHIXSA-N -1 3 562.721 4.750 40 10 KJCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225432116 571799783 /nfs/dbraw/zinc/79/97/83/571799783.db2.gz OBHKOHUFTVSVID-SXOMAYOGSA-N -1 3 562.721 4.750 40 10 KJCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225432151 571799730 /nfs/dbraw/zinc/79/97/30/571799730.db2.gz OBHKOHUFTVSVID-RRPNLBNLSA-N -1 3 562.721 4.750 40 10 KJCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225432189 571799879 /nfs/dbraw/zinc/79/98/79/571799879.db2.gz OBHKOHUFTVSVID-KAYWLYCHSA-N -1 3 562.721 4.750 40 10 KJCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)ccc1[N-]S(C)(=O)=O ZINC000225441727 571811851 /nfs/dbraw/zinc/81/18/51/571811851.db2.gz ABRXUZWLNBOGNO-UIOOFZCWSA-N -1 3 533.679 4.738 40 10 KJCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)ccc1[N-]S(C)(=O)=O ZINC000225441765 571811862 /nfs/dbraw/zinc/81/18/62/571811862.db2.gz ABRXUZWLNBOGNO-FTJBHMTQSA-N -1 3 533.679 4.738 40 10 KJCBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)ccc1[N-]S(C)(=O)=O ZINC000225441797 571812071 /nfs/dbraw/zinc/81/20/71/571812071.db2.gz ABRXUZWLNBOGNO-IZZNHLLZSA-N -1 3 533.679 4.738 40 10 KJCBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)ccc1[N-]S(C)(=O)=O ZINC000225441832 571812527 /nfs/dbraw/zinc/81/25/27/571812527.db2.gz ABRXUZWLNBOGNO-CLJLJLNGSA-N -1 3 533.679 4.738 40 10 KJCBHM COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc([N-]S(C)(=O)=O)c(OC)c2)cc1 ZINC000225441895 571812687 /nfs/dbraw/zinc/81/26/87/571812687.db2.gz NGFXQOASUZBJBH-KAYWLYCHSA-N -1 3 563.705 4.747 40 10 KJCBHM COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc([N-]S(C)(=O)=O)c(OC)c2)cc1 ZINC000225441935 571812553 /nfs/dbraw/zinc/81/25/53/571812553.db2.gz NGFXQOASUZBJBH-SXOMAYOGSA-N -1 3 563.705 4.747 40 10 KJCBHM COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc([N-]S(C)(=O)=O)c(OC)c2)cc1 ZINC000225441972 571812672 /nfs/dbraw/zinc/81/26/72/571812672.db2.gz NGFXQOASUZBJBH-RRPNLBNLSA-N -1 3 563.705 4.747 40 10 KJCBHM COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc([N-]S(C)(=O)=O)c(OC)c2)cc1 ZINC000225442009 571812693 /nfs/dbraw/zinc/81/26/93/571812693.db2.gz NGFXQOASUZBJBH-SVBPBHIXSA-N -1 3 563.705 4.747 40 10 KJCBHM COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc([N-]S(C)(=O)=O)c(OC)c3)c2C)c1 ZINC000225442227 571812770 /nfs/dbraw/zinc/81/27/70/571812770.db2.gz PCDQLRKSRVIZHC-VSGBNLITSA-N -1 3 605.742 4.833 40 10 KJCBHM COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc([N-]S(C)(=O)=O)c(OC)c3)c2C)c1 ZINC000225442258 571812743 /nfs/dbraw/zinc/81/27/43/571812743.db2.gz PCDQLRKSRVIZHC-IZLXSDGUSA-N -1 3 605.742 4.833 40 10 KJCBHM COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc([N-]S(C)(=O)=O)c(OC)c3)c2C)c1 ZINC000225442296 571812605 /nfs/dbraw/zinc/81/26/05/571812605.db2.gz PCDQLRKSRVIZHC-WUFINQPMSA-N -1 3 605.742 4.833 40 10 KJCBHM COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc([N-]S(C)(=O)=O)c(OC)c3)c2C)c1 ZINC000225442340 571812678 /nfs/dbraw/zinc/81/26/78/571812678.db2.gz PCDQLRKSRVIZHC-NSOVKSMOSA-N -1 3 605.742 4.833 40 10 KJCBHM COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc([N-]S(C)(=O)=O)c(OC)c2)c1C ZINC000225442399 571813304 /nfs/dbraw/zinc/81/33/04/571813304.db2.gz NVOIQIRBJUKVSY-VSGBNLITSA-N -1 3 605.742 4.833 40 10 KJCBHM COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc([N-]S(C)(=O)=O)c(OC)c2)c1C ZINC000225442440 571813277 /nfs/dbraw/zinc/81/32/77/571813277.db2.gz NVOIQIRBJUKVSY-IZLXSDGUSA-N -1 3 605.742 4.833 40 10 KJCBHM COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc([N-]S(C)(=O)=O)c(OC)c2)c1C ZINC000225442479 571813214 /nfs/dbraw/zinc/81/32/14/571813214.db2.gz NVOIQIRBJUKVSY-WUFINQPMSA-N -1 3 605.742 4.833 40 10 KJCBHM COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc([N-]S(C)(=O)=O)c(OC)c2)c1C ZINC000225442513 571813229 /nfs/dbraw/zinc/81/32/29/571813229.db2.gz NVOIQIRBJUKVSY-NSOVKSMOSA-N -1 3 605.742 4.833 40 10 KJCBHM COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc([N-]S(C)(=O)=O)c(OC)c3)c2C)cc1 ZINC000225442565 571813256 /nfs/dbraw/zinc/81/32/56/571813256.db2.gz BQATWOFSESVSED-VSGBNLITSA-N -1 3 605.742 4.833 40 10 KJCBHM COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc([N-]S(C)(=O)=O)c(OC)c3)c2C)cc1 ZINC000225442602 571813196 /nfs/dbraw/zinc/81/31/96/571813196.db2.gz BQATWOFSESVSED-IZLXSDGUSA-N -1 3 605.742 4.833 40 10 KJCBHM COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc([N-]S(C)(=O)=O)c(OC)c3)c2C)cc1 ZINC000225442639 571813328 /nfs/dbraw/zinc/81/33/28/571813328.db2.gz BQATWOFSESVSED-WUFINQPMSA-N -1 3 605.742 4.833 40 10 KJCBHM COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc([N-]S(C)(=O)=O)c(OC)c3)c2C)cc1 ZINC000225442677 571813353 /nfs/dbraw/zinc/81/33/53/571813353.db2.gz BQATWOFSESVSED-NSOVKSMOSA-N -1 3 605.742 4.833 40 10 KJCBHM C[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1)c1ccc(N2CCC(C)CC2)cc1 ZINC000225867690 572079657 /nfs/dbraw/zinc/07/96/57/572079657.db2.gz UFWOXOUUFVPVCU-MRXNPFEDSA-N -1 3 520.080 4.720 40 10 KJCBHM C[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1)c1ccc(N2CCC(C)CC2)cc1 ZINC000225867705 572079683 /nfs/dbraw/zinc/07/96/83/572079683.db2.gz UFWOXOUUFVPVCU-INIZCTEOSA-N -1 3 520.080 4.720 40 10 KJCBHM C[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260839097 571742351 /nfs/dbraw/zinc/74/23/51/571742351.db2.gz IFKSXSJPZQXSLL-HOTGVXAUSA-N -1 3 520.080 4.720 40 10 KJCBHM C[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260839100 571742409 /nfs/dbraw/zinc/74/24/09/571742409.db2.gz IFKSXSJPZQXSLL-JKSUJKDBSA-N -1 3 520.080 4.720 40 10 KJCBHM C[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260841223 571743961 /nfs/dbraw/zinc/74/39/61/571743961.db2.gz KTDVWHSKIPWFJL-HOTGVXAUSA-N -1 3 520.080 4.720 40 10 KJCBHM C[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260841226 571743949 /nfs/dbraw/zinc/74/39/49/571743949.db2.gz KTDVWHSKIPWFJL-JKSUJKDBSA-N -1 3 520.080 4.720 40 10 KJCBHM COc1cc(-n2[n-]c(C)c(C=Nc3cc4[nH]c(=O)[nH]c4cc3N3CCN(c4ccccc4)CC3)c2=O)ccc1Cl ZINC000408526341 572157735 /nfs/dbraw/zinc/15/77/35/572157735.db2.gz BAXUHHJXGOWIJQ-FXBPSFAMSA-N -1 3 558.042 4.976 40 10 KJCBHM Cc1[n-]n(-c2cc(Cl)ccc2Cl)c(=O)c1C=Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C ZINC000408526398 572157753 /nfs/dbraw/zinc/15/77/53/572157753.db2.gz BVKPLMKIGGJSDL-VKAVYKQESA-N -1 3 513.429 4.893 40 10 KJCBHM Cc1[n-]n(-c2c(Cl)cc(Cl)cc2Cl)c(=O)c1C=Nc1cc2[nH]c(=O)[nH]c2cc1N1CCN(C)CC1 ZINC000408527315 572159705 /nfs/dbraw/zinc/15/97/05/572159705.db2.gz DIBNLFMVOZQNJT-KAMYIIQDSA-N -1 3 534.835 4.699 40 10 KJCBHM CCOc1cc(/C=C2\SC([N-]C(C)=O)=NC2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000408527571 572160977 /nfs/dbraw/zinc/16/09/77/572160977.db2.gz AXUGMAIYCYAHOR-OCKHKDLRSA-N -1 3 613.861 4.776 40 10 KJCBHM CC(=O)[N-]C1=NC(=O)/C(=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)S1 ZINC000408527696 572161578 /nfs/dbraw/zinc/16/15/78/572161578.db2.gz BJKCPFCBASHHMB-LSCVHKIXSA-N -1 3 522.808 4.535 40 10 KJCBHM Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1cc2[nH]c(=O)[nH]c2cc1N1CCN(c2ccccc2)CC1 ZINC000408528004 572162356 /nfs/dbraw/zinc/16/23/56/572162356.db2.gz DUGGODUAMNPMBZ-NKFKGCMQSA-N -1 3 521.625 4.930 40 10 KJCBHM Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1cc2c(cc1N1CCN(c3ccccc3)CC1)n(C)c(=O)n2C ZINC000408528141 572163280 /nfs/dbraw/zinc/16/32/80/572163280.db2.gz FIJFIXHYCLEMJC-QQTULTPQSA-N -1 3 549.679 4.539 40 10 KJCBHM Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1cc2[nH]c(=O)[nH]c2cc1N1CCN(c2ccccc2)CC1 ZINC000408528404 572164477 /nfs/dbraw/zinc/16/44/77/572164477.db2.gz FZDQWRAPFFSDAV-XLNRJJMWSA-N -1 3 528.016 4.967 40 10 KJCBHM CC(=O)[N-]C1=NC(=O)/C(=C/c2cc(Br)cc(Br)c2OCC(=O)Nc2cccc(C)c2)S1 ZINC000408528828 572166047 /nfs/dbraw/zinc/16/60/47/572166047.db2.gz FLZDWULFKDDWPV-IUXPMGMMSA-N -1 3 567.259 4.644 40 10 KJCBHM Cc1[n-]n(-c2cccc(C)c2)c(=O)c1C=Nc1cc2[nH]c(=O)[nH]c2cc1N1CCN(c2ccccc2)CC1 ZINC000408529261 572167266 /nfs/dbraw/zinc/16/72/66/572167266.db2.gz HICXDUJRMUHSPS-NKFKGCMQSA-N -1 3 507.598 4.622 40 10 KJCBHM Cc1[n-]n(-c2ccc(Br)c(C)c2)c(=O)c1C=Nc1cc2c(cc1N1CCN(c3ccccc3)CC1)n(C)c(=O)n2C ZINC000408529943 572169813 /nfs/dbraw/zinc/16/98/13/572169813.db2.gz IHCGWXOINYMCEP-CLCOLTQESA-N -1 3 614.548 4.993 40 10 KJCBHM CCOc1cc(/C=C2/SC([N-]C(C)=O)=NC2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408529992 572170560 /nfs/dbraw/zinc/17/05/60/572170560.db2.gz JXSCKKDPTSSOPY-IUXPMGMMSA-N -1 3 551.331 4.563 40 10 KJCBHM CCOc1cc(/C=C2\SC([N-]C(C)=O)=NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000408530086 572170948 /nfs/dbraw/zinc/17/09/48/572170948.db2.gz KMYCJWHTOCDKCL-OCKHKDLRSA-N -1 3 522.410 4.824 40 10 KJCBHM Cc1[n-]n(-c2ccc(C)c(Cl)c2)c(=O)c1C=Nc1cc2c(cc1N1CCN(c3ccccc3)CC1)n(C)c(=O)n2C ZINC000408530490 572171758 /nfs/dbraw/zinc/17/17/58/572171758.db2.gz IZAHLEMQVVSTIW-CLCOLTQESA-N -1 3 570.097 4.884 40 10 KJCBHM Cc1[n-]n(-c2ccc(Br)c(C)c2C)c(=O)c1C=Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C ZINC000408531100 572174414 /nfs/dbraw/zinc/17/44/14/572174414.db2.gz NEKWYMJUWDYUME-CYVLTUHYSA-N -1 3 551.489 4.965 40 10 KJCBHM CC(=O)[N-]C1=NC(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Br)c2)S1 ZINC000408531128 572174385 /nfs/dbraw/zinc/17/43/85/572174385.db2.gz OKIFTYKKJZYDOP-LSCVHKIXSA-N -1 3 522.808 4.535 40 10 KJCBHM COc1cc(/C=C2\SC([N-]C(C)=O)=NC2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000408531247 572175160 /nfs/dbraw/zinc/17/51/60/572175160.db2.gz OYLUZKPQZRLTMT-LSCVHKIXSA-N -1 3 552.834 4.543 40 10 KJCBHM Cc1[n-]n(-c2ccc(I)cc2)c(=O)c1C=Nc1cc2[nH]c(=O)[nH]c2cc1N1CCN(c2ccccc2)CC1 ZINC000408532032 572178210 /nfs/dbraw/zinc/17/82/10/572178210.db2.gz PLSIBWKPVCYVRT-XLNRJJMWSA-N -1 3 619.467 4.918 40 10 KJCBHM CC(=O)[N-]C1=NC(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3cccc(C)c3)c(Br)c2)S1 ZINC000408532795 572180961 /nfs/dbraw/zinc/18/09/61/572180961.db2.gz VXXSROMAAMZNOJ-MFOYZWKCSA-N -1 3 567.259 4.644 40 10 KJCBHM Cc1[n-]n(-c2ccc(Br)c(C)c2C)c(=O)c1C=Nc1cc2[nH]c(=O)[nH]c2cc1N1CCCC1 ZINC000408533118 572182146 /nfs/dbraw/zinc/18/21/46/572182146.db2.gz OCUQPLVORXODPU-VBKFSLOCSA-N -1 3 509.408 4.967 40 10 KJCBHM Cc1[n-]n(-c2ccc(I)cc2)c(=O)c1C=Nc1cc2c(cc1N1CCN(c3ccccc3)CC1)n(C)c(=O)n2C ZINC000408533272 572182553 /nfs/dbraw/zinc/18/25/53/572182553.db2.gz OIEOGKVOPZKRHQ-CLCOLTQESA-N -1 3 647.521 4.527 40 10 KJCBHM CCOc1cc(/C=C2\SC([N-]C(C)=O)=NC2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000408533302 572182728 /nfs/dbraw/zinc/18/27/28/572182728.db2.gz XWVGLDFLTIFQTO-OCKHKDLRSA-N -1 3 566.861 4.934 40 10 KJCBHM Cc1[n-]n(-c2ccc(Br)c(C)c2)c(=O)c1C=Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C ZINC000408533393 572183301 /nfs/dbraw/zinc/18/33/01/572183301.db2.gz SAMSZEUIBJOIKP-CYVLTUHYSA-N -1 3 537.462 4.657 40 10 KJCBHM Cc1[n-]n(-c2ccc(I)cc2)c(=O)c1C=Nc1cc2[nH]c(=O)[nH]c2cc1N1CCCCC1 ZINC000408533586 572183986 /nfs/dbraw/zinc/18/39/86/572183986.db2.gz SZPZZOYRLSAMKW-LGMDPLHJSA-N -1 3 542.381 4.582 40 10 KJCBHM Cc1[n-]n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(=O)c1C=Nc1cc2c(cc1N1CCOCC1)n(C)c(=O)n2C ZINC000408533818 572184430 /nfs/dbraw/zinc/18/44/30/572184430.db2.gz PDWGNHDGKNTCGT-OOAXWGSJSA-N -1 3 580.733 4.900 40 10 KJCBHM Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1cc2c(cc1N1CCN(c3ccccc3)CC1)n(C)c(=O)n2C ZINC000408533865 572184822 /nfs/dbraw/zinc/18/48/22/572184822.db2.gz PJYAGEUZULBZJA-CLCOLTQESA-N -1 3 556.070 4.576 40 10 KJCBHM Cc1[n-]n(-c2ccc(Br)cc2C)c(=O)c1C=Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C ZINC000408534359 572186122 /nfs/dbraw/zinc/18/61/22/572186122.db2.gz QPJJOVPIVICHHR-CYVLTUHYSA-N -1 3 537.462 4.657 40 10 KJCBHM Cc1[n-]n(-c2ccc(Br)cc2)c(=O)c1C=Nc1cc2c(cc1N1CCN(c3ccccc3)CC1)n(C)c(=O)n2C ZINC000408534961 572187523 /nfs/dbraw/zinc/18/75/23/572187523.db2.gz RWRGEUQODRJEEY-CLCOLTQESA-N -1 3 600.521 4.685 40 10 KJCBHM Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1cc2[nH]c(=O)[nH]c2cc1N1CCN(c2ccccc2)CC1 ZINC000408535156 572187805 /nfs/dbraw/zinc/18/78/05/572187805.db2.gz XTZYPQSIEKJKLS-NKFKGCMQSA-N -1 3 507.598 4.622 40 10 KJCBHM Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1cc2c(cc1N1CCN(c3ccccc3)CC1)n(C)c(=O)n2C ZINC000408535879 572189716 /nfs/dbraw/zinc/18/97/16/572189716.db2.gz UJEGVGLBBVYBQD-QOMWVZHYSA-N -1 3 549.679 4.539 40 10 KJCBHM COc1cc(-n2[n-]c(C)c(C=Nc3cc4c(cc3N3CCN(c5ccccc5)CC3)n(C)c(=O)n4C)c2=O)ccc1Cl ZINC000408535905 572189608 /nfs/dbraw/zinc/18/96/08/572189608.db2.gz UNWNCWBMKJORDC-NMWGTECJSA-N -1 3 586.096 4.584 40 10 KJCBHM Cc1[n-]n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(=O)c1C=Nc1cc2c(cc1N1CCN(C)CC1)n(C)c(=O)n2C ZINC000408536045 572190238 /nfs/dbraw/zinc/19/02/38/572190238.db2.gz VKAQUFZHKYKYPA-HFTWOUSFSA-N -1 3 593.776 4.815 40 10 KJCBHM Cc1[n-]n(-c2c(Cl)cc(Cl)cc2Cl)c(=O)c1C=Nc1cc2c(cc1N(C)C)n(C)c(=O)n2C ZINC000408537410 572194163 /nfs/dbraw/zinc/19/41/63/572194163.db2.gz DSSLNIVTVRRLHY-RAXLEYEMSA-N -1 3 507.809 4.622 40 10 KJCBHM COc1cc(/C=C2/SC([N-]C(C)=O)=NC2=O)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408540098 572204696 /nfs/dbraw/zinc/20/46/96/572204696.db2.gz MZUQNUWNJOPBJX-CVKSISIWSA-N -1 3 518.591 4.968 40 10 KJCBHM COc1cc(/C=C2/SC([N-]C(C)=O)=NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408550334 572233888 /nfs/dbraw/zinc/23/38/88/572233888.db2.gz CWGZESNTFCHXJV-REZTVBANSA-N -1 3 528.801 4.779 40 10 KJCBHM CCOc1cc(/C=C2/SC([N-]C(C)=O)=NC2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408550416 572234142 /nfs/dbraw/zinc/23/41/42/572234142.db2.gz DRIFWYGYDWVURH-DJKKODMXSA-N -1 3 508.383 4.516 40 10 KJCBHM COc1cc(/C=C2/SC([N-]C(C)=O)=NC2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552175 572237635 /nfs/dbraw/zinc/23/76/35/572237635.db2.gz OYHADBXKMMDQKO-REZTVBANSA-N -1 3 620.252 4.731 40 10 KJCBHM CC(=O)[N-]C1=NC(=O)/C(=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)S1 ZINC000408552249 572238271 /nfs/dbraw/zinc/23/82/71/572238271.db2.gz IKHBXHOPWCCBHI-REZTVBANSA-N -1 3 543.226 4.880 40 10 KJCBHM COc1cc(/C=C2/SC([N-]C(C)=O)=NC2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408553324 572240250 /nfs/dbraw/zinc/24/02/50/572240250.db2.gz NWELTCAATYQHTE-REZTVBANSA-N -1 3 573.252 4.888 40 10 KJCBHM CC(=O)[N-]C1=NC(=O)/C(=C\c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Br)c2)S1 ZINC000408554184 572241703 /nfs/dbraw/zinc/24/17/03/572241703.db2.gz QOWRSDGDVIHXAN-REZTVBANSA-N -1 3 543.226 4.880 40 10 KJCBHM COc1cc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCC(=O)OC(C)C ZINC000408602944 572273500 /nfs/dbraw/zinc/27/35/00/572273500.db2.gz PDUZBBCNDBVJLJ-JAIQZWGSSA-N -1 3 535.043 4.534 40 10 KJCBHM COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Br)c1[O-] ZINC000408896537 1066260421 /nfs/dbraw/zinc/26/04/21/1066260421.db2.gz RSASNQGBYSHBBW-UHFFFAOYSA-N -1 3 509.381 4.912 40 10 KJCBHM O=C1C(=Cc2ccc([O-])c(I)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000408904223 1066262760 /nfs/dbraw/zinc/26/27/60/1066262760.db2.gz GRBDXMSZQBWNIP-UHFFFAOYSA-N -1 3 510.287 4.580 40 10 KJCBHM O=C1C(=Cc2ccc([O-])c(I)c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408904482 1066263561 /nfs/dbraw/zinc/26/35/61/1066263561.db2.gz KFBFCTZZPZNGDF-UHFFFAOYSA-N -1 3 526.355 4.745 40 10 KJCBHM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409141215 1066914106 /nfs/dbraw/zinc/91/41/06/1066914106.db2.gz MPWMAYMUPBZUGD-BKUYFWCQSA-N -1 3 620.086 4.879 40 10 KJCBHM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc(I)c1O ZINC000409141219 1066913941 /nfs/dbraw/zinc/91/39/41/1066913941.db2.gz MQKNMLZXRADKID-OVCLIPMQSA-N -1 3 560.822 4.513 40 10 KJCBHM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc(I)c1OC ZINC000409142092 1066328222 /nfs/dbraw/zinc/32/82/22/1066328222.db2.gz BCECVUVPGAGRPE-CXUHLZMHSA-N -1 3 574.849 4.816 40 10 KJCBHM CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc1OC ZINC000409142695 1066912934 /nfs/dbraw/zinc/91/29/34/1066912934.db2.gz BJYMECZZDAZVBI-ZDLGFXPLSA-N -1 3 555.461 4.799 40 10 KJCBHM COc1cc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1OS(=O)(=O)c1ccccc1 ZINC000409142934 1066329298 /nfs/dbraw/zinc/32/92/98/1066329298.db2.gz LXFFOFVFWINVJO-HMAPJEAMSA-N -1 3 575.089 4.971 40 10 KJCBHM CCOC(=O)COc1ccc(Br)cc1/C=C1/SC(=S)N([N-]C(=O)c2ccc(C)cc2Cl)C1=O ZINC000409143184 1066912032 /nfs/dbraw/zinc/91/20/32/1066912032.db2.gz VQNLRGRCXJFLBY-VCHYOVAHSA-N -1 3 569.886 4.899 40 10 KJCBHM COC(=O)COc1cc(Br)c(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc1OC ZINC000409144556 1066911306 /nfs/dbraw/zinc/91/13/06/1066911306.db2.gz KQMFAUOAYUHQCR-QGMBQPNBSA-N -1 3 585.885 4.518 40 10 KJCBHM CCOc1cc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc(Cl)c1OCC(=O)OC ZINC000409145240 1066918913 /nfs/dbraw/zinc/91/89/13/1066918913.db2.gz NIFGKLQXNCJALU-ZDLGFXPLSA-N -1 3 555.461 4.799 40 10 KJCBHM COc1cc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)c(Br)cc1O ZINC000409145251 1066918792 /nfs/dbraw/zinc/91/87/92/1066918792.db2.gz NFTPQNITXAUBSM-APSNUPSMSA-N -1 3 513.822 4.671 40 10 KJCBHM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc(I)c1OCC(=O)OC ZINC000409145685 1066329790 /nfs/dbraw/zinc/32/97/90/1066329790.db2.gz PCBKEOKKYBVSGQ-VCHYOVAHSA-N -1 3 646.912 4.750 40 10 KJCBHM CCOC(=O)COc1c(Br)cc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc1OC ZINC000409146578 1066917967 /nfs/dbraw/zinc/91/79/67/1066917967.db2.gz UESNVCMUEMZANU-ZDLGFXPLSA-N -1 3 599.912 4.908 40 10 KJCBHM COC(=O)COc1ccc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc1Br ZINC000409147249 1066328270 /nfs/dbraw/zinc/32/82/70/1066328270.db2.gz VNUGEWZIKBOZNU-RQZCQDPDSA-N -1 3 555.859 4.509 40 10 KJCBHM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc(Br)c1OC ZINC000409147382 1066927940 /nfs/dbraw/zinc/92/79/40/1066927940.db2.gz XFWREJOQQWIVHO-CXUHLZMHSA-N -1 3 527.849 4.974 40 10 KJCBHM Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc([O-])c(I)c3)SC2=S)c(Cl)c1 ZINC000409149304 1066328609 /nfs/dbraw/zinc/32/86/09/1066328609.db2.gz BBUWZTIGDZUOJS-NVNXTCNLSA-N -1 3 530.796 4.505 40 10 KJCBHM COc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc(Br)c1[O-] ZINC000409149438 1066926775 /nfs/dbraw/zinc/92/67/75/1066926775.db2.gz GFTDCRKQJIBFIB-REZTVBANSA-N -1 3 523.474 4.612 40 10 KJCBHM COC(=O)COc1ccc(Br)cc1/C=C1/SC(=S)N([N-]C(=O)c2ccc(C)cc2Cl)C1=O ZINC000409149825 1066328798 /nfs/dbraw/zinc/32/87/98/1066328798.db2.gz RSTHCAZEMUSUKG-RQZCQDPDSA-N -1 3 555.859 4.509 40 10 KJCBHM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc(I)c1O ZINC000409150020 1066925902 /nfs/dbraw/zinc/92/59/02/1066925902.db2.gz YJEMWEXQGYIQGR-CXUHLZMHSA-N -1 3 574.849 4.904 40 10 KJCBHM CCOC(=O)COc1c(I)cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc1OC ZINC000409160285 1066933434 /nfs/dbraw/zinc/93/34/34/1066933434.db2.gz FXZSSSUYCKKRKG-VCHYOVAHSA-N -1 3 646.912 4.750 40 10 KJCBHM CCOc1cc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc(Br)c1OCC(=O)OC ZINC000409161803 1066206137 /nfs/dbraw/zinc/20/61/37/1066206137.db2.gz PVQMLHOJCQVBBG-ZDLGFXPLSA-N -1 3 599.912 4.908 40 10 KJCBHM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc(Br)c1O ZINC000409162100 1066931687 /nfs/dbraw/zinc/93/16/87/1066931687.db2.gz RMSFVVRQWIZNSQ-OVCLIPMQSA-N -1 3 513.822 4.671 40 10 KJCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3ccc(Br)c([N+](=O)[O-])c3)SC2=S)c(Cl)c1 ZINC000409205217 1066958780 /nfs/dbraw/zinc/95/87/80/1066958780.db2.gz GLZHQEYHZYHLIU-NVNXTCNLSA-N -1 3 512.794 4.865 40 10 KJCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3cccn3Cc3ccccc3[N+](=O)[O-])SC2=S)c(Cl)c1 ZINC000409329757 1067054777 /nfs/dbraw/zinc/05/47/77/1067054777.db2.gz HSRIZUDVOIUYNG-UDWIEESQSA-N -1 3 513.000 4.953 40 10 KJCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3ccc(I)cc3)SC2=S)c(Cl)c1 ZINC000409349436 1067073278 /nfs/dbraw/zinc/07/32/78/1067073278.db2.gz PVWZTYXGUOHBJV-DHDCSXOGSA-N -1 3 514.797 4.799 40 10 KJCBHM COc1ccc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc1I ZINC000409349736 1067072519 /nfs/dbraw/zinc/07/25/19/1067072519.db2.gz WDDYESHAQMABCN-SXGWCWSVSA-N -1 3 544.823 4.808 40 10 KJCBHM CCOc1cc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCC(=O)N1CCCC1 ZINC000409351805 1067070844 /nfs/dbraw/zinc/07/08/44/1067070844.db2.gz ZHCZANXEWJKFNR-HMAPJEAMSA-N -1 3 560.097 4.595 40 10 KJCBHM CCOC(=O)COc1ccc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc1OCC ZINC000409359433 1067083045 /nfs/dbraw/zinc/08/30/45/1067083045.db2.gz OIGYXQKMRYOYKM-NDENLUEZSA-N -1 3 535.043 4.535 40 10 KJCBHM