smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1)[C@H]3c1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000000950838 551589271 /nfs/dbraw/zinc/58/92/71/551589271.db2.gz YOOHXOKNVQNNGU-HJOGWXRNSA-N -1 3 547.589 4.763 40 5 KJBBHM CCOC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1)[C@@H]3c1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000001239805 551630577 /nfs/dbraw/zinc/63/05/77/551630577.db2.gz YOOHXOKNVQNNGU-VXNXHJTFSA-N -1 3 547.589 4.763 40 5 KJBBHM COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000001298661 551637684 /nfs/dbraw/zinc/63/76/84/551637684.db2.gz XDJVBOVYZPVUFC-VABKMULXSA-N -1 3 544.347 4.970 40 5 KJBBHM COc1cc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000001314398 551639971 /nfs/dbraw/zinc/63/99/71/551639971.db2.gz SMCKRAPUDIDSSG-QKDODKLFSA-N -1 3 525.517 4.816 40 5 KJBBHM COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1Br ZINC000001314469 551639947 /nfs/dbraw/zinc/63/99/47/551639947.db2.gz KTGJPNGCODAZTE-VABKMULXSA-N -1 3 538.354 4.725 40 5 KJBBHM COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1Br ZINC000001316698 551640660 /nfs/dbraw/zinc/64/06/60/551640660.db2.gz PQOCXMGKHRLBJX-FKBYEOEOSA-N -1 3 542.317 4.556 40 5 KJBBHM CCOc1cc([C@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1[O-] ZINC000001317525 551641062 /nfs/dbraw/zinc/64/10/62/551641062.db2.gz YTGUMACEWQRQPH-WPFOTENUSA-N -1 3 568.380 4.508 40 5 KJBBHM O=C1c2ccc(Oc3ccc(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)cc3)cc2C(=O)N1c1ccc([O-])cc1 ZINC000001424025 551669003 /nfs/dbraw/zinc/66/90/03/551669003.db2.gz UKOIWZWDLNXKBJ-UHFFFAOYSA-N -1 3 521.441 4.694 40 5 KJBBHM Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000001879290 551723864 /nfs/dbraw/zinc/72/38/64/551723864.db2.gz CSMNRWJAVWAZLV-FCEKVYKBSA-N -1 3 585.594 4.722 40 5 KJBBHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OS(=O)(=O)c3ccccc3)cc2)c1 ZINC000001898595 551729573 /nfs/dbraw/zinc/72/95/73/551729573.db2.gz FIXGWXNWRWCBJM-FCEKVYKBSA-N -1 3 585.594 4.722 40 5 KJBBHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000001899138 551729816 /nfs/dbraw/zinc/72/98/16/551729816.db2.gz DVCZDRCEAYRFBE-FCEKVYKBSA-N -1 3 585.594 4.722 40 5 KJBBHM CCOc1ccc([N-]S(=O)(=O)c2ccc(N3C(=O)c4ccc([N+](=O)[O-])c5c([N+](=O)[O-])ccc(c45)C3=O)cc2)cc1 ZINC000003044903 552275604 /nfs/dbraw/zinc/27/56/04/552275604.db2.gz BCTIUBRRWJEFDM-UHFFFAOYSA-N -1 3 562.516 4.656 40 5 KJBBHM CCOc1ccc([N-]S(=O)(=O)c2ccc(N3C(=O)c4cc([N+](=O)[O-])cc5cc([N+](=O)[O-])cc(c54)C3=O)cc2)cc1 ZINC000003044942 552275671 /nfs/dbraw/zinc/27/56/71/552275671.db2.gz HWBXKDXSIYNLAX-UHFFFAOYSA-N -1 3 562.516 4.656 40 5 KJBBHM CCOC(=O)CN(C(=O)CSc1nnc(-c2ccccc2[O-])n1-c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000006089301 552531286 /nfs/dbraw/zinc/53/12/86/552531286.db2.gz LLBNVCHUBOHQBJ-UHFFFAOYSA-N -1 3 547.593 4.545 40 5 KJBBHM CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000008741579 553132874 /nfs/dbraw/zinc/13/28/74/553132874.db2.gz NILNZZSEIZWHAH-BDTNDASRSA-N -1 3 521.551 4.501 40 5 KJBBHM CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000008741592 553132856 /nfs/dbraw/zinc/13/28/56/553132856.db2.gz ULOLGBZDOHNAAX-BDTNDASRSA-N -1 3 521.551 4.501 40 5 KJBBHM COc1cc([N+](=O)[O-])ccc1[N-]c1c2cccc3c2c(cc1[N+](=O)[O-])C(=O)N(c1ccc(O)cc1)C3=O ZINC000008742363 553133355 /nfs/dbraw/zinc/13/33/55/553133355.db2.gz VRPMNOHRVSZEKM-UHFFFAOYSA-N -1 3 500.423 4.915 40 5 KJBBHM O=C(NC(=S)Nc1ccc([O-])c(-c2nc3ccccc3o2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000008833163 553159748 /nfs/dbraw/zinc/15/97/48/553159748.db2.gz UAKDKADDSQATNI-UHFFFAOYSA-N -1 3 503.540 4.836 40 5 KJBBHM O=C(CSc1nnc(-c2cc3ccccc3cc2[O-])o1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000009057065 553204394 /nfs/dbraw/zinc/20/43/94/553204394.db2.gz PKAOEAIGCUJCHC-UHFFFAOYSA-N -1 3 501.318 4.997 40 5 KJBBHM CC(=O)[C@H]1C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N12 ZINC000009349768 553244952 /nfs/dbraw/zinc/24/49/52/553244952.db2.gz ZMDOZOHHCXQZTJ-YKKMPQLRSA-N -1 3 513.937 4.810 40 5 KJBBHM COc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000009359009 553247935 /nfs/dbraw/zinc/24/79/35/553247935.db2.gz HXEWDDRSXPSICH-BDTNDASRSA-N -1 3 514.321 4.961 40 5 KJBBHM CC(=O)[C@H]1C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N12 ZINC000009460893 553266917 /nfs/dbraw/zinc/26/69/17/553266917.db2.gz ZMDOZOHHCXQZTJ-MEWSVHOLSA-N -1 3 513.937 4.810 40 5 KJBBHM CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000012017339 553350265 /nfs/dbraw/zinc/35/02/65/553350265.db2.gz ULOLGBZDOHNAAX-FSSWDIPSSA-N -1 3 521.551 4.501 40 5 KJBBHM COC(=O)[C@@H](Cc1ccc(Cl)cc1Cl)Sc1nnc([N-]C(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000012274165 553356163 /nfs/dbraw/zinc/35/61/63/553356163.db2.gz GSWDFBUOACIXFW-OAHLLOKOSA-N -1 3 513.384 4.882 40 5 KJBBHM COC(=O)[C@H](Cc1ccc(Cl)cc1Cl)Sc1nnc([N-]C(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000012274166 553356133 /nfs/dbraw/zinc/35/61/33/553356133.db2.gz GSWDFBUOACIXFW-HNNXBMFYSA-N -1 3 513.384 4.882 40 5 KJBBHM COc1c(Br)cc(Br)cc1C(=O)NC(=S)[N-]c1ccc(C)cc1[N+](=O)[O-] ZINC000014274318 553507297 /nfs/dbraw/zinc/50/72/97/553507297.db2.gz BFOZRVJAAGRFNU-UHFFFAOYSA-N -1 3 503.172 4.564 40 5 KJBBHM CCOc1c([O-])ccc([C@@H]2Nc3ccc(Br)cc3-c3nnc(SC)nc3O2)c1[N+](=O)[O-] ZINC000015015637 553525780 /nfs/dbraw/zinc/52/57/80/553525780.db2.gz KNIMJNPQDOQJIV-QGZVFWFLSA-N -1 3 506.338 4.539 40 5 KJBBHM CCOc1c([O-])ccc([C@H]2Nc3ccc(Br)cc3-c3nnc(SC)nc3O2)c1[N+](=O)[O-] ZINC000015015638 553525747 /nfs/dbraw/zinc/52/57/47/553525747.db2.gz KNIMJNPQDOQJIV-KRWDZBQOSA-N -1 3 506.338 4.539 40 5 KJBBHM Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)ccc3[O-])oc2cc1C ZINC000016284187 553558649 /nfs/dbraw/zinc/55/86/49/553558649.db2.gz KQVCFFQRXBIIQS-UHFFFAOYSA-N -1 3 507.484 4.760 40 5 KJBBHM CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000017838018 553600251 /nfs/dbraw/zinc/60/02/51/553600251.db2.gz JKALMILGQCTTEK-ZNZIZOMTSA-N -1 3 517.538 4.833 40 5 KJBBHM CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000017887616 553600332 /nfs/dbraw/zinc/60/03/32/553600332.db2.gz NILNZZSEIZWHAH-FSSWDIPSSA-N -1 3 521.551 4.501 40 5 KJBBHM CCCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000018046390 553602042 /nfs/dbraw/zinc/60/20/42/553602042.db2.gz RXTZBZXMDAUWOR-ZNZIZOMTSA-N -1 3 517.538 4.833 40 5 KJBBHM COc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccc(Cl)cc1Cl ZINC000018155368 553606531 /nfs/dbraw/zinc/60/65/31/553606531.db2.gz HXEWDDRSXPSICH-FSSWDIPSSA-N -1 3 514.321 4.961 40 5 KJBBHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3)S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)c(C)c1 ZINC000059858568 554456023 /nfs/dbraw/zinc/45/60/23/554456023.db2.gz KTTXAJSAZKCFSA-UHFFFAOYSA-N -1 3 594.671 4.846 40 5 KJBBHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3ccccc3)cc2)cc1C ZINC000059885682 554465024 /nfs/dbraw/zinc/46/50/24/554465024.db2.gz KQUXHSMFAOSQGQ-UHFFFAOYSA-N -1 3 594.671 4.846 40 5 KJBBHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3)S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)cc1C ZINC000059885866 554465500 /nfs/dbraw/zinc/46/55/00/554465500.db2.gz RQCXCQVULHRVRR-UHFFFAOYSA-N -1 3 594.671 4.846 40 5 KJBBHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000059885952 554465742 /nfs/dbraw/zinc/46/57/42/554465742.db2.gz WEOZOOKEYUMZMH-UHFFFAOYSA-N -1 3 594.671 4.846 40 5 KJBBHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3[N+](=O)[O-])S(=O)(=O)c3ccccc3)cc2)c(C)c1 ZINC000059886379 554466665 /nfs/dbraw/zinc/46/66/65/554466665.db2.gz XZDFBEGLCHZSST-UHFFFAOYSA-N -1 3 594.671 4.846 40 5 KJBBHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc([N+](=O)[O-])c3)S(=O)(=O)c3ccccc3)cc2)cc1C ZINC000059887625 554469244 /nfs/dbraw/zinc/46/92/44/554469244.db2.gz KUIPFBJZGCSTCH-UHFFFAOYSA-N -1 3 594.671 4.846 40 5 KJBBHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc([N+](=O)[O-])c3)S(=O)(=O)c3ccccc3)cc2)c(C)c1 ZINC000059887915 554470054 /nfs/dbraw/zinc/47/00/54/554470054.db2.gz LFJQQGFEJIHYTG-UHFFFAOYSA-N -1 3 594.671 4.846 40 5 KJBBHM CCc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000097954184 553821886 /nfs/dbraw/zinc/82/18/86/553821886.db2.gz JXJTWXJZSZYYJA-VABKMULXSA-N -1 3 522.355 4.971 40 5 KJBBHM O=C(Oc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000097954683 553824632 /nfs/dbraw/zinc/82/46/32/553824632.db2.gz CULCPBQILUMGDD-QKDODKLFSA-N -1 3 535.512 4.865 40 5 KJBBHM O=C(Oc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000097954748 553825405 /nfs/dbraw/zinc/82/54/05/553825405.db2.gz KGBLZUFTTAWBDC-QKDODKLFSA-N -1 3 535.512 4.865 40 5 KJBBHM COc1ccc(Br)cc1[C@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C([O-])=C2ON1c1cccc([N+](=O)[O-])c1 ZINC000097954864 553826127 /nfs/dbraw/zinc/82/61/27/553826127.db2.gz ZHOHUBOBSUQXHY-FKBYEOEOSA-N -1 3 542.317 4.556 40 5 KJBBHM CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000100766377 554469864 /nfs/dbraw/zinc/46/98/64/554469864.db2.gz NILNZZSEIZWHAH-FKBYEOEOSA-N -1 3 521.551 4.501 40 5 KJBBHM CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000100766380 554469889 /nfs/dbraw/zinc/46/98/89/554469889.db2.gz NILNZZSEIZWHAH-VSKRKVRLSA-N -1 3 521.551 4.501 40 5 KJBBHM CCOC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccccc1)[C@H]3c1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000100766422 554469911 /nfs/dbraw/zinc/46/99/11/554469911.db2.gz YOOHXOKNVQNNGU-SGNDLWITSA-N -1 3 547.589 4.763 40 5 KJBBHM CCOC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccccc1)[C@@H]3c1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000100766430 554469850 /nfs/dbraw/zinc/46/98/50/554469850.db2.gz YOOHXOKNVQNNGU-SMIHKQSGSA-N -1 3 547.589 4.763 40 5 KJBBHM CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000100766483 554470324 /nfs/dbraw/zinc/47/03/24/554470324.db2.gz ULOLGBZDOHNAAX-FKBYEOEOSA-N -1 3 521.551 4.501 40 5 KJBBHM CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000100766488 554470232 /nfs/dbraw/zinc/47/02/32/554470232.db2.gz ULOLGBZDOHNAAX-VSKRKVRLSA-N -1 3 521.551 4.501 40 5 KJBBHM COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000101097006 554584835 /nfs/dbraw/zinc/58/48/35/554584835.db2.gz XDJVBOVYZPVUFC-VJBWXMMDSA-N -1 3 544.347 4.970 40 5 KJBBHM CCc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000101101606 554638886 /nfs/dbraw/zinc/63/88/86/554638886.db2.gz JXJTWXJZSZYYJA-VJBWXMMDSA-N -1 3 522.355 4.971 40 5 KJBBHM CCCCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000101108143 554640484 /nfs/dbraw/zinc/64/04/84/554640484.db2.gz RXTZBZXMDAUWOR-GSDHBNRESA-N -1 3 517.538 4.833 40 5 KJBBHM CCOC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccccc1)[C@H]3c1cccc([N+](=O)[O-])c1)CCCC2 ZINC000101125580 554644877 /nfs/dbraw/zinc/64/48/77/554644877.db2.gz RKULNISVQLWWTA-SGNDLWITSA-N -1 3 547.589 4.763 40 5 KJBBHM CCOC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1)[C@H]3c1cccc([N+](=O)[O-])c1)CCCC2 ZINC000101125586 554644833 /nfs/dbraw/zinc/64/48/33/554644833.db2.gz RKULNISVQLWWTA-HJOGWXRNSA-N -1 3 547.589 4.763 40 5 KJBBHM CCOC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccccc1)[C@@H]3c1cccc([N+](=O)[O-])c1)CCCC2 ZINC000101125589 554644820 /nfs/dbraw/zinc/64/48/20/554644820.db2.gz RKULNISVQLWWTA-SMIHKQSGSA-N -1 3 547.589 4.763 40 5 KJBBHM CCOC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1)[C@@H]3c1cccc([N+](=O)[O-])c1)CCCC2 ZINC000101125592 554644867 /nfs/dbraw/zinc/64/48/67/554644867.db2.gz RKULNISVQLWWTA-VXNXHJTFSA-N -1 3 547.589 4.763 40 5 KJBBHM O=C(Oc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000101152747 554657796 /nfs/dbraw/zinc/65/77/96/554657796.db2.gz CULCPBQILUMGDD-PVHODMMVSA-N -1 3 535.512 4.865 40 5 KJBBHM O=C(Oc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000101161849 554659768 /nfs/dbraw/zinc/65/97/68/554659768.db2.gz KGBLZUFTTAWBDC-PVHODMMVSA-N -1 3 535.512 4.865 40 5 KJBBHM CCCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000101173430 554662242 /nfs/dbraw/zinc/66/22/42/554662242.db2.gz JKALMILGQCTTEK-GSDHBNRESA-N -1 3 517.538 4.833 40 5 KJBBHM COc1cc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000101174731 554662439 /nfs/dbraw/zinc/66/24/39/554662439.db2.gz SMCKRAPUDIDSSG-PVHODMMVSA-N -1 3 525.517 4.816 40 5 KJBBHM COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1Br ZINC000101176766 554664536 /nfs/dbraw/zinc/66/45/36/554664536.db2.gz KTGJPNGCODAZTE-VJBWXMMDSA-N -1 3 538.354 4.725 40 5 KJBBHM COc1ccc(Br)cc1[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C([O-])=C2ON1c1cccc([N+](=O)[O-])c1 ZINC000101181468 554667103 /nfs/dbraw/zinc/66/71/03/554667103.db2.gz ZHOHUBOBSUQXHY-FSSWDIPSSA-N -1 3 542.317 4.556 40 5 KJBBHM COc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccc(Cl)cc1Cl ZINC000101188234 554669845 /nfs/dbraw/zinc/66/98/45/554669845.db2.gz HXEWDDRSXPSICH-FKBYEOEOSA-N -1 3 514.321 4.961 40 5 KJBBHM COc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000101188238 554669832 /nfs/dbraw/zinc/66/98/32/554669832.db2.gz HXEWDDRSXPSICH-VSKRKVRLSA-N -1 3 514.321 4.961 40 5 KJBBHM COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1Br ZINC000101200146 554672546 /nfs/dbraw/zinc/67/25/46/554672546.db2.gz PQOCXMGKHRLBJX-FSSWDIPSSA-N -1 3 542.317 4.556 40 5 KJBBHM CCOc1cc([C@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1[O-] ZINC000101672377 554826045 /nfs/dbraw/zinc/82/60/45/554826045.db2.gz YTGUMACEWQRQPH-GPXNEJASSA-N -1 3 568.380 4.508 40 5 KJBBHM CCOc1cc([C@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1[O-] ZINC000101672384 554826009 /nfs/dbraw/zinc/82/60/09/554826009.db2.gz YTGUMACEWQRQPH-FIXSFTCYSA-N -1 3 568.380 4.508 40 5 KJBBHM COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC ZINC000101672783 554826279 /nfs/dbraw/zinc/82/62/79/554826279.db2.gz TXOPZUAEOPGLDM-QQNWGBJXSA-N -1 3 555.543 4.825 40 5 KJBBHM COc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC ZINC000101672790 554826356 /nfs/dbraw/zinc/82/63/56/554826356.db2.gz TXOPZUAEOPGLDM-VBOOUTDYSA-N -1 3 555.543 4.825 40 5 KJBBHM Cc1cc2ccccc2c(=O)n1Nc1nc([N-]c2ccc([N+](=O)[O-])cc2)nc(Nn2c(C)cc3ccccc3c2=O)n1 ZINC000102212368 554897129 /nfs/dbraw/zinc/89/71/29/554897129.db2.gz DIFXGEHIMOFJPT-UHFFFAOYSA-N -1 3 561.562 4.520 40 5 KJBBHM Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000102548055 554960245 /nfs/dbraw/zinc/96/02/45/554960245.db2.gz CSMNRWJAVWAZLV-PKTNWEFCSA-N -1 3 585.594 4.722 40 5 KJBBHM Cc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000102548058 554960304 /nfs/dbraw/zinc/96/03/04/554960304.db2.gz CSMNRWJAVWAZLV-KCHLEUMXSA-N -1 3 585.594 4.722 40 5 KJBBHM Cc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000102548063 554960177 /nfs/dbraw/zinc/96/01/77/554960177.db2.gz CSMNRWJAVWAZLV-IARZGTGTSA-N -1 3 585.594 4.722 40 5 KJBBHM O=C1[C@@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@H]2c1cc2ccccc2nc1Cl ZINC000102735981 555026212 /nfs/dbraw/zinc/02/62/12/555026212.db2.gz KARGIIANLDRNMK-VABKMULXSA-N -1 3 500.898 4.848 40 5 KJBBHM O=C1[C@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@H]2c1cc2ccccc2nc1Cl ZINC000102735984 555026159 /nfs/dbraw/zinc/02/61/59/555026159.db2.gz KARGIIANLDRNMK-VJBWXMMDSA-N -1 3 500.898 4.848 40 5 KJBBHM COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000102739120 555027682 /nfs/dbraw/zinc/02/76/82/555027682.db2.gz XDJVBOVYZPVUFC-XPWALMASSA-N -1 3 544.347 4.970 40 5 KJBBHM CCc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102740848 555029770 /nfs/dbraw/zinc/02/97/70/555029770.db2.gz JXJTWXJZSZYYJA-XPWALMASSA-N -1 3 522.355 4.971 40 5 KJBBHM CCCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000102742446 555031715 /nfs/dbraw/zinc/03/17/15/555031715.db2.gz RXTZBZXMDAUWOR-UODIDJSMSA-N -1 3 517.538 4.833 40 5 KJBBHM O=C(Oc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000102756012 555048583 /nfs/dbraw/zinc/04/85/83/555048583.db2.gz KGBLZUFTTAWBDC-KWXIBIRDSA-N -1 3 535.512 4.865 40 5 KJBBHM CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000102758089 555050262 /nfs/dbraw/zinc/05/02/62/555050262.db2.gz JKALMILGQCTTEK-UODIDJSMSA-N -1 3 517.538 4.833 40 5 KJBBHM COc1cc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000102758313 555050280 /nfs/dbraw/zinc/05/02/80/555050280.db2.gz SMCKRAPUDIDSSG-KWXIBIRDSA-N -1 3 525.517 4.816 40 5 KJBBHM COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1Br ZINC000102758669 555050719 /nfs/dbraw/zinc/05/07/19/555050719.db2.gz KTGJPNGCODAZTE-XPWALMASSA-N -1 3 538.354 4.725 40 5 KJBBHM COc1ccc(Br)cc1[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C([O-])=C2ON1c1cccc([N+](=O)[O-])c1 ZINC000102759431 555051233 /nfs/dbraw/zinc/05/12/33/555051233.db2.gz ZHOHUBOBSUQXHY-BHIFYINESA-N -1 3 542.317 4.556 40 5 KJBBHM O=C1[C@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@@H]2c1ccc(F)c(Br)c1 ZINC000102759788 555051726 /nfs/dbraw/zinc/05/17/26/555051726.db2.gz YCWQKBYHWRTJHQ-NJYVYQBISA-N -1 3 512.291 4.548 40 5 KJBBHM COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1Br ZINC000102761235 555052371 /nfs/dbraw/zinc/05/23/71/555052371.db2.gz PQOCXMGKHRLBJX-BHIFYINESA-N -1 3 542.317 4.556 40 5 KJBBHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000102886769 555117547 /nfs/dbraw/zinc/11/75/47/555117547.db2.gz DVCZDRCEAYRFBE-PKTNWEFCSA-N -1 3 585.594 4.722 40 5 KJBBHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000102886772 555117517 /nfs/dbraw/zinc/11/75/17/555117517.db2.gz DVCZDRCEAYRFBE-KCHLEUMXSA-N -1 3 585.594 4.722 40 5 KJBBHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000102886776 555117576 /nfs/dbraw/zinc/11/75/76/555117576.db2.gz DVCZDRCEAYRFBE-IARZGTGTSA-N -1 3 585.594 4.722 40 5 KJBBHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000102887147 555118130 /nfs/dbraw/zinc/11/81/30/555118130.db2.gz COHIBGBERYDFRK-PKTNWEFCSA-N -1 3 565.538 4.874 40 5 KJBBHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000102887148 555118259 /nfs/dbraw/zinc/11/82/59/555118259.db2.gz COHIBGBERYDFRK-KCHLEUMXSA-N -1 3 565.538 4.874 40 5 KJBBHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000102887151 555118276 /nfs/dbraw/zinc/11/82/76/555118276.db2.gz COHIBGBERYDFRK-FCEKVYKBSA-N -1 3 565.538 4.874 40 5 KJBBHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000102887154 555118270 /nfs/dbraw/zinc/11/82/70/555118270.db2.gz COHIBGBERYDFRK-IARZGTGTSA-N -1 3 565.538 4.874 40 5 KJBBHM O=C(Oc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 ZINC000102889685 555124248 /nfs/dbraw/zinc/12/42/48/555124248.db2.gz HUFMLFFVGLRPHU-PVHODMMVSA-N -1 3 580.509 4.773 40 5 KJBBHM O=C(Oc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 ZINC000102889690 555124156 /nfs/dbraw/zinc/12/41/56/555124156.db2.gz HUFMLFFVGLRPHU-QKDODKLFSA-N -1 3 580.509 4.773 40 5 KJBBHM COc1cc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000102893273 555130540 /nfs/dbraw/zinc/13/05/40/555130540.db2.gz NACQJOHCJVBLGN-PKTNWEFCSA-N -1 3 565.538 4.874 40 5 KJBBHM COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000102893278 555130622 /nfs/dbraw/zinc/13/06/22/555130622.db2.gz NACQJOHCJVBLGN-KCHLEUMXSA-N -1 3 565.538 4.874 40 5 KJBBHM CCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OC)c(OC)c2OC)cc1 ZINC000102893309 555130549 /nfs/dbraw/zinc/13/05/49/555130549.db2.gz XEPTUFMXUZSMFQ-QQNWGBJXSA-N -1 3 577.590 4.851 40 5 KJBBHM CCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OC)c(OC)c2OC)cc1 ZINC000102893310 555130573 /nfs/dbraw/zinc/13/05/73/555130573.db2.gz XEPTUFMXUZSMFQ-VBOOUTDYSA-N -1 3 577.590 4.851 40 5 KJBBHM CCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OC)c(OC)c2OC)cc1 ZINC000102893312 555130619 /nfs/dbraw/zinc/13/06/19/555130619.db2.gz XEPTUFMXUZSMFQ-SKVJQKLOSA-N -1 3 577.590 4.851 40 5 KJBBHM CCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OC)c(OC)c2OC)cc1 ZINC000102893315 555130524 /nfs/dbraw/zinc/13/05/24/555130524.db2.gz XEPTUFMXUZSMFQ-OARDWFSCSA-N -1 3 577.590 4.851 40 5 KJBBHM COc1cc([C@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 ZINC000102895219 555133766 /nfs/dbraw/zinc/13/37/66/555133766.db2.gz JJWRMUDJDIYGKZ-PKTNWEFCSA-N -1 3 565.538 4.874 40 5 KJBBHM COc1cc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 ZINC000102895222 555133709 /nfs/dbraw/zinc/13/37/09/555133709.db2.gz JJWRMUDJDIYGKZ-KCHLEUMXSA-N -1 3 565.538 4.874 40 5 KJBBHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OC)c(Br)c2)cc1 ZINC000102895630 555134909 /nfs/dbraw/zinc/13/49/09/555134909.db2.gz ZVDLMIMHKPDZTD-SGNDLWITSA-N -1 3 568.380 4.816 40 5 KJBBHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OC)c(Br)c2)cc1 ZINC000102895633 555134872 /nfs/dbraw/zinc/13/48/72/555134872.db2.gz ZVDLMIMHKPDZTD-HJOGWXRNSA-N -1 3 568.380 4.816 40 5 KJBBHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OC)c(Br)c2)cc1 ZINC000102895636 555134980 /nfs/dbraw/zinc/13/49/80/555134980.db2.gz ZVDLMIMHKPDZTD-SMIHKQSGSA-N -1 3 568.380 4.816 40 5 KJBBHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OC)c(Br)c2)cc1 ZINC000102895637 555134965 /nfs/dbraw/zinc/13/49/65/555134965.db2.gz ZVDLMIMHKPDZTD-VXNXHJTFSA-N -1 3 568.380 4.816 40 5 KJBBHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OS(=O)(=O)c3ccccc3)cc2)c1 ZINC000102899258 555138745 /nfs/dbraw/zinc/13/87/45/555138745.db2.gz FIXGWXNWRWCBJM-PKTNWEFCSA-N -1 3 585.594 4.722 40 5 KJBBHM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OS(=O)(=O)c3ccccc3)cc2)c1 ZINC000102899259 555138737 /nfs/dbraw/zinc/13/87/37/555138737.db2.gz FIXGWXNWRWCBJM-KCHLEUMXSA-N -1 3 585.594 4.722 40 5 KJBBHM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OS(=O)(=O)c3ccccc3)cc2)c1 ZINC000102899261 555138876 /nfs/dbraw/zinc/13/88/76/555138876.db2.gz FIXGWXNWRWCBJM-IARZGTGTSA-N -1 3 585.594 4.722 40 5 KJBBHM Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2CCCN21 ZINC000103518762 555424337 /nfs/dbraw/zinc/42/43/37/555424337.db2.gz HDQFFEWVVXIMCS-WVVZPGRZSA-N -1 3 542.979 4.571 40 5 KJBBHM Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2CCCN21 ZINC000103518765 555424299 /nfs/dbraw/zinc/42/42/99/555424299.db2.gz HDQFFEWVVXIMCS-AWTHXPCVSA-N -1 3 542.979 4.571 40 5 KJBBHM Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2CCCN21 ZINC000103518767 555424189 /nfs/dbraw/zinc/42/41/89/555424189.db2.gz HDQFFEWVVXIMCS-NUVJPRFLSA-N -1 3 542.979 4.571 40 5 KJBBHM Cc1cc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc(-c2nc3ccccc3s2)c1[O-] ZINC000104487139 571381094 /nfs/dbraw/zinc/38/10/94/571381094.db2.gz YBMVIQXEWIRWRD-UHFFFAOYSA-N -1 3 549.634 4.849 40 5 KJBBHM COc1c(Br)cc(Br)cc1C(=O)NC(=S)[N-]c1ccc(Cl)cc1[N+](=O)[O-] ZINC000105305479 571393689 /nfs/dbraw/zinc/39/36/89/571393689.db2.gz OWGMJXGBJBVVSP-UHFFFAOYSA-N -1 3 523.590 4.909 40 5 KJBBHM COc1c(Br)cc(Br)cc1C(=O)NC(=S)[N-]c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000105305483 571393663 /nfs/dbraw/zinc/39/36/63/571393663.db2.gz UEPLGEYLFKWWEB-UHFFFAOYSA-N -1 3 517.199 4.872 40 5 KJBBHM O=C(NC(=S)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000105306387 571394075 /nfs/dbraw/zinc/39/40/75/571394075.db2.gz STNFSQDCODUUDU-UHFFFAOYSA-N -1 3 535.607 4.541 40 5 KJBBHM Cc1cc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc(-c2nc3ccccc3s2)c1[O-] ZINC000105310744 571396356 /nfs/dbraw/zinc/39/63/56/571396356.db2.gz JIYJOKGBTQPSGJ-UHFFFAOYSA-N -1 3 549.634 4.849 40 5 KJBBHM Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3[O-])oc2c(C)c1 ZINC000105310969 571396487 /nfs/dbraw/zinc/39/64/87/571396487.db2.gz NOICXYIAUVDVRS-UHFFFAOYSA-N -1 3 547.593 4.689 40 5 KJBBHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3[O-])nc2c1 ZINC000105311061 571396510 /nfs/dbraw/zinc/39/65/10/571396510.db2.gz NTOVZQKKDUWENE-UHFFFAOYSA-N -1 3 547.593 4.634 40 5 KJBBHM O=C(NC(=S)Nc1ccc([O-])c(-c2nc3cc(Cl)ccc3o2)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000105311101 571396514 /nfs/dbraw/zinc/39/65/14/571396514.db2.gz YMRWGPSGFFVEJR-UHFFFAOYSA-N -1 3 553.984 4.725 40 5 KJBBHM CCOc1cc([C@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1[O-] ZINC000105796598 571408870 /nfs/dbraw/zinc/40/88/70/571408870.db2.gz YTGUMACEWQRQPH-AOHZBQACSA-N -1 3 568.380 4.508 40 5 KJBBHM COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC ZINC000105990209 571410052 /nfs/dbraw/zinc/41/00/52/571410052.db2.gz TXOPZUAEOPGLDM-CERRFVOPSA-N -1 3 555.543 4.825 40 5 KJBBHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3[O-])nc2c1 ZINC000112228737 571433818 /nfs/dbraw/zinc/43/38/18/571433818.db2.gz PNMKDYQAJFCZOZ-UHFFFAOYSA-N -1 3 547.593 4.634 40 5 KJBBHM Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3[O-])oc2c(C)c1 ZINC000112229430 571433894 /nfs/dbraw/zinc/43/38/94/571433894.db2.gz GWNAJZOFNGASHL-UHFFFAOYSA-N -1 3 547.593 4.689 40 5 KJBBHM O=C(NC(=S)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000112231318 571434260 /nfs/dbraw/zinc/43/42/60/571434260.db2.gz UKIOPDQXWXLTQU-UHFFFAOYSA-N -1 3 535.607 4.541 40 5 KJBBHM O=C(NC(=S)Nc1ccc([O-])c(-c2nc3cc(Cl)ccc3o2)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000112240385 571435078 /nfs/dbraw/zinc/43/50/78/571435078.db2.gz MAKFIRFAUUOEQK-UHFFFAOYSA-N -1 3 553.984 4.725 40 5 KJBBHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc(C)c3[O-])nc2c1 ZINC000112243649 571435443 /nfs/dbraw/zinc/43/54/43/571435443.db2.gz KBOGCLHVGGHJGH-UHFFFAOYSA-N -1 3 561.620 4.943 40 5 KJBBHM O=C([N-]c1nnc(CCOCCc2nnc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)s2)s1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000150496102 571517915 /nfs/dbraw/zinc/51/79/15/571517915.db2.gz DUONGWPSIALNHA-UHFFFAOYSA-N -1 3 639.459 4.819 40 5 KJBBHM O=C([N-]c1nnc(CCOCCOCCc2nnc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)s2)s1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000163620838 571537981 /nfs/dbraw/zinc/53/79/81/571537981.db2.gz XGVUCQHYVINADW-UHFFFAOYSA-N -1 3 683.512 4.836 40 5 KJBBHM COC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1C)[C@H]3c1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000169690229 571558428 /nfs/dbraw/zinc/55/84/28/571558428.db2.gz NOPYBGDZQFYFSS-HJOGWXRNSA-N -1 3 547.589 4.681 40 5 KJBBHM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000197827333 571565205 /nfs/dbraw/zinc/56/52/05/571565205.db2.gz BOGPZDFPVRXGNS-UHFFFAOYSA-N -1 3 654.723 4.864 40 5 KJBBHM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000197829281 571565400 /nfs/dbraw/zinc/56/54/00/571565400.db2.gz SFNAVPGAXSODDX-UHFFFAOYSA-N -1 3 628.660 4.686 40 5 KJBBHM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000197829799 571565416 /nfs/dbraw/zinc/56/54/16/571565416.db2.gz WRSNNUVPZXPFQU-UHFFFAOYSA-N -1 3 654.723 4.864 40 5 KJBBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1[N-]S(C)(=O)=O ZINC000225437621 571806604 /nfs/dbraw/zinc/80/66/04/571806604.db2.gz ZIWBJHWJGHCDFZ-DQEYMECFSA-N -1 3 565.633 4.807 40 5 KJBBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1[N-]S(C)(=O)=O ZINC000225437662 571806665 /nfs/dbraw/zinc/80/66/65/571806665.db2.gz ZIWBJHWJGHCDFZ-RPBOFIJWSA-N -1 3 565.633 4.807 40 5 KJBBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1[N-]S(C)(=O)=O ZINC000225437698 571806525 /nfs/dbraw/zinc/80/65/25/571806525.db2.gz ZIWBJHWJGHCDFZ-LOSJGSFVSA-N -1 3 565.633 4.807 40 5 KJBBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1[N-]S(C)(=O)=O ZINC000225437735 571806588 /nfs/dbraw/zinc/80/65/88/571806588.db2.gz ZIWBJHWJGHCDFZ-JWQCQUIFSA-N -1 3 565.633 4.807 40 5 KJBBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)ccc1[N-]S(C)(=O)=O ZINC000225440534 571810297 /nfs/dbraw/zinc/81/02/97/571810297.db2.gz JRHSOHSALJILSJ-UIOOFZCWSA-N -1 3 595.659 4.816 40 5 KJBBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)ccc1[N-]S(C)(=O)=O ZINC000225440584 571810963 /nfs/dbraw/zinc/81/09/63/571810963.db2.gz JRHSOHSALJILSJ-FTJBHMTQSA-N -1 3 595.659 4.816 40 5 KJBBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)ccc1[N-]S(C)(=O)=O ZINC000225440612 571810995 /nfs/dbraw/zinc/81/09/95/571810995.db2.gz JRHSOHSALJILSJ-IZZNHLLZSA-N -1 3 595.659 4.816 40 5 KJBBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)ccc1[N-]S(C)(=O)=O ZINC000225440656 571810932 /nfs/dbraw/zinc/81/09/32/571810932.db2.gz JRHSOHSALJILSJ-CLJLJLNGSA-N -1 3 595.659 4.816 40 5 KJBBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1[N-]S(C)(=O)=O ZINC000225443259 571814540 /nfs/dbraw/zinc/81/45/40/571814540.db2.gz VOBKWSGTIHIXQF-DQEYMECFSA-N -1 3 565.633 4.807 40 5 KJBBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1[N-]S(C)(=O)=O ZINC000225443298 571814651 /nfs/dbraw/zinc/81/46/51/571814651.db2.gz VOBKWSGTIHIXQF-RPBOFIJWSA-N -1 3 565.633 4.807 40 5 KJBBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1[N-]S(C)(=O)=O ZINC000225443338 571814381 /nfs/dbraw/zinc/81/43/81/571814381.db2.gz VOBKWSGTIHIXQF-LOSJGSFVSA-N -1 3 565.633 4.807 40 5 KJBBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1[N-]S(C)(=O)=O ZINC000225443381 571814441 /nfs/dbraw/zinc/81/44/41/571814441.db2.gz VOBKWSGTIHIXQF-JWQCQUIFSA-N -1 3 565.633 4.807 40 5 KJBBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1[N-]S(C)(=O)=O ZINC000225443452 571814317 /nfs/dbraw/zinc/81/43/17/571814317.db2.gz ACARZRYPWIWVFT-DQEYMECFSA-N -1 3 565.633 4.807 40 5 KJBBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1[N-]S(C)(=O)=O ZINC000225443483 571814649 /nfs/dbraw/zinc/81/46/49/571814649.db2.gz ACARZRYPWIWVFT-RPBOFIJWSA-N -1 3 565.633 4.807 40 5 KJBBHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1[N-]S(C)(=O)=O ZINC000225443527 571814635 /nfs/dbraw/zinc/81/46/35/571814635.db2.gz ACARZRYPWIWVFT-LOSJGSFVSA-N -1 3 565.633 4.807 40 5 KJBBHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1[N-]S(C)(=O)=O ZINC000225443571 571814512 /nfs/dbraw/zinc/81/45/12/571814512.db2.gz ACARZRYPWIWVFT-JWQCQUIFSA-N -1 3 565.633 4.807 40 5 KJBBHM Cc1ccc(-n2c(SCC(=O)Nc3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)nnc2-c2cc(Br)ccc2[O-])c(C)c1 ZINC000408542656 572210703 /nfs/dbraw/zinc/21/07/03/572210703.db2.gz KMWAUTLXACDBGU-UHFFFAOYSA-N -1 3 638.504 4.849 40 5 KJBBHM O=C(CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000408544301 572215293 /nfs/dbraw/zinc/21/52/93/572215293.db2.gz FUVAPWDCJGMTKG-UHFFFAOYSA-N -1 3 519.164 4.886 40 5 KJBBHM O=C(CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000408544301 572215290 /nfs/dbraw/zinc/21/52/90/572215290.db2.gz FUVAPWDCJGMTKG-UHFFFAOYSA-N -1 3 519.164 4.886 40 5 KJBBHM Cn1c(SCC(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)nnc1-c1cc(Br)ccc1[O-] ZINC000408544963 572217314 /nfs/dbraw/zinc/21/73/14/572217314.db2.gz WHZZAAMECCLHEA-UHFFFAOYSA-N -1 3 533.191 4.896 40 5 KJBBHM Cc1c(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cccc1[N+](=O)[O-] ZINC000408551768 572236841 /nfs/dbraw/zinc/23/68/41/572236841.db2.gz ITZHIUCANWGFQR-UHFFFAOYSA-N -1 3 509.462 4.740 40 5 KJBBHM Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000408552311 572238111 /nfs/dbraw/zinc/23/81/11/572238111.db2.gz LRUYOYRALABPDT-UHFFFAOYSA-N -1 3 509.462 4.740 40 5 KJBBHM Cc1c(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cccc1[N+](=O)[O-] ZINC000408591005 572268021 /nfs/dbraw/zinc/26/80/21/572268021.db2.gz HSICUDTYLMRSHR-IBGZPJMESA-N -1 3 508.383 4.738 40 5 KJBBHM Cc1c(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cccc1[N+](=O)[O-] ZINC000408591007 572268002 /nfs/dbraw/zinc/26/80/02/572268002.db2.gz HSICUDTYLMRSHR-LJQANCHMSA-N -1 3 508.383 4.738 40 5 KJBBHM Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408598254 572272061 /nfs/dbraw/zinc/27/20/61/572272061.db2.gz YLWJAUGXECQJPV-FQEVSTJZSA-N -1 3 508.383 4.738 40 5 KJBBHM Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408598255 572272027 /nfs/dbraw/zinc/27/20/27/572272027.db2.gz YLWJAUGXECQJPV-HXUWFJFHSA-N -1 3 508.383 4.738 40 5 KJBBHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3C)c(Cl)c2)cc1 ZINC000408625507 572283538 /nfs/dbraw/zinc/28/35/38/572283538.db2.gz SUCOGLWKYLRLHW-UHFFFAOYSA-N -1 3 519.963 4.774 40 5 KJBBHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc([N+](=O)[O-])ccc3C)c(Cl)c2)cc1 ZINC000408627266 572284224 /nfs/dbraw/zinc/28/42/24/572284224.db2.gz YXJIIDFTPFBMPG-UHFFFAOYSA-N -1 3 519.963 4.774 40 5 KJBBHM O=C([N-]N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000408640361 572296458 /nfs/dbraw/zinc/29/64/58/572296458.db2.gz AUSGQUJXNWYWAA-UHFFFAOYSA-N -1 3 626.837 4.586 40 5 KJBBHM Cc1ccc(S(=O)(=O)C(CC(=O)c2ccc([N+](=O)[O-])cc2)=C([O-])c2ccc(Br)cc2)cc1 ZINC000408680795 572321414 /nfs/dbraw/zinc/32/14/14/572321414.db2.gz GSIPOOWBQNVYSX-JOCHJYFZSA-N -1 3 516.369 4.964 40 5 KJBBHM Cc1ccc(S(=O)(=O)C(CC(=O)c2ccc([N+](=O)[O-])cc2)=C([O-])c2ccc(Br)cc2)cc1 ZINC000408680796 572321324 /nfs/dbraw/zinc/32/13/24/572321324.db2.gz GSIPOOWBQNVYSX-QFIPXVFZSA-N -1 3 516.369 4.964 40 5 KJBBHM Cc1ccc(S(=O)(=O)C(CC(=O)c2cccc([N+](=O)[O-])c2)=C([O-])c2ccc(Br)cc2)cc1 ZINC000408682093 1066526402 /nfs/dbraw/zinc/52/64/02/1066526402.db2.gz IQXHQVGEFKTDHS-JOCHJYFZSA-N -1 3 516.369 4.964 40 5 KJBBHM Cc1ccc(S(=O)(=O)C(CC(=O)c2cccc([N+](=O)[O-])c2)=C([O-])c2ccc(Br)cc2)cc1 ZINC000408682094 1066526474 /nfs/dbraw/zinc/52/64/74/1066526474.db2.gz IQXHQVGEFKTDHS-QFIPXVFZSA-N -1 3 516.369 4.964 40 5 KJBBHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c([O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408733740 1066562813 /nfs/dbraw/zinc/56/28/13/1066562813.db2.gz PMUHKEKZSUTCKS-UTWPHBJQSA-N -1 3 654.495 4.752 40 5 KJBBHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c([O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408733741 1066562700 /nfs/dbraw/zinc/56/27/00/1066562700.db2.gz PMUHKEKZSUTCKS-VPVLBGOXSA-N -1 3 654.495 4.752 40 5 KJBBHM COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc(Br)c1[O-] ZINC000408841822 1066248265 /nfs/dbraw/zinc/24/82/65/1066248265.db2.gz HUNDNWNLSGZTEL-ITIZVALFSA-N -1 3 590.455 4.704 40 5 KJBBHM COc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc(Br)c1[O-] ZINC000408841824 1066248138 /nfs/dbraw/zinc/24/81/38/1066248138.db2.gz HUNDNWNLSGZTEL-YXDQGSNCSA-N -1 3 590.455 4.704 40 5 KJBBHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1 ZINC000408921495 1066703372 /nfs/dbraw/zinc/70/33/72/1066703372.db2.gz AFLJMSRHQNAKGC-UHFFFAOYSA-N -1 3 594.671 4.846 40 5 KJBBHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3ccccc3)cc2)c(C)c1 ZINC000408922293 1066702352 /nfs/dbraw/zinc/70/23/52/1066702352.db2.gz ZCUVSJLNBZIXIS-UHFFFAOYSA-N -1 3 594.671 4.846 40 5 KJBBHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(OC)cc3)S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1 ZINC000408922376 1066702919 /nfs/dbraw/zinc/70/29/19/1066702919.db2.gz ZXXCTXOWGSMKRV-UHFFFAOYSA-N -1 3 640.696 4.555 40 5 KJBBHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 ZINC000408925274 1066270940 /nfs/dbraw/zinc/27/09/40/1066270940.db2.gz LVBHEDNZHGKJFJ-UHFFFAOYSA-N -1 3 594.671 4.846 40 5 KJBBHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000408926000 1066699974 /nfs/dbraw/zinc/69/99/74/1066699974.db2.gz WJHMCDZBBCVYEF-UHFFFAOYSA-N -1 3 594.671 4.846 40 5 KJBBHM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000408926037 1066700141 /nfs/dbraw/zinc/70/01/41/1066700141.db2.gz NBEHHIZFXDXCJR-UHFFFAOYSA-N -1 3 654.723 4.864 40 5 KJBBHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3[N+](=O)[O-])S(=O)(=O)c3ccccc3)cc2)cc1C ZINC000408927156 1066698823 /nfs/dbraw/zinc/69/88/23/1066698823.db2.gz SVLLZULKJKZNLI-UHFFFAOYSA-N -1 3 594.671 4.846 40 5 KJBBHM COc1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[nH][nH]c2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409176458 1066937445 /nfs/dbraw/zinc/93/74/45/1066937445.db2.gz OAIRXRTXMQIAQD-UHFFFAOYSA-N -1 3 544.362 4.599 40 5 KJBBHM CCOc1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[nH][nH]c2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409181058 1066947599 /nfs/dbraw/zinc/94/75/99/1066947599.db2.gz ZTMOLSAPKQXYMJ-UHFFFAOYSA-N -1 3 558.389 4.989 40 5 KJBBHM Cc1[n-][nH]c(=O)c1C(c1c(C)[nH][nH]c1=O)c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000409362369 1067080382 /nfs/dbraw/zinc/08/03/82/1067080382.db2.gz JEAFXAYARKJGDQ-UHFFFAOYSA-N -1 3 514.336 4.591 40 5 KJBBHM CCOc1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[nH][nH]c2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409365831 1067076677 /nfs/dbraw/zinc/07/66/77/1067076677.db2.gz SGJBRMUKIOYWFZ-UHFFFAOYSA-N -1 3 605.389 4.832 40 5 KJBBHM CCn1c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nnc1-c1cc(Br)ccc1[O-] ZINC000409411775 1067131188 /nfs/dbraw/zinc/13/11/88/1067131188.db2.gz LECUDIJICFGVIJ-UHFFFAOYSA-N -1 3 512.773 4.726 40 5 KJBBHM CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1cc(Br)ccc1[O-] ZINC000409412121 1067130244 /nfs/dbraw/zinc/13/02/44/1067130244.db2.gz RTDMXFDJANJQKB-UHFFFAOYSA-N -1 3 512.773 4.726 40 5 KJBBHM