smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1CCN(c2ccc(-c3cccc([N-]S(=O)(=O)c4cccc(Cl)c4)c3)nn2)CC1 ZINC000020554833 521036330 /nfs/dbraw/zinc/03/63/30/521036330.db2.gz RQMOADGQMDUJKP-UHFFFAOYSA-N -1 1 442.972 4.834 50 0 IJAAMM Cc1cccc(CSc2nc(CC(=O)NCc3ccc(C(F)(F)F)cc3)cc(=O)[n-]2)c1 ZINC000033313184 524463179 /nfs/dbraw/zinc/46/31/79/524463179.db2.gz DUSJMKHOCYXKFO-UHFFFAOYSA-N -1 1 447.482 4.661 50 0 IJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3noc(COc4cccc(C)c4)n3)cc2)cc1 ZINC000021702572 525596942 /nfs/dbraw/zinc/59/69/42/525596942.db2.gz UNUPMGBQMBNFHW-UHFFFAOYSA-N -1 1 435.505 4.733 50 0 IJAAMM Cc1cc2c(cc1S(=O)(=O)[N-]c1cccc(Br)c1)[nH]c1c2C(=O)CCC1 ZINC000020990318 525615761 /nfs/dbraw/zinc/61/57/61/525615761.db2.gz VJYKGXSRWAHAQX-UHFFFAOYSA-N -1 1 433.327 4.559 50 0 IJAAMM CCOc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2N2CCCCC2)cc1 ZINC000013057029 535400605 /nfs/dbraw/zinc/40/06/05/535400605.db2.gz MVOYWVBZTNUQBO-UHFFFAOYSA-N -1 1 428.476 4.895 50 0 IJAAMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)c1 ZINC000001143629 555651480 /nfs/dbraw/zinc/65/14/80/555651480.db2.gz BMNXUGFHHOAGES-UHFFFAOYSA-N -1 1 445.338 4.811 50 0 IJAAMM COc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)ccc4o3)c([O-])c2)c1 ZINC000001171117 555666740 /nfs/dbraw/zinc/66/67/40/555666740.db2.gz UCJRKHAVEIMXCC-UHFFFAOYSA-N -1 1 433.489 4.644 50 0 IJAAMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccccc1Br ZINC000001236597 555687173 /nfs/dbraw/zinc/68/71/73/555687173.db2.gz PHGUUINIZJQPIP-UHFFFAOYSA-N -1 1 431.311 4.502 50 0 IJAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccco4)c3[C@@H]2c2ccc(F)cc2)cc1 ZINC000008595783 556190437 /nfs/dbraw/zinc/19/04/37/556190437.db2.gz VGHIMCGNYSTFGE-QFIPXVFZSA-N -1 1 431.423 4.735 50 0 IJAAMM O=C(NCc1ccccc1Cl)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000013133870 556481801 /nfs/dbraw/zinc/48/18/01/556481801.db2.gz VGWVNCFDQMTJFM-UHFFFAOYSA-N -1 1 435.332 4.724 50 0 IJAAMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3c(F)cccc3F)ccc2C)c1C ZINC000016425907 556606553 /nfs/dbraw/zinc/60/65/53/556606553.db2.gz AMBOZXQWGFXVKQ-UHFFFAOYSA-N -1 1 430.476 4.943 50 0 IJAAMM CCN(Cc1cccc(F)c1)C(=O)c1oc2ccccc2c1CSc1nccc(=O)[n-]1 ZINC000058061936 556756090 /nfs/dbraw/zinc/75/60/90/556756090.db2.gz XLXSDCOTLHQNBS-UHFFFAOYSA-N -1 1 437.496 4.610 50 0 IJAAMM COc1ccc(-c2cc(=O)[n-]c(SCc3nc(-c4ccccc4OC)oc3C)n2)cc1 ZINC000023126200 557007861 /nfs/dbraw/zinc/00/78/61/557007861.db2.gz RRGSVNZFGWDAKS-UHFFFAOYSA-N -1 1 435.505 4.710 50 0 IJAAMM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1ccc2c(c1)sc(=O)n2C(C)C ZINC000046017602 557020804 /nfs/dbraw/zinc/02/08/04/557020804.db2.gz HPKOWYYHVSRULE-UHFFFAOYSA-N -1 1 441.372 4.516 50 0 IJAAMM O=C(c1ccccc1)N1CCCc2cc([N-]S(=O)(=O)c3cccc(Cl)c3)ccc21 ZINC000017178279 557037852 /nfs/dbraw/zinc/03/78/52/557037852.db2.gz NVQSODQYVISYSB-UHFFFAOYSA-N -1 1 426.925 4.734 50 0 IJAAMM O=S(=O)([N-]c1ccccc1-c1cn2c(n1)CCCC2)c1ccc(OC(F)(F)F)cc1 ZINC000585150596 557110595 /nfs/dbraw/zinc/11/05/95/557110595.db2.gz WFDOMBCIOSUUFI-UHFFFAOYSA-N -1 1 437.443 4.586 50 0 IJAAMM COc1ccc(C(=O)Nc2cc(C(C)C)c([O-])c(S(=O)(=O)c3ccccc3)c2C)cc1 ZINC000000719270 557149211 /nfs/dbraw/zinc/14/92/11/557149211.db2.gz QZNSOPRNUCRXRZ-UHFFFAOYSA-N -1 1 439.533 4.918 50 0 IJAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)c1 ZINC000024864392 557172133 /nfs/dbraw/zinc/17/21/33/557172133.db2.gz NIAUKWHDPUHPJG-UHFFFAOYSA-N -1 1 430.961 4.743 50 0 IJAAMM Cc1ccc(-n2nc3c4cc(C(=O)NCc5ccc(F)cc5)ccc4[n-]cc-3c2=O)cc1C ZINC000101828068 557299743 /nfs/dbraw/zinc/29/97/43/557299743.db2.gz UCFMYUMLKBBDOJ-UHFFFAOYSA-N -1 1 440.478 4.505 50 0 IJAAMM COCc1cccc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)c1 ZINC000014795456 557456079 /nfs/dbraw/zinc/45/60/79/557456079.db2.gz DQJUNYBARCEOEG-UHFFFAOYSA-N -1 1 444.940 4.848 50 0 IJAAMM COc1ccc(-c2nc(CSc3nc(-c4cccnc4)cc(=O)[n-]3)c(C)o2)cc1OC ZINC000045924927 557549976 /nfs/dbraw/zinc/54/99/76/557549976.db2.gz ZKOXSRYRWKOJIS-UHFFFAOYSA-N -1 1 436.493 4.517 50 0 IJAAMM O=S(=O)([N-]c1ccc(Oc2ncccn2)cc1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000040152636 557704497 /nfs/dbraw/zinc/70/44/97/557704497.db2.gz HLCGQRLCEYFJBA-UHFFFAOYSA-N -1 1 429.807 4.742 50 0 IJAAMM O=C1[N-]C(=S)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(F)F)cc1 ZINC000003239375 557842022 /nfs/dbraw/zinc/84/20/22/557842022.db2.gz WUMIJHYBUKWQRJ-YBEGLDIGSA-N -1 1 429.473 4.630 50 0 IJAAMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2cc(-c3cnc(C4CC4)o3)ccc2C)c1 ZINC000008615081 562959756 /nfs/dbraw/zinc/95/97/56/562959756.db2.gz KHPQEMLKUOBVTC-UHFFFAOYSA-N -1 1 426.494 4.505 50 0 IJAAMM Cc1ccc(S(=O)(=O)[N-]c2cc3c(oc4c3C(=O)CCC4)c(Br)c2)cc1 ZINC000000944078 568641841 /nfs/dbraw/zinc/64/18/41/568641841.db2.gz QDUXODHZZXOSDW-UHFFFAOYSA-N -1 1 434.311 4.824 50 0 IJAAMM COc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000001020888 568652976 /nfs/dbraw/zinc/65/29/76/568652976.db2.gz ZTGITZCTHZKTHH-UHFFFAOYSA-N -1 1 432.501 4.902 50 0 IJAAMM Cc1ccc2nc(NC(=O)c3cccc(S(=O)(=O)[N-]c4ccc(F)cc4)c3)sc2c1 ZINC000003259774 568744271 /nfs/dbraw/zinc/74/42/71/568744271.db2.gz AOIMRQNOZKQFHS-UHFFFAOYSA-N -1 1 441.509 4.797 50 0 IJAAMM COc1ccc(C=CC(=O)Oc2ccc(C=C3SC(=S)[N-]C3=O)cc2OC)cc1 ZINC000001245729 568774781 /nfs/dbraw/zinc/77/47/81/568774781.db2.gz QMCRTGANCFLATF-PDDUZAPNSA-N -1 1 427.503 4.652 50 0 IJAAMM COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3C2CCCCCC2)cc(OC)c1OC ZINC000085411906 568818024 /nfs/dbraw/zinc/81/80/24/568818024.db2.gz NGNIIZWBRXIISN-FQEVSTJZSA-N -1 1 431.558 4.984 50 0 IJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCC(C)CC4)nn3)cc2)c(C)c1 ZINC000015882192 568856706 /nfs/dbraw/zinc/85/67/06/568856706.db2.gz KZVGWGHCEYWNPZ-UHFFFAOYSA-N -1 1 436.581 4.798 50 0 IJAAMM CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1 ZINC000065116275 569107295 /nfs/dbraw/zinc/10/72/95/569107295.db2.gz MBKNIZCDOIQCOQ-UHFFFAOYSA-N -1 1 427.526 4.588 50 0 IJAAMM CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000065116256 569107312 /nfs/dbraw/zinc/10/73/12/569107312.db2.gz CFWNVMJWXJHNBK-UHFFFAOYSA-N -1 1 433.917 4.625 50 0 IJAAMM CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)[N-]c2c(C)cccc2C)c1 ZINC000065116276 569107314 /nfs/dbraw/zinc/10/73/14/569107314.db2.gz QYJNRXDALSIZRK-UHFFFAOYSA-N -1 1 427.526 4.588 50 0 IJAAMM CCOc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2cc(C(C)(C)C)ccc2O)cc1 ZINC000014185964 569158035 /nfs/dbraw/zinc/15/80/35/569158035.db2.gz HKMVBGJVADRQHC-UHFFFAOYSA-N -1 1 426.542 4.648 50 0 IJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2cccs2)CCC3)cc1C ZINC000017053182 569171969 /nfs/dbraw/zinc/17/19/69/569171969.db2.gz OKKFGBXHECWJDN-UHFFFAOYSA-N -1 1 426.563 4.759 50 0 IJAAMM COc1cccc(S(=O)(=O)[N-]c2ccc(-c3csc(Nc4cccnc4)n3)cc2)c1 ZINC000208006475 569184632 /nfs/dbraw/zinc/18/46/32/569184632.db2.gz LYOZPYSCUWPMEA-UHFFFAOYSA-N -1 1 438.534 4.758 50 0 IJAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3csc(Nc4cccnc4)n3)cc2)cc1 ZINC000208006061 569184677 /nfs/dbraw/zinc/18/46/77/569184677.db2.gz ZQIMJAKUUVARRI-UHFFFAOYSA-N -1 1 438.534 4.758 50 0 IJAAMM O=c1cc2c(c3occ(-c4ccc(Cl)cc4)c([O-])c1-3)[C@@H](c1cccc(O)c1)CC(=O)O2 ZINC000253396170 569264714 /nfs/dbraw/zinc/26/47/14/569264714.db2.gz AVKNTZRIJBHQFS-MRXNPFEDSA-N -1 1 434.831 4.966 50 0 biogenic IJAAMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)CCC(=O)c3cccs3)ccc2C)c1 ZINC000013070631 569309045 /nfs/dbraw/zinc/30/90/45/569309045.db2.gz GODTVDNDTXVJEU-UHFFFAOYSA-N -1 1 442.562 4.767 50 0 IJAAMM O=c1cc2c(c3occ(-c4ccc(O)cc4)c([O-])c1-3)[C@@H](c1ccccc1Cl)CC(=O)O2 ZINC000096115486 569383314 /nfs/dbraw/zinc/38/33/14/569383314.db2.gz FZWHKSOURXMKAL-OAHLLOKOSA-N -1 1 434.831 4.966 50 0 biogenic IJAAMM O=c1cc2c(c3occ(-c4ccc(O)cc4)c([O-])c1-3)[C@@H](c1ccc(Cl)cc1)CC(=O)O2 ZINC000096115900 569383438 /nfs/dbraw/zinc/38/34/38/569383438.db2.gz YYAVTOIZLUBRPZ-MRXNPFEDSA-N -1 1 434.831 4.966 50 0 biogenic IJAAMM O=c1[n-]n(C2CCSCC2)c2c1[C@H](c1ccc(Cl)cc1Cl)SCC(=O)N2 ZINC000096116768 569383941 /nfs/dbraw/zinc/38/39/41/569383941.db2.gz ZRSDVGJTSQXKMW-HNNXBMFYSA-N -1 1 430.382 4.738 50 0 IJAAMM O=S(=O)([N-]c1ccc2nc(SCc3cccnc3)sc2c1)c1cccc(F)c1 ZINC000096399452 569399963 /nfs/dbraw/zinc/39/99/63/569399963.db2.gz IEUHFTQLPMIBIH-UHFFFAOYSA-N -1 1 431.539 4.924 50 0 IJAAMM O=C(c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)N1CCCCCC1 ZINC000003188721 569441464 /nfs/dbraw/zinc/44/14/64/569441464.db2.gz FKZLYVQFINQJPH-UHFFFAOYSA-N -1 1 426.460 4.522 50 0 IJAAMM CCOC(=O)c1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2ccc(C)cn2)cc1 ZINC000067294305 569467888 /nfs/dbraw/zinc/46/78/88/569467888.db2.gz FJVOHNMRLUCVCE-PNHLSOANSA-N -1 1 443.459 4.503 50 0 IJAAMM O=C1Nc2ccc(S(=O)(=O)[N-]c3ccc(OCc4ccccc4)cc3)c3cccc1c23 ZINC000008835895 569477986 /nfs/dbraw/zinc/47/79/86/569477986.db2.gz IEFPWCTXCYELRT-UHFFFAOYSA-N -1 1 430.485 4.785 50 0 IJAAMM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4ccccc4s3)cc2)cc1 ZINC000009116303 569502933 /nfs/dbraw/zinc/50/29/33/569502933.db2.gz WNADYMXREBRLGL-UHFFFAOYSA-N -1 1 449.557 4.891 50 0 IJAAMM Cc1cccc(COc2ccc([C@@H]3CC(=O)Nc4nc(-c5ccccc5)[n-]c(=O)c43)cc2)c1 ZINC000009409463 569531060 /nfs/dbraw/zinc/53/10/60/569531060.db2.gz VFWFFQGMAOFAGU-QFIPXVFZSA-N -1 1 437.499 4.798 50 0 IJAAMM COc1cc(C=C(Sc2nnc(C)[nH]2)C(=O)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000009458479 569536799 /nfs/dbraw/zinc/53/67/99/569536799.db2.gz UQRLKFFOXGSCRL-ZDLGFXPLSA-N -1 1 431.901 4.572 50 0 IJAAMM COc1cc(C=C(Sc2n[nH]c(C)n2)C(=O)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000009458479 569536800 /nfs/dbraw/zinc/53/68/00/569536800.db2.gz UQRLKFFOXGSCRL-ZDLGFXPLSA-N -1 1 431.901 4.572 50 0 IJAAMM Cc1[nH]nc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3Br)s2)c1C ZINC000009686740 569560758 /nfs/dbraw/zinc/56/07/58/569560758.db2.gz PYSIFBQANWUVGR-UHFFFAOYSA-N -1 1 426.361 4.627 50 0 IJAAMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000010289287 569580542 /nfs/dbraw/zinc/58/05/42/569580542.db2.gz BTEVGFVCVHZYSJ-CQSZACIVSA-N -1 1 446.878 4.555 50 0 IJAAMM CC(C)C(=O)Nc1nc2cc([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)ccc2s1 ZINC000015870284 519530314 /nfs/dbraw/zinc/53/03/14/519530314.db2.gz ZWUZMZKGHSSXLB-UHFFFAOYSA-N -1 1 443.472 4.710 50 0 IJAAMM CCCOc1cc(Nc2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc2)nc(C)n1 ZINC000012226413 520314904 /nfs/dbraw/zinc/31/49/04/520314904.db2.gz GFZWRQPKFKDELH-UHFFFAOYSA-N -1 1 432.933 4.772 50 0 IJAAMM CCOc1ccc(-c2cccc([N-]S(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)c2)nn1 ZINC000020604350 520811483 /nfs/dbraw/zinc/81/14/83/520811483.db2.gz WAXKBMOLBJSOMV-UHFFFAOYSA-N -1 1 441.406 4.501 50 0 IJAAMM CC1CCN(c2ccc(-c3cccc([N-]S(=O)(=O)c4ccc(Cl)cc4)c3)nn2)CC1 ZINC000020554824 521035856 /nfs/dbraw/zinc/03/58/56/521035856.db2.gz WAYWZOORYRBDPX-UHFFFAOYSA-N -1 1 442.972 4.834 50 0 IJAAMM CCc1ccc(S(=O)(=O)[N-]c2ccc3nc(NC(=O)c4ccccc4)sc3c2)cc1 ZINC000033007663 524017385 /nfs/dbraw/zinc/01/73/85/524017385.db2.gz MJPKHYAUTVFEBG-UHFFFAOYSA-N -1 1 437.546 4.912 50 0 IJAAMM Cc1ccc(N2C(=O)CS[C@@H]2c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000035910968 524920167 /nfs/dbraw/zinc/92/01/67/524920167.db2.gz RYABNWYMQARNQM-HSZRJFAPSA-N -1 1 438.574 4.883 50 0 IJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)Nc1cccc2ncccc21 ZINC000012850035 525606785 /nfs/dbraw/zinc/60/67/85/525606785.db2.gz BIBJAKRPBDJURI-UHFFFAOYSA-N -1 1 435.480 4.735 50 0 IJAAMM C[C@H](C1CC1)N(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000012785512 526203254 /nfs/dbraw/zinc/20/32/54/526203254.db2.gz IBCKJEBNSDZDKF-GFCCVEGCSA-N -1 1 427.353 4.665 50 0 IJAAMM O=C1C[C@@H](c2ccc(F)cc2F)c2c(=O)[n-]c(SCc3ccccc3Cl)nc2N1 ZINC000021784935 527022857 /nfs/dbraw/zinc/02/28/57/527022857.db2.gz AKXJWNCHUIKBEI-ZDUSSCGKSA-N -1 1 433.867 4.880 50 0 IJAAMM O=C1C[C@H](c2cc(F)ccc2F)c2c(=O)[n-]c(SCc3ccc(Cl)cc3)nc2N1 ZINC000021784999 527031893 /nfs/dbraw/zinc/03/18/93/527031893.db2.gz DTRKEIOYQQSAHQ-CQSZACIVSA-N -1 1 433.867 4.880 50 0 IJAAMM O=S(=O)([N-]c1cccc(-c2ccc(N3CCCC3)nn2)c1)c1cccc(C(F)(F)F)c1 ZINC000020554868 527251282 /nfs/dbraw/zinc/25/12/82/527251282.db2.gz DIQVNVCPBITICL-UHFFFAOYSA-N -1 1 448.470 4.563 50 0 IJAAMM O=S(=O)([N-]c1cccc(-c2ccc(N3CCCCC3)nn2)c1)c1cccc(Cl)c1 ZINC000020554787 527252388 /nfs/dbraw/zinc/25/23/88/527252388.db2.gz IPBSRZMDGVJWQJ-UHFFFAOYSA-N -1 1 428.945 4.588 50 0 IJAAMM O=S(=O)([N-]c1cccc([C@@H]2OC[C@H](COc3ccc(Cl)cc3)O2)c1)c1ccccc1 ZINC000012376839 527253197 /nfs/dbraw/zinc/25/31/97/527253197.db2.gz UQDDVJZSYBZOPD-RBBKRZOGSA-N -1 1 445.924 4.634 50 0 IJAAMM O=S(=O)([N-]c1cccc([C@H]2OC[C@@H](COc3ccc(Cl)cc3)O2)c1)c1ccccc1 ZINC000012376842 527253497 /nfs/dbraw/zinc/25/34/97/527253497.db2.gz UQDDVJZSYBZOPD-IRLDBZIGSA-N -1 1 445.924 4.634 50 0 IJAAMM COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)ccc4o3)c([O-])c2)cc1 ZINC000000882066 555577699 /nfs/dbraw/zinc/57/76/99/555577699.db2.gz OUWIJQRUPNSGRS-UHFFFAOYSA-N -1 1 433.489 4.644 50 0 IJAAMM O=C(COC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1ccc2ccccc2c1 ZINC000000992884 555597146 /nfs/dbraw/zinc/59/71/46/555597146.db2.gz BUYLUCASUYWBDW-UHFFFAOYSA-N -1 1 445.496 4.680 50 0 IJAAMM CSc1[n-]nc(NC(=O)c2ccccc2Cl)c1S(=O)(=O)c1ccc(Cl)cc1 ZINC000001037457 555608687 /nfs/dbraw/zinc/60/86/87/555608687.db2.gz NDXYFINSNFDXLJ-UHFFFAOYSA-N -1 1 442.349 4.524 50 0 IJAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(Br)cc3)c2)cc1 ZINC000001108467 555629876 /nfs/dbraw/zinc/62/98/76/555629876.db2.gz XPZGXXMKPXQXAD-UHFFFAOYSA-N -1 1 445.338 4.811 50 0 IJAAMM O=C(Cc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000001138003 555648041 /nfs/dbraw/zinc/64/80/41/555648041.db2.gz KLWRZDCZDOUYNW-UHFFFAOYSA-N -1 1 434.439 4.687 50 0 IJAAMM Cc1cc(CSc2ccccc2)ccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000001149579 555655548 /nfs/dbraw/zinc/65/55/48/555655548.db2.gz PYYRHQVBCNQNAD-UHFFFAOYSA-N -1 1 427.547 4.859 50 0 IJAAMM O=C([N-]c1ncn(Cc2cccc(F)c2)n1)c1cc(-c2ccc(Cl)cc2Cl)on1 ZINC000002799745 556142129 /nfs/dbraw/zinc/14/21/29/556142129.db2.gz HDLARTAWZAWTCQ-UHFFFAOYSA-N -1 1 432.242 4.680 50 0 IJAAMM O=C(NC1CCCC1)c1cc(NCc2ccccc2)cc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000014540135 556425241 /nfs/dbraw/zinc/42/52/41/556425241.db2.gz JYNMUHMIAABXLL-UHFFFAOYSA-N -1 1 449.576 4.772 50 0 IJAAMM Cc1nc(N2CCCC2)ncc1-c1cc(=O)[n-]c(Nc2ccc(Oc3ccccc3)cc2)n1 ZINC000036235574 556595100 /nfs/dbraw/zinc/59/51/00/556595100.db2.gz UXVVYQCVXWKLEY-UHFFFAOYSA-N -1 1 440.507 4.671 50 0 IJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3Br)cc2)cc1 ZINC000016310547 556599629 /nfs/dbraw/zinc/59/96/29/556599629.db2.gz ILUJZUTYYMUOQV-UHFFFAOYSA-N -1 1 445.338 4.811 50 0 IJAAMM Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000016347788 556601845 /nfs/dbraw/zinc/60/18/45/556601845.db2.gz YLENFKPZRSHDFE-UHFFFAOYSA-N -1 1 448.588 4.891 50 0 IJAAMM COc1ccc(-c2csc3c2[n-]c(N2CCN(c4cccc(C)c4)[C@@H](C)C2)nc3=O)cc1 ZINC000044169326 556666360 /nfs/dbraw/zinc/66/63/60/556666360.db2.gz ZTBYFVIYDOPWAD-KRWDZBQOSA-N -1 1 446.576 4.684 50 0 IJAAMM Cc1cc(C)c2nc(Nc3nc(CSc4nc5ccccc5[nH]4)cc(=O)[n-]3)nc(C)c2c1 ZINC000017123640 556668701 /nfs/dbraw/zinc/66/87/01/556668701.db2.gz ZOTUVVXACAJXFJ-UHFFFAOYSA-N -1 1 443.536 4.551 50 0 IJAAMM COc1cccc([C@@H]2[C@@H]3C(=O)N(c4c(C)cc(C)cc4C)C([O-])=C3ON2c2ccccc2)c1 ZINC000135940499 556687996 /nfs/dbraw/zinc/68/79/96/556687996.db2.gz GCMPOJXQRBLRKU-ICDZXHCJSA-N -1 1 442.515 4.672 50 0 IJAAMM O=c1nc(N2CCN(c3cccc(Cl)c3)CC2)[n-]c2c(-c3cccc(F)c3)csc21 ZINC000049421035 556705076 /nfs/dbraw/zinc/70/50/76/556705076.db2.gz BAUYAVPJPLXOJA-UHFFFAOYSA-N -1 1 440.931 4.771 50 0 IJAAMM O=C(c1ccccc1)N1CCCc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc21 ZINC000017178219 557037785 /nfs/dbraw/zinc/03/77/85/557037785.db2.gz FEPZFBCARDWEQH-UHFFFAOYSA-N -1 1 426.925 4.734 50 0 IJAAMM O=C(c1ccccc1)N1CCCc2cc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)ccc21 ZINC000017178269 557037871 /nfs/dbraw/zinc/03/78/71/557037871.db2.gz DTEKWNPQCQPPBX-UHFFFAOYSA-N -1 1 444.915 4.873 50 0 IJAAMM CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)[N-]c2ccccc2CC)cc1 ZINC000033297879 557073605 /nfs/dbraw/zinc/07/36/05/557073605.db2.gz VFVYIQPIAKOXGZ-QINSGFPZSA-N -1 1 439.537 4.865 50 0 IJAAMM CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cc1 ZINC000033297947 557073896 /nfs/dbraw/zinc/07/38/96/557073896.db2.gz PKLORHGZBQANBQ-WDZFZDKYSA-N -1 1 447.463 4.581 50 0 IJAAMM CCCc1cc(=O)[n-]c(S[C@H](C)c2nc(=O)c3c(-c4cccs4)csc3[nH]2)n1 ZINC000011443603 557148343 /nfs/dbraw/zinc/14/83/43/557148343.db2.gz XDSMJZZSDSPRHS-SNVBAGLBSA-N -1 1 430.580 4.602 50 0 IJAAMM O=C(CCn1c(=S)[n-]nc1-c1cccs1)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000011526647 557159560 /nfs/dbraw/zinc/15/95/60/557159560.db2.gz ABDKMYNNXBWXKQ-UHFFFAOYSA-N -1 1 439.522 4.543 50 0 IJAAMM COc1ccc(N2Oc3c(O)n(-c4ccc(C)c(Cl)c4)c(O)c3[C@@H]2c2ccccc2)cc1 ZINC000100891986 557198604 /nfs/dbraw/zinc/19/86/04/557198604.db2.gz BDLOFNBNMNAGLG-VABKMULXSA-N -1 1 448.906 4.708 50 0 IJAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccccn1 ZINC000100079523 557229732 /nfs/dbraw/zinc/22/97/32/557229732.db2.gz RIWFVDNGMFNDHT-UHFFFAOYSA-N -1 1 437.503 4.661 50 0 IJAAMM O=C(c1cc2ccccc2cc1[O-])N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000018079025 557235286 /nfs/dbraw/zinc/23/52/86/557235286.db2.gz HGTRXGXQHCKRHE-UHFFFAOYSA-N -1 1 435.833 4.575 50 0 IJAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1cccnc1 ZINC000100083286 557240291 /nfs/dbraw/zinc/24/02/91/557240291.db2.gz DSZLSPNBJCJAPR-UHFFFAOYSA-N -1 1 437.503 4.661 50 0 IJAAMM Cc1ccc(-n2nc3c4cc(C(=O)N5C[C@H](C)C[C@H](C)C5)ccc4[n-]cc-3c2=O)cc1C ZINC000101827845 557299729 /nfs/dbraw/zinc/29/97/29/557299729.db2.gz OUJUDGJFQVBDGQ-IYBDPMFKSA-N -1 1 428.536 4.554 50 0 IJAAMM CCCCc1c(C)nc2[n-]c(N(Cc3ccccc3Cl)C(=O)c3ccccc3)nn2c1=O ZINC000101861373 557304148 /nfs/dbraw/zinc/30/41/48/557304148.db2.gz VVVZTHNLUOQPFS-UHFFFAOYSA-N -1 1 449.942 4.569 50 0 IJAAMM Cc1ccc(OCCSc2nc(-c3ccccc3C)nc3cc(=O)[n-]n32)cc1Cl ZINC000008603010 562955882 /nfs/dbraw/zinc/95/58/82/562955882.db2.gz ZGFQESGLNIWGOP-UHFFFAOYSA-N -1 1 426.929 4.526 50 0 IJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCCCCC4)nn3)cc2)c(C)c1 ZINC000008610104 562958103 /nfs/dbraw/zinc/95/81/03/562958103.db2.gz DPDUGHSBIVUMRF-UHFFFAOYSA-N -1 1 436.581 4.942 50 0 IJAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3ccccc3)CC(=O)O4)c2=O)cc1OC ZINC000263585195 568758929 /nfs/dbraw/zinc/75/89/29/568758929.db2.gz GFJGGHYAOLFCMY-INIZCTEOSA-N -1 1 444.439 4.624 50 0 biogenic IJAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2ccccc2)cc1OC ZINC000263585195 568758932 /nfs/dbraw/zinc/75/89/32/568758932.db2.gz GFJGGHYAOLFCMY-INIZCTEOSA-N -1 1 444.439 4.624 50 0 biogenic IJAAMM O=C(Nc1nc2cc([N-]S(=O)(=O)c3ccc(F)c(F)c3)ccc2s1)c1ccccc1 ZINC000015870198 568851578 /nfs/dbraw/zinc/85/15/78/568851578.db2.gz BEWMSJFDGKKEGA-UHFFFAOYSA-N -1 1 445.472 4.628 50 0 IJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000012949752 568871867 /nfs/dbraw/zinc/87/18/67/568871867.db2.gz HAHANVJFNLYXLA-UHFFFAOYSA-N -1 1 442.556 4.634 50 0 IJAAMM C[C@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)c1ccccc1 ZINC000006250864 568880996 /nfs/dbraw/zinc/88/09/96/568880996.db2.gz ZSUHWPCPDKNNLQ-HNNXBMFYSA-N -1 1 448.466 4.997 50 0 IJAAMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(=O)NC1CCCCC1 ZINC000064862166 568973974 /nfs/dbraw/zinc/97/39/74/568973974.db2.gz IFKDQFNMCRNAOR-UHFFFAOYSA-N -1 1 447.988 4.854 50 0 IJAAMM CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)[N-]c2cccc(CC)c2)c1 ZINC000065116354 569107370 /nfs/dbraw/zinc/10/73/70/569107370.db2.gz ZJBWKOJFAGXEJM-UHFFFAOYSA-N -1 1 427.526 4.534 50 0 IJAAMM COc1cc([N-]S(=O)(=O)c2ccc(C)cc2)c([C@@H](O)c2ccccc2Cl)cc1OC ZINC000002279917 569218003 /nfs/dbraw/zinc/21/80/03/569218003.db2.gz DGIDEWZNJWPYEF-QFIPXVFZSA-N -1 1 447.940 4.548 50 0 IJAAMM CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2cc(Cl)cc3c2OCOC3)S1 ZINC000096116684 569383750 /nfs/dbraw/zinc/38/37/50/569383750.db2.gz NZFNCZMJHHAUTC-KBXCAEBGSA-N -1 1 449.960 4.713 50 0 IJAAMM O=S(=O)([N-]c1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc(Cl)c(Cl)c1 ZINC000002649464 569414515 /nfs/dbraw/zinc/41/45/15/569414515.db2.gz QALPGXROCHFNLH-UHFFFAOYSA-N -1 1 437.352 4.779 50 0 IJAAMM CCN1c2ccccc2Oc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2C1=O ZINC000008961104 569490914 /nfs/dbraw/zinc/49/09/14/569490914.db2.gz JPUDNCJWCYRYNZ-UHFFFAOYSA-N -1 1 428.897 4.913 50 0 IJAAMM O=C(CCC1CCCC1)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000009203455 569511286 /nfs/dbraw/zinc/51/12/86/569511286.db2.gz ZONSUQIWYWTFEY-UHFFFAOYSA-N -1 1 444.553 4.558 50 0 IJAAMM Cc1ccccc1-n1c2nnc([S-])n2c2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000009339700 569523789 /nfs/dbraw/zinc/52/37/89/569523789.db2.gz LYDHZJRDJVHOIQ-UHFFFAOYSA-N -1 1 428.561 4.902 50 0 IJAAMM CCSc1ncc(Cl)c(C(=O)[N-]c2nnc(SCc3ccc(C)cc3)s2)n1 ZINC000009431804 569534283 /nfs/dbraw/zinc/53/42/83/569534283.db2.gz DJZIADBNYFRCSJ-UHFFFAOYSA-N -1 1 438.003 4.947 50 0 IJAAMM Cc1nc2ccccc2c(=O)n1-c1cccc([N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000009707401 569561460 /nfs/dbraw/zinc/56/14/60/569561460.db2.gz LPDPBBIYEHZHMY-UHFFFAOYSA-N -1 1 441.512 4.648 50 0 IJAAMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc4sccc4c3)c2)cc1 ZINC000009714873 569562971 /nfs/dbraw/zinc/56/29/71/569562971.db2.gz WOENFQULIJEPAM-UHFFFAOYSA-N -1 1 438.530 4.963 50 0 IJAAMM CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000033297877 521196399 /nfs/dbraw/zinc/19/63/99/521196399.db2.gz CGCPOXIOYVQUGZ-KAMYIIQDSA-N -1 1 439.537 4.920 50 0 IJAAMM CCOc1ccccc1NC(=O)Cc1c(C)nc(SCc2cccc(Cl)c2)[n-]c1=O ZINC000035596852 521532951 /nfs/dbraw/zinc/53/29/51/521532951.db2.gz ADVJBKKICGIMAI-UHFFFAOYSA-N -1 1 443.956 4.604 50 0 IJAAMM CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000012508232 523627933 /nfs/dbraw/zinc/62/79/33/523627933.db2.gz JNRNAHISCXWDRI-HXUWFJFHSA-N -1 1 426.563 4.699 50 0 IJAAMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H](C)c2ccccc2Br)cc1 ZINC000012999620 525789356 /nfs/dbraw/zinc/78/93/56/525789356.db2.gz CXQWZANFTRHFEQ-CQSZACIVSA-N -1 1 445.386 4.946 50 0 IJAAMM O=C1C[C@@H](c2cc(F)ccc2F)c2c(=O)[n-]c(SCc3cccc(Cl)c3)nc2N1 ZINC000021785002 527023511 /nfs/dbraw/zinc/02/35/11/527023511.db2.gz NTJKUBYHHDBLIL-AWEZNQCLSA-N -1 1 433.867 4.880 50 0 IJAAMM Cn1c2ccccc2nc1CCc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000021356988 527113903 /nfs/dbraw/zinc/11/39/03/527113903.db2.gz LSIJOOODAJFWKL-UHFFFAOYSA-N -1 1 425.941 4.813 50 0 IJAAMM O=S(=O)([N-]c1ccc(-c2ccc(N3CCCCCC3)nn2)cc1)c1ccc(Cl)cc1 ZINC000020554898 527247019 /nfs/dbraw/zinc/24/70/19/527247019.db2.gz DHDQSGGBXBFSBQ-UHFFFAOYSA-N -1 1 442.972 4.978 50 0 IJAAMM Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)Cn1c(-c2cccc(C)c2)n[n-]c1=S ZINC000012742356 527523079 /nfs/dbraw/zinc/52/30/79/527523079.db2.gz MVIBRBZWAMXSBR-UHFFFAOYSA-N -1 1 432.553 4.666 50 0 IJAAMM Cc1nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)[n-]c(=O)c1Cc1ccccc1 ZINC000001151127 555656468 /nfs/dbraw/zinc/65/64/68/555656468.db2.gz ZLQOCRQRBKPAFV-UHFFFAOYSA-N -1 1 434.348 4.707 50 0 IJAAMM CCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4o3)c([O-])c2)cc1 ZINC000001174775 555669240 /nfs/dbraw/zinc/66/92/40/555669240.db2.gz MVZSAKWMRBUICI-UHFFFAOYSA-N -1 1 433.489 4.726 50 0 IJAAMM Cc1cccc([N-]S(=O)(=O)c2ccc(Br)c(C(=O)Nc3ccccc3)c2)c1 ZINC000002864785 555846751 /nfs/dbraw/zinc/84/67/51/555846751.db2.gz GTCZDRDLODTFFU-UHFFFAOYSA-N -1 1 445.338 4.811 50 0 IJAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc4cccnc43)c2)cc1F ZINC000008746761 556209992 /nfs/dbraw/zinc/20/99/92/556209992.db2.gz FRMQKDJBPQWVTP-UHFFFAOYSA-N -1 1 435.480 4.735 50 0 IJAAMM O=C(Nc1ccc(Br)cc1F)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000013896605 556329598 /nfs/dbraw/zinc/32/95/98/556329598.db2.gz XKMIRLRKYWURSB-UHFFFAOYSA-N -1 1 449.301 4.641 50 0 IJAAMM O=C(NCc1cccc(Cl)c1)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000013146166 556488083 /nfs/dbraw/zinc/48/80/83/556488083.db2.gz ULUAHJNQGYIQPX-UHFFFAOYSA-N -1 1 435.332 4.724 50 0 IJAAMM C[C@@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)c1ccco1 ZINC000015135281 556505767 /nfs/dbraw/zinc/50/57/67/556505767.db2.gz VZRUSLUQBLRLON-CYBMUJFWSA-N -1 1 438.427 4.590 50 0 IJAAMM CCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2)CC1 ZINC000033115460 556555423 /nfs/dbraw/zinc/55/54/23/556555423.db2.gz NDLUAMMBKMTJSO-UHFFFAOYSA-N -1 1 426.582 4.703 50 0 IJAAMM CC(C)CNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000033274794 556559228 /nfs/dbraw/zinc/55/92/28/556559228.db2.gz CMIIVRPEPBGLDA-UHFFFAOYSA-N -1 1 428.598 4.589 50 0 IJAAMM CCc1c(C)nc(-n2nc(-c3cccs3)cc2NC(=O)CCCc2ccccc2)[n-]c1=O ZINC000011855153 556662083 /nfs/dbraw/zinc/66/20/83/556662083.db2.gz JMAHGMLRXIMVSW-UHFFFAOYSA-N -1 1 447.564 4.516 50 0 IJAAMM CCOc1ccc(-c2nc(N)nc(C(F)(F)F)c2-c2ccc(OC)c(OC)c2)c([O-])c1 ZINC000011866374 556666598 /nfs/dbraw/zinc/66/65/98/556666598.db2.gz NIKQHCVXNHRGMP-UHFFFAOYSA-N -1 1 435.402 4.533 50 0 IJAAMM COc1ccc([N-]S(=O)(=O)c2cc(-c3nc(-c4cccc(F)c4)no3)sc2C)cc1 ZINC000046141489 556692963 /nfs/dbraw/zinc/69/29/63/556692963.db2.gz WHJWDBHGCGFMJH-UHFFFAOYSA-N -1 1 445.497 4.722 50 0 IJAAMM Cc1cccc(N2CCN(c3nc(=O)c4scc(-c5ccccc5Cl)c4[n-]3)CC2)c1 ZINC000048986616 556702771 /nfs/dbraw/zinc/70/27/71/556702771.db2.gz OUMRMJOEPHFLKJ-UHFFFAOYSA-N -1 1 436.968 4.940 50 0 IJAAMM CC(C)CCOC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000001000556 556761869 /nfs/dbraw/zinc/76/18/69/556761869.db2.gz QAMCRFDWJJOJIJ-UHFFFAOYSA-N -1 1 441.347 4.845 50 0 IJAAMM Cc1cccc(N2CCN(c3nc(=O)c4scc(-c5ccc(Cl)cc5)c4[n-]3)CC2)c1 ZINC000064611597 556825736 /nfs/dbraw/zinc/82/57/36/556825736.db2.gz GYXUBRLQANKZJK-UHFFFAOYSA-N -1 1 436.968 4.940 50 0 IJAAMM Cc1cccc(OCc2nc(-c3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)no2)c1 ZINC000033276516 557056646 /nfs/dbraw/zinc/05/66/46/557056646.db2.gz CEWAPCPSLTUDNN-UHFFFAOYSA-N -1 1 439.468 4.564 50 0 IJAAMM O=C(Cc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1)Nc1ccccc1 ZINC000024812106 557168398 /nfs/dbraw/zinc/16/83/98/557168398.db2.gz RSMDIXNCKBLLIW-UHFFFAOYSA-N -1 1 435.332 4.975 50 0 IJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)cc1C ZINC000024864398 557172153 /nfs/dbraw/zinc/17/21/53/557172153.db2.gz RBWGIIXHHMGTHR-UHFFFAOYSA-N -1 1 430.961 4.743 50 0 IJAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3cnc(C4CC4)o3)cc2)cc1Br ZINC000026548314 557244509 /nfs/dbraw/zinc/24/45/09/557244509.db2.gz BZXRVYWRZVLTFD-UHFFFAOYSA-N -1 1 449.326 4.791 50 0 IJAAMM CC[C@@H]1CCCCN1C(=O)c1ccc2[n-]cc3c(=O)n(-c4ccc(Cl)cc4)nc-3c2c1 ZINC000101827713 557299545 /nfs/dbraw/zinc/29/95/45/557299545.db2.gz WABWLLBQRJFQDR-QGZVFWFLSA-N -1 1 434.927 4.877 50 0 IJAAMM CCCCc1c(C)nc2[n-]c(N(Cc3cccc(Cl)c3)C(=O)c3ccccc3)nn2c1=O ZINC000101878486 557304593 /nfs/dbraw/zinc/30/45/93/557304593.db2.gz NIEMREJZFQYKAT-UHFFFAOYSA-N -1 1 449.942 4.569 50 0 IJAAMM CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c([O-])c2)c1 ZINC000008598793 562954450 /nfs/dbraw/zinc/95/44/50/562954450.db2.gz KCZZFAGRQUOVIC-UHFFFAOYSA-N -1 1 438.530 4.715 50 0 IJAAMM CCCOc1ccccc1[C@H]1CC(=O)Nc2nc(SCc3cccc(C)c3)[n-]c(=O)c21 ZINC000086057133 568642470 /nfs/dbraw/zinc/64/24/70/568642470.db2.gz DZDBBZKAQHOVJI-GOSISDBHSA-N -1 1 435.549 4.634 50 0 IJAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3ccccc3)CC(=O)O4)c2=O)cc1OC ZINC000263585196 568758982 /nfs/dbraw/zinc/75/89/82/568758982.db2.gz GFJGGHYAOLFCMY-MRXNPFEDSA-N -1 1 444.439 4.624 50 0 biogenic IJAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2ccccc2)cc1OC ZINC000263585196 568758984 /nfs/dbraw/zinc/75/89/84/568758984.db2.gz GFJGGHYAOLFCMY-MRXNPFEDSA-N -1 1 444.439 4.624 50 0 biogenic IJAAMM Cc1cccc(S(=O)(=O)[N-]c2ccc3sc(NC(=O)C4CCCCC4)nc3c2)c1 ZINC000015870276 568851668 /nfs/dbraw/zinc/85/16/68/568851668.db2.gz CTWZECKLTFHWAP-UHFFFAOYSA-N -1 1 429.567 4.924 50 0 IJAAMM O=C(NC1CCCCC1)N1CCc2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)ccc21 ZINC000064862048 568973840 /nfs/dbraw/zinc/97/38/40/568973840.db2.gz AELGIIVRMGRFNH-UHFFFAOYSA-N -1 1 433.961 4.546 50 0 IJAAMM COc1cccc(-c2cc(=O)[n-]c(SCc3nc(-c4ccc(F)c(Cl)c4)no3)n2)c1 ZINC000065330978 569137120 /nfs/dbraw/zinc/13/71/20/569137120.db2.gz MNKDTFHLQWONER-UHFFFAOYSA-N -1 1 444.875 4.993 50 0 IJAAMM Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)N[C@@H]1CCCc2c3cccc(Cl)c3[nH]c21 ZINC000253401338 569265005 /nfs/dbraw/zinc/26/50/05/569265005.db2.gz FNNFJUGRXAABRZ-LJQANCHMSA-N -1 1 436.895 4.678 50 0 biogenic IJAAMM COc1ccc([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3[C@@H]2CCOC(C)(C)C2)c(OC)c1OC ZINC000095475024 569372592 /nfs/dbraw/zinc/37/25/92/569372592.db2.gz OJAXOPYCUPNWGW-YJYMSZOUSA-N -1 1 447.557 4.631 50 0 IJAAMM O=c1cc2c(c3occ(-c4ccc(O)cc4)c([O-])c1-3)[C@@H](c1ccc(F)cc1F)CC(=O)O2 ZINC000096116060 569383497 /nfs/dbraw/zinc/38/34/97/569383497.db2.gz BLHOCPCSVSHPNF-OAHLLOKOSA-N -1 1 436.366 4.590 50 0 biogenic IJAAMM CCC1=CO[C@](CC)([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)CC1 ZINC000226863503 569429905 /nfs/dbraw/zinc/42/99/05/569429905.db2.gz SCQXXMAARAHUFR-ONJIFJTESA-N -1 1 432.520 4.618 50 0 IJAAMM O=C(NCc1ccco1)c1cc2ccc([O-])cc2o/c1=N\c1ccc(OC(F)(F)F)cc1 ZINC000067299303 569468178 /nfs/dbraw/zinc/46/81/78/569468178.db2.gz IPFXZMYJXMEFPU-MEFGMAGPSA-N -1 1 444.365 4.792 50 0 IJAAMM CCCCOC(=O)c1c(C)oc2cc(C)c([N-]S(=O)(=O)c3ccc(OC)cc3)cc21 ZINC000008870351 569480524 /nfs/dbraw/zinc/48/05/24/569480524.db2.gz YBMPJAXQGDIAPL-UHFFFAOYSA-N -1 1 431.510 4.816 50 0 IJAAMM COc1ccc(OC)c(CNCc2c(C)n(Cc3ccc(Cl)cc3)c(C)c2C(=O)[O-])c1 ZINC000008932854 569487724 /nfs/dbraw/zinc/48/77/24/569487724.db2.gz MHELEXAZWYAIMW-UHFFFAOYSA-N -1 1 442.943 4.812 50 0 IJAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)Nc2cc(C)ccc2O3)cc1F ZINC000008961339 569490951 /nfs/dbraw/zinc/49/09/51/569490951.db2.gz HKCZQUHAUFFGPH-UHFFFAOYSA-N -1 1 442.468 4.692 50 0 IJAAMM CCC1=CO[C@](CC)([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)CC1 ZINC000245380892 569505578 /nfs/dbraw/zinc/50/55/78/569505578.db2.gz SCQXXMAARAHUFR-KSZLKVKMSA-N -1 1 432.520 4.618 50 0 IJAAMM O=S(=O)([N-]c1cccc(Cl)c1)c1cccc(NC(=S)NCc2ccccc2)c1 ZINC000009137156 569507127 /nfs/dbraw/zinc/50/71/27/569507127.db2.gz JYOONLATFFUBHI-UHFFFAOYSA-N -1 1 431.970 4.627 50 0 IJAAMM Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3CCC(C)C)c1 ZINC000009169379 569509224 /nfs/dbraw/zinc/50/92/24/569509224.db2.gz WKHNGKVFFGWHET-UHFFFAOYSA-N -1 1 430.570 4.594 50 0 IJAAMM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(NC(=O)Nc3ccccc3F)c2)cc1 ZINC000009285162 569519167 /nfs/dbraw/zinc/51/91/67/569519167.db2.gz LDYINCQSGGIPKV-UHFFFAOYSA-N -1 1 449.891 4.933 50 0 IJAAMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(Cl)cc3)c2)cc1 ZINC000009586111 569549637 /nfs/dbraw/zinc/54/96/37/569549637.db2.gz FAZRBIGXVNOALY-UHFFFAOYSA-N -1 1 430.913 4.792 50 0 IJAAMM Cc1ccc(Cl)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000009588395 569549884 /nfs/dbraw/zinc/54/98/84/569549884.db2.gz ILTJJSGCDLNJEW-UHFFFAOYSA-N -1 1 436.867 4.980 50 0 IJAAMM Cc1ccc(-c2nc3cc(=O)[n-]n3c(SCCCOc3ccccc3Cl)n2)cc1 ZINC000009640709 569555495 /nfs/dbraw/zinc/55/54/95/569555495.db2.gz WIILZCLEGKKSJX-UHFFFAOYSA-N -1 1 426.929 4.608 50 0 IJAAMM O=C(Nc1nc2c(cccc2F)s1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000009714956 569562940 /nfs/dbraw/zinc/56/29/40/569562940.db2.gz MDLZCQUCTMYVSB-UHFFFAOYSA-N -1 1 445.472 4.628 50 0 IJAAMM Cc1nc2cc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3)ccc2s1 ZINC000009714908 569562949 /nfs/dbraw/zinc/56/29/49/569562949.db2.gz KJPSEQDMJQQPBK-UHFFFAOYSA-N -1 1 437.546 4.966 50 0 IJAAMM CN1c2ccccc2Oc2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2C1=O ZINC000009827882 569569680 /nfs/dbraw/zinc/56/96/80/569569680.db2.gz AFLRIOMBRCUIGH-UHFFFAOYSA-N -1 1 432.860 4.662 50 0 IJAAMM CC(=O)Nc1ccc(NC(=O)CCn2c(=S)[n-]nc2-c2cccc(C)c2)cc1Cl ZINC000012737321 519721988 /nfs/dbraw/zinc/72/19/88/519721988.db2.gz ZXZXIWULFCCKDY-UHFFFAOYSA-N -1 1 429.933 4.557 50 0 IJAAMM Cc1ccc(NC(=O)[C@H]2C[C@H]2C)cc1S(=O)(=O)[N-]c1ccc(SC(F)F)cc1 ZINC000012535940 525227090 /nfs/dbraw/zinc/22/70/90/525227090.db2.gz SCQJKUZYHGPTIK-WBMJQRKESA-N -1 1 426.510 4.705 50 0 IJAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N(C)Cc3ccco3)c2)cc1C ZINC000012604899 525299140 /nfs/dbraw/zinc/29/91/40/525299140.db2.gz GSCCWQJABJKACZ-UHFFFAOYSA-N -1 1 432.929 4.623 50 0 IJAAMM COc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4cccc(OC)c4)cc3)sc2c1 ZINC000033169192 525657076 /nfs/dbraw/zinc/65/70/76/525657076.db2.gz UUQLKESROBTVOZ-UHFFFAOYSA-N -1 1 426.519 4.781 50 0 IJAAMM O=C(CCC1CCCCC1)Nc1cc(C2CC2)nn1-c1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000012128443 526408908 /nfs/dbraw/zinc/40/89/08/526408908.db2.gz YQOZKYURKUNXJY-UHFFFAOYSA-N -1 1 431.540 4.799 50 0 IJAAMM Cc1noc(C(C)C)c1C(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-] ZINC000012797016 526465084 /nfs/dbraw/zinc/46/50/84/526465084.db2.gz SQBQHKXQVMSULV-UHFFFAOYSA-N -1 1 449.916 4.519 50 0 IJAAMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000022703973 527355836 /nfs/dbraw/zinc/35/58/36/527355836.db2.gz OFMVGFHHUKNBDT-UHFFFAOYSA-N -1 1 428.539 4.739 50 0 IJAAMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)n1 ZINC000001163458 555663009 /nfs/dbraw/zinc/66/30/09/555663009.db2.gz LVHIMVPJVHNUDT-UHFFFAOYSA-N -1 1 429.929 4.899 50 0 IJAAMM CO[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1)c1ccccc1 ZINC000002818859 555829486 /nfs/dbraw/zinc/82/94/86/555829486.db2.gz OHMGHQGVVQXVQZ-OAQYLSRUSA-N -1 1 444.940 4.775 50 0 IJAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccco4)c3[C@H]2c2ccccc2OC)cc1 ZINC000008595771 556190288 /nfs/dbraw/zinc/19/02/88/556190288.db2.gz FKHLIPZHWJWUCR-HSZRJFAPSA-N -1 1 443.459 4.605 50 0 aggregator IJAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccco4)c3[C@@H]2c2cccc(OC)c2)cc1 ZINC000008595779 556190503 /nfs/dbraw/zinc/19/05/03/556190503.db2.gz NMGXZYUYMYVGRC-QHCPKHFHSA-N -1 1 443.459 4.605 50 0 IJAAMM Cc1ccc2nc(Nc3nc(CSc4nc5ccccc5s4)cc(=O)[n-]3)nc(C)c2c1 ZINC000008682430 556199235 /nfs/dbraw/zinc/19/92/35/556199235.db2.gz LCYYOBSZDJWCII-UHFFFAOYSA-N -1 1 446.561 4.976 50 0 IJAAMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl ZINC000014097631 556367925 /nfs/dbraw/zinc/36/79/25/556367925.db2.gz FVRWRNCDTMVFBK-UHFFFAOYSA-N -1 1 427.231 4.771 50 0 IJAAMM O=C(c1ccc(-c2ccc3c(c2)OCCO3)s1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000014185441 556385404 /nfs/dbraw/zinc/38/54/04/556385404.db2.gz CALWICBLUFOPLY-UHFFFAOYSA-N -1 1 449.528 4.627 50 0 IJAAMM Cc1ccsc1[C@@H]1c2c(=O)[n-]c(SCC(C)C)nc2NC(C)=C1C(=O)OC(C)C ZINC000013114390 556466726 /nfs/dbraw/zinc/46/67/26/556466726.db2.gz ADAIECLUWRUAQV-HNNXBMFYSA-N -1 1 433.599 4.671 50 0 IJAAMM O=C(Nc1ccccc1)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Br ZINC000001177361 556574180 /nfs/dbraw/zinc/57/41/80/556574180.db2.gz LSZXHDVCWUCVTQ-UHFFFAOYSA-N -1 1 449.301 4.641 50 0 IJAAMM CCOC(=O)C1=C(NC(=O)c2cccc(Br)c2)[N-]c2ccccc2N=C1CC ZINC000016035727 556577783 /nfs/dbraw/zinc/57/77/83/556577783.db2.gz VTFLZKYDCDCJAN-UHFFFAOYSA-N -1 1 442.313 4.562 50 0 IJAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccncc1 ZINC000100724258 556657790 /nfs/dbraw/zinc/65/77/90/556657790.db2.gz YUPBJYUNCYJQEI-UHFFFAOYSA-N -1 1 437.503 4.661 50 0 IJAAMM Cc1cc(=O)[n-]c(-n2nc(-c3cccs3)cc2NC(=O)c2ccc(Cl)cc2Cl)n1 ZINC000011854396 556661739 /nfs/dbraw/zinc/66/17/39/556661739.db2.gz IIBWKAQDVDZZDX-UHFFFAOYSA-N -1 1 446.319 4.552 50 0 IJAAMM CC(C)c1cc(=O)[n-]c(-n2nc(-c3ccco3)cc2NC(=O)c2cccc3ccccc32)n1 ZINC000012007787 556680631 /nfs/dbraw/zinc/68/06/31/556680631.db2.gz PKCBRGRHPINDJJ-UHFFFAOYSA-N -1 1 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Cc1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Br)cc3)c2)c1 ZINC000001230297 555686603 /nfs/dbraw/zinc/68/66/03/555686603.db2.gz QVMXOZIUOQQIAE-UHFFFAOYSA-N -1 1 445.338 4.811 50 0 IJAAMM COc1ccc(C)cc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1 ZINC000002886342 555858013 /nfs/dbraw/zinc/85/80/13/555858013.db2.gz WJKMJWSASGYVKO-UHFFFAOYSA-N -1 1 438.549 4.982 50 0 IJAAMM Cc1c(S(=O)(=O)c2ccc(Cl)cc2)csc1C(=O)[N-]c1nnc(C2CC2)s1 ZINC000008636666 556194403 /nfs/dbraw/zinc/19/44/03/556194403.db2.gz NEZDNQINCCDIBF-UHFFFAOYSA-N -1 1 439.971 4.524 50 0 IJAAMM Cc1cccc(NC(=O)[C@@H](C)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)c1 ZINC000013098093 556458817 /nfs/dbraw/zinc/45/88/17/556458817.db2.gz NSHIUNLISZBBCZ-MRXNPFEDSA-N -1 1 443.956 4.888 50 0 IJAAMM Cc1ccsc1[C@H]1c2c(=O)[n-]c(SCC(C)C)nc2NC(C)=C1C(=O)OC(C)C ZINC000013114389 556466766 /nfs/dbraw/zinc/46/67/66/556466766.db2.gz ADAIECLUWRUAQV-OAHLLOKOSA-N -1 1 433.599 4.671 50 0 IJAAMM CCOc1cc2c(cc1NC(=O)CCn1c(=S)[n-]nc1-c1ccc(C)cc1)O[C@H](C)C2 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/nfs/dbraw/zinc/85/10/91/556851091.db2.gz HSZGFMCDDKVWFU-UHFFFAOYSA-N -1 1 434.521 4.564 50 0 IJAAMM COc1cc(OC)c(NC(=O)CCn2c(=S)[n-]nc2-c2ccc(C)cc2)cc1Cl ZINC000011602158 557207613 /nfs/dbraw/zinc/20/76/13/557207613.db2.gz POOAAXCNTASGGO-UHFFFAOYSA-N -1 1 432.933 4.616 50 0 IJAAMM O=C(NCc1cccc(Cl)c1)c1ccc2[n-]cc3c(=O)n(-c4ccc(F)cc4)nc-3c2c1 ZINC000101828671 557300150 /nfs/dbraw/zinc/30/01/50/557300150.db2.gz LEQRUAUJQIEUPG-UHFFFAOYSA-N -1 1 446.869 4.541 50 0 IJAAMM CCC(=O)Nc1nc2c(cc([N-]S(=O)(=O)c3ccc(CC(C)C)cc3)cc2OC)s1 ZINC000033007893 557320779 /nfs/dbraw/zinc/32/07/79/557320779.db2.gz QQXCSXJBTQZACB-UHFFFAOYSA-N -1 1 447.582 4.653 50 0 IJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1CCC[C@H]1c1cccs1 ZINC000040161015 557709486 /nfs/dbraw/zinc/70/94/86/557709486.db2.gz GWQVMHACCMSAFO-FQEVSTJZSA-N -1 1 444.553 4.974 50 0 IJAAMM COc1ccc(Cn2c3cc(OC)ccc3c(CNCc3ccc(C)o3)c2C(=O)[O-])cc1 ZINC000008595245 562953384 /nfs/dbraw/zinc/95/33/84/562953384.db2.gz IVYUKNDIDKDNDQ-UHFFFAOYSA-N -1 1 434.492 4.596 50 0 IJAAMM CCOc1cccc([C@@H]2CC(=O)Nc3nc(SCc4ccc(Cl)cc4)[n-]c(=O)c32)c1 ZINC000086057595 568642765 /nfs/dbraw/zinc/64/27/65/568642765.db2.gz XHSNGCHBGJIGJK-KRWDZBQOSA-N -1 1 441.940 4.588 50 0 IJAAMM Cc1cccc(N2CCN(Cc3cc(-c4cccs4)ccc3OCC(=O)[O-])CC2)c1C ZINC000299782873 568757347 /nfs/dbraw/zinc/75/73/47/568757347.db2.gz JOCMDQDHOLJTIH-UHFFFAOYSA-N -1 1 436.577 4.818 50 0 IJAAMM COc1ccc(CNCc2c(C)n(Cc3cc(C)ccc3C)c(C)c2C(=O)[O-])c(OC)c1 ZINC000015777007 568823656 /nfs/dbraw/zinc/82/36/56/568823656.db2.gz OHGOTEPAIRIONR-UHFFFAOYSA-N -1 1 436.552 4.775 50 0 IJAAMM Cn1c2ccccc2nc1CCc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000015870518 568851966 /nfs/dbraw/zinc/85/19/66/568851966.db2.gz VRINWZYFGQJHFS-UHFFFAOYSA-N -1 1 425.941 4.813 50 0 IJAAMM Cc1sc(C)c(S(=O)(=O)[N-]c2ccc(Br)cc2F)c1-c1ccno1 ZINC000064845061 568972010 /nfs/dbraw/zinc/97/20/10/568972010.db2.gz MBDCYVFBQMMHQA-UHFFFAOYSA-N -1 1 431.308 4.722 50 0 IJAAMM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(=O)NC1CCCCC1 ZINC000064862087 568973818 /nfs/dbraw/zinc/97/38/18/568973818.db2.gz GGIUDJPEMIOGAD-UHFFFAOYSA-N -1 1 427.570 4.509 50 0 IJAAMM Cc1ccc([N-]S(=O)(=O)c2cc(-c3nnc(C4CC4)o3)cs2)c(Br)c1 ZINC000065098713 569104187 /nfs/dbraw/zinc/10/41/87/569104187.db2.gz RQFPCMKKWRTWNT-UHFFFAOYSA-N -1 1 440.344 4.547 50 0 IJAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000065535598 569139526 /nfs/dbraw/zinc/13/95/26/569139526.db2.gz FYXKORLLFPMXKF-UHFFFAOYSA-N -1 1 439.581 4.827 50 0 IJAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1NC(=O)c1ccc(C)cc1 ZINC000010060044 569152446 /nfs/dbraw/zinc/15/24/46/569152446.db2.gz NYOBJCCTWQOVMA-UHFFFAOYSA-N -1 1 448.903 4.849 50 0 IJAAMM COc1ccccc1/C=C(/C(=O)OCc1cc(=O)oc2cc([O-])ccc12)c1ccccc1 ZINC000010021973 569299219 /nfs/dbraw/zinc/29/92/19/569299219.db2.gz KZSNDEPEFIONDF-LPYMAVHISA-N -1 1 428.440 4.791 50 0 IJAAMM C[C@@]1(c2ccc(Cl)cc2Cl)[N-]C(=O)N(Cc2c(F)c(F)c(F)c(F)c2F)C1=O ZINC000013163959 569312351 /nfs/dbraw/zinc/31/23/51/569312351.db2.gz MDZDXWOSQADHEJ-KRWDZBQOSA-N -1 1 439.167 4.656 50 0 IJAAMM COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3[C@H]2CCOC(C)(C)C2)cc(OC)c1OC ZINC000095478040 569373395 /nfs/dbraw/zinc/37/33/95/569373395.db2.gz BIRKSJKFKIWXDT-LIRRHRJNSA-N -1 1 447.557 4.631 50 0 IJAAMM CCc1c(C)sc2nc(-c3ccc(C(=O)Nc4ccc(NC(C)=O)cc4)cc3)[n-]c(=O)c12 ZINC000003353867 569447533 /nfs/dbraw/zinc/44/75/33/569447533.db2.gz WIWVQBHAHBDMCS-UHFFFAOYSA-N -1 1 446.532 4.733 50 0 IJAAMM Cc1cc(C)n(-c2ccccc2NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)n1 ZINC000031543643 569456715 /nfs/dbraw/zinc/45/67/15/569456715.db2.gz FKCVULVNKRJNBQ-UHFFFAOYSA-N -1 1 446.532 4.542 50 0 IJAAMM O=C(COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1)Nc1ccc2[nH]ccc2c1 ZINC000008765433 569474755 /nfs/dbraw/zinc/47/47/55/569474755.db2.gz RWFTVEXOSPWLBX-UHFFFAOYSA-N -1 1 426.428 4.664 50 0 biogenic IJAAMM O=C(COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)Nc1ccc2[nH]ccc2c1 ZINC000008765433 569474756 /nfs/dbraw/zinc/47/47/56/569474756.db2.gz RWFTVEXOSPWLBX-UHFFFAOYSA-N -1 1 426.428 4.664 50 0 biogenic IJAAMM Cc1ccc2c(c1)N(C)C(=O)c1cc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)ccc1O2 ZINC000008961462 569491125 /nfs/dbraw/zinc/49/11/25/569491125.db2.gz JATSWAHQLNIYER-UHFFFAOYSA-N -1 1 446.887 4.971 50 0 IJAAMM O=C(c1cccs1)N1CCc2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2C1 ZINC000008977268 569492943 /nfs/dbraw/zinc/49/29/43/569492943.db2.gz JTABWPNPHMGUAC-UHFFFAOYSA-N -1 1 448.569 4.901 50 0 IJAAMM CC(C)CN1c2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2OCC(C)(C)C1=O ZINC000009168060 569509113 /nfs/dbraw/zinc/50/91/13/569509113.db2.gz QDJQVPWAECFSCH-UHFFFAOYSA-N -1 1 436.961 4.548 50 0 IJAAMM Cc1cc(C)cc(OCCSc2nc(-c3ccc(Cl)cc3)nc3cc(=O)[n-]n32)c1 ZINC000009640886 569555472 /nfs/dbraw/zinc/55/54/72/569555472.db2.gz YTJGEWIWUCODDN-UHFFFAOYSA-N -1 1 426.929 4.526 50 0 IJAAMM CCc1cc2c(cc1S(=O)(=O)[N-]c1cccc(C(C)=O)c1)[nH]c1c2C(=O)CC(C)(C)C1 ZINC000009685793 569560708 /nfs/dbraw/zinc/56/07/08/569560708.db2.gz WLJAHFSQDQJDLU-UHFFFAOYSA-N -1 1 438.549 4.889 50 0 IJAAMM Cc1cc(C)cc(S(=O)(=O)[N-]c2cccc(-c3ccc(N4CCC(C)CC4)nn3)c2)c1 ZINC000009529535 132320632 /nfs/dbraw/zinc/32/06/32/132320632.db2.gz DYBMESOCDFRKRW-UHFFFAOYSA-N -1 1 436.581 4.798 50 0 IJAAMM CCCN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000012536204 521686204 /nfs/dbraw/zinc/68/62/04/521686204.db2.gz RXRQIYSEWGHCAD-UHFFFAOYSA-N -1 1 438.549 4.548 50 0 IJAAMM Cc1ccc(CC(=O)Nc2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)ccc2C)cc1 ZINC000012792128 524274875 /nfs/dbraw/zinc/27/48/75/524274875.db2.gz TWEIEOIUIHJNLZ-UHFFFAOYSA-N -1 1 428.941 4.939 50 0 IJAAMM C[C@H](NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)c1cccc(Cl)c1 ZINC000012631209 524987559 /nfs/dbraw/zinc/98/75/59/524987559.db2.gz SDKLVWBFOLPGPT-HNNXBMFYSA-N -1 1 446.931 4.700 50 0 IJAAMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCc4sccc4[C@H]3C)c2)cc1 ZINC000012584709 525303751 /nfs/dbraw/zinc/30/37/51/525303751.db2.gz NHTRTMJODPDWHR-MRXNPFEDSA-N -1 1 426.563 4.617 50 0 IJAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)CCC(=O)c3cccs3)c2)cc1C ZINC000012561035 525615902 /nfs/dbraw/zinc/61/59/02/525615902.db2.gz RFRHSAXDNINYRE-UHFFFAOYSA-N -1 1 442.562 4.767 50 0 IJAAMM COc1ccc2nc(-c3ccc(C)c([N-]S(=O)(=O)c4ccc5ccccc5c4)c3)cn2n1 ZINC000012441339 525655037 /nfs/dbraw/zinc/65/50/37/525655037.db2.gz IQIIZKPSJOZPFU-UHFFFAOYSA-N -1 1 444.516 4.667 50 0 IJAAMM O=C(CSc1nc(-c2ccccc2)cc(=O)[n-]1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000017903147 527051952 /nfs/dbraw/zinc/05/19/52/527051952.db2.gz LGIPUEQKVQERLI-UHFFFAOYSA-N -1 1 439.846 4.840 50 0 IJAAMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1)c1ccsc1 ZINC000022628313 527372617 /nfs/dbraw/zinc/37/26/17/527372617.db2.gz DNPOUXGSXNZAPI-UHFFFAOYSA-N -1 1 437.340 4.564 50 0 IJAAMM O=C(Nc1ccccc1N1CCCCC1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000022408264 527425264 /nfs/dbraw/zinc/42/52/64/527425264.db2.gz INZPAXMVCVJOAD-UHFFFAOYSA-N -1 1 435.549 4.730 50 0 IJAAMM O=c1cc(-c2ccccc2)nc(SCc2nc(-c3cccc(Br)c3)no2)[n-]1 ZINC000012414996 527474375 /nfs/dbraw/zinc/47/43/75/527474375.db2.gz SOWPPNUWUPGEBI-UHFFFAOYSA-N -1 1 441.310 4.542 50 0 IJAAMM O=S(=O)([N-]c1ccc(-c2cn3cccnc3n2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000000629757 555514358 /nfs/dbraw/zinc/51/43/58/555514358.db2.gz LZDLFKHEMYBZAI-UHFFFAOYSA-N -1 1 426.501 4.864 50 0 IJAAMM Cc1ccc(C(=O)Nc2ccc(Br)cc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000000832268 555566427 /nfs/dbraw/zinc/56/64/27/555566427.db2.gz OUZXOTSWQVLZPU-UHFFFAOYSA-N -1 1 445.338 4.811 50 0 IJAAMM CCOc1ccccc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000001006542 555601099 /nfs/dbraw/zinc/60/10/99/555601099.db2.gz BKWYLUNTJHBGAG-UHFFFAOYSA-N -1 1 430.913 4.792 50 0 IJAAMM Cc1onc(-c2ccccc2)c1C(=O)[N-]c1nnc(COc2ccc(Cl)cc2)s1 ZINC000001130712 555644201 /nfs/dbraw/zinc/64/42/01/555644201.db2.gz VWQXRTXWFPMFHU-UHFFFAOYSA-N -1 1 426.885 4.986 50 0 aggregator IJAAMM CCC(C)(C)c1ccc(Oc2ccc(NC(=O)CSc3nc(N)cc(=O)[n-]3)cc2)cc1 ZINC000009716108 555658646 /nfs/dbraw/zinc/65/86/46/555658646.db2.gz OAEMPDJGDSCADK-UHFFFAOYSA-N -1 1 438.553 4.563 50 0 IJAAMM CO[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1)c1ccccc1 ZINC000002818860 555829446 /nfs/dbraw/zinc/82/94/46/555829446.db2.gz OHMGHQGVVQXVQZ-NRFANRHFSA-N -1 1 444.940 4.775 50 0 IJAAMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCCSC2CCCCC2)ccc1C ZINC000002884955 555857499 /nfs/dbraw/zinc/85/74/99/555857499.db2.gz FVMYAXSJHMYMIM-UHFFFAOYSA-N -1 1 446.638 4.900 50 0 IJAAMM Cc1[nH]c2ccccc2c1[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C([O-])=C2ON1c1ccccc1 ZINC000013759449 556301883 /nfs/dbraw/zinc/30/18/83/556301883.db2.gz LSSSCLSZTSZTQM-SMIHKQSGSA-N -1 1 441.462 4.667 50 0 IJAAMM CCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4C)C([O-])=C3ON2c2ccccc2)cc1 ZINC000013810767 556312257 /nfs/dbraw/zinc/31/22/57/556312257.db2.gz OPQARVUTIOVVNJ-SDHSZQHLSA-N -1 1 442.515 4.753 50 0 IJAAMM Cc1nc(SCc2ccccc2)[n-]c(=O)c1CCC(=O)N[C@H](C)c1ccccc1Cl ZINC000014109563 556369104 /nfs/dbraw/zinc/36/91/04/556369104.db2.gz ZDTZXVRFTXRXFE-OAHLLOKOSA-N -1 1 441.984 4.834 50 0 IJAAMM CCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(Cl)cc1)C(C(=O)OC(C)C)=C(C)N2 ZINC000013112492 556464840 /nfs/dbraw/zinc/46/48/40/556464840.db2.gz LLZPJPNRLOJOSC-INIZCTEOSA-N -1 1 433.961 4.708 50 0 IJAAMM C[C@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)c1ccco1 ZINC000015135282 556505810 /nfs/dbraw/zinc/50/58/10/556505810.db2.gz VZRUSLUQBLRLON-ZDUSSCGKSA-N -1 1 438.427 4.590 50 0 IJAAMM O=C1C[C@H](c2ccc(OCCc3ccccc3)cc2)c2c(=O)[n-]c(-c3ccccc3)nc2N1 ZINC000013593279 556531289 /nfs/dbraw/zinc/53/12/89/556531289.db2.gz FGMYBOJRKKMEST-JOCHJYFZSA-N -1 1 437.499 4.533 50 0 IJAAMM Cc1cccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCCCc4ccccc4)CC3)cc2)c1 ZINC000015869579 556560329 /nfs/dbraw/zinc/56/03/29/556560329.db2.gz VLOBDIIGMURAIJ-UHFFFAOYSA-N -1 1 448.588 4.576 50 0 IJAAMM O=S(=O)([N-]c1cccc(-c2cn3cccnc3n2)c1)c1ccc(Oc2ccccc2)cc1 ZINC000016474694 556610137 /nfs/dbraw/zinc/61/01/37/556610137.db2.gz VLDYTOQGKZJVJA-UHFFFAOYSA-N -1 1 442.500 4.989 50 0 IJAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)[C@H](C)Oc3ccc(F)cc3)c2)cc1C ZINC000033028422 556708896 /nfs/dbraw/zinc/70/88/96/556708896.db2.gz UDMRZZFRBRBKNU-KRWDZBQOSA-N -1 1 442.512 4.649 50 0 IJAAMM Cc1ccc(CSCC(=O)Nn2c(=O)c3c4c(sc3[n-]c2=S)C[C@@H](C)CC4)cc1 ZINC000019643999 556838983 /nfs/dbraw/zinc/83/89/83/556838983.db2.gz XMTVHTAWQKHBAS-ZDUSSCGKSA-N -1 1 445.635 4.557 50 0 IJAAMM CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000033297865 557073527 /nfs/dbraw/zinc/07/35/27/557073527.db2.gz QLPCSDFFICZAFX-MLPAPPSSSA-N -1 1 445.928 4.956 50 0 IJAAMM CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1 ZINC000033297922 557073886 /nfs/dbraw/zinc/07/38/86/557073886.db2.gz CUBFACOSFCDDKT-FLIBITNWSA-N -1 1 439.537 4.920 50 0 IJAAMM O=C(c1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)N1CCCCCC1 ZINC000000631205 557123158 /nfs/dbraw/zinc/12/31/58/557123158.db2.gz YGEZDQXRCRYNBZ-UHFFFAOYSA-N -1 1 426.460 4.522 50 0 IJAAMM COc1ccc(N2Oc3c(O)n(-c4ccc(C)c(Cl)c4)c(O)c3[C@H]2c2ccccc2)cc1 ZINC000100891987 557198663 /nfs/dbraw/zinc/19/86/63/557198663.db2.gz BDLOFNBNMNAGLG-ZRBLBEILSA-N -1 1 448.906 4.708 50 0 IJAAMM COc1ccc([N-]S(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)cc1Cl ZINC000098073013 557233144 /nfs/dbraw/zinc/23/31/44/557233144.db2.gz GLJVNWIGYSAJJU-UHFFFAOYSA-N -1 1 444.656 4.931 50 0 IJAAMM C[C@@H]1C[C@H](C)CN(C(=O)c2ccc3[n-]cc4c(=O)n(-c5ccc(Cl)cc5)nc-4c3c2)C1 ZINC000101827684 557299563 /nfs/dbraw/zinc/29/95/63/557299563.db2.gz NPXXUBMOPBVKSH-GASCZTMLSA-N -1 1 434.927 4.590 50 0 IJAAMM C[C@@H](CCc1ccccc1)NC(=O)c1ccc2[n-]cc3c(=O)n(-c4ccccc4)nc-3c2c1 ZINC000101828411 557300063 /nfs/dbraw/zinc/30/00/63/557300063.db2.gz CUJYSMOJSUKMFJ-SFHVURJKSA-N -1 1 436.515 4.570 50 0 IJAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NCc3ccco3)c2)cc1Cl ZINC000014226465 557323240 /nfs/dbraw/zinc/32/32/40/557323240.db2.gz WGDPYZCAKREQAN-UHFFFAOYSA-N -1 1 439.320 4.626 50 0 IJAAMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCCc3c[nH]c4ccccc34)c2)c(C)c1 ZINC000003320238 562934207 /nfs/dbraw/zinc/93/42/07/562934207.db2.gz PLWIECACBRRSCT-UHFFFAOYSA-N -1 1 447.560 4.558 50 0 IJAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3nc(C(C)(C)C)cs3)cc2)cc1 ZINC000003302159 568745671 /nfs/dbraw/zinc/74/56/71/568745671.db2.gz CRMJXCJIWVNMAO-UHFFFAOYSA-N -1 1 429.567 4.802 50 0 IJAAMM COc1cccc(-c2nc([O-])c(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)s2)c1 ZINC000003431533 568749048 /nfs/dbraw/zinc/74/90/48/568749048.db2.gz AKLGVRJCXKTGQS-HNNXBMFYSA-N -1 1 442.846 4.785 50 0 IJAAMM CCOc1ccccc1C(=O)NC([N-]c1ccc(C(C)=O)cc1)(C(F)(F)F)C(F)(F)F ZINC000001323668 568780286 /nfs/dbraw/zinc/78/02/86/568780286.db2.gz XRDORXHCXRVLSG-UHFFFAOYSA-N -1 1 448.363 4.951 50 0 IJAAMM CCn1c(CCc2ccc([N-]S(=O)(=O)c3ccc(C(C)=O)cc3)cc2)nc2ccccc21 ZINC000015870619 568851930 /nfs/dbraw/zinc/85/19/30/568851930.db2.gz ZCIKCFFMZBSHRQ-UHFFFAOYSA-N -1 1 447.560 4.845 50 0 IJAAMM CCn1c2ccccc2nc1CCc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000015870611 568851977 /nfs/dbraw/zinc/85/19/77/568851977.db2.gz NWBMRZNFHYHZQZ-UHFFFAOYSA-N -1 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Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(Cl)cc2)ccc1C ZINC000002870776 555849687 /nfs/dbraw/zinc/84/96/87/555849687.db2.gz GVTWGHFBVXHAPK-UHFFFAOYSA-N -1 1 428.941 4.688 50 0 IJAAMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccc(F)cc1 ZINC000002987797 555874270 /nfs/dbraw/zinc/87/42/70/555874270.db2.gz UNUWBXRNIVLWCX-UHFFFAOYSA-N -1 1 438.402 4.898 50 0 IJAAMM Cc1ccc(CN2CCCN(c3cccc([N-]S(=O)(=O)c4ccc(C)cc4)c3)C2=O)cc1 ZINC000034737638 555888531 /nfs/dbraw/zinc/88/85/31/555888531.db2.gz WVZMXPAVCACBBU-UHFFFAOYSA-N -1 1 449.576 4.937 50 0 IJAAMM CCCCSc1nc2c(c(=O)[n-]1)[C@H](c1sccc1C)C(C(=O)OC(C)C)=C(C)N2 ZINC000013117839 556470745 /nfs/dbraw/zinc/47/07/45/556470745.db2.gz WKGDLDJEFKCQGH-OAHLLOKOSA-N -1 1 433.599 4.815 50 0 IJAAMM COC(=O)c1ccc([O-])c(NC(=O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 ZINC000011757506 556651517 /nfs/dbraw/zinc/65/15/17/556651517.db2.gz BJRPPNOJYFZSLY-UHFFFAOYSA-N -1 1 435.520 4.664 50 0 in-vitro IJAAMM C[C@H]1CCc2c(C(=O)Nn3c(=O)c4c([n-]c3=S)sc3c4CCCC3)csc2C1 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CCCCOc1ccccc1[C@@H]1CC(=O)Nc2nc(SCc3ccccc3)[n-]c(=O)c21 ZINC000086056911 568642049 /nfs/dbraw/zinc/64/20/49/568642049.db2.gz GHJVLAIPHMHWLN-SFHVURJKSA-N -1 1 435.549 4.715 50 0 IJAAMM CCOc1cccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4Cl)[n-]c(=O)c32)c1 ZINC000086057422 568642830 /nfs/dbraw/zinc/64/28/30/568642830.db2.gz CAYZDMSKERIMSW-MRXNPFEDSA-N -1 1 441.940 4.588 50 0 IJAAMM Cn1c(CCc2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)nc2ccccc21 ZINC000015870646 568851780 /nfs/dbraw/zinc/85/17/80/568851780.db2.gz PINNGOMYOUIWCB-UHFFFAOYSA-N -1 1 443.931 4.952 50 0 IJAAMM Cn1c2ccccc2nc1CCc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000015870663 568852257 /nfs/dbraw/zinc/85/22/57/568852257.db2.gz DSRMJLCLXMVBQP-UHFFFAOYSA-N -1 1 425.941 4.813 50 0 IJAAMM CC1CCN(c2ccc(-c3ccc([N-]S(=O)(=O)c4ccc(Cl)cc4)cc3)nn2)CC1 ZINC000015882207 568856684 /nfs/dbraw/zinc/85/66/84/568856684.db2.gz GNMKXFFKAGUGOK-UHFFFAOYSA-N -1 1 442.972 4.834 50 0 IJAAMM COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccccc5OC)coc-4c32)cc1 ZINC000524729237 568904014 /nfs/dbraw/zinc/90/40/14/568904014.db2.gz KPFICKFNRDOYJA-QGZVFWFLSA-N -1 1 444.439 4.624 50 0 biogenic IJAAMM Cc1cc(Nc2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc2)nc(N2CCCC2)n1 ZINC000064801849 568961452 /nfs/dbraw/zinc/96/14/52/568961452.db2.gz PQXMOKRWEJTNFS-UHFFFAOYSA-N -1 1 443.960 4.583 50 0 IJAAMM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3ccc(F)cc3F)c2oc1C(=O)N1CCCC1 ZINC000065010452 569088078 /nfs/dbraw/zinc/08/80/78/569088078.db2.gz ZLFUOVFCCWMDNR-UHFFFAOYSA-N -1 1 448.491 4.673 50 0 IJAAMM O=S(=O)([N-]c1ccc(-c2csc(Nc3cccnc3)n2)cc1)c1cccc(F)c1 ZINC000208006531 569184690 /nfs/dbraw/zinc/18/46/90/569184690.db2.gz QBWMCWIFDOZXJJ-UHFFFAOYSA-N -1 1 426.498 4.889 50 0 IJAAMM COC(=O)C[C@@H](c1ccc([O-])c(Cl)c1)c1oc(CSc2ccccc2)cc(=O)c1O ZINC000095478323 569373523 /nfs/dbraw/zinc/37/35/23/569373523.db2.gz HDJPOAXVUQQLIT-INIZCTEOSA-N -1 1 446.908 4.692 50 0 IJAAMM O=C(CCc1nc2ccccc2s1)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000003314633 569445655 /nfs/dbraw/zinc/44/56/55/569445655.db2.gz LLPGBBSPUSIQJV-UHFFFAOYSA-N -1 1 447.541 4.937 50 0 IJAAMM CCOC(=O)c1cccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2ccc(C)cn2)c1 ZINC000067294299 569467871 /nfs/dbraw/zinc/46/78/71/569467871.db2.gz DHUZAPZXOQQNIS-PNHLSOANSA-N -1 1 443.459 4.503 50 0 IJAAMM CN1c2ccc(S(=O)(=O)[N-]c3ccc4oc5c(c4c3)CCCC5)c3cccc(c23)C1=O ZINC000008870291 569480566 /nfs/dbraw/zinc/48/05/66/569480566.db2.gz OSQBMNPANJCQAL-UHFFFAOYSA-N -1 1 432.501 4.856 50 0 IJAAMM COc1cccc(CNCc2c(C)n(Cc3cccc(Cl)c3)c(C)c2C(=O)[O-])c1OC ZINC000008932827 569487682 /nfs/dbraw/zinc/48/76/82/569487682.db2.gz PDFHIAGPCBKQGG-UHFFFAOYSA-N -1 1 442.943 4.812 50 0 IJAAMM COc1ccc([N-]C(NC(=O)c2ccc(C)cc2)(C(F)(F)F)C(F)(F)F)c(OC)c1 ZINC000008951497 569489838 /nfs/dbraw/zinc/48/98/38/569489838.db2.gz RIEVTGKYKOBJST-UHFFFAOYSA-N -1 1 436.352 4.675 50 0 IJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(=O)c2ccccc2)CC3)cc1Cl ZINC000008977506 569492993 /nfs/dbraw/zinc/49/29/93/569492993.db2.gz BNUGEEQCJOQZHE-UHFFFAOYSA-N -1 1 440.952 4.648 50 0 IJAAMM O=C([O-])c1ccc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2cccc(Cl)c2Cl)cc1 ZINC000040266728 569497254 /nfs/dbraw/zinc/49/72/54/569497254.db2.gz GIWGMSXHQQAUMF-SFHVURJKSA-N -1 1 431.279 4.594 50 0 IJAAMM O=C(Nc1ccc(F)c(F)c1F)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000009090464 569501052 /nfs/dbraw/zinc/50/10/52/569501052.db2.gz ROPXNALVDNRCSI-UHFFFAOYSA-N -1 1 440.830 4.810 50 0 IJAAMM O=C(Nc1ccc(F)cc1)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000009096832 569501487 /nfs/dbraw/zinc/50/14/87/569501487.db2.gz XMHFHXOAFFHMJK-UHFFFAOYSA-N -1 1 438.402 4.898 50 0 IJAAMM CCc1cc2c(COC(=O)c3ccc(C)c(NC(=O)c4ccco4)c3)cc(=O)oc2cc1[O-] ZINC000009128577 569505443 /nfs/dbraw/zinc/50/54/43/569505443.db2.gz PECOXXIYVYNZQA-UHFFFAOYSA-N -1 1 447.443 4.572 50 0 IJAAMM Cc1ccc(Cl)cc1NC(=O)Cn1cc(C=C2SC(=O)[N-]C2=O)c2ccccc21 ZINC000009192586 569510790 /nfs/dbraw/zinc/51/07/90/569510790.db2.gz JFVGYJHAEQSPLJ-QGMBQPNBSA-N -1 1 425.897 4.566 50 0 IJAAMM COc1ccccc1-c1cc(=O)c2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc2o1 ZINC000009572646 569547847 /nfs/dbraw/zinc/54/78/47/569547847.db2.gz WTJKEEVYMZUNKT-UHFFFAOYSA-N -1 1 441.892 4.923 50 0 IJAAMM CCC(=O)N1N=C(c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C[C@H]1c1cccs1 ZINC000009668209 569557913 /nfs/dbraw/zinc/55/79/13/569557913.db2.gz DLURJXLFKVHXJO-FQEVSTJZSA-N -1 1 439.562 4.637 50 0 IJAAMM Cc1nc2ccc(NC(=O)c3cccc([N-]S(=O)(=O)c4ccc(C)cc4)c3)cc2s1 ZINC000009714815 569562883 /nfs/dbraw/zinc/56/28/83/569562883.db2.gz BBKPOOBXTWJXMJ-UHFFFAOYSA-N -1 1 437.546 4.966 50 0 IJAAMM Cc1nc2ccc(NC(=O)c3cccc([N-]S(=O)(=O)c4ccc(F)cc4)c3)cc2s1 ZINC000009714767 569562890 /nfs/dbraw/zinc/56/28/90/569562890.db2.gz GCIGOSQYBDOQLE-UHFFFAOYSA-N -1 1 441.509 4.797 50 0 IJAAMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000012909239 523177185 /nfs/dbraw/zinc/17/71/85/523177185.db2.gz WBUMMXZDDMFIPD-UHFFFAOYSA-N -1 1 428.517 4.826 50 0 IJAAMM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1Cl ZINC000021711476 525087757 /nfs/dbraw/zinc/08/77/57/525087757.db2.gz CEGQLOARKRRNHC-UHFFFAOYSA-N -1 1 441.896 4.866 50 0 IJAAMM Cc1ccccc1CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1C ZINC000012817313 525098047 /nfs/dbraw/zinc/09/80/47/525098047.db2.gz WKTFOACKTBJDKO-UHFFFAOYSA-N -1 1 428.941 4.939 50 0 IJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N(C)[C@@H](C)c1ccccc1 ZINC000012911329 525605599 /nfs/dbraw/zinc/60/55/99/525605599.db2.gz OMKIJCFPKBLTLN-KRWDZBQOSA-N -1 1 426.513 4.768 50 0 IJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C(C)(C)C)cc2)c(Br)c1 ZINC000012525934 525609041 /nfs/dbraw/zinc/60/90/41/525609041.db2.gz SMSJTFFQESYNBT-UHFFFAOYSA-N -1 1 425.348 4.543 50 0 IJAAMM O=C1C[C@H](c2cccc(F)c2F)c2c(=O)[n-]c(SCc3ccc(Cl)cc3)nc2N1 ZINC000021784898 527031320 /nfs/dbraw/zinc/03/13/20/527031320.db2.gz XFXKJWJHPOJMSP-CYBMUJFWSA-N -1 1 433.867 4.880 50 0 IJAAMM O=c1cc(-c2ccccc2)nc(SCc2nc(-c3ccc(C(F)(F)F)cc3)no2)[n-]1 ZINC000012415029 527473899 /nfs/dbraw/zinc/47/38/99/527473899.db2.gz LHEQNMZRONDORT-UHFFFAOYSA-N -1 1 430.411 4.798 50 0 aggregator IJAAMM CCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cc2)cc1 ZINC000000675222 555534094 /nfs/dbraw/zinc/53/40/94/555534094.db2.gz PNKRDTSGVHXMLS-UHFFFAOYSA-N -1 1 438.549 4.684 50 0 IJAAMM CCCCCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3ccc(OC)cc3)cc21 ZINC000002480684 555783539 /nfs/dbraw/zinc/78/35/39/555783539.db2.gz VNJBKJNTAJCKOL-UHFFFAOYSA-N -1 1 431.510 4.898 50 0 IJAAMM CC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)c1 ZINC000002869106 555848983 /nfs/dbraw/zinc/84/89/83/555848983.db2.gz MFVMXXKMZWPZGH-UHFFFAOYSA-N -1 1 436.533 4.868 50 0 IJAAMM Cc1cc(=O)[n-]c(SCC(=O)Nc2nc(-c3ccc(C4CCCCC4)cc3)cs2)n1 ZINC000008409947 556167065 /nfs/dbraw/zinc/16/70/65/556167065.db2.gz TXQGNHKVGBKLTJ-UHFFFAOYSA-N -1 1 440.594 4.980 50 0 IJAAMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3nc4ccccc4s3)c2)c1 ZINC000013138310 556485414 /nfs/dbraw/zinc/48/54/14/556485414.db2.gz FTIOZKLITPKFFM-UHFFFAOYSA-N -1 1 437.546 4.966 50 0 IJAAMM O=C1C[C@@H](c2ccc(OCc3ccc(F)cc3)cc2)c2c(=O)[n-]c(-c3ccccc3)nc2N1 ZINC000013607102 556533306 /nfs/dbraw/zinc/53/33/06/556533306.db2.gz CQDCWJCYLWGZSU-NRFANRHFSA-N -1 1 441.462 4.629 50 0 IJAAMM CC(C)CCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000033274500 556558523 /nfs/dbraw/zinc/55/85/23/556558523.db2.gz FYFOEZROJGBZFN-UHFFFAOYSA-N -1 1 442.625 4.979 50 0 IJAAMM Cc1scc(C(=O)Nn2c(=O)c3cc(Cc4ccccc4)sc3[n-]c2=S)c1C ZINC000017095570 556659065 /nfs/dbraw/zinc/65/90/65/556659065.db2.gz LPERHAVPOPMWFB-UHFFFAOYSA-N -1 1 427.576 4.774 50 0 IJAAMM CCOc1cccc2c(C)nc(Nc3nc(CSc4ccc(C)cc4)cc(=O)[n-]3)nc12 ZINC000017879157 556680116 /nfs/dbraw/zinc/68/01/16/556680116.db2.gz LROYKEKWEGCWFD-UHFFFAOYSA-N -1 1 433.537 4.765 50 0 IJAAMM Cc1cccc(C)c1Nc1nnc(SCC(=O)[N-]C(=O)c2ccccc2Cl)s1 ZINC000002661922 556802809 /nfs/dbraw/zinc/80/28/09/556802809.db2.gz JZIRLNVHVJJCSI-UHFFFAOYSA-N -1 1 432.958 4.601 50 0 IJAAMM CCOc1ccc([N-]S(=O)(=O)c2cc(-c3nc(-c4ccccc4)no3)sc2C)cc1 ZINC000064450473 556823950 /nfs/dbraw/zinc/82/39/50/556823950.db2.gz UDCWCBRKQOMCFH-UHFFFAOYSA-N -1 1 441.534 4.973 50 0 IJAAMM O=C(CSCc1ccccc1)Nn1c(=S)[n-]c2sc(-c3ccccc3)cc2c1=O ZINC000019630371 556832336 /nfs/dbraw/zinc/83/23/36/556832336.db2.gz BYURNVOTVVAEKE-UHFFFAOYSA-N -1 1 439.587 4.791 50 0 IJAAMM C[C@H]1CCc2c(sc3[n-]c(=S)n(NC(=O)c4cc5c(s4)CCCCC5)c(=O)c23)C1 ZINC000019643995 556838951 /nfs/dbraw/zinc/83/89/51/556838951.db2.gz ADMXNVRNWAWYFR-NSHDSACASA-N -1 1 445.635 4.960 50 0 IJAAMM CC(=O)Nc1c(C)noc1/C=C\c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC000033170567 556886176 /nfs/dbraw/zinc/88/61/76/556886176.db2.gz RVBSWUVKFRLTGC-QXMHVHEDSA-N -1 1 425.510 4.529 50 0 IJAAMM COc1cccc([C@@H]2C(S(=O)(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2ccc(C)cc2)c1 ZINC000023119238 557007187 /nfs/dbraw/zinc/00/71/87/557007187.db2.gz XOPOWZXCFBLBSS-JOCHJYFZSA-N -1 1 449.528 4.643 50 0 IJAAMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)N(C(=O)C1CC1)C[C@H](C)S2 ZINC000032944004 557022831 /nfs/dbraw/zinc/02/28/31/557022831.db2.gz GYCPABIDKLTSOD-ZDUSSCGKSA-N -1 1 436.986 4.686 50 0 IJAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1Br ZINC000001182352 557120010 /nfs/dbraw/zinc/12/00/10/557120010.db2.gz QAIFANLYCHTHLI-UHFFFAOYSA-N -1 1 444.656 4.931 50 0 IJAAMM CCOC(=O)C1=C(NC(=O)C(c2ccccc2)c2ccccc2)[N-]c2ccccc2N=C1C ZINC000018084172 557235624 /nfs/dbraw/zinc/23/56/24/557235624.db2.gz ICDONXHBWQMWTK-UHFFFAOYSA-N -1 1 439.515 4.928 50 0 IJAAMM CCOc1ccccc1[C@H]1CC(c2c(=O)[nH]c(=S)n(C)c2[O-])=Nc2ccccc2S1 ZINC000101495033 557288778 /nfs/dbraw/zinc/28/87/78/557288778.db2.gz NUBSAZCEQDZMRJ-GOSISDBHSA-N -1 1 439.562 4.905 50 0 IJAAMM Cc1ccc(-n2c([O-])c(Cc3ccccc3)c(=O)nc2SCC(=O)c2ccccc2)cc1 ZINC000102536442 557345441 /nfs/dbraw/zinc/34/54/41/557345441.db2.gz NIGPADMVEPFFIM-UHFFFAOYSA-N -1 1 442.540 4.812 50 0 IJAAMM Cc1c(C(=O)Nc2ccccc2C)sc2[n-]c(-c3cc4ccccc4oc3=O)nc(=O)c12 ZINC000008588216 562950652 /nfs/dbraw/zinc/95/06/52/562950652.db2.gz YVORETNDVVZVEH-UHFFFAOYSA-N -1 1 443.484 4.627 50 0 IJAAMM O=S(=O)([N-]c1ccc(-c2ccc(N3CCCC3)nn2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000008610192 562958087 /nfs/dbraw/zinc/95/80/87/562958087.db2.gz UAOBNOVWUUTOAB-UHFFFAOYSA-N -1 1 448.470 4.563 50 0 IJAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000015433799 568762166 /nfs/dbraw/zinc/76/21/66/568762166.db2.gz OMXJFOJFZZGCRP-UHFFFAOYSA-N -1 1 448.588 4.891 50 0 IJAAMM O=S(=O)([N-]c1cccc(-c2cn3ccsc3n2)c1)c1ccc(Br)cc1 ZINC000002502467 568791798 /nfs/dbraw/zinc/79/17/98/568791798.db2.gz IUKCLSUKAWWQSM-UHFFFAOYSA-N -1 1 434.340 4.626 50 0 IJAAMM CCOc1ccc([N-]S(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CC(C)(C)C4)cc1 ZINC000015733748 568816109 /nfs/dbraw/zinc/81/61/09/568816109.db2.gz IJSOJHMIYDNEGZ-UHFFFAOYSA-N -1 1 426.538 4.831 50 0 IJAAMM Cn1c2ccccc2nc1CCc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000015870554 568851910 /nfs/dbraw/zinc/85/19/10/568851910.db2.gz KVCHCAZCDKKYSL-UHFFFAOYSA-N -1 1 425.941 4.813 50 0 IJAAMM Cn1c(CCc2cccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)c2)nc2ccccc21 ZINC000015870534 568851988 /nfs/dbraw/zinc/85/19/88/568851988.db2.gz WRAXSZJVLFWXKQ-UHFFFAOYSA-N -1 1 443.931 4.952 50 0 IJAAMM CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)c1 ZINC000065115807 569106890 /nfs/dbraw/zinc/10/68/90/569106890.db2.gz VSBDUMGPSVPVET-UHFFFAOYSA-N -1 1 433.917 4.679 50 0 IJAAMM CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c1 ZINC000065115852 569106963 /nfs/dbraw/zinc/10/69/63/569106963.db2.gz ZIKIIIJPXGMWDD-UHFFFAOYSA-N -1 1 437.880 4.510 50 0 IJAAMM CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1 ZINC000065116337 569107320 /nfs/dbraw/zinc/10/73/20/569107320.db2.gz HDYZLJSZPGNTAU-UHFFFAOYSA-N -1 1 427.526 4.588 50 0 IJAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3ccccc3OC)CC(=O)O4)c2=O)cc1 ZINC000079191165 569328089 /nfs/dbraw/zinc/32/80/89/569328089.db2.gz WCMVYNKTKQQHLV-KRWDZBQOSA-N -1 1 444.439 4.624 50 0 biogenic IJAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2ccccc2OC)cc1 ZINC000079191165 569328091 /nfs/dbraw/zinc/32/80/91/569328091.db2.gz WCMVYNKTKQQHLV-KRWDZBQOSA-N -1 1 444.439 4.624 50 0 biogenic IJAAMM O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000095393817 569363551 /nfs/dbraw/zinc/36/35/51/569363551.db2.gz IJEPIIMERPHFHW-IBGZPJMESA-N -1 1 428.410 4.808 50 0 IJAAMM COc1cc(OC)c([C@H]2SC(C)=Nc3c2c(=O)[n-]n3[C@H]2CCOC(C)(C)C2)cc1OC ZINC000095475785 569372884 /nfs/dbraw/zinc/37/28/84/569372884.db2.gz ONKNYEDOFQMTNP-ORAYPTAESA-N -1 1 447.557 4.631 50 0 IJAAMM COC(=O)C[C@H](c1ccc([O-])c(Cl)c1)c1oc(CSc2ccccc2)cc(=O)c1O ZINC000095478324 569373452 /nfs/dbraw/zinc/37/34/52/569373452.db2.gz HDJPOAXVUQQLIT-MRXNPFEDSA-N -1 1 446.908 4.692 50 0 IJAAMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(Cc3ccccc3F)C3CC3)c2)cc1 ZINC000008825691 569477427 /nfs/dbraw/zinc/47/74/27/569477427.db2.gz YVTWEHYLTGOWAY-UHFFFAOYSA-N -1 1 438.524 4.740 50 0 IJAAMM O=C1CCc2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc2N1Cc1ccccc1 ZINC000008840643 569478341 /nfs/dbraw/zinc/47/83/41/569478341.db2.gz VFNJIOHOBWPWSY-UHFFFAOYSA-N -1 1 426.925 4.620 50 0 IJAAMM Cc1cc2oc3c(c2cc1[N-]S(=O)(=O)c1ccc(Br)cc1)C(=O)CCC3 ZINC000008870300 569480554 /nfs/dbraw/zinc/48/05/54/569480554.db2.gz AMXZEZLNZVOFIS-UHFFFAOYSA-N -1 1 434.311 4.824 50 0 IJAAMM COc1ccc(OC)c(CNCc2c(C)n(Cc3cccc(Cl)c3)c(C)c2C(=O)[O-])c1 ZINC000008932828 569487712 /nfs/dbraw/zinc/48/77/12/569487712.db2.gz MDFIEXMMLSMIBD-UHFFFAOYSA-N -1 1 442.943 4.812 50 0 IJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)c2ccccc2O3)cc1Cl ZINC000008961068 569490864 /nfs/dbraw/zinc/49/08/64/569490864.db2.gz WNTROCMBPDBUEM-UHFFFAOYSA-N -1 1 428.897 4.832 50 0 IJAAMM CN1c2ccc([N-]S(=O)(=O)c3ccc(-c4ccccc4)cc3)cc2OCC(C)(C)C1=O ZINC000009165923 569508867 /nfs/dbraw/zinc/50/88/67/569508867.db2.gz GLWPCSNEPDZEEB-UHFFFAOYSA-N -1 1 436.533 4.536 50 0 IJAAMM O=C1C[C@@H](c2ccc(OCc3ccccc3F)cc2)c2c(=O)[n-]c(-c3ccccc3)nc2N1 ZINC000009410020 569531217 /nfs/dbraw/zinc/53/12/17/569531217.db2.gz QCBRPYZTAPSBDJ-FQEVSTJZSA-N -1 1 441.462 4.629 50 0 IJAAMM COc1ccccc1-c1nnc(SCC(=O)c2ccc([O-])cc2O)n1-c1ccc(C)cc1 ZINC000009643210 569555928 /nfs/dbraw/zinc/55/59/28/569555928.db2.gz HXBPSOFUBGYRDM-UHFFFAOYSA-N -1 1 447.516 4.638 50 0 IJAAMM O=C(Nc1ccc(F)cc1)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000009646126 569556225 /nfs/dbraw/zinc/55/62/25/569556225.db2.gz XVPUKLZLUHXOIM-UHFFFAOYSA-N -1 1 438.402 4.898 50 0 IJAAMM CCc1cc2c(cc1S(=O)(=O)[N-]c1cccc(Br)c1)[nH]c1c2C(=O)CCC1 ZINC000009685968 569560720 /nfs/dbraw/zinc/56/07/20/569560720.db2.gz BXORTPQJTXIFQR-UHFFFAOYSA-N -1 1 447.354 4.813 50 0 IJAAMM CCCc1ccc(-c2nc(NC(=O)CCc3c(C)nc(SC)[n-]c3=O)sc2C)cc1 ZINC000010214426 569579132 /nfs/dbraw/zinc/57/91/32/569579132.db2.gz KQWGKUKPDYLADV-UHFFFAOYSA-N -1 1 442.610 4.756 50 0 IJAAMM CC(C)Oc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccc(F)cc4)[n-]c(=O)c32)cc1 ZINC000021784751 519781655 /nfs/dbraw/zinc/78/16/55/519781655.db2.gz CPBSOGQGZDTKPA-SFHVURJKSA-N -1 1 439.512 4.875 50 0 IJAAMM CCCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(Cl)cc1)C(C(=O)OCC)=C(C)N2 ZINC000012600261 520976047 /nfs/dbraw/zinc/97/60/47/520976047.db2.gz FGXDBYYURCRTOU-INIZCTEOSA-N -1 1 433.961 4.710 50 0 IJAAMM CCC(=O)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@H]1c1ccccc1C ZINC000035684000 521166270 /nfs/dbraw/zinc/16/62/70/521166270.db2.gz XNVRTYLHENLZDL-DEOSSOPVSA-N -1 1 447.560 4.884 50 0 IJAAMM CCc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(N(CC)CC)cc3C)c(C)s2)no1 ZINC000035539331 522143217 /nfs/dbraw/zinc/14/32/17/522143217.db2.gz GXXLFIANPSUWBT-UHFFFAOYSA-N -1 1 434.587 4.624 50 0 IJAAMM CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000012508229 523448073 /nfs/dbraw/zinc/44/80/73/523448073.db2.gz JNRNAHISCXWDRI-FQEVSTJZSA-N -1 1 426.563 4.699 50 0 IJAAMM CCc1cc2c(cc1S(=O)(=O)[N-]c1ccc(OC)c(Cl)c1)[nH]c1c2C(=O)CCC1 ZINC000020990536 523845999 /nfs/dbraw/zinc/84/59/99/523845999.db2.gz WQWJYRKCUSGRGZ-UHFFFAOYSA-N -1 1 432.929 4.712 50 0 IJAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCCSCc2cccs2)cc1 ZINC000012507953 525271384 /nfs/dbraw/zinc/27/13/84/525271384.db2.gz VJLZGAFQHGDSHK-UHFFFAOYSA-N -1 1 446.619 4.521 50 0 IJAAMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCc4sccc4[C@@H]3C)cc2)ccc1F ZINC000012788415 525419668 /nfs/dbraw/zinc/41/96/68/525419668.db2.gz MVDNHDZSHLQQRZ-HNNXBMFYSA-N -1 1 444.553 4.756 50 0 IJAAMM Cc1nc(SCc2ccccc2)[n-]c(=O)c1CCC(=O)Nc1ccc(OC(F)F)cc1 ZINC000012825409 527021342 /nfs/dbraw/zinc/02/13/42/527021342.db2.gz SXCRTQNBQNIQHG-UHFFFAOYSA-N -1 1 445.491 4.543 50 0 IJAAMM O=C1C[C@@H](c2cc(F)cc(F)c2)c2c(=O)[n-]c(SCc3ccc(Cl)cc3)nc2N1 ZINC000021784845 527023271 /nfs/dbraw/zinc/02/32/71/527023271.db2.gz HGLZPIHOIFZBIG-HNNXBMFYSA-N -1 1 433.867 4.880 50 0 IJAAMM O=C1C[C@H](c2cccc(F)c2F)c2c(=O)[n-]c(SCc3ccccc3Cl)nc2N1 ZINC000020464043 527031248 /nfs/dbraw/zinc/03/12/48/527031248.db2.gz QTBXEUCUVXSJFQ-GFCCVEGCSA-N -1 1 433.867 4.880 50 0 IJAAMM O=C1C[C@H](c2ccccc2Cl)c2c(=O)[n-]c(SCc3ccccc3Cl)nc2N1 ZINC000012375578 527032894 /nfs/dbraw/zinc/03/28/94/527032894.db2.gz PFBJPPZPGMVHOI-CYBMUJFWSA-N -1 1 432.332 4.843 50 0 IJAAMM CC(C)c1cc(C(C)C)c(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)c(C(C)C)c1 ZINC000000755081 555553852 /nfs/dbraw/zinc/55/38/52/555553852.db2.gz PKQJLAFKFGNPJH-UHFFFAOYSA-N -1 1 438.615 4.505 50 0 IJAAMM O=C(Nc1ccc(Br)cc1)c1cccc(S(=O)(=O)[N-]c2cccc(F)c2)c1 ZINC000000887966 555579324 /nfs/dbraw/zinc/57/93/24/555579324.db2.gz NYXJYTXVNHEZAO-UHFFFAOYSA-N -1 1 449.301 4.641 50 0 IJAAMM COc1cc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c([O-])c2)cc(OC)c1OC ZINC000001208782 555681621 /nfs/dbraw/zinc/68/16/21/555681621.db2.gz IHGMCIDOEAJYKW-UHFFFAOYSA-N -1 1 436.489 4.947 50 0 IJAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccco4)c3[C@@H]2c2ccc(OC)cc2)cc1 ZINC000009679508 556305774 /nfs/dbraw/zinc/30/57/74/556305774.db2.gz DDOYTLHGRQOAON-QHCPKHFHSA-N -1 1 443.459 4.605 50 0 IJAAMM Cc1nc(SCc2ccccc2)[n-]c(=O)c1CCC(=O)N[C@@H](C)c1ccccc1Cl ZINC000014109566 556369083 /nfs/dbraw/zinc/36/90/83/556369083.db2.gz ZDTZXVRFTXRXFE-HNNXBMFYSA-N -1 1 441.984 4.834 50 0 IJAAMM O=C(NC1CCCC1)c1cc(NC2CCCCC2)cc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000014542915 556426450 /nfs/dbraw/zinc/42/64/50/556426450.db2.gz KPMSVCPRYUQBLV-UHFFFAOYSA-N -1 1 441.597 4.904 50 0 IJAAMM Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)[n-]c2SCC(=O)c2ccncc2)cc1 ZINC000016847776 556647446 /nfs/dbraw/zinc/64/74/46/556647446.db2.gz DATWWGNWDFKDLQ-UHFFFAOYSA-N -1 1 449.557 4.588 50 0 IJAAMM CCC(=O)Nc1nc2c(cc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cc2C)s1 ZINC000033007714 556656511 /nfs/dbraw/zinc/65/65/11/556656511.db2.gz KLYDFAQDNNSFMM-UHFFFAOYSA-N -1 1 429.567 4.633 50 0 IJAAMM O=C(Nc1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1)C1(c2ccc(F)cc2)CCC1 ZINC000032929450 556671412 /nfs/dbraw/zinc/67/14/12/556671412.db2.gz MQWNSJJXJWTAMK-UHFFFAOYSA-N -1 1 442.487 4.826 50 0 IJAAMM COc1ccc(CCc2nc(-c3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3)no2)cc1 ZINC000033122852 556863602 /nfs/dbraw/zinc/86/36/02/556863602.db2.gz AQINAQOXFKEDQH-UHFFFAOYSA-N -1 1 449.532 4.640 50 0 IJAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4ccc(OC)cc4s3)cc2)cc1 ZINC000033169186 556881527 /nfs/dbraw/zinc/88/15/27/556881527.db2.gz KKMRGRPECGSHKG-UHFFFAOYSA-N -1 1 426.519 4.781 50 0 IJAAMM COc1ccc(Cl)cc1NC(=S)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000020258824 557004128 /nfs/dbraw/zinc/00/41/28/557004128.db2.gz XMLCQDDVPTUENH-UHFFFAOYSA-N -1 1 447.969 4.958 50 0 IJAAMM CCCc1cc(=O)[n-]c(SCc2csc(N(C(C)=O)c3ccccc3OC)n2)n1 ZINC000011443270 557148091 /nfs/dbraw/zinc/14/80/91/557148091.db2.gz GYEBIORKXLMTNA-UHFFFAOYSA-N -1 1 430.555 4.577 50 0 IJAAMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3cc(-c4ccco4)on3)ccc2C)c1 ZINC000025367670 557205859 /nfs/dbraw/zinc/20/58/59/557205859.db2.gz PGQAYNCJBCDUKP-UHFFFAOYSA-N -1 1 437.477 4.605 50 0 IJAAMM COc1cc(OC)c(NC(=O)CCn2c(=S)[n-]nc2-c2cccc(C)c2)cc1Cl ZINC000011602165 557207631 /nfs/dbraw/zinc/20/76/31/557207631.db2.gz TVFCZZLDEVRCIO-UHFFFAOYSA-N -1 1 432.933 4.616 50 0 IJAAMM CCOc1ccccc1[C@@H]1CC(c2c(=O)[nH]c(=S)n(C)c2[O-])=Nc2ccccc2S1 ZINC000101495030 557288745 /nfs/dbraw/zinc/28/87/45/557288745.db2.gz NUBSAZCEQDZMRJ-SFHVURJKSA-N -1 1 439.562 4.905 50 0 IJAAMM O=S(=O)([N-]c1ccc(F)c(Cl)c1)c1ccc(-c2cc(C(F)(F)F)n[nH]2)s1 ZINC000085664764 568833852 /nfs/dbraw/zinc/83/38/52/568833852.db2.gz GBPWFEKGISKSDI-UHFFFAOYSA-N -1 1 425.816 4.750 50 0 IJAAMM CCCC(=O)Nc1nc2cc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)ccc2s1 ZINC000015870393 568851646 /nfs/dbraw/zinc/85/16/46/568851646.db2.gz OBIIIPIOSQZDBX-UHFFFAOYSA-N -1 1 427.910 4.628 50 0 IJAAMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)NC2CCCCC2)cc1Cl ZINC000064862173 568973909 /nfs/dbraw/zinc/97/39/09/568973909.db2.gz YARYPTZHSLWOAX-UHFFFAOYSA-N -1 1 447.988 4.854 50 0 IJAAMM CC(=O)N1CC2=C(C1=O)[C@@H](c1ccc([O-])c(Cl)c1)c1cn(CC(C)C)c3cccc(c13)N2 ZINC000524731542 569126575 /nfs/dbraw/zinc/12/65/75/569126575.db2.gz BGHYNASSEVLZIS-QFIPXVFZSA-N -1 1 449.938 4.857 50 0 biogenic IJAAMM COc1cccc(-c2nc(CSc3nc(-c4ccncc4)cc(=O)[n-]3)c(C)o2)c1OC ZINC000016840808 569163279 /nfs/dbraw/zinc/16/32/79/569163279.db2.gz PYJGTEWXHMLBPA-UHFFFAOYSA-N -1 1 436.493 4.517 50 0 IJAAMM Cc1cc(N2CCCC2)nc(Nc2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc2)n1 ZINC000017013956 569170868 /nfs/dbraw/zinc/17/08/68/569170868.db2.gz OJPDDAWGIYQLHJ-UHFFFAOYSA-N -1 1 443.960 4.583 50 0 IJAAMM O=C([O-])C[C@H]1c2cccnc2Oc2cc(O)c3c(=O)c(-c4ccc(Cl)cc4)coc3c21 ZINC000253400284 569264784 /nfs/dbraw/zinc/26/47/84/569264784.db2.gz DULZSECCWCBPIE-AWEZNQCLSA-N -1 1 435.819 4.926 50 0 biogenic IJAAMM Cc1cc(Oc2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)cc2)n[nH]1 ZINC000079103321 569325741 /nfs/dbraw/zinc/32/57/41/569325741.db2.gz DUHJXCDBFXHKGS-UHFFFAOYSA-N -1 1 448.504 4.564 50 0 IJAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3cccc(OC)c3)CC(=O)O4)c2=O)cc1 ZINC000079190685 569327916 /nfs/dbraw/zinc/32/79/16/569327916.db2.gz SEMOJFXFPCQXJH-GOSISDBHSA-N -1 1 444.439 4.624 50 0 biogenic IJAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2cccc(OC)c2)cc1 ZINC000079190685 569327917 /nfs/dbraw/zinc/32/79/17/569327917.db2.gz SEMOJFXFPCQXJH-GOSISDBHSA-N -1 1 444.439 4.624 50 0 biogenic IJAAMM COc1ccc([C@H]2SC(C)=Nc3c2c(=O)[n-]n3[C@H]2CCOC(C)(C)C2)c(OC)c1OC ZINC000095475027 569372736 /nfs/dbraw/zinc/37/27/36/569372736.db2.gz OJAXOPYCUPNWGW-ORAYPTAESA-N -1 1 447.557 4.631 50 0 IJAAMM COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccccc5)oc-4c32)cc1OC ZINC000096116128 569383599 /nfs/dbraw/zinc/38/35/99/569383599.db2.gz AUJSPHVWNGIRFQ-INIZCTEOSA-N -1 1 444.439 4.624 50 0 biogenic IJAAMM CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2cccc(Br)c2)S1 ZINC000096117260 569384163 /nfs/dbraw/zinc/38/41/63/569384163.db2.gz FOEGDMFUOOPDHB-ZBFHGGJFSA-N -1 1 436.375 4.955 50 0 IJAAMM O=C(NC1CCCCCC1)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000003212000 569441743 /nfs/dbraw/zinc/44/17/43/569441743.db2.gz WBWFVVVIVAFVBN-UHFFFAOYSA-N -1 1 440.487 4.959 50 0 IJAAMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N(Cc3ccccc3)C3CC3)cc2)c1C ZINC000031069651 569453142 /nfs/dbraw/zinc/45/31/42/569453142.db2.gz MIYPLWMIJQRBTP-UHFFFAOYSA-N -1 1 434.561 4.909 50 0 IJAAMM COc1ccccc1[C@@H](C)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000032461395 569461810 /nfs/dbraw/zinc/46/18/10/569461810.db2.gz YEEKFAHPISGUMY-GOSISDBHSA-N -1 1 438.549 4.638 50 0 IJAAMM O=C1CCc2cc([N-]S(=O)(=O)c3cccc(Cl)c3)ccc2N1Cc1ccccc1 ZINC000008840632 569478327 /nfs/dbraw/zinc/47/83/27/569478327.db2.gz ZYPOYURNOKZUFV-UHFFFAOYSA-N -1 1 426.925 4.620 50 0 IJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1CCC[C@@H]1c1cccs1 ZINC000040161014 569495159 /nfs/dbraw/zinc/49/51/59/569495159.db2.gz GWQVMHACCMSAFO-HXUWFJFHSA-N -1 1 444.553 4.974 50 0 IJAAMM CC(C)CN1c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2OCC(C)(C)C1=O ZINC000009168134 569509087 /nfs/dbraw/zinc/50/90/87/569509087.db2.gz AOPAXOIHKKHABR-UHFFFAOYSA-N -1 1 436.961 4.548 50 0 IJAAMM Cc1ccc(COc2ccc([C@@H]3CC(=O)Nc4nc(-c5ccccc5)[n-]c(=O)c43)cc2)cc1 ZINC000009409468 569531077 /nfs/dbraw/zinc/53/10/77/569531077.db2.gz WDAJZNZXMXNESY-QFIPXVFZSA-N -1 1 437.499 4.798 50 0 IJAAMM Cc1nnc(SC(=Cc2ccc(OCc3ccccc3)c(Br)c2)C(=O)[O-])[nH]1 ZINC000009451703 569536434 /nfs/dbraw/zinc/53/64/34/569536434.db2.gz AKCSLWWVWCYHRJ-YVLHZVERSA-N -1 1 446.326 4.672 50 0 IJAAMM Cc1nc(SC(=Cc2ccc(OCc3ccccc3)c(Br)c2)C(=O)[O-])n[nH]1 ZINC000009451703 569536435 /nfs/dbraw/zinc/53/64/35/569536435.db2.gz AKCSLWWVWCYHRJ-YVLHZVERSA-N -1 1 446.326 4.672 50 0 IJAAMM O=C(Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)c1ccc(F)cc1 ZINC000009509673 569542653 /nfs/dbraw/zinc/54/26/53/569542653.db2.gz ZTQBIMBHZQRNPE-UHFFFAOYSA-N -1 1 438.402 4.898 50 0 IJAAMM Cc1cc(C)cc(S(=O)(=O)[N-]c2cccc(-c3ccc(N4CCCCCC4)nn3)c2)c1 ZINC000009529545 569544938 /nfs/dbraw/zinc/54/49/38/569544938.db2.gz NSRRXIDHLWHAIE-UHFFFAOYSA-N -1 1 436.581 4.942 50 0 IJAAMM Cc1cc(OCCCSc2nc(-c3cccs3)nc3cc(=O)[n-]n32)ccc1Cl ZINC000009641406 569555659 /nfs/dbraw/zinc/55/56/59/569555659.db2.gz QQOZGYNHAJFZQC-UHFFFAOYSA-N -1 1 432.958 4.669 50 0 IJAAMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1)NCc1ccccc1F ZINC000009670141 569558217 /nfs/dbraw/zinc/55/82/17/569558217.db2.gz ARKJDVKXRFPXAA-UHFFFAOYSA-N -1 1 448.519 4.639 50 0 IJAAMM COc1ccc(Cl)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000009738378 569564901 /nfs/dbraw/zinc/56/49/01/569564901.db2.gz FKHAVZPFXZKQRI-UHFFFAOYSA-N -1 1 434.876 4.541 50 0 IJAAMM Cc1cc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)c(C)n1C1CC1 ZINC000009915520 569573406 /nfs/dbraw/zinc/57/34/06/569573406.db2.gz SNJTZGOQOXHSLE-UHFFFAOYSA-N -1 1 445.491 4.771 50 0 IJAAMM CC(=O)N1CC2=C(C1=O)[C@H](c1ccc([O-])c(Cl)c1)c1cn(C(C)C)c3cccc(c13)N2 ZINC000263586144 519499738 /nfs/dbraw/zinc/49/97/38/519499738.db2.gz QPJJHOLZIAKBSD-OAQYLSRUSA-N -1 1 435.911 4.781 50 0 biogenic IJAAMM CCOC(=O)c1c2c(sc1-n1c(C)cc(C=C3SC(=O)[N-]C3=O)c1C)CCCC2 ZINC000012436679 521415294 /nfs/dbraw/zinc/41/52/94/521415294.db2.gz MMUIQPBEWATPHE-MHWRWJLKSA-N -1 1 430.551 4.535 50 0 IJAAMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cc(C(C)(C)C)ccc2OC)cc1 ZINC000012792443 523177467 /nfs/dbraw/zinc/17/74/67/523177467.db2.gz DKGNCTPDZPWGKF-UHFFFAOYSA-N -1 1 440.569 4.951 50 0 IJAAMM Cc1cccc(N2C(=O)CS[C@@H]2c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)c1 ZINC000035910492 524532749 /nfs/dbraw/zinc/53/27/49/524532749.db2.gz QCCKJEHQXXTXHC-JOCHJYFZSA-N -1 1 442.537 4.714 50 0 IJAAMM O=C1CCc2cc(S(=O)(=O)[N-]c3ccc(Cc4nc5ccccc5s4)cc3)ccc2N1 ZINC000012561195 526998974 /nfs/dbraw/zinc/99/89/74/526998974.db2.gz VJHPSNOECDVWER-UHFFFAOYSA-N -1 1 449.557 4.573 50 0 IJAAMM O=S(=O)([N-]c1cccc([C@@H]2OC[C@@H](COc3ccc(Cl)cc3)O2)c1)c1ccccc1 ZINC000012376841 527253369 /nfs/dbraw/zinc/25/33/69/527253369.db2.gz UQDDVJZSYBZOPD-IFMALSPDSA-N -1 1 445.924 4.634 50 0 IJAAMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccccc3Cl)ccc2C)c(C)c1 ZINC000002884681 555857540 /nfs/dbraw/zinc/85/75/40/555857540.db2.gz HSJGBIOZLGBIAS-UHFFFAOYSA-N -1 1 442.968 4.996 50 0 IJAAMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCSC(C)(C)C)ccc2C)c(C)c1 ZINC000002891138 555859903 /nfs/dbraw/zinc/85/99/03/555859903.db2.gz VVGCSTKABBBXOG-UHFFFAOYSA-N -1 1 434.627 4.674 50 0 IJAAMM Cc1ccc(COc2ccc([C@H]3CC(=O)Nc4nc(-c5ccccc5)[n-]c(=O)c43)cc2)cc1 ZINC000013593569 556531266 /nfs/dbraw/zinc/53/12/66/556531266.db2.gz WDAJZNZXMXNESY-JOCHJYFZSA-N -1 1 437.499 4.798 50 0 IJAAMM O=S(=O)([N-]c1cccc(-c2cn3cccnc3n2)c1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000016447916 556608234 /nfs/dbraw/zinc/60/82/34/556608234.db2.gz PISKVMZCFKMDOM-UHFFFAOYSA-N -1 1 438.512 4.768 50 0 IJAAMM C[C@@H]1CCc2c(sc3[n-]c(=S)n(NC(=O)c4csc5ccccc45)c(=O)c32)C1 ZINC000017095566 556659071 /nfs/dbraw/zinc/65/90/71/556659071.db2.gz ORGZJJTYHBRPEZ-SNVBAGLBSA-N -1 1 427.576 4.844 50 0 IJAAMM COc1cc(C=C(Sc2nnc(C)[nH]2)C(=O)[O-])ccc1OCc1ccccc1Cl ZINC000013512036 556667555 /nfs/dbraw/zinc/66/75/55/556667555.db2.gz PSTKUBVASLWVKF-ZDLGFXPLSA-N -1 1 431.901 4.572 50 0 IJAAMM COc1cc(C=C(Sc2n[nH]c(C)n2)C(=O)[O-])ccc1OCc1ccccc1Cl ZINC000013512036 556667558 /nfs/dbraw/zinc/66/75/58/556667558.db2.gz PSTKUBVASLWVKF-ZDLGFXPLSA-N -1 1 431.901 4.572 50 0 IJAAMM CC(=O)N1C(=S)[N-]C(=O)C1=Cc1cc2cccc(C)c2nc1Sc1ccc(C)cc1 ZINC000033157321 556878439 /nfs/dbraw/zinc/87/84/39/556878439.db2.gz QZGBNIHVCLOZAV-UNOMPAQXSA-N -1 1 433.558 4.607 50 0 IJAAMM CCc1ccccc1[N-]S(=O)(=O)c1cc(/C=C\c2onc(C)c2NC(C)=O)ccc1C ZINC000033170553 556886133 /nfs/dbraw/zinc/88/61/33/556886133.db2.gz CAKGQLYPIAVSLM-SEYXRHQNSA-N -1 1 439.537 4.783 50 0 IJAAMM CC(=O)Nc1c(C)noc1/C=C\c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1 ZINC000033170551 556886152 /nfs/dbraw/zinc/88/61/52/556886152.db2.gz PNLDKFDHMAHJQJ-QXMHVHEDSA-N -1 1 439.537 4.838 50 0 IJAAMM CCc1cccc([N-]S(=O)(=O)c2cc(/C=C\c3onc(C)c3NC(C)=O)ccc2C)c1 ZINC000033170589 556886166 /nfs/dbraw/zinc/88/61/66/556886166.db2.gz PYVFYYOYGAAQEI-QXMHVHEDSA-N -1 1 439.537 4.783 50 0 IJAAMM CSc1ccccc1NC(=O)Cc1cc(=O)[n-]c(SCc2cccc(Cl)c2)n1 ZINC000023138307 557021398 /nfs/dbraw/zinc/02/13/98/557021398.db2.gz JWVAZOWUMJYDAH-UHFFFAOYSA-N -1 1 431.970 4.619 50 0 IJAAMM COc1ccc([N-]S(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)sc2C)cc1OC ZINC000033299226 557075648 /nfs/dbraw/zinc/07/56/48/557075648.db2.gz DNKSUDBOPVMGIK-UHFFFAOYSA-N -1 1 448.444 4.548 50 0 IJAAMM Cc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000000660548 557130838 /nfs/dbraw/zinc/13/08/38/557130838.db2.gz JZNQXSOTMAHFCP-UHFFFAOYSA-N -1 1 446.528 4.967 50 0 IJAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cnc4ccccc4c3)cc2)cc1 ZINC000025530683 557212907 /nfs/dbraw/zinc/21/29/07/557212907.db2.gz HOXQYAVHEPXXPE-UHFFFAOYSA-N -1 1 447.516 4.687 50 0 IJAAMM Cc1ccc(C)c([C@@H](c2ccccc2)N2CCN(C(=O)c3ccccc3C(=O)[O-])CC2)c1 ZINC000072265273 557250488 /nfs/dbraw/zinc/25/04/88/557250488.db2.gz USVVOJOLVWMFOF-RUZDIDTESA-N -1 1 428.532 4.549 50 0 IJAAMM Cc1ccc(-n2nc3c4cc(C(=O)N[C@@H](C)c5ccc(F)cc5)ccc4[n-]cc-3c2=O)cc1 ZINC000101282039 557267135 /nfs/dbraw/zinc/26/71/35/557267135.db2.gz MHKUXULDANXEIX-INIZCTEOSA-N -1 1 440.478 4.757 50 0 IJAAMM Cc1ccc(CNC(=O)c2ccc3[n-]cc4c(=O)n(-c5ccc(C)c(C)c5)nc-4c3c2)cc1 ZINC000101282118 557267145 /nfs/dbraw/zinc/26/71/45/557267145.db2.gz BLIXUWKUMOMDJS-UHFFFAOYSA-N -1 1 436.515 4.674 50 0 IJAAMM C[C@@H](NC(=O)c1ccc2[n-]cc3c(=O)n(-c4ccc(Cl)cc4)nc-3c2c1)c1ccccc1 ZINC000101282166 557267167 /nfs/dbraw/zinc/26/71/67/557267167.db2.gz HBULTBMPNWNHTN-OAHLLOKOSA-N -1 1 442.906 4.963 50 0 IJAAMM Cc1nc(COc2ccc(C)cc2)sc1C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000018391540 557512269 /nfs/dbraw/zinc/51/22/69/557512269.db2.gz SIHFNSIQPLKLAM-UHFFFAOYSA-N -1 1 437.473 4.508 50 0 IJAAMM CCCOc1ccc([C@@H]2CC(=O)Nc3nc(SCc4cccc(C)c4)[n-]c(=O)c32)cc1 ZINC000086057100 568642542 /nfs/dbraw/zinc/64/25/42/568642542.db2.gz VWIAJDFLWKBNOK-IBGZPJMESA-N -1 1 435.549 4.634 50 0 IJAAMM CCOc1cccc([C@H]2CC(=O)Nc3nc(SCc4ccc(Cl)cc4)[n-]c(=O)c32)c1 ZINC000086057600 568642671 /nfs/dbraw/zinc/64/26/71/568642671.db2.gz XHSNGCHBGJIGJK-QGZVFWFLSA-N -1 1 441.940 4.588 50 0 IJAAMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccccc3)c2)cc1 ZINC000001152455 568664347 /nfs/dbraw/zinc/66/43/47/568664347.db2.gz YPXHYBFTSBHEBP-UHFFFAOYSA-N -1 1 428.897 4.596 50 0 IJAAMM CC(C)CCn1c([O-])c(C(=O)Nc2cccc(Br)c2)c(=O)c2ccccc21 ZINC000001251664 568775122 /nfs/dbraw/zinc/77/51/22/568775122.db2.gz QAKKKJUGXSAXCS-UHFFFAOYSA-N -1 1 429.314 4.768 50 0 IJAAMM CCc1cc2c(cc1S(=O)(=O)[N-]c1ccc(OC)cc1)[nH]c1c2C(=O)CC(C)(C)C1 ZINC000015733826 568816114 /nfs/dbraw/zinc/81/61/14/568816114.db2.gz AWYYSZJBPMPJDC-UHFFFAOYSA-N -1 1 426.538 4.695 50 0 IJAAMM O=c1[n-]c(Sc2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)nc2c1CCCC2 ZINC000006143468 568845696 /nfs/dbraw/zinc/84/56/96/568845696.db2.gz XQQCXYYNGFNALC-UHFFFAOYSA-N -1 1 435.936 4.962 50 0 IJAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CC4)o3)s2)c(Br)c1 ZINC000064920247 568985458 /nfs/dbraw/zinc/98/54/58/568985458.db2.gz PPXPMIYOZOTFOI-UHFFFAOYSA-N -1 1 440.344 4.547 50 0 IJAAMM CCOc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2nc(-c3ccccc3)cs2)cc1 ZINC000014251777 569158319 /nfs/dbraw/zinc/15/83/19/569158319.db2.gz XKAYBQRYBSSTFB-UHFFFAOYSA-N -1 1 437.550 4.769 50 0 IJAAMM O=C(c1ccco1)N1CCCc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cc21 ZINC000017169614 569175308 /nfs/dbraw/zinc/17/53/08/569175308.db2.gz VYNFPOVDLROEEV-UHFFFAOYSA-N -1 1 436.533 4.552 50 0 IJAAMM COc1ccc(-c2cnc(N)nc2-c2ccc(OCc3ccccc3F)cc2[O-])cc1OC ZINC000002337032 569274888 /nfs/dbraw/zinc/27/48/88/569274888.db2.gz SJAGYUWZVSPGKJ-UHFFFAOYSA-N -1 1 447.466 4.834 50 0 IJAAMM O=C(N=c1sccn1Cc1ccc(Cl)cc1Cl)c1cnc2ccccc2c1[O-] ZINC000253497195 569283308 /nfs/dbraw/zinc/28/33/08/569283308.db2.gz SXILBLJACUYLNX-UHFFFAOYSA-N -1 1 430.316 4.900 50 0 IJAAMM COc1cc(OC)c([C@H]2SC(C)=Nc3c2c(=O)[n-]n3[C@@H]2CCOC(C)(C)C2)cc1OC ZINC000095475784 569372933 /nfs/dbraw/zinc/37/29/33/569372933.db2.gz ONKNYEDOFQMTNP-BFUOFWGJSA-N -1 1 447.557 4.631 50 0 IJAAMM COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccccc5)oc-4c32)c(OC)c1 ZINC000096116272 569383634 /nfs/dbraw/zinc/38/36/34/569383634.db2.gz SOUGXGGJQINUAS-KRWDZBQOSA-N -1 1 444.439 4.624 50 0 biogenic IJAAMM CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2c[nH]nc2-c2ccc(F)cc2)S1 ZINC000096117230 569384147 /nfs/dbraw/zinc/38/41/47/569384147.db2.gz GEKRGMOLZUIUON-DNVCBOLYSA-N -1 1 441.532 4.722 50 0 IJAAMM CCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(OC)cc1)c1ccccc21 ZINC000002497232 569405719 /nfs/dbraw/zinc/40/57/19/569405719.db2.gz VJJGIVJILQDFQK-UHFFFAOYSA-N -1 1 439.489 4.881 50 0 IJAAMM O=C(NCc1ccccc1Cl)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000002938438 569426396 /nfs/dbraw/zinc/42/63/96/569426396.db2.gz ZTZIZLKCYCKTFM-UHFFFAOYSA-N -1 1 435.332 4.724 50 0 IJAAMM O=C(NCc1ccco1)c1cc2ccc([O-])cc2o/c1=N\c1cccc(C(F)(F)F)c1 ZINC000067299287 569468158 /nfs/dbraw/zinc/46/81/58/569468158.db2.gz KYOVHHVPBWBQFH-MEFGMAGPSA-N -1 1 428.366 4.913 50 0 IJAAMM CSc1nc(CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc(=O)[n-]1 ZINC000009120226 569503798 /nfs/dbraw/zinc/50/37/98/569503798.db2.gz PNCGHQNANYOZJM-UHFFFAOYSA-N -1 1 441.969 4.685 50 0 IJAAMM COc1ccc([N-]S(=O)(=O)c2ccc3oc(SCc4c(C)noc4C)nc3c2)cc1 ZINC000009126914 569505069 /nfs/dbraw/zinc/50/50/69/569505069.db2.gz SXINYJXFXUIGMO-UHFFFAOYSA-N -1 1 445.522 4.534 50 0 IJAAMM CCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3CCC)cc1 ZINC000009167492 569509031 /nfs/dbraw/zinc/50/90/31/569509031.db2.gz SKWJSELZMWKAKL-UHFFFAOYSA-N -1 1 430.570 4.602 50 0 IJAAMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3CCC(C)C)ccc1F ZINC000009169516 569509259 /nfs/dbraw/zinc/50/92/59/569509259.db2.gz UIDAGTYDSDZQLT-UHFFFAOYSA-N -1 1 448.560 4.733 50 0 IJAAMM CC(C)(C)c1ccc(OCCSc2nc(-c3ccccc3F)nc3cc(=O)[n-]n32)cc1 ZINC000009640938 569555535 /nfs/dbraw/zinc/55/55/35/569555535.db2.gz HMUOLFHLESJZDN-UHFFFAOYSA-N -1 1 438.528 4.692 50 0 IJAAMM O=S(=O)([N-]c1cccc(-c2ccc(N3CCCC3)nn2)c1)c1ccc2ccccc2c1 ZINC000009714631 569562844 /nfs/dbraw/zinc/56/28/44/569562844.db2.gz QHUNZSKMLSPETD-UHFFFAOYSA-N -1 1 430.533 4.698 50 0 IJAAMM Cc1nc2cc(NC(=O)c3cccc([N-]S(=O)(=O)c4ccc(F)cc4)c3)ccc2s1 ZINC000009714773 569562879 /nfs/dbraw/zinc/56/28/79/569562879.db2.gz YPXDAXBVTRDFIQ-UHFFFAOYSA-N -1 1 441.509 4.797 50 0 IJAAMM CCOc1ccccc1NC(=O)CCc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000010077798 569577633 /nfs/dbraw/zinc/57/76/33/569577633.db2.gz KBEUUSCSCSNCBQ-UHFFFAOYSA-N -1 1 438.549 4.766 50 0 IJAAMM CC(C)Oc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4F)[n-]c(=O)c32)cc1 ZINC000021784759 519781694 /nfs/dbraw/zinc/78/16/94/519781694.db2.gz 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Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H]2CCSc3c(F)cccc32)cc1 ZINC000012622343 525789291 /nfs/dbraw/zinc/78/92/91/525789291.db2.gz VKORBIJJSQGBMO-KRWDZBQOSA-N -1 1 428.558 4.799 50 0 IJAAMM O=C([O-])c1sccc1S(=O)(=O)Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1 ZINC000012559766 526413446 /nfs/dbraw/zinc/41/34/46/526413446.db2.gz ZJQIDSUJQBQCNT-UHFFFAOYSA-N -1 1 449.460 4.659 50 0 IJAAMM O=C1C[C@@H](c2ccc(F)cc2F)c2c(=O)[n-]c(SCc3cccc(Cl)c3)nc2N1 ZINC000021784929 527022660 /nfs/dbraw/zinc/02/26/60/527022660.db2.gz GLKQRAFSFQLGNN-AWEZNQCLSA-N -1 1 433.867 4.880 50 0 IJAAMM O=C1C[C@@H](c2cccc(F)c2F)c2c(=O)[n-]c(SCc3cccc(Cl)c3)nc2N1 ZINC000020464032 527023110 /nfs/dbraw/zinc/02/31/10/527023110.db2.gz PRKWQPDCSNWVKQ-ZDUSSCGKSA-N -1 1 433.867 4.880 50 0 IJAAMM O=C(Nc1ccc(N2CCCCC2)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)C1CCC1 ZINC000012649591 527223676 /nfs/dbraw/zinc/22/36/76/527223676.db2.gz YDOAMIVVVNYZDJ-UHFFFAOYSA-N -1 1 447.988 4.870 50 0 IJAAMM CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc([N-]S(=O)(=O)c3ccccc3)cc21 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556862141 /nfs/dbraw/zinc/86/21/41/556862141.db2.gz REHZXFRSYQKQEG-UHFFFAOYSA-N -1 1 437.546 4.966 50 0 IJAAMM CC(C)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)cc1 ZINC000033130272 556870164 /nfs/dbraw/zinc/87/01/64/556870164.db2.gz PZPYRWCNRJKQKT-UHFFFAOYSA-N -1 1 426.513 4.679 50 0 IJAAMM CSc1cccc([N-]S(=O)(=O)c2cc(-c3cc(C(F)(F)F)n[nH]3)sc2C)c1 ZINC000033173854 556883863 /nfs/dbraw/zinc/88/38/63/556883863.db2.gz VXFNQDXWHQFAOC-UHFFFAOYSA-N -1 1 433.502 4.988 50 0 IJAAMM CCOc1ccc(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000020176880 556995411 /nfs/dbraw/zinc/99/54/11/556995411.db2.gz ZZBRDVXMOPBVCU-UHFFFAOYSA-N -1 1 427.551 4.695 50 0 IJAAMM Cc1cccc2sc(NC(=O)Cc3cc(=O)[n-]c(SCc4ccccc4F)n3)nc21 ZINC000023138440 557021657 /nfs/dbraw/zinc/02/16/57/557021657.db2.gz WGNSQDCXYITOGE-UHFFFAOYSA-N -1 1 440.525 4.713 50 0 IJAAMM O=C(c1ccccc1)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc21 ZINC000017178210 557037759 /nfs/dbraw/zinc/03/77/59/557037759.db2.gz CJVHWGMFDJVCRP-UHFFFAOYSA-N -1 1 426.925 4.734 50 0 IJAAMM COc1ccc(-c2nc(-c3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)no2)c(C)c1 ZINC000033276514 557056839 /nfs/dbraw/zinc/05/68/39/557056839.db2.gz XDWRWNBRCVQWJO-UHFFFAOYSA-N -1 1 439.468 4.661 50 0 IJAAMM Cc1ccc(-n2nc3c4cc(C(=O)NCc5ccc(Cl)cc5)ccc4[n-]cc-3c2=O)cc1 ZINC000101281945 557266961 /nfs/dbraw/zinc/26/69/61/557266961.db2.gz USZFQKXJXRKTFI-UHFFFAOYSA-N -1 1 442.906 4.710 50 0 IJAAMM C[C@H](NC(=O)c1ccc2[n-]cc3c(=O)n(-c4ccc(Cl)cc4)nc-3c2c1)c1ccccc1 ZINC000101282162 557267116 /nfs/dbraw/zinc/26/71/16/557267116.db2.gz HBULTBMPNWNHTN-HNNXBMFYSA-N -1 1 442.906 4.963 50 0 IJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000023489376 557364522 /nfs/dbraw/zinc/36/45/22/557364522.db2.gz GDHIICSJUKXLCS-HNNXBMFYSA-N -1 1 430.476 4.565 50 0 IJAAMM Cc1ccc(C(C)C)c(OCCSc2nc(-c3ccccc3F)nc3cc(=O)[n-]n32)c1 ZINC000008603084 562955945 /nfs/dbraw/zinc/95/59/45/562955945.db2.gz HAIYBSVMSGQCOC-UHFFFAOYSA-N -1 1 438.528 4.827 50 0 aggregator IJAAMM CC(C)(C)c1ccc(OCCSc2nc(-c3cccs3)nc3cc(=O)[n-]n32)cc1 ZINC000008673351 562961137 /nfs/dbraw/zinc/96/11/37/562961137.db2.gz BVTQKZFCIZZNRB-UHFFFAOYSA-N -1 1 426.567 4.615 50 0 IJAAMM CCc1cccc(CC)c1NC(=O)[C@H]([N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000008690704 562963245 /nfs/dbraw/zinc/96/32/45/562963245.db2.gz AYDCGXFUTQPEON-OAQYLSRUSA-N -1 1 428.579 4.531 50 0 aggregator IJAAMM Cc1cccn2cc(-c3ccc([N-]S(=O)(=O)c4ccc(Br)cc4)cc3)nc12 ZINC000000936140 568638791 /nfs/dbraw/zinc/63/87/91/568638791.db2.gz YINKFRGHKLWFBF-UHFFFAOYSA-N -1 1 442.338 4.873 50 0 IJAAMM CCCOc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccc(C)cc4)[n-]c(=O)c32)cc1 ZINC000086057223 568642451 /nfs/dbraw/zinc/64/24/51/568642451.db2.gz AKXSBGRTRYVLSX-IBGZPJMESA-N -1 1 435.549 4.634 50 0 IJAAMM CCCOc1ccccc1[C@@H]1CC(=O)Nc2nc(SCc3cccc(C)c3)[n-]c(=O)c21 ZINC000086057130 568642498 /nfs/dbraw/zinc/64/24/98/568642498.db2.gz DZDBBZKAQHOVJI-SFHVURJKSA-N -1 1 435.549 4.634 50 0 IJAAMM CCOc1cccc([C@H]2CC(=O)Nc3nc(SCc4cccc(Cl)c4)[n-]c(=O)c32)c1 ZINC000086057504 568642688 /nfs/dbraw/zinc/64/26/88/568642688.db2.gz SJDCIVJQDXWSSJ-QGZVFWFLSA-N -1 1 441.940 4.588 50 0 IJAAMM CCCC(=O)Nc1nc2cc([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)ccc2s1 ZINC000015870360 568851764 /nfs/dbraw/zinc/85/17/64/568851764.db2.gz LINFTQYRUXDKPD-UHFFFAOYSA-N -1 1 443.472 4.855 50 0 IJAAMM O=S(=O)([N-]c1ccc(-c2ccc(N3CCCCCC3)nn2)cc1)c1cccc(Cl)c1 ZINC000015882147 568856503 /nfs/dbraw/zinc/85/65/03/568856503.db2.gz KGHIOACFPTUPKJ-UHFFFAOYSA-N -1 1 442.972 4.978 50 0 IJAAMM COc1cc(Cl)c([N-]S(=O)(=O)c2c(C)sc(C)c2-c2cc(C)no2)c(OC)c1 ZINC000064845644 568972017 /nfs/dbraw/zinc/97/20/17/568972017.db2.gz NWZUOLPYAZVYQI-UHFFFAOYSA-N -1 1 442.946 4.800 50 0 IJAAMM Cc1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3Br)s2)c1C ZINC000065031299 569091466 /nfs/dbraw/zinc/09/14/66/569091466.db2.gz PEYVDIOEGPARTP-UHFFFAOYSA-N -1 1 427.345 4.892 50 0 IJAAMM O=C(N[C@H]1CCCc2ccccc21)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000089858352 569165889 /nfs/dbraw/zinc/16/58/89/569165889.db2.gz GVXCRWBFTJNZAN-QFIPXVFZSA-N -1 1 440.952 4.948 50 0 IJAAMM COc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)C34CC5CC(CC(C5)C3)C4)c2)cc1 ZINC000016969521 569168567 /nfs/dbraw/zinc/16/85/67/569168567.db2.gz OUCBXFFZBDSXKM-UHFFFAOYSA-N -1 1 440.565 4.651 50 0 IJAAMM O=C(c1cccs1)N1CCCc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc21 ZINC000017150027 569175025 /nfs/dbraw/zinc/17/50/25/569175025.db2.gz JECQCNPJSVYWGJ-UHFFFAOYSA-N -1 1 432.954 4.795 50 0 IJAAMM O=c1cc2c(c3occ(-c4ccc(Cl)cc4)c([O-])c1-3)[C@H](c1cccc(O)c1)CC(=O)O2 ZINC000253396165 569264692 /nfs/dbraw/zinc/26/46/92/569264692.db2.gz AVKNTZRIJBHQFS-INIZCTEOSA-N -1 1 434.831 4.966 50 0 biogenic IJAAMM COc1ccccc1Oc1cnc(N)nc1-c1ccc(OCc2ccccc2F)cc1[O-] ZINC000002343977 569275338 /nfs/dbraw/zinc/27/53/38/569275338.db2.gz LQVLSWDLZUZJMN-UHFFFAOYSA-N -1 1 433.439 4.950 50 0 IJAAMM CCCc1cc(=O)[n-]c(SCc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)n1 ZINC000013108708 569310250 /nfs/dbraw/zinc/31/02/50/569310250.db2.gz XCHUNWWHELGLAJ-UHFFFAOYSA-N -1 1 428.583 4.773 50 0 IJAAMM COc1ccc(C)cc1[C@H](C)NC(=O)c1oc2ccccc2c1CSc1nccc(=O)[n-]1 ZINC000058005085 569444582 /nfs/dbraw/zinc/44/45/82/569444582.db2.gz XFFVKLQKZUPCIU-HNNXBMFYSA-N -1 1 449.532 4.616 50 0 IJAAMM COc1ccc(Cl)cc1/N=c1\oc2cc([O-])ccc2cc1C(=O)Nc1ccc(C)cn1 ZINC000067294414 569467900 /nfs/dbraw/zinc/46/79/00/569467900.db2.gz FFWGTGBGGXSNGB-RWEWTDSWSA-N -1 1 435.867 4.989 50 0 IJAAMM O=C([O-])c1ccccc1NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(Cl)c1Cl ZINC000040287369 569498200 /nfs/dbraw/zinc/49/82/00/569498200.db2.gz XOFCORYPDQIUQJ-SFHVURJKSA-N -1 1 431.279 4.594 50 0 IJAAMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)c3ccc4ccccc4n3)c2)c1 ZINC000009120003 569503741 /nfs/dbraw/zinc/50/37/41/569503741.db2.gz KWZFJOCDQXBSKO-UHFFFAOYSA-N -1 1 431.517 4.905 50 0 IJAAMM CCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3CC(C)C)cc1 ZINC000009168093 569509126 /nfs/dbraw/zinc/50/91/26/569509126.db2.gz IUYHKERTJNLMCO-UHFFFAOYSA-N -1 1 444.597 4.848 50 0 IJAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3ccccc3c2)cc1C(=O)N1CCCCCC1 ZINC000009356156 569525462 /nfs/dbraw/zinc/52/54/62/569525462.db2.gz FDSUDRHERVVIMV-UHFFFAOYSA-N -1 1 438.549 4.665 50 0 IJAAMM Cc1ccc(NC(=O)c2cn(C)c3ccccc23)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000009412555 569531598 /nfs/dbraw/zinc/53/15/98/569531598.db2.gz VFMPQUIJOYXPIC-UHFFFAOYSA-N -1 1 437.496 4.679 50 0 IJAAMM CSc1ncc(Cl)c(C(=O)[N-]c2nnc(SCc3ccc(Cl)cc3)s2)n1 ZINC000009431766 569534268 /nfs/dbraw/zinc/53/42/68/569534268.db2.gz JJNILZNRDIHHHX-UHFFFAOYSA-N -1 1 444.394 4.901 50 0 IJAAMM O=S(=O)([N-]c1ccc(Br)cc1Br)c1ccc(Cl)s1 ZINC000009441899 569535437 /nfs/dbraw/zinc/53/54/37/569535437.db2.gz VQVVWMPPLRZMAT-UHFFFAOYSA-N -1 1 431.558 4.727 50 0 IJAAMM Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Br)cc3)c2)cc1 ZINC000009539593 569545681 /nfs/dbraw/zinc/54/56/81/569545681.db2.gz LYTDSGIOECYBPQ-UHFFFAOYSA-N -1 1 445.338 4.811 50 0 IJAAMM Cc1ccccc1-n1c(SCc2cc(=O)oc3cc([O-])ccc23)nnc1-c1cccnc1 ZINC000009584663 569549444 /nfs/dbraw/zinc/54/94/44/569549444.db2.gz VVDQTJPNLCUHAA-UHFFFAOYSA-N -1 1 442.500 4.742 50 0 IJAAMM CCc1cc2c(cc1S(=O)(=O)[N-]c1ccc(C(C)=O)cc1)[nH]c1c2C(=O)CC(C)(C)C1 ZINC000009685748 569560718 /nfs/dbraw/zinc/56/07/18/569560718.db2.gz NXSZTCBONABTKY-UHFFFAOYSA-N -1 1 438.549 4.889 50 0 IJAAMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)N1CCC[C@H](C(F)(F)F)C1 ZINC000010289280 569580507 /nfs/dbraw/zinc/58/05/07/569580507.db2.gz BTEVGFVCVHZYSJ-AWEZNQCLSA-N -1 1 446.878 4.555 50 0 IJAAMM COc1cc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc(Cl)c1OCC(C)C ZINC000012800768 522066082 /nfs/dbraw/zinc/06/60/82/522066082.db2.gz BCMFGPTXRPBFQQ-UHFFFAOYSA-N -1 1 445.943 4.824 50 0 IJAAMM COc1cc(Cl)c(C)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000022616670 522517541 /nfs/dbraw/zinc/51/75/41/522517541.db2.gz BBHWZSPFJFJQSM-UHFFFAOYSA-N -1 1 430.913 4.710 50 0 IJAAMM Cc1cccc([N-]S(=O)(=O)c2cc(NS(=O)(=O)/C=C/c3ccccc3)ccc2C)c1 ZINC000012631162 524689500 /nfs/dbraw/zinc/68/95/00/524689500.db2.gz CYSXBPTWQXMACA-BUHFOSPRSA-N -1 1 442.562 4.517 50 0 IJAAMM Cc1ccc(N2C(=O)CS[C@@H]2c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1C ZINC000035912494 524920707 /nfs/dbraw/zinc/92/07/07/524920707.db2.gz CTWNNEXPMCXRFT-HSZRJFAPSA-N -1 1 438.574 4.883 50 0 IJAAMM Cc1ccccc1CNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000018107034 525155336 /nfs/dbraw/zinc/15/53/36/525155336.db2.gz MJXQAHWFBJSSLK-UHFFFAOYSA-N -1 1 444.556 4.808 50 0 IJAAMM Cc1ccccc1N1C(=O)CS[C@H]1c1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000035910297 525222029 /nfs/dbraw/zinc/22/20/29/525222029.db2.gz GIXJASLDMBPZQE-QFIPXVFZSA-N -1 1 442.537 4.714 50 0 IJAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(N4CCC(C)CC4)nn3)c2)cc1C ZINC000020554799 525612123 /nfs/dbraw/zinc/61/21/23/525612123.db2.gz XWPXCRQFOSWXLF-UHFFFAOYSA-N -1 1 436.581 4.798 50 0 IJAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3cccc4cccnc43)c2)cc1C ZINC000012561005 525615271 /nfs/dbraw/zinc/61/52/71/525615271.db2.gz CPILUFZSVDGOPS-UHFFFAOYSA-N -1 1 431.517 4.905 50 0 IJAAMM O=C1C[C@H](c2cc(F)ccc2F)c2c(=O)[n-]c(SCc3ccccc3Cl)nc2N1 ZINC000021785010 527032122 /nfs/dbraw/zinc/03/21/22/527032122.db2.gz FSGXMXJVWBHDKJ-CYBMUJFWSA-N -1 1 433.867 4.880 50 0 IJAAMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1 ZINC000001166440 555664034 /nfs/dbraw/zinc/66/40/34/555664034.db2.gz LWJVCOCFORHYPM-UHFFFAOYSA-N -1 1 445.338 4.811 50 0 IJAAMM COc1cc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4o3)c([O-])c2)cc(OC)c1OC ZINC000001210229 555681949 /nfs/dbraw/zinc/68/19/49/555681949.db2.gz YSEGNDMFSDKRJE-UHFFFAOYSA-N -1 1 434.448 4.787 50 0 IJAAMM CCCCOC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000002051995 555729190 /nfs/dbraw/zinc/72/91/90/555729190.db2.gz YNWHMXFCVUUPHQ-UHFFFAOYSA-N -1 1 427.320 4.599 50 0 IJAAMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1Br ZINC000002857565 555842342 /nfs/dbraw/zinc/84/23/42/555842342.db2.gz KKRKFJKOJMBTPP-UHFFFAOYSA-N -1 1 445.338 4.811 50 0 IJAAMM O=c1nc(N2CCN(c3ccccc3F)CC2)[n-]c2c(-c3ccc(Cl)cc3)csc21 ZINC000044169370 556666430 /nfs/dbraw/zinc/66/64/30/556666430.db2.gz NWCQFHNPXWNZPL-UHFFFAOYSA-N -1 1 440.931 4.771 50 0 IJAAMM Cc1cccc(N2CCN(c3nc(=O)c4scc(-c5cccc(Cl)c5)c4[n-]3)CC2)c1 ZINC000048988970 556702928 /nfs/dbraw/zinc/70/29/28/556702928.db2.gz SZQGOXINJWYDOG-UHFFFAOYSA-N -1 1 436.968 4.940 50 0 IJAAMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccccc3Cl)ccc2C)cc1 ZINC000003422119 556814933 /nfs/dbraw/zinc/81/49/33/556814933.db2.gz YAYWXRTUYFLWDZ-UHFFFAOYSA-N -1 1 428.941 4.688 50 0 IJAAMM O=C(Cc1cc(=O)[n-]c(SCc2cccc(Cl)c2)n1)NCc1ccccc1Cl ZINC000023138280 557021245 /nfs/dbraw/zinc/02/12/45/557021245.db2.gz YBKGDPXVFLSNCO-UHFFFAOYSA-N -1 1 434.348 4.640 50 0 IJAAMM CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)[N-]c2cccc(CC)c2)cc1 ZINC000033297934 557073873 /nfs/dbraw/zinc/07/38/73/557073873.db2.gz LXDAKXWXNOKOBB-KAMYIIQDSA-N -1 1 439.537 4.865 50 0 IJAAMM Cc1cccc(-c2csc3c2[n-]c(N2CCN(c4cccc(C)c4)[C@H](C)C2)nc3=O)c1 ZINC000048987284 557082905 /nfs/dbraw/zinc/08/29/05/557082905.db2.gz YQCCLEFUWWWTGA-GOSISDBHSA-N -1 1 430.577 4.984 50 0 IJAAMM O=C(Nc1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)c1cc(-c2ccco2)on1 ZINC000024375932 557145704 /nfs/dbraw/zinc/14/57/04/557145704.db2.gz QIFHFGXJWJSPBY-UHFFFAOYSA-N -1 1 443.868 4.641 50 0 IJAAMM O=S(=O)([N-]c1ccc(Br)cc1Cl)c1ccc(Br)cc1F ZINC000098073056 557233275 /nfs/dbraw/zinc/23/32/75/557233275.db2.gz JOZKEGYCVUISFR-UHFFFAOYSA-N -1 1 443.519 4.805 50 0 IJAAMM C[C@H](CCc1ccccc1)NC(=O)c1ccc2[n-]cc3c(=O)n(-c4ccccc4)nc-3c2c1 ZINC000101828416 557300185 /nfs/dbraw/zinc/30/01/85/557300185.db2.gz CUJYSMOJSUKMFJ-GOSISDBHSA-N -1 1 436.515 4.570 50 0 IJAAMM CCCCc1c(C)nc2[n-]c(N(Cc3ccc(C)cc3)C(=O)c3ccccc3C)nn2c1=O ZINC000101861438 557304114 /nfs/dbraw/zinc/30/41/14/557304114.db2.gz ACNLSNDIZRPDCM-UHFFFAOYSA-N -1 1 443.551 4.532 50 0 IJAAMM Cc1[nH]c2ccccc2c1[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C([O-])=C2ON1c1ccccc1 ZINC000226905027 557810969 /nfs/dbraw/zinc/81/09/69/557810969.db2.gz LSSSCLSZTSZTQM-WXFUMESZSA-N -1 1 441.462 4.667 50 0 IJAAMM COc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000003343790 562934552 /nfs/dbraw/zinc/93/45/52/562934552.db2.gz KFNAWWUFIQYLQD-UHFFFAOYSA-N -1 1 434.876 4.541 50 0 IJAAMM CC(C)(C)c1ccc(-c2nc3cc(=O)[n-]n3c(SCCCOc3ccccc3)n2)cc1 ZINC000008831165 562964937 /nfs/dbraw/zinc/96/49/37/562964937.db2.gz MCXGXJXLWXJVLF-UHFFFAOYSA-N -1 1 434.565 4.943 50 0 IJAAMM COc1ccc(S(=O)(=O)c2c(C)c(NC(=O)c3ccccc3)cc(C(C)C)c2[O-])cc1 ZINC000001050203 568654464 /nfs/dbraw/zinc/65/44/64/568654464.db2.gz CGTPDIZEWTVOEN-UHFFFAOYSA-N -1 1 439.533 4.918 50 0 IJAAMM CCOc1ccc(-c2nc3c(sc(=S)n3-c3ccccc3)c(=O)[n-]2)cc1OCC ZINC000001080155 568656947 /nfs/dbraw/zinc/65/69/47/568656947.db2.gz IFGDFTWAJNCHHO-UHFFFAOYSA-N -1 1 425.535 4.969 50 0 IJAAMM Cc1ccc(Sc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CC(=O)N4C)cc2)c(C)c1 ZINC000012541667 568743936 /nfs/dbraw/zinc/74/39/36/568743936.db2.gz KZQVDGWJLSONTJ-UHFFFAOYSA-N -1 1 438.574 4.774 50 0 IJAAMM COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3C2CCCCCC2)c(OC)c2c1OCO2 ZINC000085412400 568818430 /nfs/dbraw/zinc/81/84/30/568818430.db2.gz VLVLMJJTAUIGHF-FQEVSTJZSA-N -1 1 445.541 4.704 50 0 IJAAMM CC(C)C(=O)N1CC(C)(C)c2cc(S(=O)(=O)[N-]c3ccc(C(F)(F)F)cc3)ccc21 ZINC000065021089 569088697 /nfs/dbraw/zinc/08/86/97/569088697.db2.gz ACYOOLYOPXMAGL-UHFFFAOYSA-N -1 1 440.487 4.786 50 0 IJAAMM CCCN1c2ncccc2Oc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2C1=O ZINC000065241618 569118810 /nfs/dbraw/zinc/11/88/10/569118810.db2.gz LPNLKOVZRKWKNP-UHFFFAOYSA-N -1 1 443.912 4.698 50 0 IJAAMM COc1cccc(-c2cc(=O)[n-]c(SCc3nc(-c4ccc(SC)cc4)no3)n2)c1 ZINC000016960567 569168212 /nfs/dbraw/zinc/16/82/12/569168212.db2.gz KTHSTCUOZOSYSG-UHFFFAOYSA-N -1 1 438.534 4.922 50 0 IJAAMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2cccs2)CCC3)ccc1F ZINC000017011197 569170378 /nfs/dbraw/zinc/17/03/78/569170378.db2.gz JSBOGURBJXCESG-UHFFFAOYSA-N -1 1 430.526 4.589 50 0 IJAAMM Cc1ccc(C[C@@H](C)NC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)s1 ZINC000095466962 569371037 /nfs/dbraw/zinc/37/10/37/569371037.db2.gz QGSXRZATTFJZDX-OAHLLOKOSA-N -1 1 429.567 4.610 50 0 IJAAMM COc1cc([C@H]2SC(C)=Nc3c2c(=O)[n-]n3[C@H]2CCOC(C)(C)C2)cc(OC)c1OC ZINC000095478042 569373370 /nfs/dbraw/zinc/37/33/70/569373370.db2.gz BIRKSJKFKIWXDT-IFXJQAMLSA-N -1 1 447.557 4.631 50 0 IJAAMM O=c1cc(-c2ccccc2)oc2c1c([O-])cc1c2[C@@H](c2cccc3nccnc32)CC(=O)O1 ZINC000096113711 569382530 /nfs/dbraw/zinc/38/25/30/569382530.db2.gz UUFICDOYPMPUFA-MRXNPFEDSA-N -1 1 436.423 4.550 50 0 biogenic IJAAMM O=c1cc2c(c3oc(-c4ccccc4)cc([O-])c1-3)[C@@H](c1cccc3nccnc31)CC(=O)O2 ZINC000096113711 569382531 /nfs/dbraw/zinc/38/25/31/569382531.db2.gz UUFICDOYPMPUFA-MRXNPFEDSA-N -1 1 436.423 4.550 50 0 biogenic IJAAMM O=c1cc2c(c3occ(-c4ccc(O)cc4)c([O-])c1-3)[C@H](c1ccc(Cl)cc1)CC(=O)O2 ZINC000096115899 569383453 /nfs/dbraw/zinc/38/34/53/569383453.db2.gz YYAVTOIZLUBRPZ-INIZCTEOSA-N -1 1 434.831 4.966 50 0 biogenic IJAAMM COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccccc5)oc-4c32)c(OC)c1 ZINC000096116273 569383646 /nfs/dbraw/zinc/38/36/46/569383646.db2.gz SOUGXGGJQINUAS-QGZVFWFLSA-N -1 1 444.439 4.624 50 0 biogenic IJAAMM CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@H](c2cc3c(c(Cl)c2)OCO3)S1 ZINC000096117989 569384436 /nfs/dbraw/zinc/38/44/36/569384436.db2.gz DOXTWLHZNJHHNC-SJCJKPOMSA-N -1 1 435.933 4.575 50 0 IJAAMM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc2nc(-c3ccccc3Cl)[nH]c2c1 ZINC000040156327 569494095 /nfs/dbraw/zinc/49/40/95/569494095.db2.gz UUSXCDWDYWFALT-UHFFFAOYSA-N -1 1 447.925 4.532 50 0 IJAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3CC(C)C)c1 ZINC000009168306 569509182 /nfs/dbraw/zinc/50/91/82/569509182.db2.gz RXRMIBJXEFXLDU-UHFFFAOYSA-N -1 1 430.570 4.512 50 0 IJAAMM Cc1c2ccc([O-])cc2oc(=O)c1CCC(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000009530660 569545007 /nfs/dbraw/zinc/54/50/07/569545007.db2.gz YOJJFMGALBXDLU-UHFFFAOYSA-N -1 1 448.544 4.756 50 0 IJAAMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC[C@H](C(F)(F)F)C3)cc2)c1C ZINC000009931551 569573701 /nfs/dbraw/zinc/57/37/01/569573701.db2.gz DPOOCDPQYAKKMJ-KRWDZBQOSA-N -1 1 440.487 4.519 50 0 IJAAMM CC(C)Oc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4F)[n-]c(=O)c32)cc1 ZINC000021784763 519782130 /nfs/dbraw/zinc/78/21/30/519782130.db2.gz DFQVORMCGJITGC-QGZVFWFLSA-N -1 1 439.512 4.875 50 0 IJAAMM CCCCc1nnc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)s1 ZINC000012748597 521326337 /nfs/dbraw/zinc/32/63/37/521326337.db2.gz WKQOJFXEQSNTMF-UHFFFAOYSA-N -1 1 444.582 4.551 50 0 IJAAMM CN(C(=O)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1)c1ccccc1 ZINC000012536161 523944383 /nfs/dbraw/zinc/94/43/83/523944383.db2.gz WLDOXTKQYQKUEU-UHFFFAOYSA-N -1 1 445.338 4.527 50 0 IJAAMM Cc1cccc(N2C(=O)CS[C@@H]2c2cccc([N-]S(=O)(=O)c3ccc(F)cc3)c2)c1 ZINC000035910504 524533152 /nfs/dbraw/zinc/53/31/52/524533152.db2.gz GIRGHBIMYGCNEM-JOCHJYFZSA-N -1 1 442.537 4.714 50 0 IJAAMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCc4sccc4[C@@H]3C)c2)c1 ZINC000012561138 524691758 /nfs/dbraw/zinc/69/17/58/524691758.db2.gz KABODHAYFHHEEQ-INIZCTEOSA-N -1 1 426.563 4.617 50 0 IJAAMM Cc1ccccc1N1C(=O)CS[C@@H]1c1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000035910298 525220770 /nfs/dbraw/zinc/22/07/70/525220770.db2.gz GIXJASLDMBPZQE-JOCHJYFZSA-N -1 1 442.537 4.714 50 0 IJAAMM Cc1cc(S(=O)(=O)[N-]c2c3ccccc3nc3c2CCCC3)ccc1Br ZINC000012546664 525420708 /nfs/dbraw/zinc/42/07/08/525420708.db2.gz SIQGIAVSCTYCBC-UHFFFAOYSA-N -1 1 431.355 4.985 50 0 IJAAMM Cc1ccc(-c2csc(Cc3nc([O-])c(CC(=O)Nc4ccccc4F)s3)n2)cc1 ZINC000012797469 525778717 /nfs/dbraw/zinc/77/87/17/525778717.db2.gz DGJJKQBYTYBJTN-SFHVURJKSA-N -1 1 439.537 4.869 50 0 IJAAMM O=C1C[C@H](c2cc(F)cc(F)c2)c2c(=O)[n-]c(SCc3cccc(Cl)c3)nc2N1 ZINC000021784854 527031604 /nfs/dbraw/zinc/03/16/04/527031604.db2.gz SDQJXASYAWRTIB-OAHLLOKOSA-N -1 1 433.867 4.880 50 0 IJAAMM Cc1nc2cc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4cccc(C)c4)c3)ccc2o1 ZINC000012740541 527129564 /nfs/dbraw/zinc/12/95/64/527129564.db2.gz ZVSFGDOKWOHEIL-UHFFFAOYSA-N -1 1 435.505 4.806 50 0 IJAAMM O=S(=O)([N-]c1cccc([C@H]2OC[C@H](COc3ccc(Cl)cc3)O2)c1)c1ccccc1 ZINC000012376840 527253074 /nfs/dbraw/zinc/25/30/74/527253074.db2.gz UQDDVJZSYBZOPD-UNMCSNQZSA-N -1 1 445.924 4.634 50 0 IJAAMM Cc1ccc(C(=O)c2ccc(Br)cc2)cc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000000797215 555558329 /nfs/dbraw/zinc/55/83/29/555558329.db2.gz QPBPHAQBCWOHIS-UHFFFAOYSA-N -1 1 448.313 4.928 50 0 IJAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnc(Cc4cc(F)cc(F)c4)o3)c2)cc1 ZINC000001047180 555611495 /nfs/dbraw/zinc/61/14/95/555611495.db2.gz DIXFNMQBOOFHAG-UHFFFAOYSA-N -1 1 441.459 4.715 50 0 IJAAMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3)c2)cc1 ZINC000001162624 555662672 /nfs/dbraw/zinc/66/26/72/555662672.db2.gz NZTDQGFYSJBLQM-UHFFFAOYSA-N -1 1 430.913 4.792 50 0 IJAAMM Cc1ccc(C(=O)NCCSC2CCCCC2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000002879702 555854271 /nfs/dbraw/zinc/85/42/71/555854271.db2.gz QHASLXPCBRHWSR-UHFFFAOYSA-N -1 1 432.611 4.592 50 0 IJAAMM CSc1ncc(Cl)c(C(=O)[N-]c2nnc(SC/C=C/c3ccccc3)s2)n1 ZINC000002881948 555855877 /nfs/dbraw/zinc/85/58/77/555855877.db2.gz HBUXXZHNMJRZHR-VMPITWQZSA-N -1 1 435.987 4.761 50 0 aggregator IJAAMM CC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)c1 ZINC000002886812 555858417 /nfs/dbraw/zinc/85/84/17/555858417.db2.gz SDBYEWQTYVRNJS-UHFFFAOYSA-N -1 1 436.533 4.868 50 0 IJAAMM CCOc1ccc(S(=O)(=O)[N-]c2cc3c(C(=O)OC)c(C)oc3c3ccccc23)cc1 ZINC000008438990 556174926 /nfs/dbraw/zinc/17/49/26/556174926.db2.gz MAWAOGAOUVQLEI-UHFFFAOYSA-N -1 1 439.489 4.881 50 0 IJAAMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(C2(C(=O)NC3CCCCCC3)CC2)cc1 ZINC000033115397 556555028 /nfs/dbraw/zinc/55/50/28/556555028.db2.gz PBDKQUGWJIXVPV-UHFFFAOYSA-N -1 1 426.582 4.666 50 0 IJAAMM C[C@@H]1CCc2c(C(=O)Nn3c(=O)c4c([n-]c3=S)sc3c4CCCC3)csc2C1 ZINC000017097679 556661983 /nfs/dbraw/zinc/66/19/83/556661983.db2.gz JTWOSPHTAHDRDF-SNVBAGLBSA-N -1 1 431.608 4.570 50 0 IJAAMM CC(C)c1cc(=O)[n-]c(-n2nc(-c3cccs3)cc2NC(=O)c2cc3ccccc3o2)n1 ZINC000011855649 556662109 /nfs/dbraw/zinc/66/21/09/556662109.db2.gz NXKOJEOTENAERO-UHFFFAOYSA-N -1 1 445.504 4.806 50 0 IJAAMM Cc1ccccc1NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000068741388 556849814 /nfs/dbraw/zinc/84/98/14/556849814.db2.gz GDAVFPQAMOXZMJ-UHFFFAOYSA-N -1 1 436.867 4.980 50 0 IJAAMM CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)cc1 ZINC000033130277 556870024 /nfs/dbraw/zinc/87/00/24/556870024.db2.gz SADOENIBWWVVLE-INIZCTEOSA-N -1 1 426.513 4.822 50 0 IJAAMM CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000033297906 557073867 /nfs/dbraw/zinc/07/38/67/557073867.db2.gz BOJFBPUUDIVHHU-RAXLEYEMSA-N -1 1 439.537 4.920 50 0 IJAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1NC(=O)Cc1ccccc1F ZINC000024749736 557161938 /nfs/dbraw/zinc/16/19/38/557161938.db2.gz WMKLZORAJOQSGI-UHFFFAOYSA-N -1 1 432.904 4.770 50 0 IJAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)cc1C ZINC000024841162 557173227 /nfs/dbraw/zinc/17/32/27/557173227.db2.gz NOAMQBIOMMYGBG-UHFFFAOYSA-N -1 1 428.941 4.939 50 0 IJAAMM Cc1cc(=O)n2c(-c3cccc([N-]S(=O)(=O)c4ccc5ccccc5c4)c3)csc2n1 ZINC000011696333 557233099 /nfs/dbraw/zinc/23/30/99/557233099.db2.gz BACRHGVDRUFXPX-UHFFFAOYSA-N -1 1 447.541 4.685 50 0 IJAAMM CCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4C)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102764604 557381280 /nfs/dbraw/zinc/38/12/80/557381280.db2.gz OPQARVUTIOVVNJ-UBFVSLLYSA-N -1 1 442.515 4.753 50 0 IJAAMM O=C(CSc1nc(=O)c(Cc2ccccc2)c([O-])n1-c1ccccc1)c1ccccc1 ZINC000102882522 557408535 /nfs/dbraw/zinc/40/85/35/557408535.db2.gz AYYHQFDNRMXUDG-UHFFFAOYSA-N -1 1 428.513 4.504 50 0 IJAAMM CCCN1c2ccc([N-]S(=O)(=O)c3c(C)c(C)cc(C)c3C)cc2OCC(C)(C)C1=O ZINC000009167485 562967951 /nfs/dbraw/zinc/96/79/51/562967951.db2.gz JMYRXSBTDJPFAT-UHFFFAOYSA-N -1 1 444.597 4.883 50 0 IJAAMM CCCc1cc(=O)[n-]c(SCc2nc(-c3ccccc3OCc3ccccc3)no2)n1 ZINC000044169549 568749141 /nfs/dbraw/zinc/74/91/41/568749141.db2.gz WWZUHYGUBGTIOW-UHFFFAOYSA-N -1 1 434.521 4.644 50 0 IJAAMM O=S(=O)([N-]c1ccc(F)cc1Cl)c1ccc(-c2cc(C(F)(F)F)[nH]n2)s1 ZINC000085664775 568833873 /nfs/dbraw/zinc/83/38/73/568833873.db2.gz YGFOOUHBJWDHFE-UHFFFAOYSA-N -1 1 425.816 4.750 50 0 IJAAMM O=S(=O)([N-]c1ccc(-c2ccc(N3CCCCC3)nn2)cc1)c1ccc(Cl)cc1 ZINC000015882231 568856789 /nfs/dbraw/zinc/85/67/89/568856789.db2.gz BPDZDXJBEAECKZ-UHFFFAOYSA-N -1 1 428.945 4.588 50 0 IJAAMM COc1ccc(C(=O)Oc2c(Cl)cc(C=C3SC(=S)[N-]C3=O)cc2OC)cc1 ZINC000026465687 568877812 /nfs/dbraw/zinc/87/78/12/568877812.db2.gz BGUCGBFDLSIEMA-DHDCSXOGSA-N -1 1 435.910 4.906 50 0 IJAAMM COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccccc5OC)coc-4c32)cc1 ZINC000524729236 568903986 /nfs/dbraw/zinc/90/39/86/568903986.db2.gz KPFICKFNRDOYJA-KRWDZBQOSA-N -1 1 444.439 4.624 50 0 biogenic IJAAMM CCCCCNC(=O)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000065059782 569096180 /nfs/dbraw/zinc/09/61/80/569096180.db2.gz ZAKLNZYOFHCGMJ-UHFFFAOYSA-N -1 1 439.537 4.595 50 0 IJAAMM CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2C)c1 ZINC000065116261 569107260 /nfs/dbraw/zinc/10/72/60/569107260.db2.gz CHAAYEKORUFVJD-UHFFFAOYSA-N -1 1 447.944 4.933 50 0 IJAAMM CC(=O)N1CC2=C(C1=O)[C@H](c1ccc([O-])c(Cl)c1)c1cn(CC(C)C)c3cccc(c13)N2 ZINC000524731541 569126661 /nfs/dbraw/zinc/12/66/61/569126661.db2.gz BGHYNASSEVLZIS-JOCHJYFZSA-N -1 1 449.938 4.857 50 0 biogenic IJAAMM COc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1NC(=O)c1cccc(Cl)c1 ZINC000010060032 569152392 /nfs/dbraw/zinc/15/23/92/569152392.db2.gz RMHAWRCGKOIECZ-UHFFFAOYSA-N -1 1 434.876 4.541 50 0 IJAAMM O=S(=O)([N-]c1cccc(-c2ccc(N3CCCC3)nn2)c1)c1ccc(C(F)(F)F)cc1 ZINC000017155265 569174996 /nfs/dbraw/zinc/17/49/96/569174996.db2.gz MQLLMIFCVCEWRJ-UHFFFAOYSA-N -1 1 448.470 4.563 50 0 IJAAMM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(C)cc3)c2)cc1 ZINC000003015278 569213098 /nfs/dbraw/zinc/21/30/98/569213098.db2.gz QUGHPNPGQGYEQV-UHFFFAOYSA-N -1 1 430.913 4.710 50 0 IJAAMM COc1ccc(OC)c([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccccc5)oc-4c32)c1 ZINC000096114675 569383051 /nfs/dbraw/zinc/38/30/51/569383051.db2.gz IHNYENWLENYRMS-KRWDZBQOSA-N -1 1 444.439 4.624 50 0 biogenic IJAAMM CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@H](c2cc(Cl)cc3c2OCOC3)S1 ZINC000096116682 569383775 /nfs/dbraw/zinc/38/37/75/569383775.db2.gz NZFNCZMJHHAUTC-KSSFIOAISA-N -1 1 449.960 4.713 50 0 IJAAMM Cc1ccc(NC(=O)c2ccco2)cc1S(=O)(=O)[N-]c1ccc(SC(F)F)cc1 ZINC000028493458 569410015 /nfs/dbraw/zinc/41/00/15/569410015.db2.gz WAPVKJHOTGXWKG-UHFFFAOYSA-N -1 1 438.477 4.956 50 0 IJAAMM CC(C)c1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)c2ccc([O-])cc2O)cc1 ZINC000002637614 569413297 /nfs/dbraw/zinc/41/32/97/569413297.db2.gz WCVBEPDTLNZGAJ-UHFFFAOYSA-N -1 1 446.528 4.895 50 0 IJAAMM O=C([O-])[C@H](c1c[nH]c2cc(F)ccc21)N1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000032095978 569459866 /nfs/dbraw/zinc/45/98/66/569459866.db2.gz UFPRGNUAICEILX-FQEVSTJZSA-N -1 1 436.314 4.557 50 0 IJAAMM COc1ccccc1[C@H](C)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000032461398 569461803 /nfs/dbraw/zinc/46/18/03/569461803.db2.gz YEEKFAHPISGUMY-SFHVURJKSA-N -1 1 438.549 4.638 50 0 IJAAMM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3CCC(C)C)cc1 ZINC000009169268 569509140 /nfs/dbraw/zinc/50/91/40/569509140.db2.gz AAKBVVVQMCFLFS-UHFFFAOYSA-N -1 1 444.597 4.848 50 0 IJAAMM CCSc1ncc(Cl)c(C(=O)[N-]c2nnc(SCc3cccc(C)c3)s2)n1 ZINC000009431803 569534308 /nfs/dbraw/zinc/53/43/08/569534308.db2.gz SVVROCLDDCFSAR-UHFFFAOYSA-N -1 1 438.003 4.947 50 0 IJAAMM COc1ccc(-c2cc(=O)c3cc([N-]S(=O)(=O)c4ccc(Cl)cc4)ccc3o2)cc1 ZINC000009572644 569547859 /nfs/dbraw/zinc/54/78/59/569547859.db2.gz VYWRSZNWRHETCL-UHFFFAOYSA-N -1 1 441.892 4.923 50 0 biogenic IJAAMM CCc1cc2c(cc1S(=O)(=O)[N-]c1cccc(OC)c1)[nH]c1c2C(=O)CC(C)(C)C1 ZINC000009685754 569560697 /nfs/dbraw/zinc/56/06/97/569560697.db2.gz SSJBMBJLSOCJFC-UHFFFAOYSA-N -1 1 426.538 4.695 50 0 IJAAMM C[C@@H](C1CC1)N(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000012785508 524320170 /nfs/dbraw/zinc/32/01/70/524320170.db2.gz IBCKJEBNSDZDKF-LBPRGKRZSA-N -1 1 427.353 4.665 50 0 IJAAMM Cc1cccc(N2C(=O)CS[C@H]2c2cccc([N-]S(=O)(=O)c3ccc(F)cc3)c2)c1 ZINC000035910503 524534217 /nfs/dbraw/zinc/53/42/17/524534217.db2.gz GIRGHBIMYGCNEM-QFIPXVFZSA-N -1 1 442.537 4.714 50 0 IJAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)Nc2nc3ccccc3s2)c1 ZINC000012536183 525272670 /nfs/dbraw/zinc/27/26/70/525272670.db2.gz NFCWPBRUXHOOHM-UHFFFAOYSA-N -1 1 437.546 4.966 50 0 IJAAMM Cc1ccc(Sc2ccc([N-]S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)cc2)c(C)c1 ZINC000012604633 525673354 /nfs/dbraw/zinc/67/33/54/525673354.db2.gz NRYNNLZOCWOIFA-UHFFFAOYSA-N -1 1 440.546 4.700 50 0 IJAAMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H]2CCSc3c(F)cccc32)cc1 ZINC000012622340 525787782 /nfs/dbraw/zinc/78/77/82/525787782.db2.gz VKORBIJJSQGBMO-QGZVFWFLSA-N -1 1 428.558 4.799 50 0 IJAAMM O=C1CS[C@H](c2cccc([N-]S(=O)(=O)c3ccc(F)cc3)c2)N1c1ccc(F)cc1 ZINC000035910277 527016546 /nfs/dbraw/zinc/01/65/46/527016546.db2.gz QUEOKEMFJUWGLN-OAQYLSRUSA-N -1 1 446.500 4.544 50 0 IJAAMM O=C1C[C@@H](c2ccc(F)cc2F)c2c(=O)[n-]c(SCc3ccc(Cl)cc3)nc2N1 ZINC000021784923 527022541 /nfs/dbraw/zinc/02/25/41/527022541.db2.gz OOYBEIYODJNRCS-AWEZNQCLSA-N -1 1 433.867 4.880 50 0 IJAAMM O=S(=O)([N-]c1cccc(-c2ccc(N3CCCCCC3)nn2)c1)c1ccc(Cl)cc1 ZINC000020554880 527251641 /nfs/dbraw/zinc/25/16/41/527251641.db2.gz CPSQUUGAIKHHOT-UHFFFAOYSA-N -1 1 442.972 4.978 50 0 IJAAMM COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cc2)cc1 ZINC000001140467 555649710 /nfs/dbraw/zinc/64/97/10/555649710.db2.gz MZNCLUOUKSDUOJ-AWNIVKPZSA-N -1 1 436.533 4.765 50 0 IJAAMM O=S(=O)([N-]c1ccc(-c2cn3ccccc3n2)cc1)c1ccc(Br)cc1 ZINC000001183288 555673125 /nfs/dbraw/zinc/67/31/25/555673125.db2.gz MHQBLSSAQJNGOO-UHFFFAOYSA-N -1 1 428.311 4.565 50 0 IJAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccco4)c3[C@H]2c2cccc(F)c2)cc1 ZINC000008595787 556190635 /nfs/dbraw/zinc/19/06/35/556190635.db2.gz XAPSHNNUKFNVGA-JOCHJYFZSA-N -1 1 431.423 4.735 50 0 IJAAMM COc1cc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc(Br)c1[O-] ZINC000032721124 556528789 /nfs/dbraw/zinc/52/87/89/556528789.db2.gz UBWBFTUIJMVMSV-UHFFFAOYSA-N -1 1 444.310 4.792 50 0 IJAAMM O=C1C[C@@H](c2ccc(OCCc3ccccc3)cc2)c2c(=O)[n-]c(-c3ccccc3)nc2N1 ZINC000013593276 556531223 /nfs/dbraw/zinc/53/12/23/556531223.db2.gz FGMYBOJRKKMEST-QFIPXVFZSA-N -1 1 437.499 4.533 50 0 IJAAMM COc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1Cl ZINC000016310530 556599332 /nfs/dbraw/zinc/59/93/32/556599332.db2.gz KEIVREZSUXWOHA-UHFFFAOYSA-N -1 1 430.913 4.710 50 0 IJAAMM CCCN(CCC)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000033797401 556636110 /nfs/dbraw/zinc/63/61/10/556636110.db2.gz TXKSOUSMZOMWQS-UHFFFAOYSA-N -1 1 428.476 4.768 50 0 IJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(NC(=O)c4ccccc4)sc3c2)cc1C ZINC000033007654 556656591 /nfs/dbraw/zinc/65/65/91/556656591.db2.gz WEQBGLHULUMRLH-UHFFFAOYSA-N -1 1 437.546 4.966 50 0 IJAAMM Cc1nc(-n2nc(-c3cccs3)cc2NC(=O)CCC2CCCCC2)[n-]c(=O)c1C ZINC000011854876 556661670 /nfs/dbraw/zinc/66/16/70/556661670.db2.gz CFCVSHBIMKNNHY-UHFFFAOYSA-N -1 1 425.558 4.600 50 0 IJAAMM O=C(Nn1c(=O)c2c([n-]c1=S)sc1c2CCCCC1)c1csc2c1CCCC2 ZINC000017097686 556661987 /nfs/dbraw/zinc/66/19/87/556661987.db2.gz QIGRDDRJMAEVDR-UHFFFAOYSA-N -1 1 431.608 4.714 50 0 IJAAMM O=C(c1ccccc1)N1CCCc2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc21 ZINC000017178273 557037797 /nfs/dbraw/zinc/03/77/97/557037797.db2.gz YYSSEGGMHGXNHB-UHFFFAOYSA-N -1 1 426.925 4.734 50 0 IJAAMM O=C(CCC(=O)c1cccs1)Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000023150433 557068883 /nfs/dbraw/zinc/06/88/83/557068883.db2.gz XVXVEIXATHRZGI-UHFFFAOYSA-N -1 1 448.953 4.804 50 0 IJAAMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3cccs3)c2)cc1OCC ZINC000024103339 557137436 /nfs/dbraw/zinc/13/74/36/557137436.db2.gz IFYDQSNKKFFTPA-UHFFFAOYSA-N -1 1 446.550 4.599 50 0 IJAAMM O=C1COc2ccc(S(=O)(=O)[N-]c3ccccc3Sc3ccc(Cl)cc3)cc2N1 ZINC000024262834 557142442 /nfs/dbraw/zinc/14/24/42/557142442.db2.gz QXYPPGFWSSMPKX-UHFFFAOYSA-N -1 1 446.937 4.623 50 0 IJAAMM Cc1[nH]c2ccccc2c1[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C([O-])=C2ON1c1ccccc1 ZINC000101102719 557255699 /nfs/dbraw/zinc/25/56/99/557255699.db2.gz LSSSCLSZTSZTQM-VXNXHJTFSA-N -1 1 441.462 4.667 50 0 IJAAMM CCCCc1c(C)nc2[n-]c(N(Cc3ccc(C)cc3)C(=O)c3cccc(C)c3)nn2c1=O ZINC000101861444 557304006 /nfs/dbraw/zinc/30/40/06/557304006.db2.gz JGRWSKLCIKXFKU-UHFFFAOYSA-N -1 1 443.551 4.532 50 0 IJAAMM CCCOc1ccccc1[C@H]1CC(=O)Nc2nc(SCc3ccc(C)cc3)[n-]c(=O)c21 ZINC000086057247 568642394 /nfs/dbraw/zinc/64/23/94/568642394.db2.gz HQNAZUHPKQTSLQ-GOSISDBHSA-N -1 1 435.549 4.634 50 0 IJAAMM CCOc1cccc([C@@H]2CC(=O)Nc3nc(SCc4cccc(Cl)c4)[n-]c(=O)c32)c1 ZINC000086057501 568642821 /nfs/dbraw/zinc/64/28/21/568642821.db2.gz SJDCIVJQDXWSSJ-KRWDZBQOSA-N -1 1 441.940 4.588 50 0 IJAAMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)NCc2ccco2)cc1 ZINC000015269773 568753616 /nfs/dbraw/zinc/75/36/16/568753616.db2.gz TYWMOXCXPPHHAT-UHFFFAOYSA-N -1 1 426.538 4.616 50 0 IJAAMM CC(=O)N1CC2=C(C1=O)[C@@H](c1ccc([O-])c(Cl)c1)c1cn(C(C)C)c3cccc(c13)N2 ZINC000263586143 568759344 /nfs/dbraw/zinc/75/93/44/568759344.db2.gz QPJJHOLZIAKBSD-NRFANRHFSA-N -1 1 435.911 4.781 50 0 biogenic IJAAMM O=S(=O)([N-]c1ccc(-c2ccno2)cc1)c1ccc(-c2cc(C(F)(F)F)n[nH]2)s1 ZINC000085664804 568833857 /nfs/dbraw/zinc/83/38/57/568833857.db2.gz HOSOXWVVKTUTNI-UHFFFAOYSA-N -1 1 440.428 4.613 50 0 IJAAMM Cc1sc(-c2noc(C3CC3)n2)cc1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1 ZINC000064844681 568971870 /nfs/dbraw/zinc/97/18/70/568971870.db2.gz KNOTXXLKZNAZDG-UHFFFAOYSA-N -1 1 445.444 4.683 50 0 IJAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCN(c4cccc(C)c4)[C@@H](C)C2)nc3=O)cc1 ZINC000169757210 569093895 /nfs/dbraw/zinc/09/38/95/569093895.db2.gz ZEPVAZHGPGNHOJ-SFHVURJKSA-N -1 1 430.577 4.984 50 0 IJAAMM Cc1ccc(SCC(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000036391391 569097325 /nfs/dbraw/zinc/09/73/25/569097325.db2.gz KBZYEYWZEWXEET-UHFFFAOYSA-N -1 1 426.563 4.835 50 0 IJAAMM COc1ccc(Br)cc1-c1nc(CSc2nc(C)c(C)c(=O)[n-]2)c(C)o1 ZINC000016841324 569163270 /nfs/dbraw/zinc/16/32/70/569163270.db2.gz FIVWPCLFBMYJJG-UHFFFAOYSA-N -1 1 436.331 4.826 50 0 IJAAMM COc1ccc(-c2cc(=O)[n-]c(SCc3nc(-c4ccccc4Cl)no3)n2)cc1 ZINC000016954641 569167653 /nfs/dbraw/zinc/16/76/53/569167653.db2.gz IDZSVKMXSLRJGZ-UHFFFAOYSA-N -1 1 426.885 4.854 50 0 IJAAMM O=S(=O)([N-]c1ccc(I)cc1)c1ccc(-c2ccccc2)cc1 ZINC000000888016 569263006 /nfs/dbraw/zinc/26/30/06/569263006.db2.gz XKXPVQQPDNKHHR-UHFFFAOYSA-N -1 1 435.286 4.759 50 0 IJAAMM COc1ccccc1[C@@H]1[C@H]2C(=O)N(c3cccc(Cl)c3C)C([O-])=C2ON1c1ccccc1 ZINC000095483668 569374593 /nfs/dbraw/zinc/37/45/93/569374593.db2.gz LBRWZPVCECDHRK-ZLNRFVROSA-N -1 1 448.906 4.708 50 0 IJAAMM COc1ccc(OC)c([C@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccccc5)oc-4c32)c1 ZINC000096114676 569383035 /nfs/dbraw/zinc/38/30/35/569383035.db2.gz IHNYENWLENYRMS-QGZVFWFLSA-N -1 1 444.439 4.624 50 0 biogenic IJAAMM Cc1nc(SCc2ccccc2)[n-]c(=O)c1CCC(=O)Nc1ccccc1N1CCCC1 ZINC000028010287 569406258 /nfs/dbraw/zinc/40/62/58/569406258.db2.gz XJGBQXUMKHLGKT-UHFFFAOYSA-N -1 1 448.592 4.542 50 0 IJAAMM Cc1ccc(NC(=O)C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000029896902 569438291 /nfs/dbraw/zinc/43/82/91/569438291.db2.gz AKOJWHQGBIHBFY-UHFFFAOYSA-N -1 1 425.348 4.543 50 0 IJAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCc4ccccc43)c2)cc1C ZINC000003217410 569441846 /nfs/dbraw/zinc/44/18/46/569441846.db2.gz XKSJITIZFNFYCK-UHFFFAOYSA-N -1 1 440.952 4.961 50 0 IJAAMM CCCN1c2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2OCC(C)(C)C1=O ZINC000009167399 569508987 /nfs/dbraw/zinc/50/89/87/569508987.db2.gz WOTXDYBWPVVHBO-UHFFFAOYSA-N -1 1 444.597 4.947 50 0 IJAAMM COc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1C(=O)N1CCCCCC1 ZINC000009356155 569525406 /nfs/dbraw/zinc/52/54/06/569525406.db2.gz OKHJLLIZRCVIQK-UHFFFAOYSA-N -1 1 438.549 4.665 50 0 IJAAMM COc1ccc(S(=O)(=O)[N-]c2cc(-c3nc4cccnc4s3)ccc2C)cc1F ZINC000009403990 569529545 /nfs/dbraw/zinc/52/95/45/569529545.db2.gz ABNGDQRKNSDZHV-UHFFFAOYSA-N -1 1 429.498 4.615 50 0 IJAAMM Cc1ccc(OCCCSc2nc(-c3ccccc3Cl)nc3cc(=O)[n-]n32)cc1C ZINC000009640805 569555451 /nfs/dbraw/zinc/55/54/51/569555451.db2.gz GLDXSROKTWIUKH-UHFFFAOYSA-N -1 1 440.956 4.916 50 0 IJAAMM Cc1nc2ccccc2c(=O)n1-c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000009707402 569561483 /nfs/dbraw/zinc/56/14/83/569561483.db2.gz XWAJNIGBSHVNAV-UHFFFAOYSA-N -1 1 441.512 4.648 50 0 IJAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)c2cccs2)c1 ZINC000008608653 132287627 /nfs/dbraw/zinc/28/76/27/132287627.db2.gz LXVYIALOLPBIPY-UHFFFAOYSA-N -1 1 426.563 4.759 50 0 aggregator IJAAMM O=S(=O)([N-]c1cccc(-c2ccc(N3CCCCC3)nn2)c1)c1ccc(Cl)cc1 ZINC000009529560 132320690 /nfs/dbraw/zinc/32/06/90/132320690.db2.gz WGDCKOFOTHUNLT-UHFFFAOYSA-N -1 1 428.945 4.588 50 0 IJAAMM CC(C)Oc1ccccc1[C@@H]1CC(=O)Nc2nc(SCc3ccccc3F)[n-]c(=O)c21 ZINC000021784549 519784895 /nfs/dbraw/zinc/78/48/95/519784895.db2.gz URXYFQXXPDNVFI-INIZCTEOSA-N -1 1 439.512 4.875 50 0 IJAAMM CC(C)c1cc(=O)[n-]c(-n2nc(C3CC3)cc2NC(=O)c2ccc(Cl)cc2Cl)n1 ZINC000012126121 519831004 /nfs/dbraw/zinc/83/10/04/519831004.db2.gz LDCQFEADEUOTPZ-UHFFFAOYSA-N -1 1 432.311 4.516 50 0 IJAAMM CCC(=O)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@H]1c1ccccc1 ZINC000035684042 521166674 /nfs/dbraw/zinc/16/66/74/521166674.db2.gz AUNAENDQDHCUJT-QHCPKHFHSA-N -1 1 433.533 4.575 50 0 IJAAMM CC[C@H]1c2ccsc2CCN1C(=O)CCn1c(=S)[n-]nc1-c1ccc(OC)cc1 ZINC000012794189 523446043 /nfs/dbraw/zinc/44/60/43/523446043.db2.gz LJXSHAKCIKZZNY-KRWDZBQOSA-N -1 1 428.583 4.604 50 0 IJAAMM Cc1ccc(N2C(=O)CS[C@H]2c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1C ZINC000035912493 524920275 /nfs/dbraw/zinc/92/02/75/524920275.db2.gz CTWNNEXPMCXRFT-QHCPKHFHSA-N -1 1 438.574 4.883 50 0 IJAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(Sc3ccccn3)c(Cl)c2)cc1OC ZINC000012371354 525084871 /nfs/dbraw/zinc/08/48/71/525084871.db2.gz BIBHTOTWRJMXAZ-UHFFFAOYSA-N -1 1 436.942 4.704 50 0 IJAAMM Cc1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1S(=O)(=O)[N-]c1ccc(SC(F)F)cc1 ZINC000012535942 525207183 /nfs/dbraw/zinc/20/71/83/525207183.db2.gz SCQJKUZYHGPTIK-MLGOLLRUSA-N -1 1 426.510 4.705 50 0 IJAAMM C[C@H](c1ccccc1)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000012536239 526090310 /nfs/dbraw/zinc/09/03/10/526090310.db2.gz SYPUITBWPKCPTL-OAHLLOKOSA-N -1 1 430.476 4.599 50 0 IJAAMM O=C1C[C@@H](c2cc(F)cc(F)c2)c2c(=O)[n-]c(SCc3cccc(Cl)c3)nc2N1 ZINC000021784851 527022597 /nfs/dbraw/zinc/02/25/97/527022597.db2.gz SDQJXASYAWRTIB-HNNXBMFYSA-N -1 1 433.867 4.880 50 0 IJAAMM Cc1nc2cc(NC(=O)c3cccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)c3)ccc2o1 ZINC000012746151 527130064 /nfs/dbraw/zinc/13/00/64/527130064.db2.gz NFQWYBJBNCKFJB-UHFFFAOYSA-N -1 1 441.896 4.843 50 0 IJAAMM Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCC(C(=O)c4ccc([O-])cc4)CC3)cc12 ZINC000012798451 527555974 /nfs/dbraw/zinc/55/59/74/527555974.db2.gz WRDZFYBTIGDNHH-UHFFFAOYSA-N -1 1 445.544 4.836 50 0 IJAAMM O=C([O-])[C@@H](c1c[nH]c2ccc(Cl)cc21)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000012325082 527656344 /nfs/dbraw/zinc/65/63/44/527656344.db2.gz IJELLDCFTOGCFF-LJQANCHMSA-N -1 1 437.849 4.788 50 0 IJAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)NCCC3=CCCCC3)cc2)cc1 ZINC000001123684 555639444 /nfs/dbraw/zinc/63/94/44/555639444.db2.gz DXXCKCFOIGJSMV-UHFFFAOYSA-N -1 1 426.582 4.735 50 0 IJAAMM O=C(CSc1nc(-c2ccccc2)cc(=O)[n-]1)Nc1ccc(Oc2ccccc2)cc1 ZINC000008950609 556235801 /nfs/dbraw/zinc/23/58/01/556235801.db2.gz LBDWYNZPCRTNJX-UHFFFAOYSA-N -1 1 429.501 4.960 50 0 IJAAMM O=c1ccc2cc(S(=O)(=O)[N-]c3cccc(-c4nc5ccccc5s4)c3)ccc2o1 ZINC000032754928 556324415 /nfs/dbraw/zinc/32/44/15/556324415.db2.gz NIJNVUKCJTXIEB-UHFFFAOYSA-N -1 1 434.498 4.871 50 0 IJAAMM CCOc1ccc(-c2noc(CSc3nc(-c4ccccc4)cc(=O)[n-]3)n2)cc1OC ZINC000038654256 556653932 /nfs/dbraw/zinc/65/39/32/556653932.db2.gz UQDMDGFGDARGLA-UHFFFAOYSA-N -1 1 436.493 4.599 50 0 IJAAMM Cc1ccc(S(=O)(=O)[N-]c2cc3sc(NC(=O)c4ccccc4)nc3c(C)c2)cc1 ZINC000033007814 556656744 /nfs/dbraw/zinc/65/67/44/556656744.db2.gz UDPWUKARDDEYFG-UHFFFAOYSA-N -1 1 437.546 4.966 50 0 IJAAMM CC(C)(C)CC(=O)Nc1cc(-c2cccs2)nn1-c1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000011855216 556662003 /nfs/dbraw/zinc/66/20/03/556662003.db2.gz DDNVRXATUYMOMY-UHFFFAOYSA-N -1 1 433.537 4.726 50 0 IJAAMM CC(C)c1cc(=O)[n-]c(-n2nc(-c3cccs3)cc2NC(=O)CCCc2ccccc2)n1 ZINC000011855638 556662116 /nfs/dbraw/zinc/66/21/16/556662116.db2.gz SHMSSRJPRPUURY-UHFFFAOYSA-N -1 1 447.564 4.769 50 0 IJAAMM O=C(CSc1nc(-c2ccccc2)cc(=O)[n-]1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000018276214 556689066 /nfs/dbraw/zinc/68/90/66/556689066.db2.gz BJVMWQAHUGXTID-UHFFFAOYSA-N -1 1 439.846 4.840 50 0 IJAAMM O=c1nc(N2CCN(c3ccccc3F)CC2)[n-]c2c(-c3ccccc3Cl)csc21 ZINC000048986620 556702852 /nfs/dbraw/zinc/70/28/52/556702852.db2.gz MRIPODMHWNXHMH-UHFFFAOYSA-N -1 1 440.931 4.771 50 0 IJAAMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2cccs2)CC3)cc1 ZINC000013696245 556712278 /nfs/dbraw/zinc/71/22/78/556712278.db2.gz IPMHOCSMLIVGBP-UHFFFAOYSA-N -1 1 426.563 4.875 50 0 IJAAMM COc1ccccc1NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000033040312 556731965 /nfs/dbraw/zinc/73/19/65/556731965.db2.gz YZXFLQWPLDZGTG-UHFFFAOYSA-N -1 1 431.901 4.793 50 0 IJAAMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1cccc(F)c1 ZINC000003229801 556805987 /nfs/dbraw/zinc/80/59/87/556805987.db2.gz ASADHCRDDDUJEX-UHFFFAOYSA-N -1 1 438.402 4.898 50 0 IJAAMM COc1cccc(CSc2nc(C)c(CC(=O)Nc3cccc(Cl)c3C)c(=O)[n-]2)c1 ZINC000023138568 557021604 /nfs/dbraw/zinc/02/16/04/557021604.db2.gz VJAXQOAQOYULAX-UHFFFAOYSA-N -1 1 443.956 4.522 50 0 IJAAMM CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000033297876 557073535 /nfs/dbraw/zinc/07/35/35/557073535.db2.gz FDQYBSGQWDROAE-KAMYIIQDSA-N -1 1 439.537 4.920 50 0 IJAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3cccc4ncccc43)c2)cc1C ZINC000024757034 557163677 /nfs/dbraw/zinc/16/36/77/557163677.db2.gz HOOHKOALCXTDDN-UHFFFAOYSA-N -1 1 431.517 4.905 50 0 IJAAMM COc1ccccc1[C@@H]1CC(c2c(=O)[nH]c(=S)n(C)c2[O-])=Nc2ccccc2S1 ZINC000101495028 557288510 /nfs/dbraw/zinc/28/85/10/557288510.db2.gz FSLWEEDZRLHPTP-KRWDZBQOSA-N -1 1 425.535 4.515 50 0 IJAAMM CCCCn1c(=O)[nH]c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccc(C)s3)C2)c1=O ZINC000101766573 557295836 /nfs/dbraw/zinc/29/58/36/557295836.db2.gz KCNJWDMQCNVQBY-GOSISDBHSA-N -1 1 441.578 4.770 50 0 IJAAMM CCCCc1c(C)nc2[n-]c(N(Cc3ccc(Cl)cc3)C(=O)c3ccccc3)nn2c1=O ZINC000101861346 557303917 /nfs/dbraw/zinc/30/39/17/557303917.db2.gz WLDKFQVISQKHJF-UHFFFAOYSA-N -1 1 449.942 4.569 50 0 IJAAMM COc1cc(C(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)c([O-])c2)cc(OC)c1OC ZINC000013123673 562984731 /nfs/dbraw/zinc/98/47/31/562984731.db2.gz JIECBCGSINDONV-UHFFFAOYSA-N -1 1 434.448 4.787 50 0 IJAAMM COc1ccc(-c2cc(C[N-]S(=O)(=O)c3cc(Cl)c(Cl)cc3Cl)on2)cc1 ZINC000001398140 568785694 /nfs/dbraw/zinc/78/56/94/568785694.db2.gz CBYGLAFGQFUIKP-UHFFFAOYSA-N -1 1 447.727 4.789 50 0 IJAAMM COc1c2c(cc([C@@H]3SC(C)=Nc4c3c(=O)[n-]n4C3CCCCCC3)c1OC)OCO2 ZINC000085411892 568818013 /nfs/dbraw/zinc/81/80/13/568818013.db2.gz UORPMEJPVYECHZ-FQEVSTJZSA-N -1 1 445.541 4.704 50 0 IJAAMM C[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000015796624 568838956 /nfs/dbraw/zinc/83/89/56/568838956.db2.gz ZTXLEZOICKETDZ-CQSZACIVSA-N -1 1 426.460 4.521 50 0 IJAAMM O=S(=O)([N-]c1ccc(-c2ccc(N3CCCCC3)nn2)cc1)c1ccc2c(c1)CCCC2 ZINC000015882234 568856808 /nfs/dbraw/zinc/85/68/08/568856808.db2.gz MUQMJTILDVOZJJ-UHFFFAOYSA-N -1 1 448.592 4.814 50 0 IJAAMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)NC2CCCCC2)c1 ZINC000064862221 568974080 /nfs/dbraw/zinc/97/40/80/568974080.db2.gz GWGGVBZMXDPLDZ-UHFFFAOYSA-N -1 1 427.570 4.509 50 0 IJAAMM CC1(C)CN(C(=O)C2CC2)c2ccc(S(=O)(=O)[N-]c3ccc(C(F)(F)F)cc3)cc21 ZINC000065021318 569088789 /nfs/dbraw/zinc/08/87/89/569088789.db2.gz AKEWYRGVORLOAI-UHFFFAOYSA-N -1 1 438.471 4.540 50 0 IJAAMM NC(=O)CSc1ccccc1[N-]S(=O)(=O)c1ccc(Oc2ccccc2)c(Cl)c1 ZINC000170617452 569147356 /nfs/dbraw/zinc/14/73/56/569147356.db2.gz PVFLNNBPLSYOHU-UHFFFAOYSA-N -1 1 448.953 4.511 50 0 IJAAMM CC1=Nc2c(c(=O)[n-]n2C2CCCCCCC2)[C@@H](c2ccc(S(C)(=O)=O)cc2)S1 ZINC000071285685 569150920 /nfs/dbraw/zinc/15/09/20/569150920.db2.gz JFXYWVNYFHCFPL-LJQANCHMSA-N -1 1 433.599 4.751 50 0 IJAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1NC(=O)COc1ccccc1C ZINC000089696684 569161401 /nfs/dbraw/zinc/16/14/01/569161401.db2.gz NIEQGWTWPHUDAJ-UHFFFAOYSA-N -1 1 444.940 4.775 50 0 IJAAMM Cc1ccc(C(=O)Nc2cnc3ccccc3c2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000170642714 569185641 /nfs/dbraw/zinc/18/56/41/569185641.db2.gz LSOYBZUYJLSSFV-UHFFFAOYSA-N -1 1 435.480 4.735 50 0 IJAAMM Cc1nn2c(-c3cccc([N-]S(=O)(=O)c4ccc(Cl)cc4)c3)nnc2c2ccccc12 ZINC000002263963 569216053 /nfs/dbraw/zinc/21/60/53/569216053.db2.gz NKBHHIPGOPXDDH-UHFFFAOYSA-N -1 1 449.923 4.707 50 0 IJAAMM CCOC(=O)C1=C(NC(=O)COc2ccc3ccccc3c2)[N-]c2ccccc2N=C1CC ZINC000013038270 569307798 /nfs/dbraw/zinc/30/77/98/569307798.db2.gz RVOGELDKWYSNKJ-UHFFFAOYSA-N -1 1 443.503 4.718 50 0 IJAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3ccc(OC)cc3)CC(=O)O4)c2=O)cc1 ZINC000079192209 569328038 /nfs/dbraw/zinc/32/80/38/569328038.db2.gz FQGFKWJTQCGTME-GOSISDBHSA-N -1 1 444.439 4.624 50 0 biogenic IJAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2ccc(OC)cc2)cc1 ZINC000079192209 569328039 /nfs/dbraw/zinc/32/80/39/569328039.db2.gz FQGFKWJTQCGTME-GOSISDBHSA-N -1 1 444.439 4.624 50 0 biogenic IJAAMM COc1cccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccccc5)oc-4c32)c1OC ZINC000096114705 569383077 /nfs/dbraw/zinc/38/30/77/569383077.db2.gz DXOGXOYFLLCTFO-INIZCTEOSA-N -1 1 444.439 4.624 50 0 biogenic IJAAMM O=C(CSc1nnc(Cc2cccs2)n1C1CCCCC1)c1ccc([O-])cc1O ZINC000002633628 569412659 /nfs/dbraw/zinc/41/26/59/569412659.db2.gz QAAVKXSIYVEKQK-UHFFFAOYSA-N -1 1 429.567 4.822 50 0 IJAAMM COc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2ccc(C)cn2)cc1Cl ZINC000067294411 569467914 /nfs/dbraw/zinc/46/79/14/569467914.db2.gz RIELTBSBRLVPAC-RWEWTDSWSA-N -1 1 435.867 4.989 50 0 IJAAMM CCOC(=O)c1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2cccc(C)n2)cc1 ZINC000067297899 569468111 /nfs/dbraw/zinc/46/81/11/569468111.db2.gz GXKHWGWPKPYTQY-PNHLSOANSA-N -1 1 443.459 4.503 50 0 IJAAMM O=C(NCc1ccco1)c1cc2ccc([O-])cc2o/c1=N\c1ccccc1C(F)(F)F ZINC000067299285 569468163 /nfs/dbraw/zinc/46/81/63/569468163.db2.gz PZYFROMWFDHHCL-MEFGMAGPSA-N -1 1 428.366 4.913 50 0 IJAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3nc(C(C)(C)C)cs3)cc2)cc1 ZINC000008584346 569469125 /nfs/dbraw/zinc/46/91/25/569469125.db2.gz KGWITARKXRROPF-UHFFFAOYSA-N -1 1 445.566 4.502 50 0 IJAAMM CCCN1c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cc2OCC(C)(C)C1=O ZINC000009167634 569508978 /nfs/dbraw/zinc/50/89/78/569508978.db2.gz JGIYAPMAAUGPSF-UHFFFAOYSA-N -1 1 442.581 4.528 50 0 IJAAMM CCC(=O)N1N=C(c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C[C@H]1c1cccs1 ZINC000009489586 569539991 /nfs/dbraw/zinc/53/99/91/569539991.db2.gz BJCACWVEQNCWOP-FQEVSTJZSA-N -1 1 439.562 4.637 50 0 IJAAMM CCc1ccc(OCCCSc2nc(-c3ccccc3Cl)nc3cc(=O)[n-]n32)cc1 ZINC000009640814 569555498 /nfs/dbraw/zinc/55/54/98/569555498.db2.gz GHNNSFLFUFOFNW-UHFFFAOYSA-N -1 1 440.956 4.862 50 0 IJAAMM Cc1cc(OCCCSc2nc(-c3cccs3)nc3cc(=O)[n-]n32)cc(C)c1Cl ZINC000009641427 569555646 /nfs/dbraw/zinc/55/56/46/569555646.db2.gz OSSNJYORTYIJOP-UHFFFAOYSA-N -1 1 446.985 4.978 50 0 IJAAMM CC[C@H](NC(=O)CCc1c(C)nc(SCc2ccccc2)[n-]c1=O)c1ccc(C)cc1 ZINC000012814277 522376541 /nfs/dbraw/zinc/37/65/41/522376541.db2.gz BUFRVRLXUOVNKJ-QFIPXVFZSA-N -1 1 435.593 4.879 50 0 IJAAMM COc1ccc(-c2nc(CSc3nc(-c4cccnc4)cc(=O)[n-]3)c(C)o2)c(OC)c1 ZINC000035480807 523214046 /nfs/dbraw/zinc/21/40/46/523214046.db2.gz MCYKKQLLNPZHFQ-UHFFFAOYSA-N -1 1 436.493 4.517 50 0 IJAAMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c1 ZINC000012525565 524115826 /nfs/dbraw/zinc/11/58/26/524115826.db2.gz ATLNDGDYSPHLJZ-UHFFFAOYSA-N -1 1 446.580 4.589 50 0 IJAAMM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1)[nH]c1c2C(=O)CCC1 ZINC000020990299 525615462 /nfs/dbraw/zinc/61/54/62/525615462.db2.gz HUUVHONLLBFYQQ-UHFFFAOYSA-N -1 1 438.427 4.695 50 0 IJAAMM Cc1ccc(-c2csc(Cc3nc([O-])c(CC(=O)Nc4ccccc4F)s3)n2)cc1 ZINC000012797465 525778794 /nfs/dbraw/zinc/77/87/94/525778794.db2.gz DGJJKQBYTYBJTN-GOSISDBHSA-N -1 1 439.537 4.869 50 0 IJAAMM O=C(Cc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000000681565 555537505 /nfs/dbraw/zinc/53/75/05/555537505.db2.gz ARGGTBKGWNCCQR-UHFFFAOYSA-N -1 1 435.332 4.975 50 0 IJAAMM CC(C)(C)c1ccc(-c2[nH]nc([N-]S(=O)(=O)c3ccccc3)c2Br)cc1 ZINC000001037332 555608381 /nfs/dbraw/zinc/60/83/81/555608381.db2.gz RCLIFWCYMQCFAV-UHFFFAOYSA-N -1 1 434.359 4.938 50 0 IJAAMM O=C(Nc1ccc(Br)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000001110624 555631362 /nfs/dbraw/zinc/63/13/62/555631362.db2.gz QITMJXXRJLWYHA-UHFFFAOYSA-N -1 1 431.311 4.502 50 0 IJAAMM CO[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccccc1 ZINC000001142144 555650729 /nfs/dbraw/zinc/65/07/29/555650729.db2.gz QNTSATFTWSSLNK-XMMPIXPASA-N -1 1 446.528 4.967 50 0 aggregator IJAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3nc(C(C)C)cs3)cc2)c1 ZINC000010556741 555987048 /nfs/dbraw/zinc/98/70/48/555987048.db2.gz HPSPJLQEXKMDNL-UHFFFAOYSA-N -1 1 429.567 4.936 50 0 IJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(Br)cc3)cc2)cc1 ZINC000008754229 556210577 /nfs/dbraw/zinc/21/05/77/556210577.db2.gz ZJPVFFYUDNLREG-UHFFFAOYSA-N -1 1 445.338 4.811 50 0 IJAAMM CCCOc1ccc(-c2nsc([N-]C(=O)c3ccc(Br)o3)n2)cc1OC ZINC000028286879 556447656 /nfs/dbraw/zinc/44/76/56/556447656.db2.gz NWVXCOCZORPJAE-UHFFFAOYSA-N -1 1 438.303 4.610 50 0 IJAAMM Cc1cccc(NC(=O)[C@H](C)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)c1 ZINC000013098094 556458829 /nfs/dbraw/zinc/45/88/29/556458829.db2.gz NSHIUNLISZBBCZ-INIZCTEOSA-N -1 1 443.956 4.888 50 0 IJAAMM CCCCSc1nc2c(c(=O)[n-]1)[C@@H](c1sccc1C)C(C(=O)OC(C)C)=C(C)N2 ZINC000013117840 556470742 /nfs/dbraw/zinc/47/07/42/556470742.db2.gz WKGDLDJEFKCQGH-HNNXBMFYSA-N -1 1 433.599 4.815 50 0 IJAAMM COc1ccccc1OCc1nc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[nH]1 ZINC000034799376 556582543 /nfs/dbraw/zinc/58/25/43/556582543.db2.gz WFBRYCDXWIWMQX-UHFFFAOYSA-N -1 1 443.912 4.605 50 0 IJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(NC(=O)c4ccccc4)sc3c2)c(C)c1 ZINC000033007652 556656486 /nfs/dbraw/zinc/65/64/86/556656486.db2.gz VNYDZSILQWCIEH-UHFFFAOYSA-N -1 1 437.546 4.966 50 0 IJAAMM CCC1=CO[C@](CC)([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)CC1 ZINC000013511956 556667668 /nfs/dbraw/zinc/66/76/68/556667668.db2.gz SCQXXMAARAHUFR-HZLPDVBGSA-N -1 1 432.520 4.618 50 0 IJAAMM O=C(Nc1ccc(Br)cc1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000001508336 556797624 /nfs/dbraw/zinc/79/76/24/556797624.db2.gz RBASCXWZXHCOJJ-UHFFFAOYSA-N -1 1 449.301 4.641 50 0 IJAAMM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000097954818 556850694 /nfs/dbraw/zinc/85/06/94/556850694.db2.gz KGRDTHKAUXVLSN-SDHSZQHLSA-N -1 1 442.515 4.917 50 0 IJAAMM COc1cc(NC(=O)c2cc3sc4ccccc4c3s2)ccc1[N-]S(C)(=O)=O ZINC000033069752 556851070 /nfs/dbraw/zinc/85/10/70/556851070.db2.gz JSXWBNTVHLICNE-UHFFFAOYSA-N -1 1 432.548 4.748 50 0 IJAAMM O=S(=O)([N-]c1ccc(-c2noc(-c3ccc(Br)o3)n2)cc1)c1ccccc1 ZINC000033122810 556863532 /nfs/dbraw/zinc/86/35/32/556863532.db2.gz NIZWOKYWYYBKJM-UHFFFAOYSA-N -1 1 446.282 4.560 50 0 IJAAMM O=C(Cc1cc(=O)[n-]c(SCc2ccc(F)cc2)n1)Nc1ccc(Cl)c(Cl)c1 ZINC000023138083 557018179 /nfs/dbraw/zinc/01/81/79/557018179.db2.gz ZNEWICNQPVFPML-UHFFFAOYSA-N -1 1 438.311 4.689 50 0 IJAAMM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(-c3cc4ccccc4o3)cc2)cc1 ZINC000001440669 557021075 /nfs/dbraw/zinc/02/10/75/557021075.db2.gz VKSBYJZHZDORDF-UHFFFAOYSA-N -1 1 434.517 4.579 50 0 IJAAMM O=C(c1ccccc1)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc21 ZINC000017178206 557037897 /nfs/dbraw/zinc/03/78/97/557037897.db2.gz BDOQSJSGEFQVDC-UHFFFAOYSA-N -1 1 444.915 4.873 50 0 IJAAMM O=S(=O)([N-]c1ccc(OC(F)(F)F)cc1)c1ccc2[nH]c(-c3ccccc3)nc2c1 ZINC000004732866 557050882 /nfs/dbraw/zinc/05/08/82/557050882.db2.gz DQYKHPNHDSMFPE-UHFFFAOYSA-N -1 1 433.411 4.929 50 0 IJAAMM COc1cc(-c2ccccc2)nc2ccc([N-]S(=O)(=O)c3ccc(NC(C)=O)cc3)cc21 ZINC000033292678 557075981 /nfs/dbraw/zinc/07/59/81/557075981.db2.gz JZNZGYZXBIXCQN-UHFFFAOYSA-N -1 1 447.516 4.670 50 0 IJAAMM CCCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(C(C)C)cc1)C(C(=O)OC)=C(C)N2 ZINC000100951114 557279688 /nfs/dbraw/zinc/27/96/88/557279688.db2.gz JTORNGPWERPYQQ-SFHVURJKSA-N -1 1 427.570 4.790 50 0 IJAAMM 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ZINC000085654787 568834061 /nfs/dbraw/zinc/83/40/61/568834061.db2.gz ISMIBPSAVPOZQB-UHFFFAOYSA-N -1 1 432.461 4.654 50 0 IJAAMM C[C@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000015796625 568838968 /nfs/dbraw/zinc/83/89/68/568838968.db2.gz ZTXLEZOICKETDZ-AWEZNQCLSA-N -1 1 426.460 4.521 50 0 IJAAMM CCc1ccc(S(=O)(=O)[N-]c2ccc3sc(NC(=O)c4ccccc4)nc3c2)cc1 ZINC000015870192 568851626 /nfs/dbraw/zinc/85/16/26/568851626.db2.gz PMBHZLUXVOYDDO-UHFFFAOYSA-N -1 1 437.546 4.912 50 0 IJAAMM COc1ccc([C@H]2C(S(=O)(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2ccc(C)cc2)cc1 ZINC000064557759 568931806 /nfs/dbraw/zinc/93/18/06/568931806.db2.gz BSPVQDLOLQJFCM-QFIPXVFZSA-N -1 1 449.528 4.643 50 0 IJAAMM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3ccccc3F)c2oc1C(=O)N1CCCCC1 ZINC000065010610 569088262 /nfs/dbraw/zinc/08/82/62/569088262.db2.gz DZYAAXVTBCHFRF-UHFFFAOYSA-N -1 1 444.528 4.924 50 0 IJAAMM CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2C)c1 ZINC000065115747 569106916 /nfs/dbraw/zinc/10/69/16/569106916.db2.gz CFPIYLOTBIORPP-UHFFFAOYSA-N -1 1 433.917 4.679 50 0 IJAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1NC(=O)c1ccccc1C ZINC000010060046 569152459 /nfs/dbraw/zinc/15/24/59/569152459.db2.gz HOHWVZYPCAQBMS-UHFFFAOYSA-N -1 1 448.903 4.849 50 0 IJAAMM Cc1cccc(-n2c3nnc([S-])n3c3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)c1 ZINC000002277597 569217943 /nfs/dbraw/zinc/21/79/43/569217943.db2.gz JZLDYFUDNOLZAT-UHFFFAOYSA-N -1 1 428.561 4.902 50 0 IJAAMM O=C([O-])C[C@@H]1c2cccnc2Oc2cc(O)c3c(=O)c(-c4ccc(Cl)cc4)coc3c21 ZINC000253400287 569264808 /nfs/dbraw/zinc/26/48/08/569264808.db2.gz DULZSECCWCBPIE-CQSZACIVSA-N -1 1 435.819 4.926 50 0 biogenic IJAAMM CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2cc(Cl)cc3c2OCOC3)S1 ZINC000096116683 569383843 /nfs/dbraw/zinc/38/38/43/569383843.db2.gz NZFNCZMJHHAUTC-RDTXWAMCSA-N -1 1 449.960 4.713 50 0 IJAAMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3nc(SC(C)C)sc3c2)cc1 ZINC000096399456 569400026 /nfs/dbraw/zinc/40/00/26/569400026.db2.gz IHYSWCXLAWJJGW-UHFFFAOYSA-N -1 1 435.596 4.946 50 0 IJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3CCC(C)C)cc1C ZINC000009169385 569509239 /nfs/dbraw/zinc/50/92/39/569509239.db2.gz UVAMRRUQXOOBQC-UHFFFAOYSA-N -1 1 444.597 4.902 50 0 IJAAMM COc1ccc(NC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2)cc1 ZINC000009641415 569555664 /nfs/dbraw/zinc/55/56/64/569555664.db2.gz YHTVWYAOCLXGMF-UHFFFAOYSA-N -1 1 446.528 4.830 50 0 IJAAMM CC(C)Oc1ccccc1[C@H]1CC(=O)Nc2nc(SCc3ccc(F)cc3)[n-]c(=O)c21 ZINC000021784546 519784822 /nfs/dbraw/zinc/78/48/22/519784822.db2.gz OOFSIARTQIHQFB-QGZVFWFLSA-N -1 1 439.512 4.875 50 0 IJAAMM CCC(=O)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@@H]1c1ccccc1C ZINC000035684001 521167112 /nfs/dbraw/zinc/16/71/12/521167112.db2.gz XNVRTYLHENLZDL-XMMPIXPASA-N -1 1 447.560 4.884 50 0 IJAAMM C[C@@H](NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)c1ccc(Cl)cc1 ZINC000012605277 525135884 /nfs/dbraw/zinc/13/58/84/525135884.db2.gz SVIUSLJRXZVIJD-OAHLLOKOSA-N -1 1 446.931 4.700 50 0 IJAAMM Cc1ccc(C(=O)Nc2nc3cc([N-]S(=O)(=O)c4ccc(C)cc4)ccc3s2)cc1 ZINC000033116478 526230059 /nfs/dbraw/zinc/23/00/59/526230059.db2.gz HVVNYIYDCVBQMV-UHFFFAOYSA-N -1 1 437.546 4.966 50 0 IJAAMM Cc1occc1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000012552394 526813874 /nfs/dbraw/zinc/81/38/74/526813874.db2.gz SYUTXJQKAPTOOM-UHFFFAOYSA-N -1 1 449.326 4.712 50 0 IJAAMM O=C1C[C@H](c2cc(F)ccc2F)c2c(=O)[n-]c(SCc3cccc(Cl)c3)nc2N1 ZINC000021785005 527031923 /nfs/dbraw/zinc/03/19/23/527031923.db2.gz NTJKUBYHHDBLIL-CQSZACIVSA-N -1 1 433.867 4.880 50 0 IJAAMM O=C(Nc1ccccc1O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000012507914 527429849 /nfs/dbraw/zinc/42/98/49/527429849.db2.gz FVGUCSCTUWFONP-UHFFFAOYSA-N -1 1 437.304 4.752 50 0 IJAAMM CO[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccccc1 ZINC000001142143 555650622 /nfs/dbraw/zinc/65/06/22/555650622.db2.gz QNTSATFTWSSLNK-DEOSSOPVSA-N -1 1 446.528 4.967 50 0 aggregator IJAAMM O=C(COc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000001149746 555655508 /nfs/dbraw/zinc/65/55/08/555655508.db2.gz PNKMCWAMFHNWCD-UHFFFAOYSA-N -1 1 432.501 4.658 50 0 IJAAMM COc1cccc(-n2c3nnc([S-])n3c3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)c1 ZINC000002296996 555766625 /nfs/dbraw/zinc/76/66/25/555766625.db2.gz HNRDJSPVGLZYHK-UHFFFAOYSA-N -1 1 444.560 4.603 50 0 IJAAMM COc1ccccc1NC(=S)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000013936085 556336066 /nfs/dbraw/zinc/33/60/66/556336066.db2.gz VIEGXMDLMYUMAV-UHFFFAOYSA-N -1 1 447.969 4.958 50 0 IJAAMM Cc1nc2cc(NC(=O)c3cccc(S(=O)(=O)[N-]c4cccc(Cl)c4)c3)ccc2o1 ZINC000014244320 556404200 /nfs/dbraw/zinc/40/42/00/556404200.db2.gz MLEJUOPCZDGJBD-UHFFFAOYSA-N -1 1 441.896 4.843 50 0 IJAAMM O=C([N-]c1nc(-c2ccc(Br)s2)ns1)c1ccc(Br)o1 ZINC000032593573 556407158 /nfs/dbraw/zinc/40/71/58/556407158.db2.gz CDFLYLLEBPMMPG-UHFFFAOYSA-N -1 1 435.122 4.637 50 0 IJAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCC4CCCCC4)CC3)cc2)c1 ZINC000033274765 556559224 /nfs/dbraw/zinc/55/92/24/556559224.db2.gz VDGVKYIXMAOBNZ-UHFFFAOYSA-N -1 1 440.609 4.832 50 0 IJAAMM Cc1ccc(C(=O)c2ccc(Br)cc2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000001196305 556574472 /nfs/dbraw/zinc/57/44/72/556574472.db2.gz YILUGHMTPIVGMW-UHFFFAOYSA-N -1 1 448.313 4.928 50 0 IJAAMM CCCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c3ccccc32)cc1 ZINC000016638549 556619449 /nfs/dbraw/zinc/61/94/49/556619449.db2.gz DONCJBXSACACQA-UHFFFAOYSA-N -1 1 427.522 4.996 50 0 IJAAMM Cc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Br)cc3)c2)cc1 ZINC000000823226 556699338 /nfs/dbraw/zinc/69/93/38/556699338.db2.gz NMDBVEZHEGHUIB-UHFFFAOYSA-N -1 1 445.338 4.811 50 0 IJAAMM COc1ccc(-c2csc3c2[n-]c(N2CCN(c4cc(C)ccc4C)CC2)nc3=O)cc1 ZINC000056987118 556746277 /nfs/dbraw/zinc/74/62/77/556746277.db2.gz OISWBHHYVPYYTC-UHFFFAOYSA-N -1 1 446.576 4.604 50 0 IJAAMM COc1cccc(CC(=O)Nc2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)ccc2C)c1 ZINC000024751231 557162647 /nfs/dbraw/zinc/16/26/47/557162647.db2.gz ZIUZDGFVWSPDPQ-UHFFFAOYSA-N -1 1 444.940 4.639 50 0 IJAAMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)Cc2ccc(C(C)(C)C)cc2)cc1 ZINC000018079930 557235384 /nfs/dbraw/zinc/23/53/84/557235384.db2.gz UXLVDNHFYKEZHL-UHFFFAOYSA-N -1 1 438.597 4.962 50 0 IJAAMM CCCOc1ccc([C@H]2CC(=O)Nc3nc(SCc4cccc(C)c4)[n-]c(=O)c32)cc1 ZINC000086057103 568642528 /nfs/dbraw/zinc/64/25/28/568642528.db2.gz VWIAJDFLWKBNOK-LJQANCHMSA-N -1 1 435.549 4.634 50 0 IJAAMM O=S(=O)([N-]c1cccc(-c2ccno2)c1)c1ccc(-c2cc(C(F)(F)F)n[nH]2)s1 ZINC000085664807 568833918 /nfs/dbraw/zinc/83/39/18/568833918.db2.gz ZSYOGCMSXYTWTN-UHFFFAOYSA-N -1 1 440.428 4.613 50 0 IJAAMM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1cc(F)c(F)cc1Cl ZINC000006147113 568846237 /nfs/dbraw/zinc/84/62/37/568846237.db2.gz FCMCXMPGCOADNL-UHFFFAOYSA-N -1 1 440.830 4.810 50 0 IJAAMM CCc1ccc([C@H]2C(S(=O)(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2ccccc2)cc1 ZINC000064558166 568932168 /nfs/dbraw/zinc/93/21/68/568932168.db2.gz WKFIDHBOYWWNBW-QFIPXVFZSA-N -1 1 433.529 4.889 50 0 IJAAMM Cc1c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2oc1-c1nc(-c2cccnc2)no1 ZINC000064948599 568994408 /nfs/dbraw/zinc/99/44/08/568994408.db2.gz UHHUZTZZDSVYCW-UHFFFAOYSA-N -1 1 446.488 4.962 50 0 IJAAMM Cc1c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2oc1-c1nc(-c2ccncc2)no1 ZINC000064948588 568994548 /nfs/dbraw/zinc/99/45/48/568994548.db2.gz KITMRMKMRFIZDN-UHFFFAOYSA-N -1 1 446.488 4.962 50 0 IJAAMM O=c1cc(-c2ccccn2)nc(SCc2nc(-c3ccc(C(F)(F)F)cc3)no2)[n-]1 ZINC000065330940 569137014 /nfs/dbraw/zinc/13/70/14/569137014.db2.gz BJKPMIHJVUEVTO-UHFFFAOYSA-N -1 1 431.399 4.605 50 0 IJAAMM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2cccc(-c3nc4ccccc4s3)c2)cc1 ZINC000009882547 569149681 /nfs/dbraw/zinc/14/96/81/569149681.db2.gz KUCYNALADJAKJN-UHFFFAOYSA-N -1 1 449.557 4.891 50 0 IJAAMM O=C(c1cccs1)N1CCc2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc21 ZINC000013696209 569156524 /nfs/dbraw/zinc/15/65/24/569156524.db2.gz JWWZZHNHQYGPEN-UHFFFAOYSA-N -1 1 436.917 4.544 50 0 IJAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2cccs2)CCC3)c1 ZINC000017026595 569171132 /nfs/dbraw/zinc/17/11/32/569171132.db2.gz VTIJQEUFHQGLCM-UHFFFAOYSA-N -1 1 426.563 4.759 50 0 IJAAMM Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)N[C@H]1CCCc2c3cccc(Cl)c3[nH]c21 ZINC000253401334 569264924 /nfs/dbraw/zinc/26/49/24/569264924.db2.gz FNNFJUGRXAABRZ-IBGZPJMESA-N -1 1 436.895 4.678 50 0 biogenic IJAAMM COc1cc(OC)c([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3[C@H]2CCOC(C)(C)C2)cc1OC ZINC000095475783 569372867 /nfs/dbraw/zinc/37/28/67/569372867.db2.gz ONKNYEDOFQMTNP-DJJJIMSYSA-N -1 1 447.557 4.631 50 0 IJAAMM O=C(Nc1ccc2sc(-c3ccc(NC(=O)C(F)(F)F)cc3[O-])nc2c1)C(F)(F)F ZINC000009065137 569499689 /nfs/dbraw/zinc/49/96/89/569499689.db2.gz BRHUOTRQIRRXNC-UHFFFAOYSA-N -1 1 449.332 4.671 50 0 IJAAMM CCCN1c2cc([N-]S(=O)(=O)c3cc(Cl)ccc3C)ccc2OCC(C)(C)C1=O ZINC000009172177 569509481 /nfs/dbraw/zinc/50/94/81/569509481.db2.gz KXAPEJHAUZSKRM-UHFFFAOYSA-N -1 1 436.961 4.611 50 0 IJAAMM COc1ccc(Oc2cnc(N)nc2-c2ccc(OCc3ccc(F)cc3)cc2[O-])cc1 ZINC000009346102 569524180 /nfs/dbraw/zinc/52/41/80/569524180.db2.gz VNNKLUQHGRJDMV-UHFFFAOYSA-N -1 1 433.439 4.950 50 0 IJAAMM Cc1nc2cc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)ccc2s1 ZINC000009714930 569562946 /nfs/dbraw/zinc/56/29/46/569562946.db2.gz NXOCEHVGIGQYEN-UHFFFAOYSA-N -1 1 441.509 4.797 50 0 IJAAMM Cc1nc2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)cc2s1 ZINC000009714920 569562957 /nfs/dbraw/zinc/56/29/57/569562957.db2.gz IQNCSXHEGVNWOS-UHFFFAOYSA-N -1 1 441.509 4.797 50 0 IJAAMM Cc1cc(=O)[n-]c(SCC(=O)N2c3ccccc3[C@](C)(c3ccccc3)CC2(C)C)n1 ZINC000009553931 132321315 /nfs/dbraw/zinc/32/13/15/132321315.db2.gz FFZVCNDQSMDLBL-VWLOTQADSA-N -1 1 433.577 4.692 50 0 IJAAMM CC(C)CNC(=O)c1cc2cc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc2[nH]1 ZINC000036007837 519741472 /nfs/dbraw/zinc/74/14/72/519741472.db2.gz SEKAWADJQFYGHK-UHFFFAOYSA-N -1 1 427.570 4.652 50 0 IJAAMM CC(C)Oc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccc(F)cc4)[n-]c(=O)c32)cc1 ZINC000021784755 519782145 /nfs/dbraw/zinc/78/21/45/519782145.db2.gz CPBSOGQGZDTKPA-GOSISDBHSA-N -1 1 439.512 4.875 50 0 IJAAMM CCN(CC)C(=O)c1oc2ccccc2c1[N-]C(=O)c1cc(-c2ccc(OC)cc2)on1 ZINC000015671833 520565612 /nfs/dbraw/zinc/56/56/12/520565612.db2.gz YZWZYRUHLQEZOL-UHFFFAOYSA-N -1 1 433.464 4.831 50 0 IJAAMM CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc(Cc4ccc(C)cc4)o3)cc2)cc1 ZINC000021705412 524016236 /nfs/dbraw/zinc/01/62/36/524016236.db2.gz QCERRNLTYLLBMW-UHFFFAOYSA-N -1 1 433.533 4.999 50 0 IJAAMM COc1ccc(Nc2nc([O-])c(CC(=O)Nc3ccc(Oc4ccccc4)cc3)s2)cc1 ZINC000012798238 524675572 /nfs/dbraw/zinc/67/55/72/524675572.db2.gz HGPKMJOXRIDMIU-NRFANRHFSA-N -1 1 447.516 4.926 50 0 IJAAMM COc1ccc([N-]S(=O)(=O)c2cc(-c3nc(-c4ccccc4)no3)sc2C)cc1 ZINC000035512490 524686266 /nfs/dbraw/zinc/68/62/66/524686266.db2.gz IAHYTBAEIXSPQU-UHFFFAOYSA-N -1 1 427.507 4.583 50 0 IJAAMM Cc1c(Cl)cccc1NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000022405913 525768397 /nfs/dbraw/zinc/76/83/97/525768397.db2.gz XMZCQEPDRPLNJD-UHFFFAOYSA-N -1 1 432.904 4.770 50 0 IJAAMM O=C1C[C@H](c2cccc(F)c2F)c2c(=O)[n-]c(SCc3cccc(Cl)c3)nc2N1 ZINC000020464035 527031700 /nfs/dbraw/zinc/03/17/00/527031700.db2.gz PRKWQPDCSNWVKQ-CYBMUJFWSA-N -1 1 433.867 4.880 50 0 IJAAMM O=S(=O)([N-]c1cccc(-c2nnco2)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001035085 555607811 /nfs/dbraw/zinc/60/78/11/555607811.db2.gz YQPXJSCDHIFPLG-UHFFFAOYSA-N -1 1 437.321 4.575 50 0 IJAAMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(F)cc3F)ccc2C)c1 ZINC000001065819 555618410 /nfs/dbraw/zinc/61/84/10/555618410.db2.gz VXTFSZBBXJVAKA-UHFFFAOYSA-N -1 1 430.476 4.943 50 0 IJAAMM CSc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(C)=O)c2ccccc2CC3)cc1 ZINC000001108285 555629810 /nfs/dbraw/zinc/62/98/10/555629810.db2.gz OBGMWRISWLKYKS-UHFFFAOYSA-N -1 1 438.574 4.993 50 0 IJAAMM Cc1ccc([N-]S(=O)(=O)c2cc(S(=O)(=O)c3ccc(Cl)cc3)ccc2C)cc1 ZINC000001176949 555669955 /nfs/dbraw/zinc/66/99/55/555669955.db2.gz FHUPWNZHNKLCCX-UHFFFAOYSA-N -1 1 435.954 4.590 50 0 IJAAMM COc1cc(C(=O)Nc2ccc([O-])c(-c3nc4cc(C)ccc4o3)c2)cc(OC)c1OC ZINC000001211324 555682275 /nfs/dbraw/zinc/68/22/75/555682275.db2.gz JHAKFKPKZQALQE-UHFFFAOYSA-N -1 1 434.448 4.787 50 0 IJAAMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(Cl)cc3)ccc2C)c1 ZINC000002886388 555858111 /nfs/dbraw/zinc/85/81/11/555858111.db2.gz KAGSXYWEEVSCQZ-UHFFFAOYSA-N -1 1 428.941 4.688 50 0 IJAAMM COc1ccc(-c2nc(NC(=O)c3cc(Br)c([O-])c(OC)c3)sc2C)cc1 ZINC000012982099 556424821 /nfs/dbraw/zinc/42/48/21/556424821.db2.gz LQPGBZNGEZXUHS-UHFFFAOYSA-N -1 1 449.326 4.856 50 0 IJAAMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)CCOc3ccccc3C)c2)c1 ZINC000013098970 556459344 /nfs/dbraw/zinc/45/93/44/556459344.db2.gz WDVJCNLFDQUKEY-UHFFFAOYSA-N -1 1 438.549 4.820 50 0 IJAAMM CCCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(F)cc1)C(C(=O)OC(C)C)=C(C)N2 ZINC000013114392 556466784 /nfs/dbraw/zinc/46/67/84/556466784.db2.gz YTYDCMGXYHOHSM-KRWDZBQOSA-N -1 1 431.533 4.584 50 0 IJAAMM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccccc3C)c2)cc1 ZINC000013305310 556502017 /nfs/dbraw/zinc/50/20/17/556502017.db2.gz UCUOIDVQRGAIGW-UHFFFAOYSA-N -1 1 430.913 4.710 50 0 IJAAMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(C2(C(=O)NCC3CCCCC3)CC2)cc1 ZINC000033115526 556555410 /nfs/dbraw/zinc/55/54/10/556555410.db2.gz WKGPTFLYFHVVNL-UHFFFAOYSA-N -1 1 426.582 4.524 50 0 IJAAMM CCOC(=O)c1c2c(sc1-n1c(C)cc(C=C3SC(=O)[N-]C3=O)c1C)CCCC2 ZINC000001248280 556574847 /nfs/dbraw/zinc/57/48/47/556574847.db2.gz MMUIQPBEWATPHE-YBEGLDIGSA-N -1 1 430.551 4.535 50 0 IJAAMM Cc1sc(-c2nc(-c3cccc(F)c3)no2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000046141500 556692955 /nfs/dbraw/zinc/69/29/55/556692955.db2.gz DBDMLOBDJJRKTK-UHFFFAOYSA-N -1 1 433.461 4.853 50 0 IJAAMM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000137588652 556697372 /nfs/dbraw/zinc/69/73/72/556697372.db2.gz KGRDTHKAUXVLSN-ISJGIBHGSA-N -1 1 442.515 4.917 50 0 IJAAMM Cc1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c(-c2nc3ccccc3[nH]c2=O)c1 ZINC000008710328 556842933 /nfs/dbraw/zinc/84/29/33/556842933.db2.gz FGJYGUXZBDZBJD-UHFFFAOYSA-N -1 1 433.533 4.625 50 0 IJAAMM Cc1noc(/C=C\c2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)c1NC(=O)C1CC1 ZINC000033171164 556882017 /nfs/dbraw/zinc/88/20/17/556882017.db2.gz MDZFBUVOJQTKNU-JYRVWZFOSA-N -1 1 437.521 4.611 50 0 IJAAMM CC(C)CN(CC(C)C)c1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1C(=O)[O-] ZINC000033253592 556893911 /nfs/dbraw/zinc/89/39/11/556893911.db2.gz CQNPPADQPYWNJY-UHFFFAOYSA-N -1 1 440.512 4.582 50 0 IJAAMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)N(C(=O)C1CC1)C[C@@H](C)S2 ZINC000032944005 557022815 /nfs/dbraw/zinc/02/28/15/557022815.db2.gz NUEWYMUBXKVOJQ-CYBMUJFWSA-N -1 1 436.986 4.686 50 0 IJAAMM Cc1nc(SCC(=O)Nc2ccc(Cl)cc2)[n-]c(=O)c1Cc1ccccc1Cl ZINC000018191193 557246335 /nfs/dbraw/zinc/24/63/35/557246335.db2.gz SRHOAMHBVMHBPC-UHFFFAOYSA-N -1 1 434.348 4.707 50 0 IJAAMM CCCCn1c(=O)[nH]c([O-])c(C2=Nc3ccccc3S[C@H](c3ccc(C)s3)C2)c1=O ZINC000101766569 557295756 /nfs/dbraw/zinc/29/57/56/557295756.db2.gz KCNJWDMQCNVQBY-SFHVURJKSA-N -1 1 441.578 4.770 50 0 IJAAMM COCc1oc2c(cc([N-]S(=O)(=O)c3ccc(C)cc3)c3ccccc23)c1C(=O)OC ZINC000003368411 568747704 /nfs/dbraw/zinc/74/77/04/568747704.db2.gz JUDXMKLYABBVEJ-UHFFFAOYSA-N -1 1 439.489 4.628 50 0 IJAAMM COc1cccc(CNCc2c(C)n(Cc3ccccc3Cl)c(C)c2C(=O)[O-])c1OC ZINC000015777060 568823864 /nfs/dbraw/zinc/82/38/64/568823864.db2.gz YIJMHETYABCTHN-UHFFFAOYSA-N -1 1 442.943 4.812 50 0 IJAAMM CCc1ccc([C@@H]2C(S(=O)(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(OC)cc2)cc1 ZINC000064557826 568932042 /nfs/dbraw/zinc/93/20/42/568932042.db2.gz UUUTWMZXVQJUGE-JOCHJYFZSA-N -1 1 449.528 4.589 50 0 IJAAMM O=c1nc(N2CCc3ccccc3C2)[n-]c2c(-c3ccc(Br)cc3)csc21 ZINC000064611603 568941630 /nfs/dbraw/zinc/94/16/30/568941630.db2.gz NYQPPLLAPSAYEE-UHFFFAOYSA-N -1 1 438.350 4.977 50 0 IJAAMM CC1=Nc2c(c(=O)[n-]n2C2CCCCCCC2)[C@H](c2ccc(S(C)(=O)=O)cc2)S1 ZINC000071285684 569150914 /nfs/dbraw/zinc/15/09/14/569150914.db2.gz JFXYWVNYFHCFPL-IBGZPJMESA-N -1 1 433.599 4.751 50 0 IJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2[C@H](O)c2ccc(Br)cc2)cc1 ZINC000002281966 569263304 /nfs/dbraw/zinc/26/33/04/569263304.db2.gz NXNQKEVQXWKHLM-HXUWFJFHSA-N -1 1 432.339 4.640 50 0 IJAAMM CCOC(=O)c1c(NC(=O)c2ccccc2[O-])sc(C)c1-c1ccc(OC)c(OC)c1 ZINC000002320841 569274086 /nfs/dbraw/zinc/27/40/86/569274086.db2.gz ZCZIICKANGXYIB-UHFFFAOYSA-N -1 1 441.505 4.875 50 0 IJAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3cccc(OC)c3)CC(=O)O4)c2=O)cc1 ZINC000079190678 569327989 /nfs/dbraw/zinc/32/79/89/569327989.db2.gz SEMOJFXFPCQXJH-SFHVURJKSA-N -1 1 444.439 4.624 50 0 biogenic IJAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2cccc(OC)c2)cc1 ZINC000079190678 569327991 /nfs/dbraw/zinc/32/79/91/569327991.db2.gz SEMOJFXFPCQXJH-SFHVURJKSA-N -1 1 444.439 4.624 50 0 biogenic IJAAMM O=C(c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)N1CCc2ccccc21 ZINC000002649424 569414581 /nfs/dbraw/zinc/41/45/81/569414581.db2.gz JQENSQIMSZRBQD-UHFFFAOYSA-N -1 1 447.343 4.997 50 0 IJAAMM CC(=O)c1c(C)oc2cc(C)c([N-]S(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4)cc21 ZINC000008870375 569480627 /nfs/dbraw/zinc/48/06/27/569480627.db2.gz FFMRQERCZLERKO-UHFFFAOYSA-N -1 1 434.473 4.772 50 0 IJAAMM C[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)ccc1Cl)C1CC1 ZINC000009377279 569527438 /nfs/dbraw/zinc/52/74/38/569527438.db2.gz LMPHYCAEINSMFY-LLVKDONJSA-N -1 1 446.878 4.688 50 0 IJAAMM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc4cccnc4s3)c2C)cc1F ZINC000009403978 569529552 /nfs/dbraw/zinc/52/95/52/569529552.db2.gz SJORALIZLREWGG-UHFFFAOYSA-N -1 1 429.498 4.615 50 0 IJAAMM O=C1C[C@H](c2ccc(OCc3ccc(F)cc3)cc2)c2c(=O)[n-]c(-c3ccccc3)nc2N1 ZINC000009409738 569531142 /nfs/dbraw/zinc/53/11/42/569531142.db2.gz CQDCWJCYLWGZSU-OAQYLSRUSA-N -1 1 441.462 4.629 50 0 IJAAMM Cc1ccn2cc(-c3ccc([N-]S(=O)(=O)c4ccc(Cl)c(Cl)c4)cc3)nc2n1 ZINC000009572157 569547715 /nfs/dbraw/zinc/54/77/15/569547715.db2.gz NLGOJBIXIHFZEV-UHFFFAOYSA-N -1 1 433.320 4.812 50 0 IJAAMM COc1ccc(Cl)cc1NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000009597076 569550866 /nfs/dbraw/zinc/55/08/66/569550866.db2.gz IYYZFFZRJIWCDV-UHFFFAOYSA-N -1 1 430.913 4.710 50 0 IJAAMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1)NCc1ccc(F)cc1 ZINC000009641422 569555618 /nfs/dbraw/zinc/55/56/18/569555618.db2.gz HDTXIRKYUCBGPS-UHFFFAOYSA-N -1 1 448.519 4.639 50 0 IJAAMM COc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(C(C)=O)cc3)ccc2OC(F)F)cc1 ZINC000010515744 569582623 /nfs/dbraw/zinc/58/26/23/569582623.db2.gz FIGQRDRDPLSKBB-UHFFFAOYSA-N -1 1 447.459 4.967 50 0 IJAAMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3cnc(C4CC4)o3)ccc2C)cc1 ZINC000021034067 521520538 /nfs/dbraw/zinc/52/05/38/521520538.db2.gz SUTVTVPXZYYEHH-UHFFFAOYSA-N -1 1 426.494 4.505 50 0 IJAAMM Cc1ccc(NC(=O)c2n[nH]c3ccccc32)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000012535758 525257709 /nfs/dbraw/zinc/25/77/09/525257709.db2.gz XUDUALMEYQYJGR-UHFFFAOYSA-N -1 1 440.912 4.578 50 0 IJAAMM Cc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)[N-]c1ccc(C(C)C)cc1 ZINC000020893857 525787425 /nfs/dbraw/zinc/78/74/25/525787425.db2.gz JHZMLAMDVAIZSJ-UHFFFAOYSA-N -1 1 437.565 4.548 50 0 IJAAMM CSc1nncn1-c1cccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)c1 ZINC000012525848 526229884 /nfs/dbraw/zinc/22/98/84/526229884.db2.gz CKHPAMOJCAWWPM-UHFFFAOYSA-N -1 1 428.583 4.838 50 0 IJAAMM Cn1c(CCc2ccccc2[N-]S(=O)(=O)c2ccc(F)c(Cl)c2)nc2ccccc21 ZINC000021357053 527049914 /nfs/dbraw/zinc/04/99/14/527049914.db2.gz SRSUXVLJPRQPBB-UHFFFAOYSA-N -1 1 443.931 4.952 50 0 IJAAMM O=C(Cc1ccc(Cl)cc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000012799955 527224580 /nfs/dbraw/zinc/22/45/80/527224580.db2.gz UOTKLTIZCNVGLS-UHFFFAOYSA-N -1 1 435.332 4.975 50 0 IJAAMM O=C(Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)c1ccccc1F ZINC000015437834 527372470 /nfs/dbraw/zinc/37/24/70/527372470.db2.gz URYBMQJTZIRGEN-UHFFFAOYSA-N -1 1 438.402 4.898 50 0 IJAAMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)c(C)c1 ZINC000000628361 555513776 /nfs/dbraw/zinc/51/37/76/555513776.db2.gz DSEVZSULCYAXHN-UHFFFAOYSA-N -1 1 444.578 4.522 50 0 IJAAMM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cccc(C)c3)c2)cc1 ZINC000000832271 555566419 /nfs/dbraw/zinc/56/64/19/555566419.db2.gz OLVIHIKUEMCMIK-UHFFFAOYSA-N -1 1 430.913 4.710 50 0 IJAAMM O=C(OCc1ccc(Br)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000000992917 555597139 /nfs/dbraw/zinc/59/71/39/555597139.db2.gz GGMLSVQBFAGBSA-UHFFFAOYSA-N -1 1 446.322 4.607 50 0 IJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(Br)c3)cc2)cc1 ZINC000001049366 555612449 /nfs/dbraw/zinc/61/24/49/555612449.db2.gz SSTVCLCIAVTJRC-UHFFFAOYSA-N -1 1 445.338 4.811 50 0 IJAAMM COc1ccc2cc(C=C3NC(=S)[N-]C3=O)c(Sc3ccc(Cl)cc3)nc2c1 ZINC000013809819 556311548 /nfs/dbraw/zinc/31/15/48/556311548.db2.gz DRCZRIQYDCKATF-MFOYZWKCSA-N -1 1 427.938 4.805 50 0 IJAAMM Cc1cc(-c2cc(C(=O)Nc3n[n-]c(C(F)(F)F)n3)c3cnn(C(C)C)c3n2)c(C)s1 ZINC000012974018 556419923 /nfs/dbraw/zinc/41/99/23/556419923.db2.gz UPODLODZGAHWEV-UHFFFAOYSA-N -1 1 449.462 4.747 50 0 IJAAMM O=C(NCC1CCCCC1)C1(c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000033115519 556555514 /nfs/dbraw/zinc/55/55/14/556555514.db2.gz RXLZJVFTZRFXCL-UHFFFAOYSA-N -1 1 447.000 4.869 50 0 IJAAMM O=C(Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-])c1cc2c(s1)CCC2 ZINC000034877986 556585336 /nfs/dbraw/zinc/58/53/36/556585336.db2.gz QZJQJUFLAFJKIC-UHFFFAOYSA-N -1 1 448.953 4.649 50 0 IJAAMM O=C(CSc1nc(-c2ccccc2)cc(=O)[n-]1)Nc1oncc1-c1ccc(Cl)cc1 ZINC000032984881 556604757 /nfs/dbraw/zinc/60/47/57/556604757.db2.gz OEXZVGDQVZOQDV-UHFFFAOYSA-N -1 1 438.896 4.888 50 0 IJAAMM Cc1ccccc1-c1csc2c1[n-]c(N1CCN(c3ccccc3Cl)CC1)nc2=O ZINC000048990011 556703175 /nfs/dbraw/zinc/70/31/75/556703175.db2.gz YNEMGMRECGZDDQ-UHFFFAOYSA-N -1 1 436.968 4.940 50 0 IJAAMM Cc1occc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000013329767 556719509 /nfs/dbraw/zinc/71/95/09/556719509.db2.gz FNGMJAWYQDJLBF-UHFFFAOYSA-N -1 1 425.293 4.948 50 0 IJAAMM CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)[N-]c1cccc(OC)c1 ZINC000033173536 556883626 /nfs/dbraw/zinc/88/36/26/556883626.db2.gz OOYRJLVZVDKTOE-UHFFFAOYSA-N -1 1 426.416 4.732 50 0 IJAAMM CC(=O)Nc1c(C)noc1/C=C\c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1 ZINC000033170582 556886184 /nfs/dbraw/zinc/88/61/84/556886184.db2.gz GWXKMOUTVYCWKL-HJWRWDBZSA-N -1 1 439.537 4.838 50 0 IJAAMM O=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000000637423 557123378 /nfs/dbraw/zinc/12/33/78/557123378.db2.gz YSCXMOPJQOVZSR-UHFFFAOYSA-N -1 1 446.326 4.894 50 0 IJAAMM CC[C@H]1CCCCN1C(=O)c1ccc2[n-]cc3c(=O)n(-c4ccc(Cl)cc4)nc-3c2c1 ZINC000101827719 557299472 /nfs/dbraw/zinc/29/94/72/557299472.db2.gz WABWLLBQRJFQDR-KRWDZBQOSA-N -1 1 434.927 4.877 50 0 IJAAMM COc1ccc(-c2nc(CSc3nc(-c4ccc(OC)cc4)cc(=O)[n-]3)c(C)o2)cc1 ZINC000045924858 557549952 /nfs/dbraw/zinc/54/99/52/557549952.db2.gz WYFPHYNDCPNLQD-UHFFFAOYSA-N -1 1 435.505 4.710 50 0 IJAAMM CCCOc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccc(C)cc4)[n-]c(=O)c32)cc1 ZINC000086057225 568642412 /nfs/dbraw/zinc/64/24/12/568642412.db2.gz AKXSBGRTRYVLSX-LJQANCHMSA-N -1 1 435.549 4.634 50 0 IJAAMM COc1cccc(-c2cc(=O)[n-]c(SCc3nc(-c4ccc(Cl)c(F)c4)no3)n2)c1 ZINC000044169534 568749029 /nfs/dbraw/zinc/74/90/29/568749029.db2.gz COUHJBXTTLMUNI-UHFFFAOYSA-N -1 1 444.875 4.993 50 0 IJAAMM CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c1C ZINC000003504157 568750365 /nfs/dbraw/zinc/75/03/65/568750365.db2.gz LZDADFOEGHMFOA-UHFFFAOYSA-N -1 1 445.928 4.541 50 0 IJAAMM COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3C2CCCCCC2)cc2c1OCCO2 ZINC000085412392 568818406 /nfs/dbraw/zinc/81/84/06/568818406.db2.gz VMDHHQUSQJARHD-FQEVSTJZSA-N -1 1 429.542 4.738 50 0 IJAAMM Cc1c(Cl)c(C)c(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([O-])c1Br ZINC000252598961 568925911 /nfs/dbraw/zinc/92/59/11/568925911.db2.gz DFQPDLLHFRXJBH-UHFFFAOYSA-N -1 1 443.641 4.687 50 0 IJAAMM O=c1nc(N2CCN(c3ccccc3Cl)CC2)[n-]c2c(-c3ccc(F)cc3)csc21 ZINC000064611593 568941632 /nfs/dbraw/zinc/94/16/32/568941632.db2.gz ZWGSPCOQADTURS-UHFFFAOYSA-N -1 1 440.931 4.771 50 0 IJAAMM Cc1c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2oc1-c1nc(-c2ccccn2)no1 ZINC000064948584 568994430 /nfs/dbraw/zinc/99/44/30/568994430.db2.gz OHSMWFRBSWHRHW-UHFFFAOYSA-N -1 1 446.488 4.962 50 0 IJAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1NC(=O)c1ccccc1 ZINC000010060026 569152371 /nfs/dbraw/zinc/15/23/71/569152371.db2.gz 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CC1CCC(NC(=O)C2(c3ccc([N-]S(=O)(=O)c4ccc(Cl)cc4)cc3)CC2)CC1 ZINC000033115464 520942977 /nfs/dbraw/zinc/94/29/77/520942977.db2.gz IVMJMZXNKFGDQS-UHFFFAOYSA-N -1 1 447.000 4.867 50 0 IJAAMM CCCc1cc(=O)[n-]c(-n2nc(C3CC3)cc2NC(=O)c2ccc(-c3ccccc3)cc2)n1 ZINC000012125348 521341567 /nfs/dbraw/zinc/34/15/67/521341567.db2.gz LDZBUHKZMICAJF-UHFFFAOYSA-N -1 1 439.519 4.705 50 0 IJAAMM COc1ccc(-c2cc(C(=O)[N-]c3c4ccccc4oc3C(=O)NC(C)(C)C)no2)cc1 ZINC000020900532 523101176 /nfs/dbraw/zinc/10/11/76/523101176.db2.gz ITANNKPDYOZEKV-UHFFFAOYSA-N -1 1 433.464 4.877 50 0 IJAAMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCc4sccc4[C@H]3C)c2)c1 ZINC000012561140 524691501 /nfs/dbraw/zinc/69/15/01/524691501.db2.gz KABODHAYFHHEEQ-MRXNPFEDSA-N -1 1 426.563 4.617 50 0 IJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3noc(COc4ccc(F)cc4)n3)cc2)cc1 ZINC000021702579 525598173 /nfs/dbraw/zinc/59/81/73/525598173.db2.gz DMFIZBOXKUWRRP-UHFFFAOYSA-N -1 1 439.468 4.564 50 0 IJAAMM O=C1C[C@@H](c2cc(F)ccc2F)c2c(=O)[n-]c(SCc3ccccc3Cl)nc2N1 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O=c1nc(N2CCN(c3ccc(F)cc3)CC2)[n-]c2c(-c3ccccc3Cl)csc21 ZINC000048986625 556702807 /nfs/dbraw/zinc/70/28/07/556702807.db2.gz IBVRVTZIOLXWDD-UHFFFAOYSA-N -1 1 440.931 4.771 50 0 IJAAMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CC(=O)N[C@@H](CC1CCCCC1)c1ccccc1 ZINC000058310373 556779829 /nfs/dbraw/zinc/77/98/29/556779829.db2.gz YTQGTXXQAGMHOX-QHCPKHFHSA-N -1 1 430.552 4.511 50 0 IJAAMM O=c1[n-]c(SCc2c(F)cccc2Cl)nc2c1CN(Cc1ccc(F)cc1)CC2 ZINC000033287253 557064387 /nfs/dbraw/zinc/06/43/87/557064387.db2.gz QAZXFPFZGFENRQ-UHFFFAOYSA-N -1 1 433.911 4.964 50 0 IJAAMM CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)[N-]c2ccc(C)c(F)c2)cc1 ZINC000033297941 557073982 /nfs/dbraw/zinc/07/39/82/557073982.db2.gz WJKVCLFKQQGCTK-WQLSENKSSA-N -1 1 443.500 4.750 50 0 IJAAMM CCOc1ccc([N-]S(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)sc2C)cc1 ZINC000033299252 557081629 /nfs/dbraw/zinc/08/16/29/557081629.db2.gz YVWYQOKYFUOFBJ-UHFFFAOYSA-N -1 1 432.445 4.930 50 0 IJAAMM Cc1nc2cc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccc(C)cc4)c3)ccc2o1 ZINC000024837386 557172293 /nfs/dbraw/zinc/17/22/93/557172293.db2.gz TZLXSJGFECHYLZ-UHFFFAOYSA-N -1 1 435.505 4.806 50 0 IJAAMM COc1ccc([N-]S(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)cc1Cl ZINC000098072927 557233295 /nfs/dbraw/zinc/23/32/95/557233295.db2.gz RLXSGBRXYOEFLJ-UHFFFAOYSA-N -1 1 444.656 4.931 50 0 IJAAMM Cc1ccc(-n2nc3c4cc(C(=O)NCc5ccccc5Cl)ccc4[n-]cc-3c2=O)cc1 ZINC000101281919 557266941 /nfs/dbraw/zinc/26/69/41/557266941.db2.gz JSLKFXSWJUZNQF-UHFFFAOYSA-N -1 1 442.906 4.710 50 0 IJAAMM Cc1ccc(-n2nc3c4cc(C(=O)N5C[C@@H](C)C[C@H](C)C5)ccc4[n-]cc-3c2=O)cc1C ZINC000101827848 557299814 /nfs/dbraw/zinc/29/98/14/557299814.db2.gz OUJUDGJFQVBDGQ-HOTGVXAUSA-N -1 1 428.536 4.554 50 0 IJAAMM CCN(CC)c1cc(Nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)[nH+]c(C)n1 ZINC000033324506 557332894 /nfs/dbraw/zinc/33/28/94/557332894.db2.gz XJYWGRVPEMVETN-UHFFFAOYSA-N -1 1 445.976 4.829 50 0 IJAAMM COc1ccc(CNCc2c(C)n(Cc3cccc(Cl)c3)c(C)c2C(=O)[O-])c(OC)c1 ZINC000015776987 568823658 /nfs/dbraw/zinc/82/36/58/568823658.db2.gz VQDNWOSWLWSHPH-UHFFFAOYSA-N -1 1 442.943 4.812 50 0 IJAAMM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)n[nH]2)s1 ZINC000085664761 568833923 /nfs/dbraw/zinc/83/39/23/568833923.db2.gz OHZQQPVZXMWKMK-UHFFFAOYSA-N -1 1 437.852 4.620 50 0 IJAAMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc3sc(NC(=O)C(C)C)nc3c2)cc1 ZINC000015870333 568851658 /nfs/dbraw/zinc/85/16/58/568851658.db2.gz RJXYRQHQENTSDU-UHFFFAOYSA-N -1 1 431.583 4.890 50 0 IJAAMM O=C(Nc1nc2cc([N-]S(=O)(=O)c3ccc(F)cc3)ccc2s1)C1CCCCC1 ZINC000015870211 568851676 /nfs/dbraw/zinc/85/16/76/568851676.db2.gz UTSZFFXMVSNJRH-UHFFFAOYSA-N -1 1 433.530 4.755 50 0 IJAAMM Cc1ccc(CN2CCN(c3ccc(NC(=O)c4cccc(C)c4)c(C(=O)[O-])c3)CC2)cc1 ZINC000064589670 568935078 /nfs/dbraw/zinc/93/50/78/568935078.db2.gz NKURMFXSAZRWSZ-UHFFFAOYSA-N -1 1 443.547 4.576 50 0 IJAAMM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(Br)cc3)c(C)n2C)sc1C ZINC000064668296 568943184 /nfs/dbraw/zinc/94/31/84/568943184.db2.gz ASXHKHTYQXSGPM-UHFFFAOYSA-N -1 1 440.388 4.637 50 0 IJAAMM CCc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2)cc1 ZINC000064837167 568969499 /nfs/dbraw/zinc/96/94/99/568969499.db2.gz KSORQBJTGFSOKL-UHFFFAOYSA-N -1 1 447.516 4.592 50 0 IJAAMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(=O)NC1CCCCC1 ZINC000064862062 568973901 /nfs/dbraw/zinc/97/39/01/568973901.db2.gz KJGVSFGNXOGLTP-UHFFFAOYSA-N -1 1 447.988 4.854 50 0 IJAAMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(=O)NC1CCCCC1 ZINC000064862067 568973962 /nfs/dbraw/zinc/97/39/62/568973962.db2.gz AEVYWBXCFLDHIO-UHFFFAOYSA-N -1 1 447.988 4.854 50 0 IJAAMM CCCCCNC(=O)c1cccnc1Oc1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000065074488 569098880 /nfs/dbraw/zinc/09/88/80/569098880.db2.gz UHPDYVFGADAZBP-UHFFFAOYSA-N -1 1 439.537 4.595 50 0 IJAAMM O=C(c1cccs1)N1CCCc2cc([N-]S(=O)(=O)c3cccc(Cl)c3)ccc21 ZINC000017150022 569174956 /nfs/dbraw/zinc/17/49/56/569174956.db2.gz BGBAFAFMMVDPMQ-UHFFFAOYSA-N -1 1 432.954 4.795 50 0 IJAAMM COc1cccc(Oc2cnc(N)nc2-c2ccc(OCc3ccc(F)cc3)cc2[O-])c1 ZINC000002327219 569274444 /nfs/dbraw/zinc/27/44/44/569274444.db2.gz DYVMPGODQJMPLQ-UHFFFAOYSA-N -1 1 433.439 4.950 50 0 IJAAMM COc1cc(OC)c([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3[C@@H]2CCOC(C)(C)C2)cc1OC ZINC000095475782 569372936 /nfs/dbraw/zinc/37/29/36/569372936.db2.gz ONKNYEDOFQMTNP-YJYMSZOUSA-N -1 1 447.557 4.631 50 0 IJAAMM O=c1cc2c(c3occ(-c4ccc(O)cc4)c([O-])c1-3)[C@H](c1ccc(F)cc1F)CC(=O)O2 ZINC000096116059 569383527 /nfs/dbraw/zinc/38/35/27/569383527.db2.gz BLHOCPCSVSHPNF-HNNXBMFYSA-N -1 1 436.366 4.590 50 0 biogenic IJAAMM CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2cccc(Br)c2)S1 ZINC000096117262 569384149 /nfs/dbraw/zinc/38/41/49/569384149.db2.gz FOEGDMFUOOPDHB-GDBMZVCRSA-N -1 1 436.375 4.955 50 0 IJAAMM CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2cc3c(c(Cl)c2)OCO3)S1 ZINC000096117988 569384423 /nfs/dbraw/zinc/38/44/23/569384423.db2.gz DOXTWLHZNJHHNC-PXAZEXFGSA-N -1 1 435.933 4.575 50 0 IJAAMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)N(Cc1ccccc1)C1CC1 ZINC000031085168 569453342 /nfs/dbraw/zinc/45/33/42/569453342.db2.gz ZYAQZRZFWXVRKT-UHFFFAOYSA-N -1 1 442.487 4.570 50 0 IJAAMM O=S(=O)([N-]c1cccc(S(=O)(=O)C2CCCC2)c1)c1ccc(Cl)c(Cl)c1 ZINC000031722904 569457087 /nfs/dbraw/zinc/45/70/87/569457087.db2.gz RLKJFMOYSJTXON-UHFFFAOYSA-N -1 1 434.366 4.511 50 0 IJAAMM O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccc(-c2nc3ccccc3o2)c([O-])c1 ZINC000004087959 569458795 /nfs/dbraw/zinc/45/87/95/569458795.db2.gz ICPSZOLVDDXMTH-UHFFFAOYSA-N -1 1 437.908 4.910 50 0 IJAAMM O=C(Cc1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)Nc1ccccc1 ZINC000008720247 569471557 /nfs/dbraw/zinc/47/15/57/569471557.db2.gz TUAOORRAGCMHQH-UHFFFAOYSA-N -1 1 434.439 4.687 50 0 IJAAMM CCN1c2ccc(S(=O)(=O)[N-]c3ccc4oc(C)c(C(C)=O)c4c3)c3cccc(c23)C1=O ZINC000008870416 569480656 /nfs/dbraw/zinc/48/06/56/569480656.db2.gz CINMGTKMEJTSEK-UHFFFAOYSA-N -1 1 448.500 4.878 50 0 IJAAMM CCCN1c2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3C)cc2OCC(C)(C)C1=O ZINC000009167818 569509138 /nfs/dbraw/zinc/50/91/38/569509138.db2.gz XGWRAZBAUCAWEW-UHFFFAOYSA-N -1 1 436.961 4.611 50 0 IJAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)Nc1ccccc1F ZINC000009282900 569518811 /nfs/dbraw/zinc/51/88/11/569518811.db2.gz XKYRHCLXYQNPGQ-UHFFFAOYSA-N -1 1 449.891 4.933 50 0 IJAAMM Cc1ccccc1COc1ccc([C@H]2CC(=O)Nc3nc(-c4ccccc4)[n-]c(=O)c32)cc1 ZINC000009410083 569531268 /nfs/dbraw/zinc/53/12/68/569531268.db2.gz YNEUGJCGXNCEBK-JOCHJYFZSA-N -1 1 437.499 4.798 50 0 IJAAMM O=C(Nc1cccc2cccnc21)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000009579072 569548431 /nfs/dbraw/zinc/54/84/31/569548431.db2.gz FBEIAAGCPDMMLC-UHFFFAOYSA-N -1 1 437.908 4.941 50 0 IJAAMM CCC(=O)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000035684043 521166053 /nfs/dbraw/zinc/16/60/53/521166053.db2.gz AUNAENDQDHCUJT-HSZRJFAPSA-N -1 1 433.533 4.575 50 0 IJAAMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCc2ccc(Cl)cc2Cl)cc1 ZINC000012742908 523177099 /nfs/dbraw/zinc/17/70/99/523177099.db2.gz UMZMGFOBNUDSML-UHFFFAOYSA-N -1 1 437.352 4.630 50 0 IJAAMM C[C@@H](NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)c1cccc(Cl)c1 ZINC000012631206 525136264 /nfs/dbraw/zinc/13/62/64/525136264.db2.gz SDKLVWBFOLPGPT-OAHLLOKOSA-N -1 1 446.931 4.700 50 0 IJAAMM Cc1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1S(=O)(=O)[N-]c1ccc(SC(F)F)cc1 ZINC000012535941 525224143 /nfs/dbraw/zinc/22/41/43/525224143.db2.gz SCQJKUZYHGPTIK-LRDDRELGSA-N -1 1 426.510 4.705 50 0 IJAAMM Cc1ccc([N-]S(=O)(=O)c2cc(-c3noc(C4CC4)n3)cs2)c(Br)c1 ZINC000035557051 525296068 /nfs/dbraw/zinc/29/60/68/525296068.db2.gz VPVZATWISRIHAU-UHFFFAOYSA-N -1 1 440.344 4.547 50 0 IJAAMM Cc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4ccc5c(c4)OCCO5)cc3)sc2c1 ZINC000020461259 526242291 /nfs/dbraw/zinc/24/22/91/526242291.db2.gz KGESMYWOSQGWAE-UHFFFAOYSA-N -1 1 438.530 4.844 50 0 IJAAMM Cc1ccc(C(=O)Nc2ccccc2Br)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000001110706 555631401 /nfs/dbraw/zinc/63/14/01/555631401.db2.gz FRVZILCHRKPOHR-UHFFFAOYSA-N -1 1 445.338 4.811 50 0 IJAAMM Cc1nc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)[n-]c(=O)c1Cc1ccccc1 ZINC000001111397 555631775 /nfs/dbraw/zinc/63/17/75/555631775.db2.gz QKJRMHHLUMVIPD-UHFFFAOYSA-N -1 1 434.348 4.707 50 0 IJAAMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2ccc(Br)cc2)c1 ZINC000008386863 556162455 /nfs/dbraw/zinc/16/24/55/556162455.db2.gz KFTYKLZKJWUPMW-UHFFFAOYSA-N -1 1 445.338 4.811 50 0 IJAAMM COc1ccc(NC(=O)CSc2nc(CSc3ccc(Cl)cc3)cc(=O)[n-]2)cc1 ZINC000008450354 556181288 /nfs/dbraw/zinc/18/12/88/556181288.db2.gz MRPIDCRYJNRTGN-UHFFFAOYSA-N -1 1 447.969 4.867 50 0 IJAAMM CCCC[C@]1(C2CCCCC2)Cc2ccccc2-c2nc(SCC(N)=O)[n-]c(=O)c21 ZINC000009333972 556283203 /nfs/dbraw/zinc/28/32/03/556283203.db2.gz MAZBSPJVUDEZSL-XMMPIXPASA-N -1 1 425.598 4.579 50 0 IJAAMM COc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000013838850 556317211 /nfs/dbraw/zinc/31/72/11/556317211.db2.gz SOOKBYYKVDZHBQ-UHFFFAOYSA-N -1 1 434.876 4.541 50 0 IJAAMM CCOc1cc(C=C2SC(=O)[N-]C2=O)ccc1OCCCOc1cccc(C)c1C ZINC000015857247 556557974 /nfs/dbraw/zinc/55/79/74/556557974.db2.gz KAXXROGPPJOLMQ-STZFKDTASA-N -1 1 427.522 4.874 50 0 IJAAMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC4CCCC4)CC3)cc2)cc1 ZINC000033274585 556558645 /nfs/dbraw/zinc/55/86/45/556558645.db2.gz NIOKWJKWWYIJJU-UHFFFAOYSA-N -1 1 440.609 4.875 50 0 IJAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC4CCC(C)CC4)CC3)cc2)c1 ZINC000033274667 556558801 /nfs/dbraw/zinc/55/88/01/556558801.db2.gz ZUISVKLXFYOVDQ-UHFFFAOYSA-N -1 1 440.609 4.831 50 0 IJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCSC3CCCCC3)cc2)cc1 ZINC000016310495 556599288 /nfs/dbraw/zinc/59/92/88/556599288.db2.gz LWIKAIZARUVOEL-UHFFFAOYSA-N -1 1 432.611 4.592 50 0 IJAAMM Cc1sc(-c2nc(-c3ccc(F)cc3)no2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000046141376 556692721 /nfs/dbraw/zinc/69/27/21/556692721.db2.gz CYUZYULBWQCECY-UHFFFAOYSA-N -1 1 433.461 4.853 50 0 IJAAMM O=c1nc(N2CCN(c3ccccc3Cl)CC2)[n-]c2c(-c3cccc(F)c3)csc21 ZINC000049421034 556705134 /nfs/dbraw/zinc/70/51/34/556705134.db2.gz JPSFDYPOEMUDFK-UHFFFAOYSA-N -1 1 440.931 4.771 50 0 IJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2[C@@H](O)c2ccc(Br)cc2)cc1 ZINC000004647294 556848798 /nfs/dbraw/zinc/84/87/98/556848798.db2.gz NXNQKEVQXWKHLM-FQEVSTJZSA-N -1 1 432.339 4.640 50 0 IJAAMM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000023506724 557095279 /nfs/dbraw/zinc/09/52/79/557095279.db2.gz FAGYXJIUTAHXGX-HNNXBMFYSA-N -1 1 430.476 4.599 50 0 IJAAMM O=C1[N-]C(=S)NC1=Cc1cc(Br)ccc1OCc1cccc2ccccc21 ZINC000033348760 557123278 /nfs/dbraw/zinc/12/32/78/557123278.db2.gz RQVMPUZFTKGRQI-WQRHYEAKSA-N -1 1 439.334 4.527 50 0 IJAAMM Cc1ccc(-n2nc3c4cc(C(=O)N[C@H](C)c5ccc(F)cc5)ccc4[n-]cc-3c2=O)cc1 ZINC000101282047 557267127 /nfs/dbraw/zinc/26/71/27/557267127.db2.gz MHKUXULDANXEIX-MRXNPFEDSA-N -1 1 440.478 4.757 50 0 IJAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4c(cccc4Cl)[nH]3)cc2)cc1OC ZINC000072271993 557267313 /nfs/dbraw/zinc/26/73/13/557267313.db2.gz NIAPYWVNLZEPPM-UHFFFAOYSA-N -1 1 443.912 4.701 50 0 IJAAMM O=C([N-]c1nc(-c2ccc(Br)cc2)ns1)c1ccc(Br)o1 ZINC000027663317 557269353 /nfs/dbraw/zinc/26/93/53/557269353.db2.gz VGSBUPJYLHKAED-UHFFFAOYSA-N -1 1 429.093 4.575 50 0 IJAAMM CCC1=CO[C@](CC)([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)CC1 ZINC000102728049 557370648 /nfs/dbraw/zinc/37/06/48/557370648.db2.gz SCQXXMAARAHUFR-LNEBKTTKSA-N -1 1 432.520 4.618 50 0 IJAAMM CCOc1cccc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4Cl)[n-]c(=O)c32)c1 ZINC000086057419 568642840 /nfs/dbraw/zinc/64/28/40/568642840.db2.gz CAYZDMSKERIMSW-INIZCTEOSA-N -1 1 441.940 4.588 50 0 IJAAMM O=C1[N-]C(=O)/C(=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)N1 ZINC000000981379 568648714 /nfs/dbraw/zinc/64/87/14/568648714.db2.gz WIBNSMMLXVEZJH-MKMNVTDBSA-N -1 1 442.096 4.515 50 0 IJAAMM COc1cc([C@H]2SC(C)=Nc3c2c(=O)[n-]n3C2CCCCCC2)c(OC)c2c1OCO2 ZINC000085412406 568818444 /nfs/dbraw/zinc/81/84/44/568818444.db2.gz VLVLMJJTAUIGHF-HXUWFJFHSA-N -1 1 445.541 4.704 50 0 IJAAMM O=C(Nc1ccc(F)c(Cl)c1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000006146816 568846273 /nfs/dbraw/zinc/84/62/73/568846273.db2.gz UMAGKVRWHTXGQG-UHFFFAOYSA-N -1 1 440.830 4.810 50 0 IJAAMM CCCCNC(=O)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000065059907 569095626 /nfs/dbraw/zinc/09/56/26/569095626.db2.gz WFSONFFCHQGGSL-UHFFFAOYSA-N -1 1 439.537 4.513 50 0 IJAAMM CCc1csc(-c2csc(S(=O)(=O)[N-]Cc3ccccc3C(F)(F)F)c2)n1 ZINC000065116821 569107520 /nfs/dbraw/zinc/10/75/20/569107520.db2.gz BINDQZWFNJFICE-UHFFFAOYSA-N -1 1 432.514 4.931 50 0 IJAAMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)NCC(c2ccccc2)c2ccccc2)cc1 ZINC000014244988 569158362 /nfs/dbraw/zinc/15/83/62/569158362.db2.gz PDKGZQIPMNPAKL-UHFFFAOYSA-N -1 1 428.561 4.864 50 0 IJAAMM CC(C)CNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)ccc1Cl ZINC000017128444 569174374 /nfs/dbraw/zinc/17/43/74/569174374.db2.gz FUJIEZHIVCIANJ-UHFFFAOYSA-N -1 1 434.867 4.545 50 0 IJAAMM O=c1cc2c(c3occ(-c4ccc(Cl)cc4)c([O-])c1-3)[C@@H](c1ccc(O)cc1)CC(=O)O2 ZINC000253405850 569265337 /nfs/dbraw/zinc/26/53/37/569265337.db2.gz INJBCGBDHLDEOD-MRXNPFEDSA-N -1 1 434.831 4.966 50 0 biogenic IJAAMM CCc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(N4CCC(C)CC4)nn3)c2)cc1 ZINC000021089751 569376032 /nfs/dbraw/zinc/37/60/32/569376032.db2.gz SDOYSJZNXHBEQE-UHFFFAOYSA-N -1 1 436.581 4.743 50 0 IJAAMM COc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)cc1Cl ZINC000003569933 569454187 /nfs/dbraw/zinc/45/41/87/569454187.db2.gz UEIWRVCMDIUZJM-UHFFFAOYSA-N -1 1 434.876 4.541 50 0 IJAAMM CCCc1oc2cc(C)c([N-]S(=O)(=O)c3ccc(OC)cc3)cc2c1C(=O)OCC ZINC000008870350 569480513 /nfs/dbraw/zinc/48/05/13/569480513.db2.gz HNFYGDLTYADSOU-UHFFFAOYSA-N -1 1 431.510 4.680 50 0 IJAAMM Cc1cc2oc3c(c2cc1[N-]S(=O)(=O)c1ccc2c4c(cccc41)C(=O)N2)C(=O)CCC3 ZINC000008870376 569480619 /nfs/dbraw/zinc/48/06/19/569480619.db2.gz JVWFXXKIEHHJLT-UHFFFAOYSA-N -1 1 446.484 4.780 50 0 IJAAMM COc1ccccc1Oc1cnc(N)nc1-c1ccc(OCc2ccc(F)cc2)cc1[O-] ZINC000009291804 569519899 /nfs/dbraw/zinc/51/98/99/569519899.db2.gz CGYKTUGPPZQFTA-UHFFFAOYSA-N -1 1 433.439 4.950 50 0 IJAAMM COc1ccc2nc(Sc3ccc(Cl)cc3)c(C=C3NC(=S)[N-]C3=O)cc2c1 ZINC000009313211 569521939 /nfs/dbraw/zinc/52/19/39/569521939.db2.gz WQPXZRZSZKJKBE-YVLHZVERSA-N -1 1 427.938 4.805 50 0 IJAAMM COc1cccc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)c1 ZINC000009540059 569545707 /nfs/dbraw/zinc/54/57/07/569545707.db2.gz HDINZTUWHXVVKW-UHFFFAOYSA-N -1 1 430.913 4.710 50 0 IJAAMM Cc1ccn2cc(-c3ccc([N-]S(=O)(=O)c4ccc5cccc6c5c4CC6)cc3)nc2n1 ZINC000009572175 569547737 /nfs/dbraw/zinc/54/77/37/569547737.db2.gz BNYAVZQJESLFEU-UHFFFAOYSA-N -1 1 440.528 4.757 50 0 IJAAMM COc1cc(CSc2nnc([N-]C(=O)c3nc4ccccc4s3)s2)cc(OC)c1 ZINC000070635071 569548616 /nfs/dbraw/zinc/54/86/16/569548616.db2.gz KZWBKOARFWKSRE-UHFFFAOYSA-N -1 1 444.563 4.710 50 0 IJAAMM Cc1cccc(OCCSc2nc(-c3ccc(C(C)(C)C)cc3)nc3cc(=O)[n-]n32)c1 ZINC000009641340 569555636 /nfs/dbraw/zinc/55/56/36/569555636.db2.gz MASIIVOXAJKWIF-UHFFFAOYSA-N -1 1 434.565 4.862 50 0 IJAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc4sccc4c3)cc2)cc1 ZINC000009714999 569562931 /nfs/dbraw/zinc/56/29/31/569562931.db2.gz ADONOJKZKAMFEZ-UHFFFAOYSA-N -1 1 438.530 4.963 50 0 IJAAMM 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CC(=O)Nc1c(C)noc1/C=C\c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1 ZINC000033170568 556886139 /nfs/dbraw/zinc/88/61/39/556886139.db2.gz NMJVGXJRMYHBOV-KHPPLWFESA-N -1 1 439.537 4.838 50 0 IJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2CNc2ccc(Br)cn2)cc1 ZINC000020191781 556996212 /nfs/dbraw/zinc/99/62/12/556996212.db2.gz KFHIQNFNFDGOKB-UHFFFAOYSA-N -1 1 432.343 4.565 50 0 aggregator IJAAMM COc1ccc(C)cc1NC(=S)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000020357248 557011368 /nfs/dbraw/zinc/01/13/68/557011368.db2.gz QDGIXBZTTUDMOV-UHFFFAOYSA-N -1 1 427.551 4.613 50 0 IJAAMM Cc1ccc(-n2nc3c4cc(C(=O)N[C@@H](C)c5ccccc5)ccc4[n-]cc-3c2=O)cc1C ZINC000101828058 557299779 /nfs/dbraw/zinc/29/97/79/557299779.db2.gz GHZBEFRYORZUOV-SFHVURJKSA-N -1 1 436.515 4.926 50 0 IJAAMM CCOc1ccc(Oc2ccccc2NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1 ZINC000036386976 563094532 /nfs/dbraw/zinc/09/45/32/563094532.db2.gz MTTWEKFBNPZVBF-UHFFFAOYSA-N -1 1 441.505 4.696 50 0 IJAAMM CCCOc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4C)[n-]c(=O)c32)cc1 ZINC000086056983 568642035 /nfs/dbraw/zinc/64/20/35/568642035.db2.gz XGEQVYZJANHZGR-IBGZPJMESA-N -1 1 435.549 4.634 50 0 IJAAMM CCCOc1ccccc1[C@H]1CC(=O)Nc2nc(SCc3ccccc3C)[n-]c(=O)c21 ZINC000086057019 568642249 /nfs/dbraw/zinc/64/22/49/568642249.db2.gz OPFABTYRDDBAIC-GOSISDBHSA-N -1 1 435.549 4.634 50 0 IJAAMM Cc1nc(-c2ccc(Cl)cc2)sc1CC[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000015783800 568826542 /nfs/dbraw/zinc/82/65/42/568826542.db2.gz AYISYQQMXXNUDZ-UHFFFAOYSA-N -1 1 428.913 4.571 50 0 IJAAMM CC(C)CSc1nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2s1 ZINC000064747862 568950637 /nfs/dbraw/zinc/95/06/37/568950637.db2.gz NADPHGOISIXTRY-UHFFFAOYSA-N -1 1 436.580 4.616 50 0 IJAAMM O=C(NC1CCCCC1)N1CCc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc21 ZINC000064862052 568973887 /nfs/dbraw/zinc/97/38/87/568973887.db2.gz IAKRGJYQPGRIQV-UHFFFAOYSA-N -1 1 433.961 4.546 50 0 IJAAMM CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@H](c2c[nH]nc2-c2ccc(F)cc2)S1 ZINC000096117229 569384077 /nfs/dbraw/zinc/38/40/77/569384077.db2.gz 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Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC[C@@H](C(F)(F)F)C3)cc2)c1C ZINC000009931552 569573705 /nfs/dbraw/zinc/57/37/05/569573705.db2.gz DPOOCDPQYAKKMJ-QGZVFWFLSA-N -1 1 440.487 4.519 50 0 IJAAMM CC(C)c1cc(=O)[n-]c(-n2nc(C3CC3)cc2NC(=O)c2ccc(-c3ccccc3)cc2)n1 ZINC000012126217 519831039 /nfs/dbraw/zinc/83/10/39/519831039.db2.gz LJQUQXTWFPISLV-UHFFFAOYSA-N -1 1 439.519 4.876 50 0 IJAAMM CCc1c(C)nc(-n2nc(C3CC3)cc2NC(=O)c2ccc(-c3ccccc3)cc2)[n-]c1=O ZINC000012127880 523710407 /nfs/dbraw/zinc/71/04/07/523710407.db2.gz PXZMDILEBCFLJB-UHFFFAOYSA-N -1 1 439.519 4.623 50 0 IJAAMM Cc1ccc(N2C(=O)CS[C@H]2c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000035910967 524920610 /nfs/dbraw/zinc/92/06/10/524920610.db2.gz RYABNWYMQARNQM-QHCPKHFHSA-N -1 1 438.574 4.883 50 0 IJAAMM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)cc1Cl ZINC000012623536 525240158 /nfs/dbraw/zinc/24/01/58/525240158.db2.gz DQAIPUOIFQXILX-UHFFFAOYSA-N -1 1 436.867 4.980 50 0 IJAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc([C@H]3SCC(=O)N3c3ccccc3F)c2)cc1 ZINC000035910251 525614726 /nfs/dbraw/zinc/61/47/26/525614726.db2.gz MOZALBPPNGQJAI-JOCHJYFZSA-N -1 1 442.537 4.714 50 0 IJAAMM Nc1c(Cl)cc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1Cl ZINC000012532609 527432330 /nfs/dbraw/zinc/43/23/30/527432330.db2.gz ZGFNHDXRTLKZGF-UHFFFAOYSA-N -1 1 436.320 4.629 50 0 IJAAMM O=c1nc(N2CCc3ccccc3C2)[n-]c2c(-c3cccc(Br)c3)csc21 ZINC000042379796 527439603 /nfs/dbraw/zinc/43/96/03/527439603.db2.gz GCFBXBYXLUCWIY-UHFFFAOYSA-N -1 1 438.350 4.977 50 0 IJAAMM O=c1cc(-c2ccccc2)nc(SCc2nc(-c3ccc(Br)cc3)no2)[n-]1 ZINC000012414991 527474495 /nfs/dbraw/zinc/47/44/95/527474495.db2.gz XHWFRQAHDSYFOW-UHFFFAOYSA-N -1 1 441.310 4.542 50 0 IJAAMM O=C(Nc1ccc(Br)cc1)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000000805451 555559938 /nfs/dbraw/zinc/55/99/38/555559938.db2.gz CHKSOAQINKFOMG-UHFFFAOYSA-N -1 1 431.311 4.502 50 0 IJAAMM O=C(Nc1ccccc1)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000000869672 555575057 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BDQKQMBEJPKGEG-QFIPXVFZSA-N -1 1 445.500 4.770 50 0 IJAAMM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4cccs4)c3[C@@H]2c2cccc(O)c2)cc1 ZINC000008595451 556190302 /nfs/dbraw/zinc/19/03/02/556190302.db2.gz BDQKQMBEJPKGEG-QFIPXVFZSA-N -1 1 445.500 4.770 50 0 IJAAMM COc1cc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C)cc3)cc2)ccc1NC(C)=O ZINC000008746750 556210111 /nfs/dbraw/zinc/21/01/11/556210111.db2.gz RVGXYKUSJOCNGP-UHFFFAOYSA-N -1 1 426.494 4.555 50 0 IJAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccco4)c3[C@H]2c2ccc(OC)cc2)cc1 ZINC000009679506 556305778 /nfs/dbraw/zinc/30/57/78/556305778.db2.gz DDOYTLHGRQOAON-HSZRJFAPSA-N -1 1 443.459 4.605 50 0 IJAAMM COc1cc(S(=O)(=O)[N-]c2ccc(Oc3cccc(C)c3)cc2)ccc1NC(C)=O ZINC000014093860 556366152 /nfs/dbraw/zinc/36/61/52/556366152.db2.gz NQFPOIVDMWMIOU-UHFFFAOYSA-N -1 1 426.494 4.555 50 0 IJAAMM O=C(Nc1ccccc1OC(F)(F)F)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000027822780 556433719 /nfs/dbraw/zinc/43/37/19/556433719.db2.gz CPSDLNCOGDWLOT-UHFFFAOYSA-N -1 1 436.411 4.638 50 0 IJAAMM Cc1nc(SCc2ccccc2)[n-]c(=O)c1CCC(=O)N1CCC[C@H]1Cc1ccccc1 ZINC000029981730 556487939 /nfs/dbraw/zinc/48/79/39/556487939.db2.gz QRANLDORBRKGJO-QFIPXVFZSA-N -1 1 447.604 4.537 50 0 IJAAMM Cn1nc(C(C)(C)C)c2c1-c1ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc1C2=O ZINC000033808225 556636656 /nfs/dbraw/zinc/63/66/56/556636656.db2.gz QCLYXGDQCHMFPG-UHFFFAOYSA-N -1 1 445.544 4.883 50 0 IJAAMM Cc1ccc(CSCC(=O)Nn2c(=O)c3c4c(sc3[n-]c2=S)C[C@H](C)CC4)cc1 ZINC000019643997 556838997 /nfs/dbraw/zinc/83/89/97/556838997.db2.gz XMTVHTAWQKHBAS-CYBMUJFWSA-N -1 1 445.635 4.557 50 0 IJAAMM C[C@@H]1CCc2c(sc3[n-]c(=S)n(NC(=O)c4cc5c(s4)CCCCC5)c(=O)c23)C1 ZINC000019643993 556839048 /nfs/dbraw/zinc/83/90/48/556839048.db2.gz ADMXNVRNWAWYFR-LLVKDONJSA-N -1 1 445.635 4.960 50 0 IJAAMM CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)[N-]c1cccc(C(C)=O)c1 ZINC000033173627 556883601 /nfs/dbraw/zinc/88/36/01/556883601.db2.gz NCKXNYGDFRDBOZ-UHFFFAOYSA-N -1 1 438.427 4.926 50 0 IJAAMM CC(=O)Nc1c(C)noc1/C=C\c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000033170611 556886200 /nfs/dbraw/zinc/88/62/00/556886200.db2.gz MBOZLSQNHGSDDW-KHPPLWFESA-N -1 1 425.510 4.529 50 0 IJAAMM COc1ccc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000023119198 557007147 /nfs/dbraw/zinc/00/71/47/557007147.db2.gz AXUXFUSVCZJVOG-JOCHJYFZSA-N -1 1 449.528 4.643 50 0 IJAAMM CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000033297864 557073631 /nfs/dbraw/zinc/07/36/31/557073631.db2.gz BXVYRSIOGPELNA-XFXZXTDPSA-N -1 1 445.928 4.956 50 0 IJAAMM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3)c3ccccc32)cc1 ZINC000003146695 557144316 /nfs/dbraw/zinc/14/43/16/557144316.db2.gz WRPLZERXEQKXIY-UHFFFAOYSA-N -1 1 432.501 4.902 50 0 IJAAMM COc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3C)C([O-])=C2ON1c1ccccc1 ZINC000018044649 557234320 /nfs/dbraw/zinc/23/43/20/557234320.db2.gz LBRWZPVCECDHRK-ZRBLBEILSA-N -1 1 448.906 4.708 50 0 IJAAMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(SC)c(C(=O)N2CCCC2)c1 ZINC000026115093 557234919 /nfs/dbraw/zinc/23/49/19/557234919.db2.gz VXWGKPIHKFGTHA-UHFFFAOYSA-N -1 1 432.611 4.570 50 0 IJAAMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N(C)Cc2ccccc2Br)c1 ZINC000023572665 557366883 /nfs/dbraw/zinc/36/68/83/557366883.db2.gz NNBAKFKOGGFHBL-UHFFFAOYSA-N -1 1 445.386 4.727 50 0 IJAAMM COc1ccccc1[C@@H]1[C@H]2C(=O)N(c3cccc(Cl)c3C)C([O-])=C2ON1c1ccccc1 ZINC000102736069 557373301 /nfs/dbraw/zinc/37/33/01/557373301.db2.gz LBRWZPVCECDHRK-DNVJHFABSA-N -1 1 448.906 4.708 50 0 IJAAMM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102757518 557384337 /nfs/dbraw/zinc/38/43/37/557384337.db2.gz KGRDTHKAUXVLSN-UBFVSLLYSA-N -1 1 442.515 4.917 50 0 IJAAMM Cc1ccc(-n2nc3c4cc(C(=O)NCc5ccccc5F)ccc4[n-]cc-3c2=O)cc1C ZINC000101282136 557456244 /nfs/dbraw/zinc/45/62/44/557456244.db2.gz JNDLTGDYYUSFJL-UHFFFAOYSA-N -1 1 440.478 4.505 50 0 IJAAMM CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCCCCC4)nn3)cc2)cc1 ZINC000008610117 562958078 /nfs/dbraw/zinc/95/80/78/562958078.db2.gz UCYFYQPSANUEGE-UHFFFAOYSA-N -1 1 436.581 4.887 50 0 IJAAMM C[C@H]1CCCCN1c1nnc([N-]C(=O)c2cc(-c3ccc(Br)cc3)on2)s1 ZINC000008670379 562960642 /nfs/dbraw/zinc/96/06/42/562960642.db2.gz YWDBPOCLUIMCRE-NSHDSACASA-N -1 1 448.346 4.587 50 0 aggregator IJAAMM CCc1cccc(CC)c1NC(=O)[C@@H]([N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000008690706 562963224 /nfs/dbraw/zinc/96/32/24/562963224.db2.gz AYDCGXFUTQPEON-NRFANRHFSA-N -1 1 428.579 4.531 50 0 aggregator IJAAMM Cc1nnc2c3ccccc3c(-c3ccc(C)c([N-]S(=O)(=O)c4ccc(C)cc4)c3)nn12 ZINC000009453120 562971388 /nfs/dbraw/zinc/97/13/88/562971388.db2.gz DUHVPZITTCDBTI-UHFFFAOYSA-N -1 1 443.532 4.671 50 0 IJAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(N4CCCCCC4)nn3)c2)cc1C ZINC000015941577 563019543 /nfs/dbraw/zinc/01/95/43/563019543.db2.gz SLIIYKZKTBJQNC-UHFFFAOYSA-N -1 1 436.581 4.942 50 0 IJAAMM Cc1cccn2cc(-c3cccc([N-]S(=O)(=O)c4ccc(Br)cc4)c3)nc12 ZINC000000936129 568638731 /nfs/dbraw/zinc/63/87/31/568638731.db2.gz JHHHMJIPAMAZRV-UHFFFAOYSA-N -1 1 442.338 4.873 50 0 IJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCC(C)CC4)nn3)cc2)cc1C ZINC000015882191 568856828 /nfs/dbraw/zinc/85/68/28/568856828.db2.gz HVDSBSSPXDJQNR-UHFFFAOYSA-N -1 1 436.581 4.798 50 0 IJAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1 ZINC000015976976 568861328 /nfs/dbraw/zinc/86/13/28/568861328.db2.gz GUVVESNQMLIQKZ-UHFFFAOYSA-N -1 1 448.466 4.745 50 0 IJAAMM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(=O)NC1CCCCC1 ZINC000064862250 568974146 /nfs/dbraw/zinc/97/41/46/568974146.db2.gz FYABOFWKFIIVEC-UHFFFAOYSA-N -1 1 441.597 4.763 50 0 IJAAMM CCCCCNC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)nc1 ZINC000065063372 569097918 /nfs/dbraw/zinc/09/79/18/569097918.db2.gz CGGAOZVHGPEXNF-UHFFFAOYSA-N -1 1 439.537 4.595 50 0 IJAAMM CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)c1 ZINC000065116313 569107335 /nfs/dbraw/zinc/10/73/35/569107335.db2.gz WNPRBMXNOYUOLE-UHFFFAOYSA-N -1 1 447.944 4.933 50 0 IJAAMM CCCN1c2ncccc2Oc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2C1=O ZINC000065241617 569118923 /nfs/dbraw/zinc/11/89/23/569118923.db2.gz YDWIEDQVESLKIK-UHFFFAOYSA-N -1 1 443.912 4.698 50 0 IJAAMM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000065553109 569139730 /nfs/dbraw/zinc/13/97/30/569139730.db2.gz LLZUXVKUGIWSGG-UHFFFAOYSA-N -1 1 442.874 4.883 50 0 IJAAMM O=c1cc2c(c3occ(-c4ccc(Cl)cc4)c([O-])c1-3)[C@H](c1ccc(O)cc1)CC(=O)O2 ZINC000253405843 569265323 /nfs/dbraw/zinc/26/53/23/569265323.db2.gz INJBCGBDHLDEOD-INIZCTEOSA-N -1 1 434.831 4.966 50 0 biogenic IJAAMM COc1ccc(-c2nc(N)nc(C(F)(F)F)c2-c2ccc(Br)cc2)c([O-])c1 ZINC000002437802 569303947 /nfs/dbraw/zinc/30/39/47/569303947.db2.gz UJAAVYJJOOZKGA-UHFFFAOYSA-N -1 1 440.219 4.888 50 0 IJAAMM C[C@@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1cccc(C(F)(F)F)c1 ZINC000008720253 569471570 /nfs/dbraw/zinc/47/15/70/569471570.db2.gz WPAVSOBQNQRTNW-OAHLLOKOSA-N -1 1 448.466 4.997 50 0 IJAAMM COc1ccc(Oc2cnc(N)nc2-c2ccc(OCc3ccccc3F)cc2[O-])cc1 ZINC000009346449 569524224 /nfs/dbraw/zinc/52/42/24/569524224.db2.gz CUPXDNFHZWONLZ-UHFFFAOYSA-N -1 1 433.439 4.950 50 0 IJAAMM CCSc1ncc(Cl)c(C(=O)[N-]c2nnc(SCc3ccccc3C)s2)n1 ZINC000009431802 569534320 /nfs/dbraw/zinc/53/43/20/569534320.db2.gz FYXXHXYOZDDJIL-UHFFFAOYSA-N -1 1 438.003 4.947 50 0 IJAAMM Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c1 ZINC000009526072 569544522 /nfs/dbraw/zinc/54/45/22/569544522.db2.gz ZTKOTTCJLTVGNJ-UHFFFAOYSA-N -1 1 445.338 4.811 50 0 IJAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCCn3ccc4ccccc43)c2)cc1 ZINC000009595872 569550776 /nfs/dbraw/zinc/55/07/76/569550776.db2.gz IADPQHQBKVFJRA-UHFFFAOYSA-N -1 1 447.560 4.571 50 0 IJAAMM CC(C)(C)c1ccc(OCCSc2nc(-c3cccc(F)c3)nc3cc(=O)[n-]n32)cc1 ZINC000009641010 569555529 /nfs/dbraw/zinc/55/55/29/569555529.db2.gz YEBQGWGGVPRMKQ-UHFFFAOYSA-N -1 1 438.528 4.692 50 0 IJAAMM Cc1cc(=O)[n-]c(SCC(=O)N2c3ccccc3[C@@](C)(c3ccccc3)CC2(C)C)n1 ZINC000009553930 132321329 /nfs/dbraw/zinc/32/13/29/132321329.db2.gz FFZVCNDQSMDLBL-RUZDIDTESA-N -1 1 433.577 4.692 50 0 IJAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3noc(-c4ccc(C)c(F)c4)n3)cc2)cc1 ZINC000033276462 525081215 /nfs/dbraw/zinc/08/12/15/525081215.db2.gz YDPPISUOHZKFBG-UHFFFAOYSA-N -1 1 439.468 4.661 50 0 IJAAMM COc1ccc(S(=O)(=O)[N-]c2ccccc2SCc2ccccc2)cc1NC(C)=O ZINC000012605625 525089944 /nfs/dbraw/zinc/08/99/44/525089944.db2.gz ATGWGEKFFWUDCJ-UHFFFAOYSA-N -1 1 442.562 4.747 50 0 IJAAMM O=C(CCC(=O)c1cccs1)Nc1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000009631144 526390701 /nfs/dbraw/zinc/39/07/01/526390701.db2.gz GUJPDJMXKMOQKR-UHFFFAOYSA-N -1 1 448.953 4.804 50 0 IJAAMM O=C1C[C@H](c2ccc(F)cc2F)c2c(=O)[n-]c(SCc3cccc(Cl)c3)nc2N1 ZINC000021784932 527031504 /nfs/dbraw/zinc/03/15/04/527031504.db2.gz GLKQRAFSFQLGNN-CQSZACIVSA-N -1 1 433.867 4.880 50 0 IJAAMM Cn1c2ccccc2nc1CCc1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000021357121 527115451 /nfs/dbraw/zinc/11/54/51/527115451.db2.gz AMOXEWBDDOBPBE-UHFFFAOYSA-N -1 1 425.941 4.813 50 0 IJAAMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1cccs1 ZINC000001044714 555610860 /nfs/dbraw/zinc/61/08/60/555610860.db2.gz ZHSGAWKOVBYIOD-UHFFFAOYSA-N -1 1 426.441 4.820 50 0 IJAAMM O=c1c2c(n3c([S-])nnc3n1Cc1ccccc1)-c1ccccc1CC21CCCCC1 ZINC000002277542 555764664 /nfs/dbraw/zinc/76/46/64/555764664.db2.gz WURWMUJJLZFYFP-UHFFFAOYSA-N -1 1 428.561 4.653 50 0 IJAAMM O=S(=O)([N-]c1cccc(-c2cn3cccnc3n2)c1)c1ccc(-c2ccccc2)cc1 ZINC000008439647 556175849 /nfs/dbraw/zinc/17/58/49/556175849.db2.gz FNOHOTFKHHKGGA-UHFFFAOYSA-N -1 1 426.501 4.864 50 0 aggregator IJAAMM CC(C)OCCCN1C(=O)c2[nH]nc(-c3cc(Cl)ccc3[O-])c2[C@@H]1c1ccccc1F ZINC000027991747 556440090 /nfs/dbraw/zinc/44/00/90/556440090.db2.gz QDBAOYDKHNJIEY-QFIPXVFZSA-N -1 1 443.906 4.935 50 0 IJAAMM COc1cccc([C@@H]2[C@@H]3C(=O)N(c4c(C)cc(C)cc4C)C([O-])=C3ON2c2ccccc2)c1 ZINC000013648154 556544750 /nfs/dbraw/zinc/54/47/50/556544750.db2.gz GCMPOJXQRBLRKU-CAOCKLPOSA-N -1 1 442.515 4.672 50 0 IJAAMM Cc1cccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC4CCCCCC4)CC3)cc2)c1 ZINC000033115403 556554963 /nfs/dbraw/zinc/55/49/63/556554963.db2.gz JDWDOTQTAKUCJN-UHFFFAOYSA-N -1 1 426.582 4.666 50 0 IJAAMM O=S(=O)([N-]c1ccc(-c2cn3cccnc3n2)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000016447657 556608082 /nfs/dbraw/zinc/60/80/82/556608082.db2.gz GZIMQBFMZGXZOH-UHFFFAOYSA-N -1 1 442.500 4.989 50 0 IJAAMM O=C(Nc1cc(-c2cccs2)nn1-c1nc(-c2ccccc2)cc(=O)[n-]1)C1CCCCC1 ZINC000011855221 556662060 /nfs/dbraw/zinc/66/20/60/556662060.db2.gz MOIFCCSXERWHTD-UHFFFAOYSA-N -1 1 445.548 4.870 50 0 IJAAMM COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1-c1noc(C2CCCCC2)n1 ZINC000033013451 556664132 /nfs/dbraw/zinc/66/41/32/556664132.db2.gz GORWBOPVYRUGHJ-UHFFFAOYSA-N -1 1 427.526 4.902 50 0 IJAAMM C[C@@H]1CCc2c(C(=O)Nn3c(=O)c4c([n-]c3=S)sc3c4CCCCC3)csc2C1 ZINC000019644003 556838977 /nfs/dbraw/zinc/83/89/77/556838977.db2.gz PMPIINVQNYEVGJ-LLVKDONJSA-N -1 1 445.635 4.960 50 0 IJAAMM COc1ccc(S(=O)(=O)[N-]c2nn(Cc3ccc(Cl)c(Cl)c3)cc2Cl)cc1 ZINC000019645344 556839868 /nfs/dbraw/zinc/83/98/68/556839868.db2.gz RUKHBAVXCOGWKF-UHFFFAOYSA-N -1 1 446.743 4.701 50 0 IJAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccc3cc(C)ccc3n2)cc1 ZINC000033113759 556860689 /nfs/dbraw/zinc/86/06/89/556860689.db2.gz RJTSVVJGSWOSGM-UHFFFAOYSA-N -1 1 431.517 4.969 50 0 IJAAMM CC(C)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3cccc(F)c3)cc2)cc1 ZINC000033130298 556870195 /nfs/dbraw/zinc/87/01/95/556870195.db2.gz CGVLZSXEHPRYQK-UHFFFAOYSA-N -1 1 426.513 4.679 50 0 IJAAMM Cc1noc(C)c1CSc1ccccc1C(=O)Nc1nc(Br)ccc1[O-] ZINC000097163197 556994220 /nfs/dbraw/zinc/99/42/20/556994220.db2.gz PKHMGYUAOQMMRL-UHFFFAOYSA-N -1 1 434.315 4.699 50 0 IJAAMM COc1ccc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000023119196 557007155 /nfs/dbraw/zinc/00/71/55/557007155.db2.gz AXUXFUSVCZJVOG-QFIPXVFZSA-N -1 1 449.528 4.643 50 0 IJAAMM Cc1ccc(CSc2nc(CC(=O)NCc3cccc(C(F)(F)F)c3)cc(=O)[n-]2)cc1 ZINC000033313186 557098220 /nfs/dbraw/zinc/09/82/20/557098220.db2.gz BYDDJAVSNYQWIR-UHFFFAOYSA-N -1 1 447.482 4.661 50 0 IJAAMM COc1cccc([C@@H]2[C@H]3C(=O)N(c4c(C)cc(C)cc4C)C([O-])=C3ON2c2ccccc2)c1 ZINC000102706396 557366520 /nfs/dbraw/zinc/36/65/20/557366520.db2.gz GCMPOJXQRBLRKU-QLBJFCOMSA-N -1 1 442.515 4.672 50 0 IJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCCCCC4)nn3)cc2)cc1C ZINC000008610101 562958109 /nfs/dbraw/zinc/95/81/09/562958109.db2.gz WILDHXRGZUISAT-UHFFFAOYSA-N -1 1 436.581 4.942 50 0 IJAAMM CCCOc1ccccc1[C@@H]1CC(=O)Nc2nc(SCc3ccccc3C)[n-]c(=O)c21 ZINC000086057016 568642059 /nfs/dbraw/zinc/64/20/59/568642059.db2.gz OPFABTYRDDBAIC-SFHVURJKSA-N -1 1 435.549 4.634 50 0 IJAAMM CCCC(=O)Nc1nc2cc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)ccc2s1 ZINC000015870395 568851710 /nfs/dbraw/zinc/85/17/10/568851710.db2.gz LMJBPLXIYJKERL-UHFFFAOYSA-N -1 1 429.567 4.715 50 0 IJAAMM C[C@@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)c1ccccc1 ZINC000006250865 568880885 /nfs/dbraw/zinc/88/08/85/568880885.db2.gz ZSUHWPCPDKNNLQ-OAHLLOKOSA-N -1 1 448.466 4.997 50 0 IJAAMM Cc1c(-c2nnc(C3CCC3)o2)c(S(=O)(=O)[N-]c2cccc(Cl)c2F)c(C)n1C ZINC000065194190 569114679 /nfs/dbraw/zinc/11/46/79/569114679.db2.gz XIYMLONFSWSQHM-UHFFFAOYSA-N -1 1 438.912 4.553 50 0 IJAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3ccccc3OC)CC(=O)O4)c2=O)cc1 ZINC000079191168 569328033 /nfs/dbraw/zinc/32/80/33/569328033.db2.gz WCMVYNKTKQQHLV-QGZVFWFLSA-N -1 1 444.439 4.624 50 0 biogenic IJAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2ccccc2OC)cc1 ZINC000079191168 569328034 /nfs/dbraw/zinc/32/80/34/569328034.db2.gz WCMVYNKTKQQHLV-QGZVFWFLSA-N -1 1 444.439 4.624 50 0 biogenic IJAAMM Cc1ccc(C[C@H](C)NC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)s1 ZINC000095466963 569371071 /nfs/dbraw/zinc/37/10/71/569371071.db2.gz QGSXRZATTFJZDX-HNNXBMFYSA-N -1 1 429.567 4.610 50 0 IJAAMM COc1ccc([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3[C@H]2CCOC(C)(C)C2)c(OC)c1OC ZINC000095475025 569372610 /nfs/dbraw/zinc/37/26/10/569372610.db2.gz OJAXOPYCUPNWGW-DJJJIMSYSA-N -1 1 447.557 4.631 50 0 IJAAMM CC(Cl)(Cl)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000003165932 569441107 /nfs/dbraw/zinc/44/11/07/569441107.db2.gz SXSKDDRIXBKNJI-UHFFFAOYSA-N -1 1 441.258 4.639 50 0 IJAAMM O=C(Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1)Nc1cccc(OC(F)(F)F)c1 ZINC000031033519 569452741 /nfs/dbraw/zinc/45/27/41/569452741.db2.gz BXTLUJNBGMBKNM-UHFFFAOYSA-N -1 1 428.823 4.798 50 0 IJAAMM O=C(Nc1nccs1)c1cc2ccc([O-])cc2o/c1=N\c1cccc(OC(F)(F)F)c1 ZINC000067298175 569468052 /nfs/dbraw/zinc/46/80/52/569468052.db2.gz FZDUTGYUJONDGY-BWAHOGKJSA-N -1 1 447.394 4.978 50 0 IJAAMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2Cc1ccccc1 ZINC000008840687 569478404 /nfs/dbraw/zinc/47/84/04/569478404.db2.gz PRSGUHXWSLMMMK-UHFFFAOYSA-N -1 1 440.952 4.929 50 0 IJAAMM COc1ccccc1NC(=O)Nc1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000040161269 569495142 /nfs/dbraw/zinc/49/51/42/569495142.db2.gz HESWIPNOFMEFGG-UHFFFAOYSA-N -1 1 431.901 4.793 50 0 IJAAMM COc1ccc(COc2ccc(-c3nc(N)ncc3-c3ccccc3OC)c([O-])c2)cc1 ZINC000009410048 569531288 /nfs/dbraw/zinc/53/12/88/569531288.db2.gz GEFRBUPHFGPAAY-UHFFFAOYSA-N -1 1 429.476 4.695 50 0 IJAAMM CSc1ncc(Cl)c(C(=O)[N-]c2nnc(SCc3ccccc3Cl)s2)n1 ZINC000009431767 569534272 /nfs/dbraw/zinc/53/42/72/569534272.db2.gz JAAJGYXJSOPINZ-UHFFFAOYSA-N -1 1 444.394 4.901 50 0 IJAAMM Cc1c2ccc([O-])cc2oc(=O)c1CCC(=O)NCC(c1ccccc1)c1ccccc1 ZINC000009451879 569536449 /nfs/dbraw/zinc/53/64/49/569536449.db2.gz JUZGYMGPYVCESO-UHFFFAOYSA-N -1 1 427.500 4.688 50 0 IJAAMM Cc1cc(C)cc(OCCSc2nc(-c3ccccc3Cl)nc3cc(=O)[n-]n32)c1 ZINC000009640795 569555468 /nfs/dbraw/zinc/55/54/68/569555468.db2.gz CJNHYTYNNPEAHL-UHFFFAOYSA-N -1 1 426.929 4.526 50 0 IJAAMM CN(Cc1ccco1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000009672095 569558739 /nfs/dbraw/zinc/55/87/39/569558739.db2.gz WZIFIJSXGOVRGB-UHFFFAOYSA-N -1 1 439.320 4.659 50 0 IJAAMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1cccc2cccnc21 ZINC000009672356 569558780 /nfs/dbraw/zinc/55/87/80/569558780.db2.gz RGAZGJGBMLTGLW-UHFFFAOYSA-N -1 1 439.443 4.566 50 0 IJAAMM CCc1cc2c(cc1S(=O)(=O)[N-]c1ccc(-c3ccno3)cc1)[nH]c1c2C(=O)CCC1 ZINC000009685970 569560691 /nfs/dbraw/zinc/56/06/91/569560691.db2.gz NEDQPDHTGJLPQL-UHFFFAOYSA-N -1 1 435.505 4.705 50 0 IJAAMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cccc(Br)c1 ZINC000009903437 569573063 /nfs/dbraw/zinc/57/30/63/569573063.db2.gz IIXGNRHFPMTYHS-UHFFFAOYSA-N -1 1 431.311 4.502 50 0 IJAAMM CCOC(=O)c1ccc(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2c(C)noc2C)cc1 ZINC000035671808 521517530 /nfs/dbraw/zinc/51/75/30/521517530.db2.gz FKTPRMAMYGOXMU-UHFFFAOYSA-N -1 1 447.447 4.719 50 0 IJAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)NC1CCCCC1 ZINC000012624118 525080932 /nfs/dbraw/zinc/08/09/32/525080932.db2.gz CNCXZILOXYIFLU-UHFFFAOYSA-N -1 1 437.949 4.604 50 0 IJAAMM O=C1C[C@@H](c2cccc(F)c2F)c2c(=O)[n-]c(SCc3ccc(Cl)cc3)nc2N1 ZINC000021784895 527022896 /nfs/dbraw/zinc/02/28/96/527022896.db2.gz XFXKJWJHPOJMSP-ZDUSSCGKSA-N -1 1 433.867 4.880 50 0 IJAAMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)Nc1ccc(Cl)cc1F ZINC000022407449 527237374 /nfs/dbraw/zinc/23/73/74/527237374.db2.gz NFGOMANJQDIVBH-UHFFFAOYSA-N -1 1 436.867 4.600 50 0 IJAAMM CCc1cccc(CC)c1NC(=O)CSc1nnc(-c2cc(Cl)ccc2[O-])n1C ZINC000001140776 555649765 /nfs/dbraw/zinc/64/97/65/555649765.db2.gz WRSQJCFHLCLHJS-UHFFFAOYSA-N -1 1 430.961 4.697 50 0 IJAAMM Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000001150726 555656140 /nfs/dbraw/zinc/65/61/40/555656140.db2.gz XYZYWLDLFVRWPE-UHFFFAOYSA-N -1 1 445.338 4.811 50 0 IJAAMM O=C([N-]c1ncn(Cc2ccccc2F)n1)c1cc(-c2ccc(Cl)cc2Cl)on1 ZINC000002799791 556142145 /nfs/dbraw/zinc/14/21/45/556142145.db2.gz YDCRFKCAFXVKRE-UHFFFAOYSA-N -1 1 432.242 4.680 50 0 IJAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccco4)c3[C@@H]2c2ccccc2OC)cc1 ZINC000008595772 556190614 /nfs/dbraw/zinc/19/06/14/556190614.db2.gz FKHLIPZHWJWUCR-QHCPKHFHSA-N -1 1 443.459 4.605 50 0 aggregator IJAAMM CCSc1ncc(Cl)c(C(=O)[N-]c2nnc(SCc3ccccc3F)s2)n1 ZINC000009431806 556291185 /nfs/dbraw/zinc/29/11/85/556291185.db2.gz JCLYSLAZMDMTQC-UHFFFAOYSA-N -1 1 441.966 4.777 50 0 IJAAMM CC(C)CNC(=S)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000013937407 556336985 /nfs/dbraw/zinc/33/69/85/556336985.db2.gz GGOFVILOWNSGOC-UHFFFAOYSA-N -1 1 432.398 4.737 50 0 IJAAMM CCCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(Cl)cc1)C(C(=O)OC(C)C)=C(C)N2 ZINC000013112491 556464834 /nfs/dbraw/zinc/46/48/34/556464834.db2.gz LLZPJPNRLOJOSC-MRXNPFEDSA-N -1 1 433.961 4.708 50 0 IJAAMM CCCCSc1nc2c(c(=O)[n-]1)[C@H](c1cccc(F)c1)C(C(=O)OC(C)C)=C(C)N2 ZINC000013117847 556470775 /nfs/dbraw/zinc/47/07/75/556470775.db2.gz NZJXLEMLIWNYLD-QGZVFWFLSA-N -1 1 431.533 4.584 50 0 IJAAMM Cc1ccccc1COc1ccc([C@@H]2CC(=O)Nc3nc(-c4ccccc4)[n-]c(=O)c32)cc1 ZINC000013607643 556533602 /nfs/dbraw/zinc/53/36/02/556533602.db2.gz YNEUGJCGXNCEBK-QFIPXVFZSA-N -1 1 437.499 4.798 50 0 IJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC4CCCCC4)CC3)cc2)cc1Cl ZINC000033274823 556559472 /nfs/dbraw/zinc/55/94/72/556559472.db2.gz NANTXLYDSZRVOD-UHFFFAOYSA-N -1 1 447.000 4.930 50 0 IJAAMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(C2(C(=O)NCCCc3ccccc3)CC2)cc1 ZINC000015869577 556560371 /nfs/dbraw/zinc/56/03/71/556560371.db2.gz HYKMFCSAWRBXHA-UHFFFAOYSA-N -1 1 448.588 4.576 50 0 IJAAMM S=c1[n-]nc(C2CC2)n1CCNc1nc(-c2cccnc2)nc2sc3c(c21)CCCC3 ZINC000072307739 556562326 /nfs/dbraw/zinc/56/23/26/556562326.db2.gz UFBFHBPDOMIJQQ-UHFFFAOYSA-N -1 1 449.609 4.876 50 0 IJAAMM CCN(CC)c1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1 ZINC000016598709 556616710 /nfs/dbraw/zinc/61/67/10/556616710.db2.gz RHPVVRFFYUFIRI-UHFFFAOYSA-N -1 1 437.565 4.894 50 0 IJAAMM COc1ccc(-c2nn(Cc3ccccc3)cc2C=C2SC(=S)[N-]C2=O)cc1OC ZINC000017101542 556666085 /nfs/dbraw/zinc/66/60/85/556666085.db2.gz FWLREJWSKPGFSX-ODLFYWEKSA-N -1 1 437.546 4.945 50 0 IJAAMM COc1ccc(-c2csc3c2[n-]c(N2CCN(c4cccc(C)c4)[C@H](C)C2)nc3=O)cc1 ZINC000064392424 556823498 /nfs/dbraw/zinc/82/34/98/556823498.db2.gz ZTBYFVIYDOPWAD-QGZVFWFLSA-N -1 1 446.576 4.684 50 0 IJAAMM Cc1sc2[n-]c(=S)n(NC(=O)CSCc3ccc(F)cc3Cl)c(=O)c2c1C ZINC000019639602 556836945 /nfs/dbraw/zinc/83/69/45/556836945.db2.gz JGVLCKSUYDKANO-UHFFFAOYSA-N -1 1 443.978 4.533 50 0 IJAAMM CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)[N-]c1ccc(C(C)=O)cc1 ZINC000033173528 556883573 /nfs/dbraw/zinc/88/35/73/556883573.db2.gz OZWTWPANIOXWLQ-UHFFFAOYSA-N -1 1 438.427 4.926 50 0 IJAAMM Cc1c(-c2ccccc2)sc2nc(-c3cnn4c3nccc4C(F)(F)F)[n-]c(=O)c12 ZINC000048273937 557051249 /nfs/dbraw/zinc/05/12/49/557051249.db2.gz UCWLEINHSCRAHV-UHFFFAOYSA-N -1 1 427.411 4.689 50 0 IJAAMM Cc1nc(C)c(-c2nc(-c3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3)no2)s1 ZINC000033276430 557056811 /nfs/dbraw/zinc/05/68/11/557056811.db2.gz MVPASSQCVPUMDR-UHFFFAOYSA-N -1 1 426.523 4.586 50 0 IJAAMM Cc1cc(-c2nc3ccccc3s2)ccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000033289280 557071096 /nfs/dbraw/zinc/07/10/96/557071096.db2.gz SCGGNNDNWWYJET-UHFFFAOYSA-N -1 1 438.530 4.844 50 0 IJAAMM Cc1noc(/C=C/c2ccc(S(=O)(=O)[N-]c3ccccc3F)s2)c1NC(=O)C1CC1 ZINC000033306606 557085666 /nfs/dbraw/zinc/08/56/66/557085666.db2.gz CULTXEAHQLEQCI-CSKARUKUSA-N -1 1 447.513 4.503 50 0 IJAAMM Cc1ccc(CNC(=O)c2ccc3[n-]cc4c(=O)n(-c5ccc(Cl)cc5)nc-4c3c2)cc1 ZINC000101282239 557267151 /nfs/dbraw/zinc/26/71/51/557267151.db2.gz NSHLLMSXEXBWOU-UHFFFAOYSA-N -1 1 442.906 4.710 50 0 IJAAMM COc1ccc([C@H]2CC(c3c(=O)[nH]c(=S)n(C)c3[O-])=Nc3ccccc3S2)cc1 ZINC000101495521 557289239 /nfs/dbraw/zinc/28/92/39/557289239.db2.gz VDYBFOUEGLILCX-QGZVFWFLSA-N -1 1 425.535 4.515 50 0 IJAAMM C[C@H](NC(=O)c1ccc2[n-]cc3c(=O)n(-c4ccc(F)cc4)nc-3c2c1)c1ccc(F)cc1 ZINC000101828531 557300070 /nfs/dbraw/zinc/30/00/70/557300070.db2.gz PEDISNONBLWLPU-AWEZNQCLSA-N -1 1 444.441 4.588 50 0 IJAAMM CC[C@H](C)NC(=O)c1ccc(Sc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)nc1 ZINC000033138357 557325531 /nfs/dbraw/zinc/32/55/31/557325531.db2.gz WKALIQSIQMEXPX-INIZCTEOSA-N -1 1 441.578 4.562 50 0 IJAAMM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(-c2cc(C(F)(F)F)n[nH]2)sc1C ZINC000033173878 557326972 /nfs/dbraw/zinc/32/69/72/557326972.db2.gz CZSREFDTOCQIMZ-UHFFFAOYSA-N -1 1 431.461 4.583 50 0 IJAAMM CSc1nc2ccc([N-]S(=O)(=O)c3ccc(Br)c(C)c3)cc2s1 ZINC000014075453 557420201 /nfs/dbraw/zinc/42/02/01/557420201.db2.gz UXMQRELRADXIOW-UHFFFAOYSA-N -1 1 429.386 4.890 50 0 IJAAMM O=C(Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1[O-])c1cc2c(s1)CCC2 ZINC000034767658 568737957 /nfs/dbraw/zinc/73/79/57/568737957.db2.gz VABWDVOLNXXULO-UHFFFAOYSA-N -1 1 448.953 4.649 50 0 IJAAMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC34CC5CC(CC(C5)C3)C4)ccc2C)cc1 ZINC000012569821 568750343 /nfs/dbraw/zinc/75/03/43/568750343.db2.gz AVZKJHJAGRORFH-UHFFFAOYSA-N -1 1 438.593 4.803 50 0 IJAAMM CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCC(C)CC4)nn3)cc2)cc1 ZINC000015882201 568856855 /nfs/dbraw/zinc/85/68/55/568856855.db2.gz UPODWDAOFDBKBK-UHFFFAOYSA-N -1 1 436.581 4.743 50 0 IJAAMM [O-]c1c(Br)cc(C=NNc2cccc3cccnc32)c(Br)c1O ZINC000252616841 568926307 /nfs/dbraw/zinc/92/63/07/568926307.db2.gz KGRIBSOEMMNEPC-UHFFFAOYSA-N -1 1 437.091 4.617 50 0 IJAAMM Cc1nc2[n-]c(N(Cc3ccc(C(C)C)cc3)C(=O)c3ccccc3Cl)nn2c(=O)c1C ZINC000064813925 568963808 /nfs/dbraw/zinc/96/38/08/568963808.db2.gz MLEPCABMPZSMQY-UHFFFAOYSA-N -1 1 449.942 4.658 50 0 IJAAMM CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2C)c1 ZINC000065116262 569107310 /nfs/dbraw/zinc/10/73/10/569107310.db2.gz COBJIQRBCSTSAN-UHFFFAOYSA-N -1 1 447.944 4.933 50 0 IJAAMM C[C@]1(c2ccc(Cl)cc2Cl)[N-]C(=O)N(Cc2c(F)c(F)c(F)c(F)c2F)C1=O ZINC000013163960 569312400 /nfs/dbraw/zinc/31/24/00/569312400.db2.gz MDZDXWOSQADHEJ-QGZVFWFLSA-N -1 1 439.167 4.656 50 0 IJAAMM O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000095393815 569363560 /nfs/dbraw/zinc/36/35/60/569363560.db2.gz IJEPIIMERPHFHW-LJQANCHMSA-N -1 1 428.410 4.808 50 0 IJAAMM O=C(COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1)Nc1cccc2[nH]ccc21 ZINC000096115296 569383118 /nfs/dbraw/zinc/38/31/18/569383118.db2.gz HHSMFRIXBFYVIR-UHFFFAOYSA-N -1 1 426.428 4.664 50 0 biogenic IJAAMM O=C(COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)Nc1cccc2[nH]ccc21 ZINC000096115296 569383119 /nfs/dbraw/zinc/38/31/19/569383119.db2.gz HHSMFRIXBFYVIR-UHFFFAOYSA-N -1 1 426.428 4.664 50 0 biogenic IJAAMM O=S(=O)([N-]c1ccc2nc(SCc3cccnc3)sc2c1)c1ccc(F)cc1 ZINC000096399450 569400008 /nfs/dbraw/zinc/40/00/08/569400008.db2.gz RFRKNBKOZAKZFQ-UHFFFAOYSA-N -1 1 431.539 4.924 50 0 IJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(N2CCCCC2)N2CCCCC2)cc1 ZINC000096576772 569401502 /nfs/dbraw/zinc/40/15/02/569401502.db2.gz XPTHAMAIPDMUGZ-UHFFFAOYSA-N -1 1 427.614 4.766 50 0 IJAAMM O=C(CSc1nc2cc(Cl)ccc2c(=O)n1C1CCCC1)c1ccc([O-])cc1O ZINC000003436499 569451036 /nfs/dbraw/zinc/45/10/36/569451036.db2.gz XZKYNFLCDOWXRO-UHFFFAOYSA-N -1 1 430.913 4.551 50 0 IJAAMM O=C(Nc1nc(-c2cccs2)cs1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000008584251 569469165 /nfs/dbraw/zinc/46/91/65/569469165.db2.gz XWWQREDEPINYHI-UHFFFAOYSA-N -1 1 441.559 4.925 50 0 IJAAMM Cc1ccc2c(c1)N(C)C(=O)c1cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc1O2 ZINC000008961466 569491119 /nfs/dbraw/zinc/49/11/19/569491119.db2.gz KEQRWYDBPPIZEM-UHFFFAOYSA-N -1 1 428.897 4.832 50 0 IJAAMM CCCN1c2ccc([N-]S(=O)(=O)c3ccc(C)c(Cl)c3)cc2OCC(C)(C)C1=O ZINC000009167813 569509117 /nfs/dbraw/zinc/50/91/17/569509117.db2.gz HFHDCZMTWHXUKG-UHFFFAOYSA-N -1 1 436.961 4.611 50 0 IJAAMM Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)N(CCC(C)C)C(=O)C(C)(C)CO3)c1 ZINC000009174141 569509603 /nfs/dbraw/zinc/50/96/03/569509603.db2.gz ALRMGOXYCNMSPX-UHFFFAOYSA-N -1 1 430.570 4.594 50 0 IJAAMM Cc1nnsc1C(=O)[N-]c1c2ccccc2oc1C(=O)c1ccc(Br)cc1 ZINC000009250886 569515752 /nfs/dbraw/zinc/51/57/52/569515752.db2.gz XUQBEJSCXOZBSK-UHFFFAOYSA-N -1 1 442.294 4.839 50 0 IJAAMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)Nc1ccc2ccccc2c1 ZINC000009378593 569527641 /nfs/dbraw/zinc/52/76/41/569527641.db2.gz SDUIKHYZNRKJIS-UHFFFAOYSA-N -1 1 434.492 4.961 50 0 IJAAMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(Cl)c3)c2)cc1 ZINC000009646123 569556172 /nfs/dbraw/zinc/55/61/72/569556172.db2.gz MMSMVMFIIGUCCF-UHFFFAOYSA-N -1 1 430.913 4.792 50 0 IJAAMM O=C(c1ccco1)N1CCCc2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc21 ZINC000009569385 132234877 /nfs/dbraw/zinc/23/48/77/132234877.db2.gz RFTMJZBLHXUAAT-UHFFFAOYSA-N -1 1 432.501 4.827 50 0 IJAAMM CCc1cc(C(=O)Nn2c(=O)c3cc(Cc4ccccc4)sc3[n-]c2=S)cs1 ZINC000017095568 523779598 /nfs/dbraw/zinc/77/95/98/523779598.db2.gz OINYMKGJRSCRFS-UHFFFAOYSA-N -1 1 427.576 4.719 50 0 IJAAMM CCc1ccc(N2C(=O)CS[C@H]2c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000035912517 523961975 /nfs/dbraw/zinc/96/19/75/523961975.db2.gz NSUMSVGTEBNJPP-QHCPKHFHSA-N -1 1 438.574 4.828 50 0 IJAAMM COc1ccc(CNCc2c(C)n(-c3ccc(Cl)cc3)c(C)c2C(=O)[O-])c(OC)c1 ZINC000021024976 524072410 /nfs/dbraw/zinc/07/24/10/524072410.db2.gz CTIWQULTCCFTDA-UHFFFAOYSA-N -1 1 428.916 4.753 50 0 IJAAMM Cc1cc(C)c2nc(SCC(=O)[N-]C(=O)c3ccc(OC(F)F)cc3)cc(C)c2c1 ZINC000012542614 524352145 /nfs/dbraw/zinc/35/21/45/524352145.db2.gz LXWVLKICCZQLJD-UHFFFAOYSA-N -1 1 430.476 4.810 50 0 IJAAMM COc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000012508192 524628203 /nfs/dbraw/zinc/62/82/03/524628203.db2.gz WCFDUMKKPMDWJE-UHFFFAOYSA-N -1 1 436.533 4.627 50 0 IJAAMM C[C@H](NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)c1ccc(Cl)cc1 ZINC000012605279 524988819 /nfs/dbraw/zinc/98/88/19/524988819.db2.gz SVIUSLJRXZVIJD-HNNXBMFYSA-N -1 1 446.931 4.700 50 0 IJAAMM Cc1cc(S(=O)(=O)[N-]c2cccc(-c3ccc(N4CCCC4)nn3)c2)c(C)cc1Cl ZINC000020554861 525423204 /nfs/dbraw/zinc/42/32/04/525423204.db2.gz ATJICCWRSYZJSK-UHFFFAOYSA-N -1 1 442.972 4.815 50 0 IJAAMM C[C@@H](c1ccccc1)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000012536240 526085549 /nfs/dbraw/zinc/08/55/49/526085549.db2.gz SYPUITBWPKCPTL-HNNXBMFYSA-N -1 1 430.476 4.599 50 0 IJAAMM O=C1CS[C@@H](c2cccc([N-]S(=O)(=O)c3ccc(F)cc3)c2)N1c1ccc(F)cc1 ZINC000035910278 527017279 /nfs/dbraw/zinc/01/72/79/527017279.db2.gz QUEOKEMFJUWGLN-NRFANRHFSA-N -1 1 446.500 4.544 50 0 IJAAMM O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000021877086 527240162 /nfs/dbraw/zinc/24/01/62/527240162.db2.gz ZWJUWKCLVGRBLE-UHFFFAOYSA-N -1 1 436.411 4.638 50 0 IJAAMM O=c1oc2c(cc([N-]S(=O)(=O)c3ccc(Br)cc3)c3ccccc23)s1 ZINC000000645716 555520805 /nfs/dbraw/zinc/52/08/05/555520805.db2.gz AGMBLTBTBRRXIZ-UHFFFAOYSA-N -1 1 436.308 4.571 50 0 IJAAMM Cc1cc(S(=O)(=O)[N-]c2ccccc2C)c(C)c(S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000000808531 555560217 /nfs/dbraw/zinc/56/02/17/555560217.db2.gz YZMGTZSINMYRHA-UHFFFAOYSA-N -1 1 449.981 4.899 50 0 IJAAMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1ccc(F)cc1 ZINC000000980275 555593099 /nfs/dbraw/zinc/59/30/99/555593099.db2.gz BFMXVIHTAZJZIT-UHFFFAOYSA-N -1 1 449.301 4.641 50 0 IJAAMM Cc1cc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc(C)c1Cl ZINC000001118324 555635768 /nfs/dbraw/zinc/63/57/68/555635768.db2.gz FHEBUQLXIWAEOW-UHFFFAOYSA-N -1 1 444.940 4.775 50 0 IJAAMM O=S(=O)([N-]c1ccc2c(c1)ncn2-c1ccccc1)c1ccc(Br)cc1 ZINC000001128309 555642615 /nfs/dbraw/zinc/64/26/15/555642615.db2.gz LXOLMYVNSVTFRM-UHFFFAOYSA-N -1 1 428.311 4.589 50 0 IJAAMM COc1ccc(C)cc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1 ZINC000002880246 555854521 /nfs/dbraw/zinc/85/45/21/555854521.db2.gz TULLZDRBQJVZNS-UHFFFAOYSA-N -1 1 438.549 4.982 50 0 IJAAMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCc3ccccc3Cl)ccc2C)c1 ZINC000002880776 555854988 /nfs/dbraw/zinc/85/49/88/555854988.db2.gz UCYPBDHXDHADNG-UHFFFAOYSA-N -1 1 442.968 4.996 50 0 IJAAMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccccc3Cl)ccc2C)c1 ZINC000002884740 555857489 /nfs/dbraw/zinc/85/74/89/555857489.db2.gz AAFMGEPWLXGSST-UHFFFAOYSA-N -1 1 428.941 4.688 50 0 IJAAMM COC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(F)cc1C)c1ccccc21 ZINC000008439318 556175455 /nfs/dbraw/zinc/17/54/55/556175455.db2.gz JLUHFTZJEVNUNU-UHFFFAOYSA-N -1 1 427.453 4.929 50 0 IJAAMM O=S(=O)([N-]c1ccc(-c2ccccc2)cc1)c1ccc(I)cc1 ZINC000008834391 556225764 /nfs/dbraw/zinc/22/57/64/556225764.db2.gz HPCOHFZCFDEGDV-UHFFFAOYSA-N -1 1 435.286 4.759 50 0 IJAAMM CCCC[C@@]1(C2CCCCC2)Cc2ccccc2-c2nc(SCC(N)=O)[n-]c(=O)c21 ZINC000009333973 556282979 /nfs/dbraw/zinc/28/29/79/556282979.db2.gz MAZBSPJVUDEZSL-DEOSSOPVSA-N -1 1 425.598 4.579 50 0 IJAAMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc4c(c3)CCCN4C(C)=O)ccc21 ZINC000015243482 556513247 /nfs/dbraw/zinc/51/32/47/556513247.db2.gz IJGPBZNDPZXSIP-UHFFFAOYSA-N -1 1 447.560 4.914 50 0 IJAAMM CCCc1cc(=O)[n-]c(-n2nc(-c3cccs3)cc2NC(=O)CCCc2ccccc2)n1 ZINC000011854803 556661687 /nfs/dbraw/zinc/66/16/87/556661687.db2.gz FAHYSPNYKKCTNY-UHFFFAOYSA-N -1 1 447.564 4.598 50 0 IJAAMM Cc1[nH]c2ccccc2c1[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C([O-])=C2ON1c1ccccc1 ZINC000137819506 556698354 /nfs/dbraw/zinc/69/83/54/556698354.db2.gz LSSSCLSZTSZTQM-RBZQAINGSA-N -1 1 441.462 4.667 50 0 IJAAMM CCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2cccs2)CC3)cc1 ZINC000013696207 556711892 /nfs/dbraw/zinc/71/18/92/556711892.db2.gz YAYNNXWRIYVAST-UHFFFAOYSA-N -1 1 426.563 4.704 50 0 IJAAMM O=C(NC1CCCC1)c1ccc([N-]S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)cc1 ZINC000033130280 556870128 /nfs/dbraw/zinc/87/01/28/556870128.db2.gz WJDFDCIWWOZWBP-UHFFFAOYSA-N -1 1 438.524 4.966 50 0 IJAAMM CCOc1ccc([N-]S(=O)(=O)c2cc(-c3cc(C(F)(F)F)[nH]n3)sc2C)cc1 ZINC000033173817 556883996 /nfs/dbraw/zinc/88/39/96/556883996.db2.gz KMZMWHKZDDQQET-UHFFFAOYSA-N -1 1 431.461 4.665 50 0 IJAAMM CCOc1ccc([N-]S(=O)(=O)c2cc(-c3cc(C(F)(F)F)n[nH]3)sc2C)cc1 ZINC000033173817 556883998 /nfs/dbraw/zinc/88/39/98/556883998.db2.gz KMZMWHKZDDQQET-UHFFFAOYSA-N -1 1 431.461 4.665 50 0 IJAAMM Cc1sc2nc(-c3cnn4c3nccc4C(F)(F)F)[n-]c(=O)c2c1-c1ccc(F)cc1 ZINC000048274170 557051573 /nfs/dbraw/zinc/05/15/73/557051573.db2.gz WRJAWHALWYKCII-UHFFFAOYSA-N -1 1 445.401 4.828 50 0 IJAAMM CCc1cc(-c2csc(S(=O)(=O)[N-]c3ccc(C)cc3Br)c2)on1 ZINC000033290286 557068628 /nfs/dbraw/zinc/06/86/28/557068628.db2.gz ULDCBNUEUSGUAO-UHFFFAOYSA-N -1 1 427.345 4.837 50 0 IJAAMM C[C@H]1C[C@H](C)CN(C(=O)c2ccc3[n-]cc4c(=O)n(-c5ccc(Cl)cc5)nc-4c3c2)C1 ZINC000101827688 557299559 /nfs/dbraw/zinc/29/95/59/557299559.db2.gz NPXXUBMOPBVKSH-GJZGRUSLSA-N -1 1 434.927 4.590 50 0 IJAAMM Cc1cccc(-c2nc3cc(=O)[n-]n3c(SCCCOc3ccccc3Cl)n2)c1 ZINC000008603044 562955956 /nfs/dbraw/zinc/95/59/56/562955956.db2.gz LMWXVYYEJUBYSQ-UHFFFAOYSA-N -1 1 426.929 4.608 50 0 IJAAMM CCCOc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4C)[n-]c(=O)c32)cc1 ZINC000086056988 568642223 /nfs/dbraw/zinc/64/22/23/568642223.db2.gz XGEQVYZJANHZGR-LJQANCHMSA-N -1 1 435.549 4.634 50 0 IJAAMM CCc1ccccc1S(=O)(=O)[N-]c1ccc2sc(NC(=O)c3ccccc3)nc2c1 ZINC000015870205 568851770 /nfs/dbraw/zinc/85/17/70/568851770.db2.gz DAKWWBLOOWXBRL-UHFFFAOYSA-N -1 1 437.546 4.912 50 0 IJAAMM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCCC4)nn3)cc2)c(C)cc1Cl ZINC000015882152 568856805 /nfs/dbraw/zinc/85/68/05/568856805.db2.gz ORTOEJRIFOFBRC-UHFFFAOYSA-N -1 1 442.972 4.815 50 0 IJAAMM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3ccccc3F)c2oc1C(=O)N1CCCC1 ZINC000065010467 569088128 /nfs/dbraw/zinc/08/81/28/569088128.db2.gz XWNLPZLRNBZGRN-UHFFFAOYSA-N -1 1 430.501 4.534 50 0 IJAAMM CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1 ZINC000065116314 569107363 /nfs/dbraw/zinc/10/73/63/569107363.db2.gz MMXHSEHOUALJJK-UHFFFAOYSA-N -1 1 427.526 4.588 50 0 IJAAMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(c1)N(C(=O)c1cccs1)CC2 ZINC000013696257 569156563 /nfs/dbraw/zinc/15/65/63/569156563.db2.gz OBCUDVVRMWZUPY-UHFFFAOYSA-N -1 1 432.954 4.714 50 0 IJAAMM O=C(c1cccs1)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc21 ZINC000017169933 569175389 /nfs/dbraw/zinc/17/53/89/569175389.db2.gz BSNZVNQWCXSXOP-UHFFFAOYSA-N -1 1 432.954 4.795 50 0 IJAAMM COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3[C@@H]2CCOC(C)(C)C2)cc(OC)c1OC ZINC000095478039 569373300 /nfs/dbraw/zinc/37/33/00/569373300.db2.gz BIRKSJKFKIWXDT-KUHUBIRLSA-N -1 1 447.557 4.631 50 0 IJAAMM O=c1cc2c(c3occ(-c4ccc(O)cc4)c([O-])c1-3)[C@H](c1ccccc1Cl)CC(=O)O2 ZINC000096115485 569383297 /nfs/dbraw/zinc/38/32/97/569383297.db2.gz FZWHKSOURXMKAL-HNNXBMFYSA-N -1 1 434.831 4.966 50 0 biogenic IJAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(SCc4cccnc4)sc3c2)cc1 ZINC000096399451 569400092 /nfs/dbraw/zinc/40/00/92/569400092.db2.gz ZJQTVMFJXDCDRA-UHFFFAOYSA-N -1 1 443.575 4.793 50 0 IJAAMM Cc1noc(C)c1[N-]C(=O)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Cl ZINC000002804384 569422522 /nfs/dbraw/zinc/42/25/22/569422522.db2.gz LGBYTHZBDBUFIH-UHFFFAOYSA-N -1 1 441.822 4.987 50 0 IJAAMM COc1ccc(Cl)cc1/N=c1\oc2cc([O-])ccc2cc1C(=O)Nc1nccs1 ZINC000067298230 569468081 /nfs/dbraw/zinc/46/80/81/569468081.db2.gz WBMCNHBUNWQUAZ-NMWGTECJSA-N -1 1 427.869 4.742 50 0 IJAAMM CCOC(=O)c1cccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2cccc(C)n2)c1 ZINC000067297889 569468083 /nfs/dbraw/zinc/46/80/83/569468083.db2.gz ZVADLPMSXQJKQJ-PNHLSOANSA-N -1 1 443.459 4.503 50 0 IJAAMM COC(=O)c1c2cc([N-]S(=O)(=O)c3ccc(OC)cc3)c(C)cc2oc1C(C)(C)C ZINC000008870369 569480659 /nfs/dbraw/zinc/48/06/59/569480659.db2.gz VFUJQMDGNFOUDD-UHFFFAOYSA-N -1 1 431.510 4.635 50 0 IJAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3CCC(C)C)c1 ZINC000009169498 569509211 /nfs/dbraw/zinc/50/92/11/569509211.db2.gz HSZBFTOGYCUKMY-UHFFFAOYSA-N -1 1 444.597 4.902 50 0 IJAAMM Cc1cc(N2CCCC2)ccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000009216599 569512134 /nfs/dbraw/zinc/51/21/34/569512134.db2.gz WSWDMOKNTAREKL-UHFFFAOYSA-N -1 1 435.549 4.648 50 0 IJAAMM COc1cc([N-]S(=O)(=O)c2cc(-c3cc(C)no3)ccc2C(C)C)cc(OC)c1OC ZINC000009228267 569513576 /nfs/dbraw/zinc/51/35/76/569513576.db2.gz XZXWSLOZKDFSNJ-UHFFFAOYSA-N -1 1 446.525 4.600 50 0 IJAAMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2cc(-c3cc(C)no3)ccc2C(C)C)c1 ZINC000009228265 569513589 /nfs/dbraw/zinc/51/35/89/569513589.db2.gz JJPOHZBRRYJLCZ-UHFFFAOYSA-N -1 1 428.510 4.751 50 0 IJAAMM O=S(=O)([N-]c1cccc(-c2nc3cccnc3s2)c1)c1ccc(Br)cc1 ZINC000009403967 569529531 /nfs/dbraw/zinc/52/95/31/569529531.db2.gz WLGUDUPKJLZVMC-UHFFFAOYSA-N -1 1 446.351 4.922 50 0 IJAAMM O=C(Nc1nc2c(cc(F)cc2F)s1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000009714900 569562929 /nfs/dbraw/zinc/56/29/29/569562929.db2.gz VUFVFQPYPYHGND-UHFFFAOYSA-N -1 1 445.472 4.628 50 0 IJAAMM O=C(c1cccs1)N1CCCc2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc21 ZINC000008608646 132287597 /nfs/dbraw/zinc/28/75/97/132287597.db2.gz SWKGCKVVHMSMLS-UHFFFAOYSA-N -1 1 432.954 4.795 50 0 IJAAMM CN(Cc1ccc(Cl)s1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000023644002 523236879 /nfs/dbraw/zinc/23/68/79/523236879.db2.gz XFEDWQCQXDGPHG-UHFFFAOYSA-N -1 1 438.933 4.614 50 0 IJAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(Cc2ccc(F)cc2)C2CC2)cc1 ZINC000012508273 525272800 /nfs/dbraw/zinc/27/28/00/525272800.db2.gz BOOUNSOMXQCLLO-UHFFFAOYSA-N -1 1 438.524 4.740 50 0 IJAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(NC(=O)c3ccco3)c2)cc1Cl ZINC000035224281 525298248 /nfs/dbraw/zinc/29/82/48/525298248.db2.gz TVGAPKCIPDFHIA-UHFFFAOYSA-N -1 1 425.293 4.948 50 0 IJAAMM O=C([O-])[C@H](c1c[nH]c2ccc(Cl)cc21)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000012325081 526315035 /nfs/dbraw/zinc/31/50/35/526315035.db2.gz IJELLDCFTOGCFF-IBGZPJMESA-N -1 1 437.849 4.788 50 0 IJAAMM O=C(Cc1c(Cl)cccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000012799961 527197922 /nfs/dbraw/zinc/19/79/22/527197922.db2.gz HYECQVWOHREPQN-UHFFFAOYSA-N -1 1 435.332 4.975 50 0 IJAAMM COc1ccccc1-n1c2nnc([S-])n2c2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000002279945 555765357 /nfs/dbraw/zinc/76/53/57/555765357.db2.gz LGSGNWVADZDHJA-UHFFFAOYSA-N -1 1 444.560 4.603 50 0 IJAAMM CCCc1oc2ccc([N-]S(=O)(=O)c3ccc(OCC)cc3)cc2c1C(=O)OCC ZINC000008439218 556175158 /nfs/dbraw/zinc/17/51/58/556175158.db2.gz PFFHMRBKVDGYGN-UHFFFAOYSA-N -1 1 431.510 4.762 50 0 IJAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccco4)c3[C@@H]2c2cccc(F)c2)cc1 ZINC000008595789 556190524 /nfs/dbraw/zinc/19/05/24/556190524.db2.gz XAPSHNNUKFNVGA-QFIPXVFZSA-N -1 1 431.423 4.735 50 0 IJAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccco4)c3[C@@H]2c2ccc(C)cc2)cc1 ZINC000008595775 556190592 /nfs/dbraw/zinc/19/05/92/556190592.db2.gz HTZVUFKCOBCKCL-QHCPKHFHSA-N -1 1 427.460 4.905 50 0 aggregator IJAAMM COc1ccc(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1 ZINC000013936083 556335888 /nfs/dbraw/zinc/33/58/88/556335888.db2.gz OVYPOPOEOBWOLC-UHFFFAOYSA-N -1 1 447.969 4.958 50 0 IJAAMM O=C(Nc1ccc(-c2nc3ccccc3o2)c([O-])c1)c1cc(-n2cnnc2)ccc1Cl ZINC000013124609 556474872 /nfs/dbraw/zinc/47/48/72/556474872.db2.gz UOMZPKYMWVUMCH-UHFFFAOYSA-N -1 1 431.839 4.687 50 0 IJAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC4CCCCCC4)CC3)cc2)c1 ZINC000033115384 556554956 /nfs/dbraw/zinc/55/49/56/556554956.db2.gz XNNFHAMUUJSDOQ-UHFFFAOYSA-N -1 1 440.609 4.975 50 0 IJAAMM O=C(NC1CCCCC1)C1(c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000033274812 556559244 /nfs/dbraw/zinc/55/92/44/556559244.db2.gz ZWAYXFWLENBAHY-UHFFFAOYSA-N -1 1 432.973 4.621 50 0 IJAAMM Cc1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)ccc1Br ZINC000016282207 556596710 /nfs/dbraw/zinc/59/67/10/556596710.db2.gz MVGYOJYGJCBBOY-UHFFFAOYSA-N -1 1 445.338 4.811 50 0 IJAAMM COc1ccc(Cl)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000016447529 556608017 /nfs/dbraw/zinc/60/80/17/556608017.db2.gz YNYTYTWATHHLDM-UHFFFAOYSA-N -1 1 430.913 4.710 50 0 IJAAMM COc1ccc([N-]S(=O)(=O)c2cc(-c3nc(-c4ccc(F)cc4)no3)sc2C)cc1 ZINC000046141364 556692761 /nfs/dbraw/zinc/69/27/61/556692761.db2.gz KZULANITRQPCSV-UHFFFAOYSA-N -1 1 445.497 4.722 50 0 IJAAMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1ccccc1SC1CCCC1 ZINC000058438602 556788413 /nfs/dbraw/zinc/78/84/13/556788413.db2.gz RYHFBPZGWMEBSL-UHFFFAOYSA-N -1 1 434.565 4.746 50 0 IJAAMM CC(C)(C)c1ccc(C(=O)[N-]C(=O)COC(=O)c2ccccc2Oc2ccccc2)cc1 ZINC000003458214 556816100 /nfs/dbraw/zinc/81/61/00/556816100.db2.gz BAAJBWJOIQSJGP-UHFFFAOYSA-N -1 1 431.488 4.890 50 0 IJAAMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)N(C(=O)C1CC1)C[C@H](C)S2 ZINC000032944006 557022763 /nfs/dbraw/zinc/02/27/63/557022763.db2.gz NUEWYMUBXKVOJQ-ZDUSSCGKSA-N -1 1 436.986 4.686 50 0 IJAAMM C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc3[n-]cc4c(=O)n(-c5ccc(Cl)cc5)nc-4c3c2)C1 ZINC000101827694 557299539 /nfs/dbraw/zinc/29/95/39/557299539.db2.gz NPXXUBMOPBVKSH-HUUCEWRRSA-N -1 1 434.927 4.590 50 0 IJAAMM C[C@@H](NC(=O)c1ccc2[n-]cc3c(=O)n(-c4ccc(F)cc4)nc-3c2c1)c1ccc(F)cc1 ZINC000101828534 557300093 /nfs/dbraw/zinc/30/00/93/557300093.db2.gz PEDISNONBLWLPU-CQSZACIVSA-N -1 1 444.441 4.588 50 0 IJAAMM O=C(Nc1ccccc1)c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1Br ZINC000000837374 557338241 /nfs/dbraw/zinc/33/82/41/557338241.db2.gz ISUAEGRHZZTAIX-UHFFFAOYSA-N -1 1 431.311 4.502 50 0 IJAAMM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(NC(=O)c3ccccc3F)c2)cc1 ZINC000009097254 562967043 /nfs/dbraw/zinc/96/70/43/562967043.db2.gz BTLAEAKBRCRHOZ-UHFFFAOYSA-N -1 1 434.876 4.541 50 0 IJAAMM CCc1c(C)nc(-n2nc(C)cc2NC(=O)CC(c2ccccc2)c2ccccc2)[n-]c1=O ZINC000015881344 563018243 /nfs/dbraw/zinc/01/82/43/563018243.db2.gz DWWDBGRQHVADQG-UHFFFAOYSA-N -1 1 441.535 4.708 50 0 IJAAMM O=S(=O)([N-]c1cccc(-c2cn3ccccc3n2)c1)c1ccc(Br)cc1 ZINC000000936142 568638797 /nfs/dbraw/zinc/63/87/97/568638797.db2.gz WFWHXWDOGDRTJU-UHFFFAOYSA-N -1 1 428.311 4.565 50 0 IJAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCN(c4cccc(C)c4)[C@H](C)C2)nc3=O)cc1 ZINC000044167993 568749385 /nfs/dbraw/zinc/74/93/85/568749385.db2.gz ZEPVAZHGPGNHOJ-GOSISDBHSA-N -1 1 430.577 4.984 50 0 IJAAMM Cc1nc2cc(NC(=O)c3cc(S(=O)(=O)[N-]c4ccc(F)cc4)ccc3C)ccc2o1 ZINC000015542109 568797363 /nfs/dbraw/zinc/79/73/63/568797363.db2.gz RCAZEFBBOBXUES-UHFFFAOYSA-N -1 1 439.468 4.637 50 0 IJAAMM Cc1noc(-c2ccccc2)c1C(=O)[N-]c1nnc(SCC(=O)c2ccccc2)s1 ZINC000035671481 568897321 /nfs/dbraw/zinc/89/73/21/568897321.db2.gz QRZRCFUIQTVYHD-UHFFFAOYSA-N -1 1 436.518 4.729 50 0 IJAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(SCC(C)C)sc3c2)cc1OC ZINC000064747856 568950445 /nfs/dbraw/zinc/95/04/45/568950445.db2.gz OMBVSXQPGDYEIJ-UHFFFAOYSA-N -1 1 438.596 4.862 50 0 IJAAMM CCOc1ccc2nc(NC(=O)Cn3c(=S)[n-]nc3-c3cccc(C)c3)sc2c1 ZINC000014244211 569158252 /nfs/dbraw/zinc/15/82/52/569158252.db2.gz HQJSRGFKKIITPB-UHFFFAOYSA-N -1 1 425.539 4.563 50 0 IJAAMM Cc1cc(C)cc(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCC(C)CC4)nn3)cc2)c1 ZINC000017010950 569170353 /nfs/dbraw/zinc/17/03/53/569170353.db2.gz VSNPTVDJELCVEO-UHFFFAOYSA-N -1 1 436.581 4.798 50 0 IJAAMM COc1cccc(Oc2cnc(N)nc2-c2ccc(OCc3ccccc3F)cc2[O-])c1 ZINC000002343815 569275316 /nfs/dbraw/zinc/27/53/16/569275316.db2.gz JIQFUESKBQULAO-UHFFFAOYSA-N -1 1 433.439 4.950 50 0 IJAAMM COc1ccc(-c2cnc(N)nc2-c2ccc(OCc3ccccc3)cc2[O-])cc1OC ZINC000002343889 569275365 /nfs/dbraw/zinc/27/53/65/569275365.db2.gz XICDHUKYRLTMOC-UHFFFAOYSA-N -1 1 429.476 4.695 50 0 IJAAMM COc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2)cc1 ZINC000096576606 569401425 /nfs/dbraw/zinc/40/14/25/569401425.db2.gz LDGNQEUGZQBGGJ-UHFFFAOYSA-N -1 1 432.501 4.902 50 0 IJAAMM COc1ccc(C)cc1[C@@H](C)NC(=O)c1oc2ccccc2c1CSc1nccc(=O)[n-]1 ZINC000058005081 569444571 /nfs/dbraw/zinc/44/45/71/569444571.db2.gz XFFVKLQKZUPCIU-OAHLLOKOSA-N -1 1 449.532 4.616 50 0 IJAAMM COc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2nccs2)cc1Cl ZINC000067298225 569468120 /nfs/dbraw/zinc/46/81/20/569468120.db2.gz YXLYPNRWWWXWOP-NMWGTECJSA-N -1 1 427.869 4.742 50 0 IJAAMM Cc1onc(-c2ccccc2)c1C(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000008825567 569477418 /nfs/dbraw/zinc/47/74/18/569477418.db2.gz ZOTSPYXKFYZMGY-UHFFFAOYSA-N -1 1 443.484 4.972 50 0 IJAAMM Cc1ccc2c(c1)NC(=O)c1cc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)ccc1O2 ZINC000008961281 569490959 /nfs/dbraw/zinc/49/09/59/569490959.db2.gz XUTFUPYCRCFQLQ-UHFFFAOYSA-N -1 1 432.860 4.946 50 0 IJAAMM CCCc1cc(=O)[n-]c(SCc2nc(=O)c3c(-c4ccccc4Cl)csc3[nH]2)n1 ZINC000008966307 569491719 /nfs/dbraw/zinc/49/17/19/569491719.db2.gz LUHOGRRJLGMAGC-UHFFFAOYSA-N -1 1 444.969 4.633 50 0 IJAAMM CC(C)CN1c2cc([N-]S(=O)(=O)c3cccc(Cl)c3)ccc2OCC(C)(C)C1=O ZINC000009172453 569509569 /nfs/dbraw/zinc/50/95/69/569509569.db2.gz ANBUESCGIUEXDP-UHFFFAOYSA-N -1 1 436.961 4.548 50 0 IJAAMM CC(C)CN1c2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc2OCC(C)(C)C1=O ZINC000009172534 569509581 /nfs/dbraw/zinc/50/95/81/569509581.db2.gz WTWMEMNZHLNQRD-UHFFFAOYSA-N -1 1 436.961 4.548 50 0 IJAAMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3cc(C)no3)ccc2C(C)C)cc1 ZINC000009228268 569513570 /nfs/dbraw/zinc/51/35/70/569513570.db2.gz WOMKTELLYBMLRP-UHFFFAOYSA-N -1 1 428.510 4.751 50 0 IJAAMM Cn1cnnc1Sc1ccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000009377970 569527602 /nfs/dbraw/zinc/52/76/02/569527602.db2.gz JEBLKKYEENHZBM-UHFFFAOYSA-N -1 1 428.583 4.815 50 0 IJAAMM CCSc1ncc(Cl)c(C(=O)[N-]c2nnc(SCc3ccc(F)cc3)s2)n1 ZINC000009431805 569534311 /nfs/dbraw/zinc/53/43/11/569534311.db2.gz FWRSRPPLCTYMGU-UHFFFAOYSA-N -1 1 441.966 4.777 50 0 IJAAMM CC(C)(C)c1ccc(OCCSc2nc(-c3ccc(F)cc3)nc3cc(=O)[n-]n32)cc1 ZINC000009641122 569555548 /nfs/dbraw/zinc/55/55/48/569555548.db2.gz CMYQIXJFOUJSTK-UHFFFAOYSA-N -1 1 438.528 4.692 50 0 IJAAMM Cc1ccc(OCCCSc2nc(-c3ccc(Cl)cc3)nc3cc(=O)[n-]n32)cc1C ZINC000009640890 569555571 /nfs/dbraw/zinc/55/55/71/569555571.db2.gz CXGJEEQBQAKBJE-UHFFFAOYSA-N -1 1 440.956 4.916 50 0 IJAAMM CCC(=O)N1N=C(c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C[C@@H]1c1cccs1 ZINC000009668210 569557928 /nfs/dbraw/zinc/55/79/28/569557928.db2.gz DLURJXLFKVHXJO-HXUWFJFHSA-N -1 1 439.562 4.637 50 0 IJAAMM COc1ccc(-c2cc([N-]S(=O)(=O)c3cccc(C(C)=O)c3)ccc2OC(F)F)cc1 ZINC000010515763 569582642 /nfs/dbraw/zinc/58/26/42/569582642.db2.gz STQQQXMKCVICNE-UHFFFAOYSA-N -1 1 447.459 4.967 50 0 IJAAMM CCn1c2ccccc2nc1CCc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000033116527 523285441 /nfs/dbraw/zinc/28/54/41/523285441.db2.gz RRGNTXPDTBAPCK-UHFFFAOYSA-N -1 1 441.503 4.920 50 0 IJAAMM COc1ccc(C(=O)Nc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2C)cc1 ZINC000012500235 523745320 /nfs/dbraw/zinc/74/53/20/523745320.db2.gz LPSAHBWHPUBMCE-UHFFFAOYSA-N -1 1 430.913 4.710 50 0 IJAAMM COc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)c3cccc(-n4cccc4)c3)c2)cc1 ZINC000012541977 524697167 /nfs/dbraw/zinc/69/71/67/524697167.db2.gz CEMHBVWCLXWOJA-UHFFFAOYSA-N -1 1 447.516 4.539 50 0 IJAAMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3cccc(Cl)c3)ccc2C)cc1 ZINC000012637051 525297253 /nfs/dbraw/zinc/29/72/53/525297253.db2.gz UHLSHNZNWCCVSG-UHFFFAOYSA-N -1 1 428.941 4.688 50 0 IJAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc([C@@H]3SCC(=O)N3c3ccccc3F)c2)cc1 ZINC000035910252 525615075 /nfs/dbraw/zinc/61/50/75/525615075.db2.gz MOZALBPPNGQJAI-QFIPXVFZSA-N -1 1 442.537 4.714 50 0 IJAAMM O=S(=O)(/C=C/c1ccccc1)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000012631342 527157612 /nfs/dbraw/zinc/15/76/12/527157612.db2.gz CTQDTEMZIQKNQN-BUHFOSPRSA-N -1 1 448.953 4.553 50 0 IJAAMM O=S(=O)([N-]c1ccc(Cl)c(-c2nnc3n2CCCCC3)c1)c1cccc(Cl)c1 ZINC000012763728 527248068 /nfs/dbraw/zinc/24/80/68/527248068.db2.gz RFDHTIQMWZMANR-UHFFFAOYSA-N -1 1 437.352 4.779 50 0 IJAAMM Cc1ccccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000001196998 555677354 /nfs/dbraw/zinc/67/73/54/555677354.db2.gz QWDADKWEZWTUBY-UHFFFAOYSA-N -1 1 445.338 4.811 50 0 IJAAMM CCCCOC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1 ZINC000002897891 555860328 /nfs/dbraw/zinc/86/03/28/555860328.db2.gz ONRGMOVFZFJIBG-UHFFFAOYSA-N -1 1 427.320 4.599 50 0 IJAAMM CCCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(C(C)C)cc1)C(C(=O)OCC)=C(C)N2 ZINC000009569602 556299783 /nfs/dbraw/zinc/29/97/83/556299783.db2.gz DTEWWOHODGGSKI-GOSISDBHSA-N -1 1 427.570 4.790 50 0 IJAAMM O=S(=O)([N-]c1cccc(Oc2cnccn2)c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000032594809 556407975 /nfs/dbraw/zinc/40/79/75/556407975.db2.gz BLCHTBWAWQQTRO-UHFFFAOYSA-N -1 1 429.807 4.742 50 0 IJAAMM CCCCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(F)cc1)C(C(=O)OC(C)C)=C(C)N2 ZINC000013114391 556466758 /nfs/dbraw/zinc/46/67/58/556466758.db2.gz YTYDCMGXYHOHSM-QGZVFWFLSA-N -1 1 431.533 4.584 50 0 IJAAMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c2)cc1 ZINC000013129177 556478889 /nfs/dbraw/zinc/47/88/89/556478889.db2.gz JOAADFCIUILUMQ-UHFFFAOYSA-N -1 1 448.903 4.931 50 0 IJAAMM CC(C)c1cc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c2cnn(C(C)C)c2n1 ZINC000032898931 556517652 /nfs/dbraw/zinc/51/76/52/556517652.db2.gz AEDYQFROXIEUPL-UHFFFAOYSA-N -1 1 434.540 4.576 50 0 IJAAMM O=C(COc1ccc(Br)cc1)Nc1ccc([O-])c(-c2nc3ccccc3o2)c1 ZINC000001208485 556574363 /nfs/dbraw/zinc/57/43/63/556574363.db2.gz FMEAKKZXEXZDEA-UHFFFAOYSA-N -1 1 439.265 4.980 50 0 IJAAMM O=C(Nc1nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2s1)c1ccccc1 ZINC000033007672 556656463 /nfs/dbraw/zinc/65/64/63/556656463.db2.gz ZCSWSSHTTZRRBX-UHFFFAOYSA-N -1 1 445.472 4.628 50 0 IJAAMM C[C@H]1CCc2c(sc3[n-]c(=S)n(NC(=O)c4csc5c4CCCC5)c(=O)c32)C1 ZINC000017097678 556662032 /nfs/dbraw/zinc/66/20/32/556662032.db2.gz MXCGRUDGJGSMDU-JTQLQIEISA-N -1 1 431.608 4.570 50 0 IJAAMM COc1ccc(NC(=O)CSc2nc(CSc3ccc(C)cc3)cc(=O)[n-]2)cc1 ZINC000018116170 556684054 /nfs/dbraw/zinc/68/40/54/556684054.db2.gz OMWUVJYHYNPOCN-UHFFFAOYSA-N -1 1 427.551 4.522 50 0 IJAAMM Cc1ccc(C(=O)Nc2nc3cc([N-]S(=O)(=O)c4cccc(C)c4)ccc3s2)cc1 ZINC000033116505 556862152 /nfs/dbraw/zinc/86/21/52/556862152.db2.gz PWBTVGAWZKQMJX-UHFFFAOYSA-N -1 1 437.546 4.966 50 0 IJAAMM CC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1 ZINC000033171024 556881699 /nfs/dbraw/zinc/88/16/99/556881699.db2.gz RKKZUBAHYJLFSY-YFHOEESVSA-N -1 1 425.510 4.529 50 0 IJAAMM O=c1[n-]c(SCc2ccc(F)cc2Cl)nc2c1CN(Cc1ccc(F)cc1)CC2 ZINC000033287254 557064261 /nfs/dbraw/zinc/06/42/61/557064261.db2.gz DQKGXUIHCJWLOW-UHFFFAOYSA-N -1 1 433.911 4.964 50 0 IJAAMM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000023506721 557095152 /nfs/dbraw/zinc/09/51/52/557095152.db2.gz FAGYXJIUTAHXGX-OAHLLOKOSA-N -1 1 430.476 4.599 50 0 IJAAMM Cc1ccc(CSc2nc(CC(=O)NCc3ccccc3C(F)(F)F)cc(=O)[n-]2)cc1 ZINC000033313185 557098192 /nfs/dbraw/zinc/09/81/92/557098192.db2.gz QDHPFZUDTIGXPG-UHFFFAOYSA-N -1 1 447.482 4.661 50 0 IJAAMM O=S(=O)([N-]c1ccc(-c2csc(Nc3cccnc3)n2)cc1)c1ccc(F)cc1 ZINC000206892247 557165627 /nfs/dbraw/zinc/16/56/27/557165627.db2.gz GSUGXKFOCNPKKR-UHFFFAOYSA-N -1 1 426.498 4.889 50 0 IJAAMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(Br)cc2C)cc1 ZINC000072236013 557200801 /nfs/dbraw/zinc/20/08/01/557200801.db2.gz BIPIRBCQQSVIMP-UHFFFAOYSA-N -1 1 447.358 4.716 50 0 IJAAMM Cc1ccc(C)c([C@H](c2ccccc2)N2CCN(C(=O)c3ccccc3C(=O)[O-])CC2)c1 ZINC000072265274 557250343 /nfs/dbraw/zinc/25/03/43/557250343.db2.gz USVVOJOLVWMFOF-VWLOTQADSA-N -1 1 428.532 4.549 50 0 IJAAMM CCCCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(C(C)C)cc1)C(C(=O)OC)=C(C)N2 ZINC000100951115 557279662 /nfs/dbraw/zinc/27/96/62/557279662.db2.gz JTORNGPWERPYQQ-GOSISDBHSA-N -1 1 427.570 4.790 50 0 IJAAMM Cc1ccc(-n2nc3c4cc(C(=O)NCc5cccc(Cl)c5)ccc4[n-]cc-3c2=O)cc1 ZINC000101281899 557456131 /nfs/dbraw/zinc/45/61/31/557456131.db2.gz OKGVXUXGYCPFSV-UHFFFAOYSA-N -1 1 442.906 4.710 50 0 IJAAMM COc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3C)C([O-])=C2ON1c1ccccc1 ZINC000226990619 557811660 /nfs/dbraw/zinc/81/16/60/557811660.db2.gz LBRWZPVCECDHRK-YTFSRNRJSA-N -1 1 448.906 4.708 50 0 IJAAMM O=C(Nc1ccc(Cl)cc1Cl)c1c([O-])c2c(n(Cc3ccco3)c1=O)CCCC2 ZINC000000911777 568636522 /nfs/dbraw/zinc/63/65/22/568636522.db2.gz GFEGBLICXZLDNB-UHFFFAOYSA-N -1 1 433.291 4.633 50 0 IJAAMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)NC1CCCCC1 ZINC000000948678 568643868 /nfs/dbraw/zinc/64/38/68/568643868.db2.gz SYPWQKQYQIXIRS-UHFFFAOYSA-N -1 1 441.475 4.960 50 0 IJAAMM COc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)cc1 ZINC000015705125 568807553 /nfs/dbraw/zinc/80/75/53/568807553.db2.gz YTUXCOOFPZRHDE-UHFFFAOYSA-N -1 1 430.913 4.710 50 0 IJAAMM COc1cc([C@H]2SC(C)=Nc3c2c(=O)[n-]n3C2CCCCCC2)cc(OC)c1OC ZINC000085411908 568818127 /nfs/dbraw/zinc/81/81/27/568818127.db2.gz NGNIIZWBRXIISN-HXUWFJFHSA-N -1 1 431.558 4.984 50 0 IJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc3sc(NC(=O)C4CCCCC4)nc3c2)cc1 ZINC000015870218 568851693 /nfs/dbraw/zinc/85/16/93/568851693.db2.gz UCXAAJLJLPPIOI-UHFFFAOYSA-N -1 1 429.567 4.924 50 0 IJAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc3sc(NC(=O)c4ccccc4)nc3c2)c1 ZINC000015870173 568851772 /nfs/dbraw/zinc/85/17/72/568851772.db2.gz XDZKCEJIIJGRMN-UHFFFAOYSA-N -1 1 437.546 4.966 50 0 IJAAMM Cc1csc(-c2cc(S(=O)(=O)[N-]c3ccc(Br)c(C)c3)c(C)n2C)n1 ZINC000064668257 568943172 /nfs/dbraw/zinc/94/31/72/568943172.db2.gz DGRHCVBJWHUURX-UHFFFAOYSA-N -1 1 440.388 4.637 50 0 IJAAMM CCc1csc(-c2ccc(S(=O)(=O)[N-]Cc3ccccc3C(F)(F)F)s2)n1 ZINC000064769359 568953153 /nfs/dbraw/zinc/95/31/53/568953153.db2.gz TZMKOKGZTLRTAC-UHFFFAOYSA-N -1 1 432.514 4.931 50 0 IJAAMM Cc1nc2[n-]c(N(Cc3ccc(C(C)C)cc3)C(=O)c3ccc(Cl)cc3)nn2c(=O)c1C ZINC000064813917 568963871 /nfs/dbraw/zinc/96/38/71/568963871.db2.gz DJQRHZCXZOYDKI-UHFFFAOYSA-N -1 1 449.942 4.658 50 0 IJAAMM Cc1c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2oc1-c1nc(-c2cccnc2)no1 ZINC000064948586 568994419 /nfs/dbraw/zinc/99/44/19/568994419.db2.gz MRKHLIOLPNGECK-UHFFFAOYSA-N -1 1 446.488 4.962 50 0 IJAAMM O=C(COc1ccc(Cl)cc1Cl)Nc1ccc([O-])c(-c2nc3cnccc3o2)c1 ZINC000036358577 569085291 /nfs/dbraw/zinc/08/52/91/569085291.db2.gz OWNSKVOZOLQMHT-UHFFFAOYSA-N -1 1 430.247 4.920 50 0 IJAAMM CC[C@@H](C)NC(=O)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000065059732 569096167 /nfs/dbraw/zinc/09/61/67/569096167.db2.gz OJSAUGUBXADZLL-QGZVFWFLSA-N -1 1 439.537 4.511 50 0 IJAAMM O=S(=O)([N-]c1cccc(-c2ccc(N3CCCCCC3)nn2)c1)c1cccc(Cl)c1 ZINC000017155280 569175013 /nfs/dbraw/zinc/17/50/13/569175013.db2.gz DOWVTSRLNCTNOK-UHFFFAOYSA-N -1 1 442.972 4.978 50 0 IJAAMM Cc1c(CNCc2ccccc2Br)c(C(=O)[O-])c(C)n1Cc1ccccc1 ZINC000020413580 569364184 /nfs/dbraw/zinc/36/41/84/569364184.db2.gz SXAMAQGMSPWLRV-UHFFFAOYSA-N -1 1 427.342 4.904 50 0 IJAAMM COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccccc5)oc-4c32)cc1OC ZINC000096116129 569383657 /nfs/dbraw/zinc/38/36/57/569383657.db2.gz AUJSPHVWNGIRFQ-MRXNPFEDSA-N -1 1 444.439 4.624 50 0 biogenic IJAAMM COC1CCN(c2ccc([N-]S(=O)(=O)c3cc(C)c(Cl)cc3Cl)cc2)CC1 ZINC000096382335 569398145 /nfs/dbraw/zinc/39/81/45/569398145.db2.gz FQZHVMIOTDVIEZ-UHFFFAOYSA-N -1 1 429.369 4.718 50 0 IJAAMM CCSc1nc2ccc([N-]S(=O)(=O)c3cccc(Br)c3)cc2s1 ZINC000096399586 569400151 /nfs/dbraw/zinc/40/01/51/569400151.db2.gz MJXGYEBIPWSIEB-UHFFFAOYSA-N -1 1 429.386 4.972 50 0 IJAAMM Cn1c2cc([N-]C(=O)c3c(F)cccc3F)c(SC3CCCCC3)cc2n(C)c1=O ZINC000028049210 569406686 /nfs/dbraw/zinc/40/66/86/569406686.db2.gz UHJKYHDNFKGMGE-UHFFFAOYSA-N -1 1 431.508 4.832 50 0 IJAAMM O=S(=O)([N-]c1ccc(Br)c(Br)c1)c1ccc(Cl)cc1 ZINC000003991763 569457485 /nfs/dbraw/zinc/45/74/85/569457485.db2.gz OIZGKVGNTIEUPY-UHFFFAOYSA-N -1 1 425.529 4.666 50 0 IJAAMM O=C(Nc1ccccn1)c1cc2ccc([O-])cc2o/c1=N\c1ccc(OC(F)(F)F)cc1 ZINC000067293349 569467778 /nfs/dbraw/zinc/46/77/78/569467778.db2.gz QXKQKJABDXLZNQ-MEFGMAGPSA-N -1 1 441.365 4.917 50 0 IJAAMM O=C([O-])c1ccc(NC(=O)N2CCc3nc[nH]c3[C@H]2c2cccc(Cl)c2Cl)cc1 ZINC000040266727 569497275 /nfs/dbraw/zinc/49/72/75/569497275.db2.gz GIWGMSXHQQAUMF-GOSISDBHSA-N -1 1 431.279 4.594 50 0 IJAAMM C[C@H](NC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)ccc1Cl)C1CC1 ZINC000009377278 569527448 /nfs/dbraw/zinc/52/74/48/569527448.db2.gz LMPHYCAEINSMFY-NSHDSACASA-N -1 1 446.878 4.688 50 0 IJAAMM O=C1C[C@H](c2ccc(OCc3ccccc3F)cc2)c2c(=O)[n-]c(-c3ccccc3)nc2N1 ZINC000009410019 569531191 /nfs/dbraw/zinc/53/11/91/569531191.db2.gz QCBRPYZTAPSBDJ-HXUWFJFHSA-N -1 1 441.462 4.629 50 0 IJAAMM COc1cccc(NC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2)c1 ZINC000009467578 569538428 /nfs/dbraw/zinc/53/84/28/569538428.db2.gz MHDPSVZAVWNYFZ-UHFFFAOYSA-N -1 1 446.528 4.830 50 0 IJAAMM O=C(Nc1ccc2c(c1)OCO2)c1oc2ccccc2c1[N-]C(=O)c1c(F)cccc1F ZINC000009518470 569544081 /nfs/dbraw/zinc/54/40/81/569544081.db2.gz 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432.501 4.827 50 0 IJAAMM CCCCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(Cl)cc1)C(C(=O)OCC)=C(C)N2 ZINC000012600260 520976198 /nfs/dbraw/zinc/97/61/98/520976198.db2.gz FGXDBYYURCRTOU-MRXNPFEDSA-N -1 1 433.961 4.710 50 0 IJAAMM CCC(=O)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@H]1c1ccc(C)cc1 ZINC000035684028 521167248 /nfs/dbraw/zinc/16/72/48/521167248.db2.gz IWINWYPCXPPEDK-DEOSSOPVSA-N -1 1 447.560 4.884 50 0 IJAAMM Cc1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1S(=O)(=O)[N-]c1ccc(SC(F)F)cc1 ZINC000012535943 525207910 /nfs/dbraw/zinc/20/79/10/525207910.db2.gz SCQJKUZYHGPTIK-BLLLJJGKSA-N -1 1 426.510 4.705 50 0 IJAAMM Cc1ccccc1N1C(=O)CS[C@H]1c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000035908791 525222461 /nfs/dbraw/zinc/22/24/61/525222461.db2.gz JALXBFWVPPOQFU-QFIPXVFZSA-N -1 1 442.537 4.714 50 0 IJAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NCc2ccccc2Cl)c1 ZINC000012736314 525272115 /nfs/dbraw/zinc/27/21/15/525272115.db2.gz JSEQIWVNSDHTLL-UHFFFAOYSA-N -1 1 428.941 4.688 50 0 IJAAMM 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ZINC000021702644 527246565 /nfs/dbraw/zinc/24/65/65/527246565.db2.gz PGXKJJWZMHZYSK-UHFFFAOYSA-N -1 1 441.896 4.770 50 0 IJAAMM O=S(=O)([N-]c1cccc(-c2ccc(N3CCCCC3)nn2)c1)c1ccc2c(c1)CCCC2 ZINC000020554783 527251810 /nfs/dbraw/zinc/25/18/10/527251810.db2.gz TWDWXBNSAVPWRO-UHFFFAOYSA-N -1 1 448.592 4.814 50 0 IJAAMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)c1 ZINC000000674181 555533137 /nfs/dbraw/zinc/53/31/37/555533137.db2.gz DLADNPSWJHNPLX-UHFFFAOYSA-N -1 1 444.940 4.775 50 0 IJAAMM CCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(OCC)cc1)cc2Cl ZINC000000944071 555587711 /nfs/dbraw/zinc/58/77/11/555587711.db2.gz ZMEGPWOXBJLOOJ-UHFFFAOYSA-N -1 1 437.901 4.771 50 0 IJAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccco4)c3[C@@H]2c2ccccc2F)cc1 ZINC000001427938 555696200 /nfs/dbraw/zinc/69/62/00/555696200.db2.gz ZUTDYBMLPFJXFQ-QFIPXVFZSA-N -1 1 431.423 4.735 50 0 IJAAMM CCOc1ccc2nc(Nc3nc(CSc4ccc(C)cc4)cc(=O)[n-]3)nc(C)c2c1 ZINC000003855439 555949345 /nfs/dbraw/zinc/94/93/45/555949345.db2.gz PDYAPWXBBBFVTJ-UHFFFAOYSA-N -1 1 433.537 4.765 50 0 IJAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4cccs4)c3[C@H]2c2cccc(O)c2)cc1 ZINC000008595450 556190187 /nfs/dbraw/zinc/19/01/87/556190187.db2.gz BDQKQMBEJPKGEG-JOCHJYFZSA-N -1 1 445.500 4.770 50 0 IJAAMM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4cccs4)c3[C@H]2c2cccc(O)c2)cc1 ZINC000008595450 556190191 /nfs/dbraw/zinc/19/01/91/556190191.db2.gz BDQKQMBEJPKGEG-JOCHJYFZSA-N -1 1 445.500 4.770 50 0 IJAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccco4)c3[C@H]2c2cccc(OC)c2)cc1 ZINC000008595778 556190578 /nfs/dbraw/zinc/19/05/78/556190578.db2.gz NMGXZYUYMYVGRC-HSZRJFAPSA-N -1 1 443.459 4.605 50 0 IJAAMM CCOC(=O)C1=C(C)Nc2nc(SCC(C)C)[n-]c(=O)c2[C@@H]1c1ccc(Cl)cc1 ZINC000013112495 556464823 /nfs/dbraw/zinc/46/48/23/556464823.db2.gz UGBBBPKWAUUROJ-MRXNPFEDSA-N -1 1 433.961 4.566 50 0 IJAAMM Cc1cccc(COc2ccc([C@H]3CC(=O)Nc4nc(-c5ccccc5)[n-]c(=O)c43)cc2)c1 ZINC000013593554 556531274 /nfs/dbraw/zinc/53/12/74/556531274.db2.gz VFWFFQGMAOFAGU-JOCHJYFZSA-N -1 1 437.499 4.798 50 0 IJAAMM CCOC(=O)CSc1nc2c(c(=O)[n-]1)[C@@](CC)(C1CCCCC1)Cc1ccccc1-2 ZINC000005093104 556633720 /nfs/dbraw/zinc/63/37/20/556633720.db2.gz GWJQEGOXVQKVGA-XMMPIXPASA-N -1 1 426.582 4.876 50 0 IJAAMM CCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4C)C([O-])=C3ON2c2ccccc2)cc1 ZINC000137948974 556699438 /nfs/dbraw/zinc/69/94/38/556699438.db2.gz OPQARVUTIOVVNJ-ISJGIBHGSA-N -1 1 442.515 4.753 50 0 IJAAMM O=c1nc(N2CCN(c3ccccc3F)CC2)[n-]c2c(-c3cccc(Cl)c3)csc21 ZINC000048988975 556702757 /nfs/dbraw/zinc/70/27/57/556702757.db2.gz OPFOGVNYLABMQO-UHFFFAOYSA-N -1 1 440.931 4.771 50 0 IJAAMM O=C(NCc1ccc(Cl)cc1)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000003515862 556817141 /nfs/dbraw/zinc/81/71/41/556817141.db2.gz LPJAKJOVCOQOCZ-UHFFFAOYSA-N -1 1 435.332 4.724 50 0 IJAAMM CNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2)CCC1 ZINC000033128563 556865669 /nfs/dbraw/zinc/86/56/69/556865669.db2.gz HGNIUVSZWYSPDR-UHFFFAOYSA-N -1 1 426.582 4.703 50 0 IJAAMM CC[C@@H](C)NC(=O)c1ccc(Sc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)nc1 ZINC000033138356 556869882 /nfs/dbraw/zinc/86/98/82/556869882.db2.gz WKALIQSIQMEXPX-MRXNPFEDSA-N -1 1 441.578 4.562 50 0 IJAAMM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)cc1 ZINC000033130276 556870233 /nfs/dbraw/zinc/87/02/33/556870233.db2.gz SADOENIBWWVVLE-MRXNPFEDSA-N -1 1 426.513 4.822 50 0 IJAAMM CCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)cc1 ZINC000033130271 556870259 /nfs/dbraw/zinc/87/02/59/556870259.db2.gz KEEWGUOUZVFCEX-UHFFFAOYSA-N -1 1 426.513 4.823 50 0 IJAAMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1cc(-c2ccco2)on1 ZINC000024433903 557146671 /nfs/dbraw/zinc/14/66/71/557146671.db2.gz DVUSSUWPHYAWPG-UHFFFAOYSA-N -1 1 443.868 4.641 50 0 IJAAMM COc1ccc([C@@H]2CC(c3c(=O)[nH]c(=S)n(C)c3[O-])=Nc3ccccc3S2)cc1 ZINC000101495519 557288920 /nfs/dbraw/zinc/28/89/20/557288920.db2.gz VDYBFOUEGLILCX-KRWDZBQOSA-N -1 1 425.535 4.515 50 0 IJAAMM O=C(NCc1ccc(Cl)cc1)c1ccc2[n-]cc3c(=O)n(-c4ccc(F)cc4)nc-3c2c1 ZINC000101828637 557300197 /nfs/dbraw/zinc/30/01/97/557300197.db2.gz VBUQPNDIGLIHHW-UHFFFAOYSA-N -1 1 446.869 4.541 50 0 IJAAMM Cc1nc(-c2csc(S(=O)(=O)[N-]Cc3ccccc3C(F)(F)F)c2)sc1C ZINC000033297666 557330740 /nfs/dbraw/zinc/33/07/40/557330740.db2.gz NSDNRDRYXSZXKI-UHFFFAOYSA-N -1 1 432.514 4.986 50 0 IJAAMM COc1cccc(NC(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2Cl)c1 ZINC000023709765 557372063 /nfs/dbraw/zinc/37/20/63/557372063.db2.gz FCEDULRYRMHHFB-UHFFFAOYSA-N -1 1 430.913 4.710 50 0 IJAAMM COc1cccc(-c2nc([O-])c(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)s2)c1 ZINC000003431529 568749102 /nfs/dbraw/zinc/74/91/02/568749102.db2.gz AKLGVRJCXKTGQS-OAHLLOKOSA-N -1 1 442.846 4.785 50 0 IJAAMM COc1cc(C=C(Sc2nnc(C)[nH]2)C(=O)[O-])ccc1OCc1ccccc1Cl ZINC000001272603 568775825 /nfs/dbraw/zinc/77/58/25/568775825.db2.gz PSTKUBVASLWVKF-VCHYOVAHSA-N -1 1 431.901 4.572 50 0 IJAAMM COc1cc(C=C(Sc2n[nH]c(C)n2)C(=O)[O-])ccc1OCc1ccccc1Cl ZINC000001272603 568775826 /nfs/dbraw/zinc/77/58/26/568775826.db2.gz PSTKUBVASLWVKF-VCHYOVAHSA-N -1 1 431.901 4.572 50 0 IJAAMM Cc1cc(C)c(NC(=O)CSc2nc(C)c(Cc3ccccc3)c(=O)[n-]2)c(Cl)c1 ZINC000011905609 568819427 /nfs/dbraw/zinc/81/94/27/568819427.db2.gz CJBUSGVRGWONRB-UHFFFAOYSA-N -1 1 427.957 4.670 50 0 IJAAMM CC(C)C(=O)Nc1nc2cc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)ccc2s1 ZINC000015870321 568851714 /nfs/dbraw/zinc/85/17/14/568851714.db2.gz JSIKQBCXLCGSRB-UHFFFAOYSA-N -1 1 429.567 4.570 50 0 IJAAMM CCc1ccc([C@@H]2C(S(=O)(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2ccccc2)cc1 ZINC000064558164 568932011 /nfs/dbraw/zinc/93/20/11/568932011.db2.gz WKFIDHBOYWWNBW-JOCHJYFZSA-N -1 1 433.529 4.889 50 0 IJAAMM CCc1csc(-c2ccc(S(=O)(=O)[N-]c3ccccc3Br)s2)n1 ZINC000064769345 568953242 /nfs/dbraw/zinc/95/32/42/568953242.db2.gz ABKLRWWKWROQTC-UHFFFAOYSA-N -1 1 429.386 4.997 50 0 IJAAMM O=c1cc(-c2ccncc2)nc(SCc2nc(-c3ccc(C(F)(F)F)cc3)no2)[n-]1 ZINC000065330945 569137118 /nfs/dbraw/zinc/13/71/18/569137118.db2.gz IHHRCHAGXLUGCE-UHFFFAOYSA-N -1 1 431.399 4.605 50 0 IJAAMM O=S(=O)([N-]c1ccc(C(F)(F)F)nc1Br)c1ccccc1C(F)(F)F ZINC000170597349 569142135 /nfs/dbraw/zinc/14/21/35/569142135.db2.gz FDPCSCKWICGDKU-UHFFFAOYSA-N -1 1 449.170 4.683 50 0 IJAAMM CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(-c2nc3ccccc3s2)c([O-])c1 ZINC000016838882 569162871 /nfs/dbraw/zinc/16/28/71/569162871.db2.gz GWIOIELRBURKFI-UHFFFAOYSA-N -1 1 438.530 4.715 50 0 IJAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3ccc(OC)cc3)CC(=O)O4)c2=O)cc1 ZINC000079192206 569328095 /nfs/dbraw/zinc/32/80/95/569328095.db2.gz FQGFKWJTQCGTME-SFHVURJKSA-N -1 1 444.439 4.624 50 0 biogenic IJAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2ccc(OC)cc2)cc1 ZINC000079192206 569328097 /nfs/dbraw/zinc/32/80/97/569328097.db2.gz FQGFKWJTQCGTME-SFHVURJKSA-N -1 1 444.439 4.624 50 0 biogenic IJAAMM COc1cccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccccc5)oc-4c32)c1OC ZINC000096114706 569383084 /nfs/dbraw/zinc/38/30/84/569383084.db2.gz DXOGXOYFLLCTFO-MRXNPFEDSA-N -1 1 444.439 4.624 50 0 biogenic IJAAMM CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2cc3c(c(Cl)c2)OCO3)S1 ZINC000096117991 569384433 /nfs/dbraw/zinc/38/44/33/569384433.db2.gz DOXTWLHZNJHHNC-YVEFUNNKSA-N -1 1 435.933 4.575 50 0 IJAAMM CCSc1nc2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2s1 ZINC000096399585 569400192 /nfs/dbraw/zinc/40/01/92/569400192.db2.gz LXDRMLWXCRDFJX-UHFFFAOYSA-N -1 1 429.386 4.972 50 0 IJAAMM COCCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc21 ZINC000008974096 569492841 /nfs/dbraw/zinc/49/28/41/569492841.db2.gz YSXANPVRTDJQLT-UHFFFAOYSA-N -1 1 445.537 4.643 50 0 IJAAMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(=O)c2cccs2)CC3)cc1 ZINC000008977304 569493029 /nfs/dbraw/zinc/49/30/29/569493029.db2.gz ZAMJUAFDRFBVDA-UHFFFAOYSA-N -1 1 440.590 4.871 50 0 IJAAMM O=C([O-])c1ccccc1NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(Cl)c1Cl ZINC000040287370 569498202 /nfs/dbraw/zinc/49/82/02/569498202.db2.gz XOFCORYPDQIUQJ-GOSISDBHSA-N -1 1 431.279 4.594 50 0 IJAAMM CC(C)(C)NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1 ZINC000009126592 569504966 /nfs/dbraw/zinc/50/49/66/569504966.db2.gz HNHDXZSBWMCJOG-UHFFFAOYSA-N -1 1 429.514 4.722 50 0 IJAAMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(c1)OCC(C)(C)C(=O)N2CCC(C)C ZINC000009169506 569509269 /nfs/dbraw/zinc/50/92/69/569509269.db2.gz GLESJJCKDWWFAM-UHFFFAOYSA-N -1 1 448.560 4.733 50 0 IJAAMM Cc1ccc(-c2cn3ccccc3n2)cc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000009184815 569510020 /nfs/dbraw/zinc/51/00/20/569510020.db2.gz YJJJNHUXQIZKCQ-UHFFFAOYSA-N -1 1 442.338 4.873 50 0 IJAAMM CCOc1ccc2nc(Sc3ccc(Cl)cc3)c(/C=C3\NC(=S)[N-]C3=O)cc2c1 ZINC000009355045 569525189 /nfs/dbraw/zinc/52/51/89/569525189.db2.gz FYZLWXNLYOYHPV-WQRHYEAKSA-N -1 1 441.965 4.783 50 0 IJAAMM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(NC(=O)c3cccc(C)c3)c2)cc1 ZINC000009540017 569545753 /nfs/dbraw/zinc/54/57/53/569545753.db2.gz STAWERSVQXPVMK-UHFFFAOYSA-N -1 1 430.913 4.710 50 0 IJAAMM CCOC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-]c1ccc(C)cc1Cl ZINC000009646485 569556281 /nfs/dbraw/zinc/55/62/81/569556281.db2.gz LEVWYEWEEMYTNQ-UHFFFAOYSA-N -1 1 427.906 4.980 50 0 IJAAMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cccc4cccnc43)cc2)cc1 ZINC000010426174 569582024 /nfs/dbraw/zinc/58/20/24/569582024.db2.gz CLQLXWVMOSXPCD-UHFFFAOYSA-N -1 1 447.516 4.687 50 0 IJAAMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCCCC4)nn3)cc2)cc1C ZINC000008610203 132288089 /nfs/dbraw/zinc/28/80/89/132288089.db2.gz CJTUTEYRSYCYAJ-UHFFFAOYSA-N -1 1 436.581 4.860 50 0 aggregator IJAAMM CC(C)Oc1ccccc1[C@@H]1CC(=O)Nc2nc(SCc3ccc(F)cc3)[n-]c(=O)c21 ZINC000021784542 519784931 /nfs/dbraw/zinc/78/49/31/519784931.db2.gz OOFSIARTQIHQFB-KRWDZBQOSA-N -1 1 439.512 4.875 50 0 IJAAMM CCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]c2ccccc2F)s1 ZINC000033306507 521196279 /nfs/dbraw/zinc/19/62/79/521196279.db2.gz SHGYBJRBDFBWRP-CSKARUKUSA-N -1 1 435.502 4.503 50 0 IJAAMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc4c(c3)CCN4C(C)=O)ccc21 ZINC000015243486 523277240 /nfs/dbraw/zinc/27/72/40/523277240.db2.gz KMWQUTSNWDDFAM-UHFFFAOYSA-N -1 1 433.533 4.524 50 0 IJAAMM Cc1ccccc1-c1nnc(CSc2nnc([N-]C(=O)c3c(F)cccc3F)s2)o1 ZINC000021359250 525014443 /nfs/dbraw/zinc/01/44/43/525014443.db2.gz CUPKDXAAATWZQZ-UHFFFAOYSA-N -1 1 445.476 4.719 50 0 IJAAMM O=C1C[C@H](c2cc(F)cc(F)c2)c2c(=O)[n-]c(SCc3ccccc3Cl)nc2N1 ZINC000021784862 527031764 /nfs/dbraw/zinc/03/17/64/527031764.db2.gz DPNFLFMSVSGLPR-CQSZACIVSA-N -1 1 433.867 4.880 50 0 IJAAMM O=C1[N-]C(=S)NC1=Cc1cc(Br)ccc1OCc1cccc2ccccc21 ZINC000000665527 555528352 /nfs/dbraw/zinc/52/83/52/555528352.db2.gz RQVMPUZFTKGRQI-WOJGMQOQSA-N -1 1 439.334 4.527 50 0 IJAAMM CCCCCOC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000002464255 555783192 /nfs/dbraw/zinc/78/31/92/555783192.db2.gz UNTCRCIVOGPFDR-UHFFFAOYSA-N -1 1 441.347 4.989 50 0 IJAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4cccs4)c3[C@H]2c2ccc(O)cc2)cc1 ZINC000009679599 556306330 /nfs/dbraw/zinc/30/63/30/556306330.db2.gz CQHBLFAUPOWKIU-JOCHJYFZSA-N -1 1 445.500 4.770 50 0 IJAAMM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4cccs4)c3[C@H]2c2ccc(O)cc2)cc1 ZINC000009679599 556306333 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427.910 4.547 50 0 IJAAMM Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033007808 556656832 /nfs/dbraw/zinc/65/68/32/556656832.db2.gz JEQOAZYQQQTGQQ-UHFFFAOYSA-N -1 1 441.509 4.797 50 0 IJAAMM C[C@@H]1CCc2c(sc3[n-]c(=S)n(NC(=O)c4csc5c4CCCC5)c(=O)c32)C1 ZINC000017097677 556662038 /nfs/dbraw/zinc/66/20/38/556662038.db2.gz MXCGRUDGJGSMDU-SNVBAGLBSA-N -1 1 431.608 4.570 50 0 IJAAMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CC(=O)N[C@H](CC1CCCCC1)c1ccccc1 ZINC000058310376 556779754 /nfs/dbraw/zinc/77/97/54/556779754.db2.gz YTQGTXXQAGMHOX-HSZRJFAPSA-N -1 1 430.552 4.511 50 0 IJAAMM O=S(=O)([N-]c1ccc(-c2noc(Cc3cccs3)n2)cc1)c1ccc(Cl)cc1 ZINC000033122943 556863907 /nfs/dbraw/zinc/86/39/07/556863907.db2.gz YCTRHQSAQIUFLX-UHFFFAOYSA-N -1 1 431.926 4.843 50 0 IJAAMM COc1cccc([C@H]2C(S(=O)(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2ccc(C)cc2)c1 ZINC000023119236 557007209 /nfs/dbraw/zinc/00/72/09/557007209.db2.gz XOPOWZXCFBLBSS-QFIPXVFZSA-N -1 1 449.528 4.643 50 0 IJAAMM CCOC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000023126502 557008280 /nfs/dbraw/zinc/00/82/80/557008280.db2.gz NEUQPBMIRVAXIK-UHFFFAOYSA-N -1 1 437.489 4.979 50 0 IJAAMM CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000033297903 557073833 /nfs/dbraw/zinc/07/38/33/557073833.db2.gz QYNLHJPZCHMAJH-KAMYIIQDSA-N -1 1 425.510 4.611 50 0 IJAAMM O=C(NCc1ccccc1F)c1ccc2[n-]cc3c(=O)n(-c4ccc(Cl)cc4)nc-3c2c1 ZINC000101827780 557299477 /nfs/dbraw/zinc/29/94/77/557299477.db2.gz BTIPJLDCJWAQLP-UHFFFAOYSA-N -1 1 446.869 4.541 50 0 IJAAMM O=C([N-]c1nnc(N2CCCCCC2)s1)c1cc(-c2ccc(Br)cc2)on1 ZINC000006577804 562947884 /nfs/dbraw/zinc/94/78/84/562947884.db2.gz ZJJNUJOOFJRUAR-UHFFFAOYSA-N -1 1 448.346 4.588 50 0 aggregator IJAAMM CCCCOc1ccccc1[C@H]1CC(=O)Nc2nc(SCc3ccccc3)[n-]c(=O)c21 ZINC000086056915 568642131 /nfs/dbraw/zinc/64/21/31/568642131.db2.gz GHJVLAIPHMHWLN-GOSISDBHSA-N -1 1 435.549 4.715 50 0 IJAAMM COc1c2c(cc([C@H]3SC(C)=Nc4c3c(=O)[n-]n4C3CCCCCC3)c1OC)OCO2 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COc1ccc(Cl)cc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000009544755 569546040 /nfs/dbraw/zinc/54/60/40/569546040.db2.gz STKCWMXTYKUZLH-UHFFFAOYSA-N -1 1 430.913 4.710 50 0 IJAAMM CC[C@@H](C)NC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000033274559 522139844 /nfs/dbraw/zinc/13/98/44/522139844.db2.gz QYIJKIBETFJHAJ-QGZVFWFLSA-N -1 1 428.598 4.731 50 0 IJAAMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H](C)c2ccccc2Br)cc1 ZINC000012999623 525788123 /nfs/dbraw/zinc/78/81/23/525788123.db2.gz CXQWZANFTRHFEQ-AWEZNQCLSA-N -1 1 445.386 4.946 50 0 IJAAMM O=C1C[C@H](c2ccc(F)cc2F)c2c(=O)[n-]c(SCc3ccc(Cl)cc3)nc2N1 ZINC000021784926 527031990 /nfs/dbraw/zinc/03/19/90/527031990.db2.gz OOYBEIYODJNRCS-CQSZACIVSA-N -1 1 433.867 4.880 50 0 IJAAMM Cc1ccccc1-n1cnc2cc([N-]S(=O)(=O)c3ccc(Br)cc3)ccc21 ZINC000002341976 555770187 /nfs/dbraw/zinc/77/01/87/555770187.db2.gz SFWQDBBQQZYFLD-UHFFFAOYSA-N -1 1 442.338 4.897 50 0 IJAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccco4)c3[C@H]2c2ccc(C)cc2)cc1 ZINC000008595774 556190664 /nfs/dbraw/zinc/19/06/64/556190664.db2.gz HTZVUFKCOBCKCL-HSZRJFAPSA-N -1 1 427.460 4.905 50 0 aggregator IJAAMM Cc1nc(Nc2nc(CSc3nc4ccccc4s3)cc(=O)[n-]2)nc2ccccc12 ZINC000008837384 556226113 /nfs/dbraw/zinc/22/61/13/556226113.db2.gz BNZJPHJRYRCPBI-UHFFFAOYSA-N -1 1 432.534 4.667 50 0 IJAAMM CCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(C(C)C)cc1)C(C(=O)OCC)=C(C)N2 ZINC000009569600 556299815 /nfs/dbraw/zinc/29/98/15/556299815.db2.gz DTEWWOHODGGSKI-SFHVURJKSA-N -1 1 427.570 4.790 50 0 IJAAMM CCOC(=O)C1=C(NC(=O)Cc2ccc(Cl)c(Cl)c2)[N-]c2ccccc2N=C1C ZINC000013132804 556481029 /nfs/dbraw/zinc/48/10/29/556481029.db2.gz KPOJURCAAOIEHP-UHFFFAOYSA-N -1 1 432.307 4.645 50 0 IJAAMM Cc1nc(SCc2ccccc2)[n-]c(=O)c1CCC(=O)N1CCC[C@@H]1Cc1ccccc1 ZINC000029981727 556487967 /nfs/dbraw/zinc/48/79/67/556487967.db2.gz QRANLDORBRKGJO-JOCHJYFZSA-N -1 1 447.604 4.537 50 0 IJAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC4CCCCC4)CC3)cc2)c1 ZINC000033115550 556555343 /nfs/dbraw/zinc/55/53/43/556555343.db2.gz BIUWTLIBUBYQET-UHFFFAOYSA-N -1 1 426.582 4.585 50 0 IJAAMM Cc1cccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC4CCC(C)CC4)CC3)cc2)c1 ZINC000033115474 556555540 /nfs/dbraw/zinc/55/55/40/556555540.db2.gz YIFDRVCGNCRGSW-UHFFFAOYSA-N -1 1 426.582 4.522 50 0 IJAAMM Cc1cccc(S(=O)(=O)[N-]c2cc3sc(NC(=O)c4ccccc4)nc3c(C)c2)c1 ZINC000033007859 556656728 /nfs/dbraw/zinc/65/67/28/556656728.db2.gz IIBRAFIPBXRGJF-UHFFFAOYSA-N -1 1 437.546 4.966 50 0 IJAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCN(c4ccccc4Cl)CC2)nc3=O)cc1 ZINC000044168012 556666145 /nfs/dbraw/zinc/66/61/45/556666145.db2.gz VQMMOTSSQBESSL-UHFFFAOYSA-N -1 1 436.968 4.940 50 0 IJAAMM Cc1cccc([C@H]2c3c(=O)[n-]c(SCC(C)C)nc3NC(C)=C2C(=O)OC(C)C)c1 ZINC000017122824 556668586 /nfs/dbraw/zinc/66/85/86/556668586.db2.gz SHALIJJTFFYUNQ-GOSISDBHSA-N -1 1 427.570 4.609 50 0 IJAAMM C[C@@H](c1ccco1)N(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)C1CC1 ZINC000058004953 556752680 /nfs/dbraw/zinc/75/26/80/556752680.db2.gz QWKGNCXIVQFVJR-HNNXBMFYSA-N -1 1 428.485 4.585 50 0 IJAAMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2cccnc2)CCC3)cc1 ZINC000019819213 556922139 /nfs/dbraw/zinc/92/21/39/556922139.db2.gz AGEGEDZHQQQFTB-UHFFFAOYSA-N -1 1 435.549 4.599 50 0 IJAAMM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000017886754 557127352 /nfs/dbraw/zinc/12/73/52/557127352.db2.gz KGRDTHKAUXVLSN-GVAUOCQISA-N -1 1 442.515 4.917 50 0 IJAAMM Cc1nc(SCC(=O)Nc2ccc(Cl)cc2)[n-]c(=O)c1Cc1ccc(Cl)cc1 ZINC000018191190 557246377 /nfs/dbraw/zinc/24/63/77/557246377.db2.gz WECRTHNNCLDGCZ-UHFFFAOYSA-N -1 1 434.348 4.707 50 0 IJAAMM COc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC ZINC000013937868 557397146 /nfs/dbraw/zinc/39/71/46/557397146.db2.gz GQKSOBCFNRKMBK-UHFFFAOYSA-N -1 1 429.338 4.542 50 0 IJAAMM Cc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000001508259 562922382 /nfs/dbraw/zinc/92/23/82/562922382.db2.gz HUUJWLBYCJDAPB-UHFFFAOYSA-N -1 1 445.338 4.811 50 0 IJAAMM O=S(=O)([N-]c1ccc(-c2ccc(N3CCCC3)nn2)cc1)c1cccc(C(F)(F)F)c1 ZINC000008610190 562958095 /nfs/dbraw/zinc/95/80/95/562958095.db2.gz SDKNNMYXQAURSF-UHFFFAOYSA-N -1 1 448.470 4.563 50 0 IJAAMM COc1ccc(CNCc2c(C)n(Cc3ccc(Cl)cc3)c(C)c2C(=O)[O-])c(OC)c1 ZINC000008610586 562958255 /nfs/dbraw/zinc/95/82/55/562958255.db2.gz WVOQHNSKIFMBFL-UHFFFAOYSA-N -1 1 442.943 4.812 50 0 IJAAMM C[C@@H]1CCCCN1c1nnc([N-]C(=O)c2cc(-c3ccc(Br)cc3)on2)s1 ZINC000008670380 562960632 /nfs/dbraw/zinc/96/06/32/562960632.db2.gz YWDBPOCLUIMCRE-LLVKDONJSA-N -1 1 448.346 4.587 50 0 aggregator IJAAMM CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1 ZINC000033297963 568626242 /nfs/dbraw/zinc/62/62/42/568626242.db2.gz WUGKMTLWFXJAOJ-RAXLEYEMSA-N -1 1 425.510 4.611 50 0 IJAAMM CCCOc1ccccc1[C@@H]1CC(=O)Nc2nc(SCc3ccc(C)cc3)[n-]c(=O)c21 ZINC000086057243 568642544 /nfs/dbraw/zinc/64/25/44/568642544.db2.gz HQNAZUHPKQTSLQ-SFHVURJKSA-N -1 1 435.549 4.634 50 0 IJAAMM O=C1C(=O)N(c2cccnc2)[C@H](c2ccccc2)C1=C([O-])c1ccc(Br)cc1 ZINC000000976526 568648047 /nfs/dbraw/zinc/64/80/47/568648047.db2.gz LZJHFEAVUDVYHD-LJQANCHMSA-N -1 1 435.277 4.627 50 0 IJAAMM O=C(C1=C([O-])C(=O)N(c2cccnc2)[C@@H]1c1ccccc1)c1ccc(Br)cc1 ZINC000000976526 568648048 /nfs/dbraw/zinc/64/80/48/568648048.db2.gz LZJHFEAVUDVYHD-LJQANCHMSA-N -1 1 435.277 4.627 50 0 IJAAMM COc1cc([C@H]2SC(C)=Nc3c2c(=O)[n-]n3C2CCCCCC2)cc2c1OCCO2 ZINC000085412397 568818426 /nfs/dbraw/zinc/81/84/26/568818426.db2.gz VMDHHQUSQJARHD-HXUWFJFHSA-N -1 1 429.542 4.738 50 0 IJAAMM Cc1ccccc1S(=O)(=O)[N-]c1ccc2sc(NC(=O)C3CCCCC3)nc2c1 ZINC000015870230 568851698 /nfs/dbraw/zinc/85/16/98/568851698.db2.gz TZVDNWLWNLOQAI-UHFFFAOYSA-N -1 1 429.567 4.924 50 0 IJAAMM O=C(/C=C/c1ccco1)NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)c([O-])c1 ZINC000001901096 568918369 /nfs/dbraw/zinc/91/83/69/568918369.db2.gz QXHNYLZWEPRFNZ-VMPITWQZSA-N -1 1 439.880 4.973 50 0 IJAAMM CCc1ccc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccccc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000064557958 568931904 /nfs/dbraw/zinc/93/19/04/568931904.db2.gz BMSNRRPVYLICDD-QFIPXVFZSA-N -1 1 433.529 4.889 50 0 IJAAMM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)NC2CCCCC2)c1C ZINC000064862082 568973863 /nfs/dbraw/zinc/97/38/63/568973863.db2.gz TXPKKVBHUIXALG-UHFFFAOYSA-N -1 1 427.570 4.509 50 0 IJAAMM COc1ccc(Br)cc1C(=O)Nc1ccc(-c2nc3cnccc3o2)c([O-])c1 ZINC000036353318 569083986 /nfs/dbraw/zinc/08/39/86/569083986.db2.gz JPMROIWDRHDDAJ-UHFFFAOYSA-N -1 1 440.253 4.619 50 0 IJAAMM O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(-c2nc3cnccc3o2)c([O-])c1 ZINC000036355008 569084365 /nfs/dbraw/zinc/08/43/65/569084365.db2.gz LTUVDPXSWPWFJV-UHFFFAOYSA-N -1 1 430.247 4.920 50 0 IJAAMM O=C(Cc1ccc([N-]S(=O)(=O)c2cccc3ccccc32)cc1)NCc1cccs1 ZINC000013850403 569157287 /nfs/dbraw/zinc/15/72/87/569157287.db2.gz CYGNOJNVHSAGBJ-UHFFFAOYSA-N -1 1 436.558 4.561 50 0 IJAAMM Cc1cccc(NS(=O)(=O)c2ccc(C)c([N-]S(=O)(=O)c3cc(C)ccc3C)c2)c1 ZINC000089672867 569161176 /nfs/dbraw/zinc/16/11/76/569161176.db2.gz BXLKQBOELHMHJD-UHFFFAOYSA-N -1 1 444.578 4.522 50 0 IJAAMM O=C(N[C@@H]1CCCc2ccccc21)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000089858354 569165851 /nfs/dbraw/zinc/16/58/51/569165851.db2.gz GVXCRWBFTJNZAN-JOCHJYFZSA-N -1 1 440.952 4.948 50 0 IJAAMM COc1ccc([C@H]2SC(C)=Nc3c2c(=O)[n-]n3[C@@H]2CCOC(C)(C)C2)c(OC)c1OC ZINC000095475026 569372608 /nfs/dbraw/zinc/37/26/08/569372608.db2.gz OJAXOPYCUPNWGW-BFUOFWGJSA-N -1 1 447.557 4.631 50 0 IJAAMM O=c1cc(-c2ccccc2)oc2c1c([O-])cc1c2[C@H](c2cccc3nccnc32)CC(=O)O1 ZINC000096113710 569382539 /nfs/dbraw/zinc/38/25/39/569382539.db2.gz UUFICDOYPMPUFA-INIZCTEOSA-N -1 1 436.423 4.550 50 0 biogenic IJAAMM O=c1cc2c(c3oc(-c4ccccc4)cc([O-])c1-3)[C@H](c1cccc3nccnc31)CC(=O)O2 ZINC000096113710 569382540 /nfs/dbraw/zinc/38/25/40/569382540.db2.gz UUFICDOYPMPUFA-INIZCTEOSA-N -1 1 436.423 4.550 50 0 biogenic IJAAMM CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2cc(Cl)cc3c2OCOC3)S1 ZINC000096116681 569383763 /nfs/dbraw/zinc/38/37/63/569383763.db2.gz NZFNCZMJHHAUTC-KDOFPFPSSA-N -1 1 449.960 4.713 50 0 IJAAMM Cc1ccnn1-c1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c1 ZINC000058004526 569444520 /nfs/dbraw/zinc/44/45/20/569444520.db2.gz RGZHTFPFMHWXLG-UHFFFAOYSA-N -1 1 446.532 4.542 50 0 IJAAMM Cc1ccc(C)c(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c1 ZINC000003307013 569445219 /nfs/dbraw/zinc/44/52/19/569445219.db2.gz CGDCEMRUQNUQHY-UHFFFAOYSA-N -1 1 444.940 4.775 50 0 IJAAMM CCCc1cc(=O)[n-]c(SCC(=O)c2cc(C)n(Cc3ccccc3Cl)c2C)n1 ZINC000003335815 569446667 /nfs/dbraw/zinc/44/66/67/569446667.db2.gz LMZKQERHSPABQH-UHFFFAOYSA-N -1 1 429.973 4.817 50 0 IJAAMM O=C(CSc1nc(-c2ccccc2)cc(=O)[n-]1)Nc1ccccc1Oc1ccccc1 ZINC000008440544 569464377 /nfs/dbraw/zinc/46/43/77/569464377.db2.gz SQOXAWHMTKYEBO-UHFFFAOYSA-N -1 1 429.501 4.960 50 0 IJAAMM O=C(Nc1nccs1)c1cc2ccc([O-])cc2o/c1=N\c1ccc(OC(F)(F)F)cc1 ZINC000067298184 569468126 /nfs/dbraw/zinc/46/81/26/569468126.db2.gz XKYGAGYTWAVRLY-BWAHOGKJSA-N -1 1 447.394 4.978 50 0 IJAAMM C=Cc1ccc(Cn2c(C)c(CNCc3cc(OC)ccc3OC)c(C(=O)[O-])c2C)cc1 ZINC000008932900 569487755 /nfs/dbraw/zinc/48/77/55/569487755.db2.gz LYADRSMJQHTRNI-UHFFFAOYSA-N -1 1 434.536 4.801 50 0 IJAAMM O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1nc[n-]c1C(=O)Nc1ccccc1 ZINC000008996962 569495863 /nfs/dbraw/zinc/49/58/63/569495863.db2.gz BMXZHSPIJIZXSI-UHFFFAOYSA-N -1 1 444.878 4.799 50 0 IJAAMM CCN1c2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2OCC(C)(C)C1=O ZINC000009166087 569508892 /nfs/dbraw/zinc/50/88/92/569508892.db2.gz RWOZPUZNVGDKTB-UHFFFAOYSA-N -1 1 430.570 4.556 50 0 IJAAMM CCCN1c2ccc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)cc2OCC(C)(C)C1=O ZINC000009167730 569509093 /nfs/dbraw/zinc/50/90/93/569509093.db2.gz JMDZHSWPVCBCTP-UHFFFAOYSA-N -1 1 430.570 4.772 50 0 IJAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3CCC(C)C)cc1 ZINC000009169338 569509230 /nfs/dbraw/zinc/50/92/30/569509230.db2.gz SOCFANWSGPSKFJ-UHFFFAOYSA-N -1 1 430.570 4.594 50 0 IJAAMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(OCC)cc3)c2)cc1 ZINC000009338358 569523638 /nfs/dbraw/zinc/52/36/38/569523638.db2.gz WRNKCLDHIQEBGA-UHFFFAOYSA-N -1 1 440.521 4.537 50 0 IJAAMM O=S(=O)([N-]c1ccc(-c2ccc(N3CCCC3)nn2)cc1)c1ccc2ccccc2c1 ZINC000009714646 569562815 /nfs/dbraw/zinc/56/28/15/569562815.db2.gz VLVIWHFTNGGSFO-UHFFFAOYSA-N -1 1 430.533 4.698 50 0 IJAAMM