smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1cccc(Cl)c1 ZINC000408536860 231054157 /nfs/dbraw/zinc/05/41/57/231054157.db2.gz SULSXYLZZQYNNE-CQSZACIVSA-N 0 2 376.199 3.595 40 30 GHEBLN Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccccc3C(F)(F)F)C2=O)cc1 ZINC000408537488 231054964 /nfs/dbraw/zinc/05/49/64/231054964.db2.gz VRPDZLATYHVAFH-CYBMUJFWSA-N 0 2 389.333 3.615 40 30 GHEBLN O=C(CC1S/C(=N\c2ccccc2)N(C2CC2)C1=O)Nc1ccc(F)cc1 ZINC000102962237 527185607 /nfs/dbraw/zinc/18/56/07/527185607.db2.gz QGLNGCHAEXBNRJ-HLGQQVFSSA-N 0 2 383.448 3.948 40 30 GHEBLN O=C(C[C@H]1S/C(=N\c2ccccc2)N(C2CC2)C1=O)Nc1ccc(F)cc1 ZINC000102962237 527185617 /nfs/dbraw/zinc/18/56/17/527185617.db2.gz QGLNGCHAEXBNRJ-HLGQQVFSSA-N 0 2 383.448 3.948 40 30 GHEBLN CCOc1ccccc1NC(=O)C(C#N)=C1C(=O)c2ccccc2C(O)=C1Cl ZINC000001617388 570266056 /nfs/dbraw/zinc/26/60/56/570266056.db2.gz WKZKDGZXUGVVHY-CQSZACIVSA-N 0 2 394.814 3.736 40 30 GHEBLN Cc1[nH]n(-c2ccccc2)c(=O)c1C(C)(C#N)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000016607668 570928844 /nfs/dbraw/zinc/92/88/44/570928844.db2.gz MKNWARFTXNRPCG-PMACEKPBSA-N 0 2 399.454 3.594 40 30 GHEBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(Cl)cc1 ZINC000408534045 231052913 /nfs/dbraw/zinc/05/29/13/231052913.db2.gz KXNXCRIBVVCMTL-AWEZNQCLSA-N 0 2 376.199 3.595 40 30 GHEBLN Cc1cccc(N2C(=O)NC(=O)C(=CNc3cccc(C(F)(F)F)c3)C2=O)c1 ZINC000408537081 231054628 /nfs/dbraw/zinc/05/46/28/231054628.db2.gz UMCQBZVSIGGTKP-OAHLLOKOSA-N 0 2 389.333 3.615 40 30 GHEBLN Cc1ccccc1N1C(=O)NC(=O)C(=CNc2ccccc2C(F)(F)F)C1=O ZINC000408536436 534821745 /nfs/dbraw/zinc/82/17/45/534821745.db2.gz RIZMKZOJHXZUCQ-GFCCVEGCSA-N 0 2 389.333 3.615 40 30 GHEBLN O=C(Nc1cc2c(cc1Cl)-c1ccc([N+](=O)[O-])cc1/C2=N\O)C(F)(F)F ZINC000100608724 570273482 /nfs/dbraw/zinc/27/34/82/570273482.db2.gz AMEQBBSTQFLCDZ-FYJGNVAPSA-N 0 2 385.685 3.956 40 30 GHEBLN CCc1nnc(C2=C(O)C(=Cc3cc(Cl)c(O)c(OC)c3)SC2=N)s1 ZINC000139225356 856625216 /nfs/dbraw/zinc/62/52/16/856625216.db2.gz IHAXMJYUAXJQKG-CBFBWWQMSA-N 0 2 395.893 3.886 40 30 GHEBLN COc1ccc(NN=C2C(=O)N(c3cccc(C(F)(F)F)c3)N=C2C)cc1 ZINC000102949681 524380781 /nfs/dbraw/zinc/38/07/81/524380781.db2.gz DRRKLVUJANCNAJ-KQWNVCNZSA-N 0 2 376.338 3.905 40 30 GHEBLN N#C[C@H](C(=O)CCC(=O)NCCc1ccccc1)c1nc2ccccc2s1 ZINC000006574992 526504738 /nfs/dbraw/zinc/50/47/38/526504738.db2.gz DDILFQVJQVUPOH-MRXNPFEDSA-N 0 2 377.469 3.612 40 30 GHEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc1 ZINC000408803282 526833861 /nfs/dbraw/zinc/83/38/61/526833861.db2.gz NFCPPPYIUQLUOW-QGOAFFKASA-N 0 2 376.412 3.535 40 30 GHEBLN CCc1nnc(C2=C(O)C(=Cc3cc(OC)ccc3OC)SC2=N)s1 ZINC000136658632 570497250 /nfs/dbraw/zinc/49/72/50/570497250.db2.gz WDJLCCIWOLHHIW-FOCIWHPXSA-N 0 2 375.475 3.536 40 30 GHEBLN Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000408537316 231054853 /nfs/dbraw/zinc/05/48/53/231054853.db2.gz VERRTUFKLWUXLJ-ZDUSSCGKSA-N 0 2 390.226 3.903 40 30 GHEBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(C#N)cc4)o3)C2=O)c1 ZINC000409022349 231147580 /nfs/dbraw/zinc/14/75/80/231147580.db2.gz LAKWMJRIXVGXJP-XDHOZWIPSA-N 0 2 397.390 3.793 40 30 GHEBLN O=C(CC1S/C(=N\c2ccccc2)N(C2CC2)C1=O)Nc1ccccc1F ZINC000102962215 527186303 /nfs/dbraw/zinc/18/63/03/527186303.db2.gz UFASEKIARGLUCE-SLNYWTKHSA-N 0 2 383.448 3.948 40 30 GHEBLN O=C(C[C@H]1S/C(=N\c2ccccc2)N(C2CC2)C1=O)Nc1ccccc1F ZINC000102962215 527186307 /nfs/dbraw/zinc/18/63/07/527186307.db2.gz UFASEKIARGLUCE-SLNYWTKHSA-N 0 2 383.448 3.948 40 30 GHEBLN Cc1cccc(C)c1NC(=O)C(C#N)=C1C(=O)c2ccccc2C(O)=C1Cl ZINC000001624013 570266065 /nfs/dbraw/zinc/26/60/65/570266065.db2.gz GMGMKZMQQOCXPX-OAHLLOKOSA-N 0 2 378.815 3.954 40 30 GHEBLN Cc1cc(C)cc(C/N=C2\NC(=O)/C(=C/c3ccc(O)c([N+](=O)[O-])c3)S2)c1 ZINC000083316659 570629060 /nfs/dbraw/zinc/62/90/60/570629060.db2.gz PELAVSYACQASNO-MFOYZWKCSA-N 0 2 383.429 3.677 40 30 GHEBLN Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccccc3C(F)(F)F)C2=O)cc1 ZINC000408537489 231055419 /nfs/dbraw/zinc/05/54/19/231055419.db2.gz VRPDZLATYHVAFH-ZDUSSCGKSA-N 0 2 389.333 3.615 40 30 GHEBLN Cc1ccc(N2C(=O)NC(=O)C(=CNc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000408535715 231053636 /nfs/dbraw/zinc/05/36/36/231053636.db2.gz ONDYVVDHYHZWMF-OAHLLOKOSA-N 0 2 389.333 3.615 40 30 GHEBLN O=C1NC(=O)N(c2ccccc2F)C(=O)C1=CNc1cc(Cl)cc(Cl)c1 ZINC000408535703 231054456 /nfs/dbraw/zinc/05/44/56/231054456.db2.gz OMRVFQCPTWOEMT-GFCCVEGCSA-N 0 2 394.189 3.734 40 30 GHEBLN Cc1cccc(N2C(=O)NC(=O)C(=CNc3ccccc3C(F)(F)F)C2=O)c1 ZINC000408538012 231055099 /nfs/dbraw/zinc/05/50/99/231055099.db2.gz YLXAQKYLSOQVPM-ZDUSSCGKSA-N 0 2 389.333 3.615 40 30 GHEBLN Cc1ccc(S(=O)(=O)N/N=C(C(=N/O)/c2ccccc2)\c2ccccc2)cc1 ZINC000104110530 525514755 /nfs/dbraw/zinc/51/47/55/525514755.db2.gz QESFTDWENQWUBL-DQPVQCHKSA-N 0 2 393.468 3.556 40 30 GHEBLN O=C(CSc1nnc(N=[NH+]C2CCCCC2)[n-]1)Nc1ccc(F)c(F)c1 ZINC000020436177 527049618 /nfs/dbraw/zinc/04/96/18/527049618.db2.gz QLQXOOKIFJPLKP-UHFFFAOYSA-N 0 2 380.424 3.546 40 30 GHEBLN CCC(C)N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1OC ZINC000007932076 570327117 /nfs/dbraw/zinc/32/71/17/570327117.db2.gz WKNIGEAXFXEXJK-LDADJPATSA-N 0 2 392.437 3.602 40 30 GHEBLN CCc1nnc(C2=C(O)C(=Cc3ccc(OC)cc3OC)SC2=N)s1 ZINC000138401980 571049060 /nfs/dbraw/zinc/04/90/60/571049060.db2.gz PIBSOWQVCVKPFK-IWFHXNARSA-N 0 2 375.475 3.536 40 30 GHEBLN C=CCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c1 ZINC000408940855 526896574 /nfs/dbraw/zinc/89/65/74/526896574.db2.gz VJBOXDPPAAVJDX-QINSGFPZSA-N 0 2 382.803 3.571 40 30 GHEBLN C=CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2cc(Cl)ccc2C)C1=O ZINC000408809505 526922330 /nfs/dbraw/zinc/92/23/30/526922330.db2.gz HHUWIOOYQXOYLX-LFIBNONCSA-N 0 2 396.830 3.880 40 30 GHEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1 ZINC000408802873 526833461 /nfs/dbraw/zinc/83/34/61/526833461.db2.gz IPLPYOXCYRCYBJ-NTCAYCPXSA-N 0 2 382.803 3.571 40 30 GHEBLN C=CCSc1nnc(NS(=O)(=O)c2cc(Cl)ccc2Cl)s1 ZINC000222544914 570831057 /nfs/dbraw/zinc/83/10/57/570831057.db2.gz DSTZMTBMWMQKMK-UHFFFAOYSA-N 0 2 382.319 3.924 40 30 GHEBLN Cc1ccc(N2C(=O)NC(=O)C(=CNc3cc(Cl)cc(Cl)c3)C2=O)cc1 ZINC000408536669 231053644 /nfs/dbraw/zinc/05/36/44/231053644.db2.gz SKTSXFUTUMSZTJ-OAHLLOKOSA-N 0 2 390.226 3.903 40 30 GHEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)ccc1OC ZINC000408987872 527227252 /nfs/dbraw/zinc/22/72/52/527227252.db2.gz PDAQUZVLTMJDPE-RGEXLXHISA-N 0 2 390.439 3.653 40 30 GHEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1O ZINC000408985248 527227909 /nfs/dbraw/zinc/22/79/09/527227909.db2.gz KCSAMIQKXBNDLJ-YBEGLDIGSA-N 0 2 396.830 3.749 40 30 GHEBLN Cc1cc(/N=C\c2cccc([N+](=O)[O-])c2O)ccc1I ZINC000409101717 231160567 /nfs/dbraw/zinc/16/05/67/231160567.db2.gz XKDQRIRGLDCYAH-PXNMLYILSA-N 0 2 382.157 3.964 40 30 GHEBLN CCCC/N=C1\SC(CC(=O)Nc2ccc(OC)cc2)C(=O)N1CCCC ZINC000100918863 519887325 /nfs/dbraw/zinc/88/73/25/519887325.db2.gz MSSPDEHKDPSLJC-QBEKEKFNSA-N 0 2 391.537 3.924 40 30 GHEBLN CCCC/N=C1\S[C@H](CC(=O)Nc2ccc(OC)cc2)C(=O)N1CCCC ZINC000100918863 519887327 /nfs/dbraw/zinc/88/73/27/519887327.db2.gz MSSPDEHKDPSLJC-QBEKEKFNSA-N 0 2 391.537 3.924 40 30 GHEBLN Cc1ccc(S(=O)(=O)N/N=C(C(=N\O)\c2ccccc2)/c2ccccc2)cc1 ZINC000104110535 525513206 /nfs/dbraw/zinc/51/32/06/525513206.db2.gz QESFTDWENQWUBL-KEEJTVGESA-N 0 2 393.468 3.556 40 30 GHEBLN C=CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000408799904 526922532 /nfs/dbraw/zinc/92/25/32/526922532.db2.gz JFJGSJRCZLESBR-FOWTUZBSSA-N 0 2 382.803 3.571 40 30 GHEBLN CCOc1ccc(N=C2NC(=O)/C(=C\c3cccc([N+](=O)[O-])c3O)S2)cc1 ZINC000408950933 528485016 /nfs/dbraw/zinc/48/50/16/528485016.db2.gz GWSAIZGLGVMSIA-XNTDXEJSSA-N 0 2 385.401 3.591 40 30 GHEBLN COc1ccc(N=C2S/C(=C\c3ccc(O)c([N+](=O)[O-])c3)C(=O)N2C)cc1 ZINC000408962372 534026039 /nfs/dbraw/zinc/02/60/39/534026039.db2.gz HVEKPGMNRSJJFK-MVSXMAMESA-N 0 2 385.401 3.543 40 30 GHEBLN Cc1ccccc1N1C(=O)NC(=O)C(=CNc2cc(Cl)cc(Cl)c2)C1=O ZINC000408530869 534820926 /nfs/dbraw/zinc/82/09/26/534820926.db2.gz FYIDGAOXZNXEFY-CQSZACIVSA-N 0 2 390.226 3.903 40 30 GHEBLN C=CCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)c1 ZINC000408935107 570686950 /nfs/dbraw/zinc/68/69/50/570686950.db2.gz GTBJEKDFQGKGBS-AQTBWJFISA-N 0 2 376.412 3.535 40 30 GHEBLN C=CCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c1 ZINC000408937052 570687379 /nfs/dbraw/zinc/68/73/79/570687379.db2.gz MFOOOHACROWSJF-UYRXBGFRSA-N 0 2 376.412 3.535 40 30 GHEBLN O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1cc([N+](=O)[O-])ccc1O ZINC000409299582 231189372 /nfs/dbraw/zinc/18/93/72/231189372.db2.gz UHKSRDWFQSOSJA-UHFFFAOYSA-N 0 2 392.415 3.940 40 30 GHEBLN CCOc1ccccc1/N=C1\NC(=O)/C(=C\c2cc([N+](=O)[O-])ccc2O)S1 ZINC000012032394 204369141 /nfs/dbraw/zinc/36/91/41/204369141.db2.gz YQMXCZHCKSSXEK-MHWRWJLKSA-N 0 2 385.401 3.591 40 30 GHEBLN O=C(C[C@@H]1SC(=NN=CC=Cc2ccccc2)NC1=O)c1ccc(F)cc1 ZINC000016754351 527143188 /nfs/dbraw/zinc/14/31/88/527143188.db2.gz SEPSKUAIUAJEKI-UTIZNNRUSA-N 0 2 381.432 3.685 40 30 GHEBLN O=C(CC1SC(=NN=CC=Cc2ccccc2)NC1=O)c1ccc(F)cc1 ZINC000016754351 527143197 /nfs/dbraw/zinc/14/31/97/527143197.db2.gz SEPSKUAIUAJEKI-UTIZNNRUSA-N 0 2 381.432 3.685 40 30 GHEBLN O=C(Nc1cc2c(cc1Cl)-c1ccc([N+](=O)[O-])cc1/C2=N/O)C(F)(F)F ZINC000022246399 570310497 /nfs/dbraw/zinc/31/04/97/570310497.db2.gz AMEQBBSTQFLCDZ-BKUYFWCQSA-N 0 2 385.685 3.956 40 30 GHEBLN CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2O)ccc1O ZINC000006024755 856597378 /nfs/dbraw/zinc/59/73/78/856597378.db2.gz RTNQICFWOLIDQP-HFENLWAASA-N 0 2 375.475 3.623 40 30 GHEBLN Cc1ccc(NC=C2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000408536183 231054292 /nfs/dbraw/zinc/05/42/92/231054292.db2.gz QDPPSHVUFAFYKL-OAHLLOKOSA-N 0 2 389.333 3.615 40 30 GHEBLN O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1cccc([N+](=O)[O-])c1O ZINC000409407701 231202074 /nfs/dbraw/zinc/20/20/74/231202074.db2.gz VJQFWRMHPYKGDY-UHFFFAOYSA-N 0 2 386.367 3.560 40 30 GHEBLN Cc1ccccc1N1C(=O)NC(=O)C(=CNc2ccc(Cl)cc2Cl)C1=O ZINC000408530358 534820659 /nfs/dbraw/zinc/82/06/59/534820659.db2.gz FDDYCSREWCJFDQ-LBPRGKRZSA-N 0 2 390.226 3.903 40 30 GHEBLN Cc1ccccc1N1C(=O)NC(=O)C(=CNc2ccc(Cl)cc2Cl)C1=O ZINC000408530356 534821716 /nfs/dbraw/zinc/82/17/16/534821716.db2.gz FDDYCSREWCJFDQ-GFCCVEGCSA-N 0 2 390.226 3.903 40 30 GHEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1Cl ZINC000408798907 526834165 /nfs/dbraw/zinc/83/41/65/526834165.db2.gz GJPDSICYGBDIOY-RVDMUPIBSA-N 0 2 396.830 3.880 40 30 GHEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCC ZINC000408781008 527227963 /nfs/dbraw/zinc/22/79/63/527227963.db2.gz PSGOAOCEYYYYDB-XMHGGMMESA-N 0 2 390.439 3.789 40 30 GHEBLN CSc1cc(Cl)c(C)cc1S(=O)(=O)N=C(O)NNc1ccc(C)cc1 ZINC000001857847 570269896 /nfs/dbraw/zinc/26/98/96/570269896.db2.gz FIJSMUZTCZXTBY-UHFFFAOYSA-N 0 2 399.925 3.898 40 30 GHEBLN CCc1nnc(C2=C(O)C(=Cc3cc4c(cc3Cl)OCO4)SC2=N)s1 ZINC000136102853 570495099 /nfs/dbraw/zinc/49/50/99/570495099.db2.gz HIOIAWSGTHCAOW-YYUXNYDTSA-N 0 2 393.877 3.900 40 30 GHEBLN Cc1cc(C)n(-c2cc(NN=Cc3cc(Cl)cc(Cl)c3O)ncn2)n1 ZINC000004713141 570636525 /nfs/dbraw/zinc/63/65/25/570636525.db2.gz ZQPPUFGSURFJGS-QPSGOUHRSA-N 0 2 377.235 3.738 40 30 GHEBLN Cc1cc(C)n(-c2cc(N=NCc3cc(Cl)cc(Cl)c3O)ncn2)n1 ZINC000004713141 570636531 /nfs/dbraw/zinc/63/65/31/570636531.db2.gz ZQPPUFGSURFJGS-QPSGOUHRSA-N 0 2 377.235 3.738 40 30 GHEBLN O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc(N3CCOCC3)cc2C(F)(F)F)c1 ZINC000059475487 570657797 /nfs/dbraw/zinc/65/77/97/570657797.db2.gz IXEKOOUFCWFWTQ-SSDVNMTOSA-N 0 2 395.337 3.906 40 30 GHEBLN C=CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2C)C1=O ZINC000408810983 526922644 /nfs/dbraw/zinc/92/26/44/526922644.db2.gz NETQTNLMXNNOFE-GHRIWEEISA-N 0 2 376.412 3.535 40 30 GHEBLN O=[N+]([O-])c1cccc(/C=N/c2cc(C(F)(F)F)ccc2N2CCOCC2)c1O ZINC000003184136 570331503 /nfs/dbraw/zinc/33/15/03/570331503.db2.gz IRUBSRNMSLUURK-SSDVNMTOSA-N 0 2 395.337 3.906 40 30 GHEBLN O=[N+]([O-])c1cccc(/C=N/CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1O ZINC000019202091 570959408 /nfs/dbraw/zinc/95/94/08/570959408.db2.gz LGBRVLRLSGCDRB-AWQFTUOYSA-N 0 2 398.297 3.758 40 30 GHEBLN C=CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2C)C1=O ZINC000408811066 526922459 /nfs/dbraw/zinc/92/24/59/526922459.db2.gz KYMMRKIUHZRQCR-NTCAYCPXSA-N 0 2 396.830 3.880 40 30 GHEBLN O=C(CSc1nnc(N=[NH+]C2CCCC2)[n-]1)Nc1cccc(C(F)(F)F)c1 ZINC000020438168 527049499 /nfs/dbraw/zinc/04/94/99/527049499.db2.gz LDTRLUVLPSKGCT-UHFFFAOYSA-N 0 2 398.414 3.896 40 30 GHEBLN Cc1cc(/C=N/c2ccc(N3CCOCC3)c(Cl)c2)c(O)c([N+](=O)[O-])c1 ZINC000006714397 570489808 /nfs/dbraw/zinc/48/98/08/570489808.db2.gz CMQLWRMPISVFDC-RGVLZGJSSA-N 0 2 375.812 3.849 40 30 GHEBLN Cc1ccc(C(=O)Cc2nc(C#N)c(C#N)nc2C=C(O)c2ccc(C)cc2)cc1 ZINC000001588974 206387169 /nfs/dbraw/zinc/38/71/69/206387169.db2.gz JYLQEGMWAIAHJF-UHFFFAOYSA-N 0 2 394.434 3.688 40 30 GHEBLN C=CCN1C(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3O)o2)SC1=S ZINC000408806606 526389949 /nfs/dbraw/zinc/38/99/49/526389949.db2.gz ALCHDJGVOYPKLU-DHDCSXOGSA-N 0 2 388.426 3.948 40 30 GHEBLN O=C(CC1S/C(=N\c2ccccc2)N(C2CC2)C1=O)Nc1ccccc1F ZINC000102962211 527144684 /nfs/dbraw/zinc/14/46/84/527144684.db2.gz UFASEKIARGLUCE-WXVFVKJXSA-N 0 2 383.448 3.948 40 30 GHEBLN O=C(C[C@@H]1S/C(=N\c2ccccc2)N(C2CC2)C1=O)Nc1ccccc1F ZINC000102962211 527144690 /nfs/dbraw/zinc/14/46/90/527144690.db2.gz UFASEKIARGLUCE-WXVFVKJXSA-N 0 2 383.448 3.948 40 30 GHEBLN Cc1[nH]n(-c2ccccc2)c(=O)c1C=[NH+][N-]c1ncnc2sc3c(c21)CCC3 ZINC000096305906 527548498 /nfs/dbraw/zinc/54/84/98/527548498.db2.gz YDHUCNZAWZJECU-AUEPDCJTSA-N 0 2 390.472 3.826 40 30 GHEBLN CCCC/N=C1\SC(CC(=O)Nc2cccc(OC)c2)C(=O)N1CCCC ZINC000012173276 570619556 /nfs/dbraw/zinc/61/95/56/570619556.db2.gz JUMQOMBRFKELOX-QBEKEKFNSA-N 0 2 391.537 3.924 40 30 GHEBLN CCCC/N=C1\S[C@H](CC(=O)Nc2cccc(OC)c2)C(=O)N1CCCC ZINC000012173276 570619557 /nfs/dbraw/zinc/61/95/57/570619557.db2.gz JUMQOMBRFKELOX-QBEKEKFNSA-N 0 2 391.537 3.924 40 30 GHEBLN O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1ccc(O)c([N+](=O)[O-])c1 ZINC000013575503 527042912 /nfs/dbraw/zinc/04/29/12/527042912.db2.gz SHXHWOPEFBMMKJ-RIYZIHGNSA-N 0 2 375.793 3.845 40 30 GHEBLN Cc1[nH]n(-c2ccccc2)c(=O)c1C(C)(C#N)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000100989745 208386010 /nfs/dbraw/zinc/38/60/10/208386010.db2.gz MKNWARFTXNRPCG-DETIRCLXSA-N 0 2 399.454 3.594 40 30 GHEBLN Cc1ccccc1N1C(=O)NC(=O)C(=CNc2cc(Cl)cc(Cl)c2)C1=O ZINC000408530866 534820680 /nfs/dbraw/zinc/82/06/80/534820680.db2.gz FYIDGAOXZNXEFY-AWEZNQCLSA-N 0 2 390.226 3.903 40 30 GHEBLN C=CCOc1cccc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c1 ZINC000408938801 526896690 /nfs/dbraw/zinc/89/66/90/526896690.db2.gz RPNBGDDFPIHCPP-BOPFTXTBSA-N 0 2 382.803 3.571 40 30 GHEBLN C=CCOc1cccc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c1 ZINC000408942285 526896945 /nfs/dbraw/zinc/89/69/45/526896945.db2.gz YVMMASCIALHGIX-AQTBWJFISA-N 0 2 376.412 3.535 40 30 GHEBLN C=CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(Cl)c2)C1=O ZINC000408811715 526922562 /nfs/dbraw/zinc/92/25/62/526922562.db2.gz ROUHCGDXRJLQIZ-LFIBNONCSA-N 0 2 396.830 3.880 40 30 GHEBLN O=C1NC(=Nc2cccc(Cl)c2)S/C1=C\c1ccc(O)c([N+](=O)[O-])c1 ZINC000408962673 534783396 /nfs/dbraw/zinc/78/33/96/534783396.db2.gz JDEGXOIXIIVLBN-AUWJEWJLSA-N 0 2 375.793 3.845 40 30 GHEBLN CCOc1ccccc1NC(=O)C(C#N)=C1C(=O)c2ccccc2C(O)=C1Cl ZINC000005962368 570463458 /nfs/dbraw/zinc/46/34/58/570463458.db2.gz WKZKDGZXUGVVHY-AWEZNQCLSA-N 0 2 394.814 3.736 40 30 GHEBLN CCc1nnc(C2=C(O)C(=Cc3ccc(OC)c(OC)c3)SC2=N)s1 ZINC000139053892 570727683 /nfs/dbraw/zinc/72/76/83/570727683.db2.gz VCLDJYJBFCTQBI-FOCIWHPXSA-N 0 2 375.475 3.536 40 30 GHEBLN Cc1cccc(N2C(=O)NC(=O)C(=CNc3ccc(Cl)cc3Cl)C2=O)c1 ZINC000408531860 231052265 /nfs/dbraw/zinc/05/22/65/231052265.db2.gz HJUFOEONLQZCDG-CYBMUJFWSA-N 0 2 390.226 3.903 40 30 GHEBLN COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)S1 ZINC000408881114 533392118 /nfs/dbraw/zinc/39/21/18/533392118.db2.gz JMILJZFODHJOOF-SXGWCWSVSA-N 0 2 385.401 3.509 40 30 GHEBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccccc1Cl ZINC000408533704 231052352 /nfs/dbraw/zinc/05/23/52/231052352.db2.gz KMUHNBNGXXGXAS-LBPRGKRZSA-N 0 2 376.199 3.595 40 30 GHEBLN Cc1cc(/N=C\c2ccc(O)c([N+](=O)[O-])c2)ccc1I ZINC000408904023 231127230 /nfs/dbraw/zinc/12/72/30/231127230.db2.gz CLYUAHPKJMAKMF-PXNMLYILSA-N 0 2 382.157 3.964 40 30 GHEBLN O=S(=O)(Oc1ccc(Br)cc1/C=N/O)c1ccc(Cl)cc1 ZINC000409075511 231155614 /nfs/dbraw/zinc/15/56/14/231155614.db2.gz WNICYSOZZZGSKB-LZYBPNLTSA-N 0 2 390.642 3.678 40 30 GHEBLN C#CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O ZINC000408818908 527117243 /nfs/dbraw/zinc/11/72/43/527117243.db2.gz YTPRANXYTHUWQG-HMMYKYKNSA-N 0 2 396.402 3.518 40 30 GHEBLN N=c1[nH]nc(-c2cccc(/N=C/c3cc(Br)ccc3O)c2)s1 ZINC000408718087 231104578 /nfs/dbraw/zinc/10/45/78/231104578.db2.gz IMVAFZFEVBEEMP-QGMBQPNBSA-N 0 2 375.251 3.836 40 30 GHEBLN CCOc1ccc(NC(=O)CC2S/C(=N\c3ccc(C)cc3C)NC2=O)cc1 ZINC000005673574 521072161 /nfs/dbraw/zinc/07/21/61/521072161.db2.gz OZBCLCBZGFTEGI-SFHVURJKSA-N 0 2 397.500 3.950 40 30 GHEBLN O=C(CC1S/C(=N\c2ccccc2)N(C2CC2)C1=O)Nc1ccc(F)cc1 ZINC000102962236 527144121 /nfs/dbraw/zinc/14/41/21/527144121.db2.gz QGLNGCHAEXBNRJ-DVCONVQISA-N 0 2 383.448 3.948 40 30 GHEBLN O=C(C[C@@H]1S/C(=N\c2ccccc2)N(C2CC2)C1=O)Nc1ccc(F)cc1 ZINC000102962236 527144131 /nfs/dbraw/zinc/14/41/31/527144131.db2.gz QGLNGCHAEXBNRJ-DVCONVQISA-N 0 2 383.448 3.948 40 30 GHEBLN Cc1cccc(N2C(=O)NC(=O)C(=CNc3ccccc3C(F)(F)F)C2=O)c1 ZINC000408538011 231055528 /nfs/dbraw/zinc/05/55/28/231055528.db2.gz YLXAQKYLSOQVPM-CYBMUJFWSA-N 0 2 389.333 3.615 40 30 GHEBLN Cc1ccc(NC=C2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000408536181 231054121 /nfs/dbraw/zinc/05/41/21/231054121.db2.gz QDPPSHVUFAFYKL-HNNXBMFYSA-N 0 2 389.333 3.615 40 30 GHEBLN CCOc1ccc(N=C2S/C(=C\c3ccc(O)c([N+](=O)[O-])c3)C(=O)N2C)cc1 ZINC000408965989 528485109 /nfs/dbraw/zinc/48/51/09/528485109.db2.gz YLAGZJOOOGGWNJ-JWZKOSBISA-N 0 2 399.428 3.933 40 30 GHEBLN Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)[nH]c2SC[C@H]2CO2)cc1 ZINC000005446267 570595367 /nfs/dbraw/zinc/59/53/67/570595367.db2.gz ATLBKUQMCNLOPD-OAHLLOKOSA-N 0 2 386.498 3.709 40 30 GHEBLN Cc1ccc(S(=O)(=O)c2[nH]c(-c3ccccc3)nc2SC[C@H]2CO2)cc1 ZINC000005446267 570595369 /nfs/dbraw/zinc/59/53/69/570595369.db2.gz ATLBKUQMCNLOPD-OAHLLOKOSA-N 0 2 386.498 3.709 40 30 GHEBLN CCC(=O)NC(=S)Nc1ccc(/N=C/c2cc(C)cc([N+](=O)[O-])c2O)cc1 ZINC000006386257 570743556 /nfs/dbraw/zinc/74/35/56/570743556.db2.gz ASKGFJKQQMKRCO-VXLYETTFSA-N 0 2 386.433 3.582 40 30 GHEBLN O=C(CC1S/C(=N/c2ccccc2)N(C2CC2)C1=O)Nc1ccc(F)cc1 ZINC000006434065 570911772 /nfs/dbraw/zinc/91/17/72/570911772.db2.gz QGLNGCHAEXBNRJ-LRWZUSMTSA-N 0 2 383.448 3.948 40 30 GHEBLN O=C(C[C@H]1S/C(=N/c2ccccc2)N(C2CC2)C1=O)Nc1ccc(F)cc1 ZINC000006434065 570911776 /nfs/dbraw/zinc/91/17/76/570911776.db2.gz QGLNGCHAEXBNRJ-LRWZUSMTSA-N 0 2 383.448 3.948 40 30 GHEBLN O=C(CC1S/C(=N/c2ccccc2)N(C2CC2)C1=O)Nc1ccc(F)cc1 ZINC000006434061 211575927 /nfs/dbraw/zinc/57/59/27/211575927.db2.gz QGLNGCHAEXBNRJ-OLRQPGBRSA-N 0 2 383.448 3.948 40 30 GHEBLN O=C(C[C@@H]1S/C(=N/c2ccccc2)N(C2CC2)C1=O)Nc1ccc(F)cc1 ZINC000006434061 211575931 /nfs/dbraw/zinc/57/59/31/211575931.db2.gz QGLNGCHAEXBNRJ-OLRQPGBRSA-N 0 2 383.448 3.948 40 30 GHEBLN CCOc1ccc(NC(=O)CC2S/C(=N\c3ccc(C)cc3C)NC2=O)cc1 ZINC000005673557 521074107 /nfs/dbraw/zinc/07/41/07/521074107.db2.gz OZBCLCBZGFTEGI-GOSISDBHSA-N 0 2 397.500 3.950 40 30 GHEBLN C=CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O ZINC000408808498 526921931 /nfs/dbraw/zinc/92/19/31/526921931.db2.gz JDUNILQSWSQJAO-LFIBNONCSA-N 0 2 382.803 3.571 40 30 GHEBLN C=CCSc1nnc(NS(=O)(=O)c2cc3c(cc2OC)CCCC3)s1 ZINC000224356227 570395440 /nfs/dbraw/zinc/39/54/40/570395440.db2.gz ONWGSJRUQPWGTQ-UHFFFAOYSA-N 0 2 397.547 3.504 40 30 GHEBLN CCN(CC)C(=O)CSc1nnc(N[NH+]=C(C)c2ccc3ccccc3c2)[n-]1 ZINC000020608567 520493317 /nfs/dbraw/zinc/49/33/17/520493317.db2.gz YGVRTYDKSXYKGI-HYARGMPZSA-N 0 2 396.520 3.755 40 30 GHEBLN CCc1ccccc1NC(=O)CC1S/C(=N\c2nccs2)N(CC)C1=O ZINC000013116585 570421960 /nfs/dbraw/zinc/42/19/60/570421960.db2.gz JQORUSSEOMDZBX-WVCJAJDESA-N 0 2 388.518 3.686 40 30 GHEBLN CCc1ccccc1NC(=O)C[C@H]1S/C(=N\c2nccs2)N(CC)C1=O ZINC000013116585 570421961 /nfs/dbraw/zinc/42/19/61/570421961.db2.gz JQORUSSEOMDZBX-WVCJAJDESA-N 0 2 388.518 3.686 40 30 GHEBLN Cc1cccc(N2C(=O)NC(=O)C(=CNc3cccc(C(F)(F)F)c3)C2=O)c1 ZINC000408537079 231054592 /nfs/dbraw/zinc/05/45/92/231054592.db2.gz UMCQBZVSIGGTKP-HNNXBMFYSA-N 0 2 389.333 3.615 40 30 GHEBLN COCCN1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC1=Nc1ccccc1 ZINC000408962334 231136223 /nfs/dbraw/zinc/13/62/23/231136223.db2.gz HMPJFBUVBDLYDP-HDTIWSQQSA-N 0 2 399.428 3.551 40 30 GHEBLN CCCCCCCCNC(=O)C[C@H]1SC(=NN=Cc2ccco2)NC1=O ZINC000100167952 520033765 /nfs/dbraw/zinc/03/37/65/520033765.db2.gz VAAXDQYYNVCKHE-OOWUWCJESA-N 0 2 378.498 3.908 40 30 GHEBLN CCCCCCCCNC(=O)CC1SC(=NN=Cc2ccco2)NC1=O ZINC000100167952 520033769 /nfs/dbraw/zinc/03/37/69/520033769.db2.gz VAAXDQYYNVCKHE-OOWUWCJESA-N 0 2 378.498 3.908 40 30 GHEBLN C=CCn1c(C)c(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c2ccccc21 ZINC000408817356 527292415 /nfs/dbraw/zinc/29/24/15/527292415.db2.gz NEPPSAFASXQPQU-XMHGGMMESA-N 0 2 385.423 3.802 40 30 GHEBLN O=C1NC(=O)N(c2ccccc2F)C(=O)C1=CNc1ccc(Cl)cc1Cl ZINC000408529707 231051857 /nfs/dbraw/zinc/05/18/57/231051857.db2.gz CYGZTSCCICXDJI-JTQLQIEISA-N 0 2 394.189 3.734 40 30 GHEBLN CCc1ccccc1NC(=O)CC1S/C(=N\c2nccs2)N(CC)C1=O ZINC000013116586 570421946 /nfs/dbraw/zinc/42/19/46/570421946.db2.gz JQORUSSEOMDZBX-DLFJBECYSA-N 0 2 388.518 3.686 40 30 GHEBLN CCc1ccccc1NC(=O)C[C@@H]1S/C(=N\c2nccs2)N(CC)C1=O ZINC000013116586 570421949 /nfs/dbraw/zinc/42/19/49/570421949.db2.gz JQORUSSEOMDZBX-DLFJBECYSA-N 0 2 388.518 3.686 40 30 GHEBLN O=[N+]([O-])c1ccc(Oc2ccc(Br)cc2/C=N/O)c([N+](=O)[O-])c1 ZINC000013747825 570863944 /nfs/dbraw/zinc/86/39/44/570863944.db2.gz JCWAIKMUGIQHNH-VIZOYTHASA-N 0 2 382.126 3.866 40 30 GHEBLN Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)[nH]c2SC[C@@H]2CO2)cc1 ZINC000006407160 212070048 /nfs/dbraw/zinc/07/00/48/212070048.db2.gz ATLBKUQMCNLOPD-HNNXBMFYSA-N 0 2 386.498 3.709 40 30 GHEBLN Cc1ccc(S(=O)(=O)c2[nH]c(-c3ccccc3)nc2SC[C@@H]2CO2)cc1 ZINC000006407160 212070051 /nfs/dbraw/zinc/07/00/51/212070051.db2.gz ATLBKUQMCNLOPD-HNNXBMFYSA-N 0 2 386.498 3.709 40 30 GHEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000408800226 526834472 /nfs/dbraw/zinc/83/44/72/526834472.db2.gz NZJULOZRPMTDNN-GZTJUZNOSA-N 0 2 382.803 3.571 40 30 GHEBLN Cc1ccccc1NC=C1C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000408533088 231052787 /nfs/dbraw/zinc/05/27/87/231052787.db2.gz JKNTWNICKMAGOW-AWEZNQCLSA-N 0 2 389.333 3.615 40 30 GHEBLN Cc1cccc(NC=C2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c1 ZINC000408536395 231053776 /nfs/dbraw/zinc/05/37/76/231053776.db2.gz RFPMMBAAICSARC-OAHLLOKOSA-N 0 2 389.333 3.615 40 30 GHEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000408782027 526834091 /nfs/dbraw/zinc/83/40/91/526834091.db2.gz FJPHTPWRZMKLJG-SFQUDFHCSA-N 0 2 382.803 3.571 40 30 GHEBLN Cc1[nH]n(-c2ccccc2)c(=O)c1C(C)(C#N)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000247996181 870257831 /nfs/dbraw/zinc/25/78/31/870257831.db2.gz MKNWARFTXNRPCG-JHDGKUDLSA-N 0 2 399.454 3.594 40 30 GHEBLN CCCCCCCCNC(=O)C[C@@H]1SC(=NN=Cc2ccco2)NC1=O ZINC000100167950 520033613 /nfs/dbraw/zinc/03/36/13/520033613.db2.gz VAAXDQYYNVCKHE-NPRIEWAGSA-N 0 2 378.498 3.908 40 30 GHEBLN CCCCCCCCNC(=O)CC1SC(=NN=Cc2ccco2)NC1=O ZINC000100167950 520033622 /nfs/dbraw/zinc/03/36/22/520033622.db2.gz VAAXDQYYNVCKHE-NPRIEWAGSA-N 0 2 378.498 3.908 40 30 GHEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1Cl ZINC000408805140 526834402 /nfs/dbraw/zinc/83/44/02/526834402.db2.gz ISWZRBBSPOVFGN-LFIBNONCSA-N 0 2 396.830 3.880 40 30 GHEBLN CCOc1ccc(N=C2NC(=O)/C(=C/c3ccc(O)c([N+](=O)[O-])c3)S2)cc1 ZINC000408904404 528483883 /nfs/dbraw/zinc/48/38/83/528483883.db2.gz IZQZKCQOUPWYGB-YBEGLDIGSA-N 0 2 385.401 3.591 40 30 GHEBLN Cc1ccc(N2C(=O)NC(=O)C(=CNc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000408535713 231054315 /nfs/dbraw/zinc/05/43/15/231054315.db2.gz ONDYVVDHYHZWMF-HNNXBMFYSA-N 0 2 389.333 3.615 40 30 GHEBLN CC[C@H](C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)[C@](C)(O)[C@H](OC(C)=O)C2CO1 ZINC000033985684 523820992 /nfs/dbraw/zinc/82/09/92/523820992.db2.gz MMOJJYPBNVVCGY-CTQGMABPSA-N 0 2 394.895 3.824 40 30 biogenic,in-vitro GHEBLN CC[C@H](C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)[C@](C)(O)[C@H](OC(C)=O)[C@H]2CO1 ZINC000033985684 523821025 /nfs/dbraw/zinc/82/10/25/523821025.db2.gz MMOJJYPBNVVCGY-CTQGMABPSA-N 0 2 394.895 3.824 40 30 biogenic,in-vitro GHEBLN C=CCOc1c(Cl)cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1OCC ZINC000409316127 526823593 /nfs/dbraw/zinc/82/35/93/526823593.db2.gz PFZBNZRTNQQUTG-WAYWQWQTSA-N 0 2 393.783 3.583 40 30 GHEBLN CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2O)ccc1O ZINC000136296446 570496413 /nfs/dbraw/zinc/49/64/13/570496413.db2.gz RTNQICFWOLIDQP-FOCIWHPXSA-N 0 2 375.475 3.623 40 30 GHEBLN Cc1cccc(N2C(=O)NC(=O)C(=CNc3cc(Cl)cc(Cl)c3)C2=O)c1 ZINC000408531011 231051200 /nfs/dbraw/zinc/05/12/00/231051200.db2.gz GHFQNEQKVSOMGA-OAHLLOKOSA-N 0 2 390.226 3.903 40 30 GHEBLN O=[N+]([O-])c1ccc(Oc2ccc(/C=N/c3ccc([N+](=O)[O-])cc3O)cc2O)nc1 ZINC000009262180 527374232 /nfs/dbraw/zinc/37/42/32/527374232.db2.gz KQOLIBZQOSNHJP-DJKKODMXSA-N 0 2 396.315 3.852 40 30 GHEBLN CCc1ccccc1NC(=O)C(C#N)=C1C(=O)c2ccccc2C(O)=C1Cl ZINC000001614117 570266099 /nfs/dbraw/zinc/26/60/99/570266099.db2.gz IIRZPOIKPRSNPL-OAHLLOKOSA-N 0 2 378.815 3.899 40 30 GHEBLN Cc1cccc(C)c1NC(=O)C(C#N)=C1C(=O)c2ccccc2C(O)=C1Cl ZINC000006491273 570481641 /nfs/dbraw/zinc/48/16/41/570481641.db2.gz GMGMKZMQQOCXPX-HNNXBMFYSA-N 0 2 378.815 3.954 40 30 GHEBLN O=C1NC(=O)N(c2ccccc2F)C(=O)C1=CNc1ccc(Cl)cc1Cl ZINC000408529711 231051659 /nfs/dbraw/zinc/05/16/59/231051659.db2.gz CYGZTSCCICXDJI-SNVBAGLBSA-N 0 2 394.189 3.734 40 30 GHEBLN Cc1ccc(S(=O)(=O)N/N=C(C(=N\O)/c2ccccc2)\c2ccccc2)cc1 ZINC000016927766 525514780 /nfs/dbraw/zinc/51/47/80/525514780.db2.gz QESFTDWENQWUBL-JKZRTEGISA-N 0 2 393.468 3.556 40 30 GHEBLN CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2O)ccc1OC ZINC000137420839 570499935 /nfs/dbraw/zinc/49/99/35/570499935.db2.gz JRTFWMKBZAANPC-LIJALFLSSA-N 0 2 389.502 3.926 40 30 GHEBLN Cc1cccc(N2C(=O)NC(=O)C(=CNc3cc(Cl)cc(Cl)c3)C2=O)c1 ZINC000408531009 231051271 /nfs/dbraw/zinc/05/12/71/231051271.db2.gz GHFQNEQKVSOMGA-HNNXBMFYSA-N 0 2 390.226 3.903 40 30 GHEBLN CCc1ccccc1NC(=O)C(C#N)=C1C(=O)c2ccccc2C(O)=C1Cl ZINC000006371726 521897647 /nfs/dbraw/zinc/89/76/47/521897647.db2.gz IIRZPOIKPRSNPL-HNNXBMFYSA-N 0 2 378.815 3.899 40 30 GHEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc1 ZINC000408799704 526834392 /nfs/dbraw/zinc/83/43/92/526834392.db2.gz HRWWCNHJWGYJES-QGOAFFKASA-N 0 2 376.412 3.535 40 30 GHEBLN CC(=[NH+]Nc1nnc(SCC(=O)NC(C)(C)C)[n-]1)c1ccc2ccccc2c1 ZINC000020159848 570245139 /nfs/dbraw/zinc/24/51/39/570245139.db2.gz UXDRUOFYCRPACE-YDZHTSKRSA-N 0 2 396.520 3.801 40 30 GHEBLN O=C(CC1S/C(=N/c2ccccc2)N(C2CC2)C1=O)Nc1ccccc1F ZINC000003589518 209229624 /nfs/dbraw/zinc/22/96/24/209229624.db2.gz UFASEKIARGLUCE-XGIGFIBQSA-N 0 2 383.448 3.948 40 30 GHEBLN O=C(C[C@@H]1S/C(=N/c2ccccc2)N(C2CC2)C1=O)Nc1ccccc1F ZINC000003589518 209229630 /nfs/dbraw/zinc/22/96/30/209229630.db2.gz UFASEKIARGLUCE-XGIGFIBQSA-N 0 2 383.448 3.948 40 30 GHEBLN CCOC(=O)C(=O)C(N=Nc1ccccc1C(F)(F)F)C(=O)c1cccs1 ZINC000002557524 520402254 /nfs/dbraw/zinc/40/22/54/520402254.db2.gz MWQXPTFNZGVZCU-LPYMAVHISA-N 0 2 398.362 3.550 40 30 GHEBLN C=CCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000408935175 570686803 /nfs/dbraw/zinc/68/68/03/570686803.db2.gz HDUZGFOSPQYTRM-ATVHPVEESA-N 0 2 382.803 3.571 40 30 GHEBLN O=C1ON=C(c2ccc(Cl)cc2Cl)/C1=C/c1cccc([N+](=O)[O-])c1O ZINC000012428430 859300604 /nfs/dbraw/zinc/30/06/04/859300604.db2.gz YWLKJCMBHKPBSF-WDZFZDKYSA-N 0 2 379.155 3.952 40 30 GHEBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(Cl)cc1 ZINC000408534046 231052092 /nfs/dbraw/zinc/05/20/92/231052092.db2.gz KXNXCRIBVVCMTL-CQSZACIVSA-N 0 2 376.199 3.595 40 30 GHEBLN Cc1cccc(N2C(=O)NC(=O)C(=CNc3ccc(Cl)cc3Cl)C2=O)c1 ZINC000408531861 231052991 /nfs/dbraw/zinc/05/29/91/231052991.db2.gz HJUFOEONLQZCDG-ZDUSSCGKSA-N 0 2 390.226 3.903 40 30 GHEBLN O=[N+]([O-])c1ccc(O)c(/C=N/CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000019202146 210229216 /nfs/dbraw/zinc/22/92/16/210229216.db2.gz YRSQJYOYYVWLMC-AWQFTUOYSA-N 0 2 398.297 3.758 40 30 GHEBLN COc1cc(/N=C/c2cccc([N+](=O)[O-])c2O)ccc1NC(=O)c1ccco1 ZINC000008206958 570523905 /nfs/dbraw/zinc/52/39/05/570523905.db2.gz QDDSZOIMEBQMDO-RGVLZGJSSA-N 0 2 381.344 3.905 40 30 GHEBLN O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 ZINC000409305907 231189054 /nfs/dbraw/zinc/18/90/54/231189054.db2.gz OPQVQZXJTMUHPZ-UHFFFAOYSA-N 0 2 392.415 3.940 40 30 GHEBLN Cc1ccccc1N1C(=O)NC(=O)C(=CNc2cccc(C(F)(F)F)c2)C1=O ZINC000408537497 534821447 /nfs/dbraw/zinc/82/14/47/534821447.db2.gz VSLPQTJLUBAFGE-AWEZNQCLSA-N 0 2 389.333 3.615 40 30 GHEBLN CCN1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC1=Nc1ccc(OC)cc1 ZINC000408965276 528943149 /nfs/dbraw/zinc/94/31/49/528943149.db2.gz VEYHCOPZKSVAIZ-JWZKOSBISA-N 0 2 399.428 3.933 40 30 GHEBLN C=CCSc1nnc(NS(=O)(=O)c2ccc3cc(OC)ccc3c2)s1 ZINC000225841026 570457797 /nfs/dbraw/zinc/45/77/97/570457797.db2.gz ZNVANIKPLOHVPE-UHFFFAOYSA-N 0 2 393.515 3.779 40 30 GHEBLN C=CCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1 ZINC000408937019 570687450 /nfs/dbraw/zinc/68/74/50/570687450.db2.gz MAIYFZXIWOAOOO-BOPFTXTBSA-N 0 2 396.830 3.880 40 30 GHEBLN Cc1ccc(S(=O)(=O)N/N=C(C(=N/O)\c2ccccc2)/c2ccccc2)cc1 ZINC000016927762 525514408 /nfs/dbraw/zinc/51/44/08/525514408.db2.gz QESFTDWENQWUBL-YEUCEMRASA-N 0 2 393.468 3.556 40 30 GHEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1Cl ZINC000408801009 526833758 /nfs/dbraw/zinc/83/37/58/526833758.db2.gz RBQMAIKTRLPFBZ-LFIBNONCSA-N 0 2 396.830 3.880 40 30 GHEBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccccc1Cl ZINC000408533693 231052880 /nfs/dbraw/zinc/05/28/80/231052880.db2.gz KMUHNBNGXXGXAS-GFCCVEGCSA-N 0 2 376.199 3.595 40 30 GHEBLN COc1cc(-c2c(C#N)c(N)nc(C)c2-c2ccccc2)cc([N+](=O)[O-])c1O ZINC000408980239 231140906 /nfs/dbraw/zinc/14/09/06/231140906.db2.gz QATUNEDNCDWTSY-UHFFFAOYSA-N 0 2 376.372 3.631 40 30 GHEBLN O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1cccc([N+](=O)[O-])c1O ZINC000409277810 231188663 /nfs/dbraw/zinc/18/86/63/231188663.db2.gz CFAOFCDNVRIMOQ-UHFFFAOYSA-N 0 2 392.415 3.940 40 30 GHEBLN N#Cc1c(=O)[nH]c(-c2ccc(F)cc2)cc1C(=O)NOCCCc1ccccc1 ZINC000008655371 221048950 /nfs/dbraw/zinc/04/89/50/221048950.db2.gz AZEFTKNREYHUFU-UHFFFAOYSA-N 0 2 391.402 3.759 40 30 GHEBLN C=CCSc1nnc(NS(=O)(=O)c2ccc(OC)c(C(C)C)c2)s1 ZINC000223373249 570248618 /nfs/dbraw/zinc/24/86/18/570248618.db2.gz MGBPWFWXEDUPTN-UHFFFAOYSA-N 0 2 385.536 3.749 40 30 GHEBLN Cc1[nH]n(-c2ccccc2)c(=O)c1C(C)(C#N)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000100989741 570280212 /nfs/dbraw/zinc/28/02/12/570280212.db2.gz MKNWARFTXNRPCG-WOJBJXKFSA-N 0 2 399.454 3.594 40 30 GHEBLN CCc1nnc(C2=C(O)C(=Cc3ccc(Br)o3)SC2=N)s1 ZINC000137161141 570498116 /nfs/dbraw/zinc/49/81/16/570498116.db2.gz GKVRPPQPRBYEOK-XHUYASQHSA-N 0 2 384.280 3.874 40 30 GHEBLN CCOc1ccc(C=C2SC(=N)C(c3nnc(CC)s3)=C2O)cc1OC ZINC000139017428 856625776 /nfs/dbraw/zinc/62/57/76/856625776.db2.gz ZEHADVGSNRINOB-LIJALFLSSA-N 0 2 389.502 3.926 40 30 GHEBLN Cc1ccccc1NC=C1C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000408533098 231052764 /nfs/dbraw/zinc/05/27/64/231052764.db2.gz JKNTWNICKMAGOW-CQSZACIVSA-N 0 2 389.333 3.615 40 30 GHEBLN Cc1cccc(NC=C2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c1 ZINC000408536393 231053734 /nfs/dbraw/zinc/05/37/34/231053734.db2.gz RFPMMBAAICSARC-HNNXBMFYSA-N 0 2 389.333 3.615 40 30 GHEBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1cccc(Cl)c1 ZINC000408536858 231053979 /nfs/dbraw/zinc/05/39/79/231053979.db2.gz SULSXYLZZQYNNE-AWEZNQCLSA-N 0 2 376.199 3.595 40 30 GHEBLN CCc1nnc(C2=C(O)C(=Cc3cc(OC)ccc3OC)SC2=N)s1 ZINC000033651391 856605479 /nfs/dbraw/zinc/60/54/79/856605479.db2.gz WDJLCCIWOLHHIW-HFENLWAASA-N 0 2 375.475 3.536 40 30 GHEBLN Cc1ccc(N2C(=O)NC(=O)C(=CNc3cc(Cl)cc(Cl)c3)C2=O)cc1 ZINC000408536667 231053653 /nfs/dbraw/zinc/05/36/53/231053653.db2.gz SKTSXFUTUMSZTJ-HNNXBMFYSA-N 0 2 390.226 3.903 40 30 GHEBLN O=C1NC(=O)N(c2ccccc2F)C(=O)C1=CNc1cc(Cl)cc(Cl)c1 ZINC000408535705 231053715 /nfs/dbraw/zinc/05/37/15/231053715.db2.gz OMRVFQCPTWOEMT-LBPRGKRZSA-N 0 2 394.189 3.734 40 30 GHEBLN C=CCOc1cccc(/C=C2/C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)c1 ZINC000408938663 526896031 /nfs/dbraw/zinc/89/60/31/526896031.db2.gz QWYRQSNGGDUKAD-AQTBWJFISA-N 0 2 376.412 3.535 40 30 GHEBLN O=[N+]([O-])c1ccc(O)c(/C=N/NC(=S)Nc2cccc(C(F)(F)F)c2)c1 ZINC000020933445 527368766 /nfs/dbraw/zinc/36/87/66/527368766.db2.gz SVMQBTZWNMVEQM-UFWORHAWSA-N 0 2 384.339 3.640 40 30 GHEBLN O=C(CSc1nnc(N=[NH+]C2CCCC2)[n-]1)Nc1ccc(F)c(Cl)c1 ZINC000020436171 527049237 /nfs/dbraw/zinc/04/92/37/527049237.db2.gz CZMUMGUOUSMSNM-UHFFFAOYSA-N 0 2 382.852 3.670 40 30 GHEBLN COc1ccc(C(=O)C[C@@H]2SC(=NN=CC=Cc3ccccc3)NC2=O)cc1 ZINC000006584085 570670843 /nfs/dbraw/zinc/67/08/43/570670843.db2.gz WGHQVJLGEANENY-FXFHUEOHSA-N 0 2 393.468 3.555 40 30 GHEBLN COc1ccc(C(=O)CC2SC(=NN=CC=Cc3ccccc3)NC2=O)cc1 ZINC000006584085 570670846 /nfs/dbraw/zinc/67/08/46/570670846.db2.gz WGHQVJLGEANENY-FXFHUEOHSA-N 0 2 393.468 3.555 40 30 GHEBLN CCOc1ccccc1NC(=O)CC1S/C(=N/c2ccc(C)cc2)N(C)C1=O ZINC000102929235 521533527 /nfs/dbraw/zinc/53/35/27/521533527.db2.gz ORVRYNCTXSHHHX-VEGAHXMMSA-N 0 2 397.500 3.984 40 30 GHEBLN COc1ccc(C(=O)C[C@H]2SC(=NN=CC=Cc3ccccc3)NC2=O)cc1 ZINC000006584078 570670933 /nfs/dbraw/zinc/67/09/33/570670933.db2.gz WGHQVJLGEANENY-IYVSFDRISA-N 0 2 393.468 3.555 40 30 GHEBLN COc1ccc(C(=O)CC2SC(=NN=CC=Cc3ccccc3)NC2=O)cc1 ZINC000006584078 570670936 /nfs/dbraw/zinc/67/09/36/570670936.db2.gz WGHQVJLGEANENY-IYVSFDRISA-N 0 2 393.468 3.555 40 30 GHEBLN N#CCc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1 ZINC000013678540 570772702 /nfs/dbraw/zinc/77/27/02/570772702.db2.gz UBOVOTUXHUNIJA-UHFFFAOYSA-N 0 2 397.481 3.867 40 30 GHEBLN CCc1nnc(C2=C(O)C(=Cc3ccc(OC)cc3OC)SC2=N)s1 ZINC000107702534 856619644 /nfs/dbraw/zinc/61/96/44/856619644.db2.gz PIBSOWQVCVKPFK-OXPJSJFTSA-N 0 2 375.475 3.536 40 30 GHEBLN CCOc1ccccc1NC(=O)CC1S/C(=N/c2ccc(C)cc2)N(C)C1=O ZINC000102929232 521532650 /nfs/dbraw/zinc/53/26/50/521532650.db2.gz ORVRYNCTXSHHHX-KHOFPDMRSA-N 0 2 397.500 3.984 40 30 GHEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000408810918 526833426 /nfs/dbraw/zinc/83/34/26/526833426.db2.gz JTRMIAWMHXWCAG-CPNJWEJPSA-N 0 2 376.412 3.535 40 30 GHEBLN O=C(C[C@H]1SC(=NN=CC=Cc2ccccc2)NC1=O)c1ccc(F)cc1 ZINC000016754354 527184416 /nfs/dbraw/zinc/18/44/16/527184416.db2.gz SEPSKUAIUAJEKI-DFMHBSKISA-N 0 2 381.432 3.685 40 30 GHEBLN O=C(CC1SC(=NN=CC=Cc2ccccc2)NC1=O)c1ccc(F)cc1 ZINC000016754354 527184426 /nfs/dbraw/zinc/18/44/26/527184426.db2.gz SEPSKUAIUAJEKI-DFMHBSKISA-N 0 2 381.432 3.685 40 30 GHEBLN CCN1C2=C(C(=O)CCC2)C(c2ccc(O)c([N+](=O)[O-])c2)C2=C1CCCC2=O ZINC000409037434 528956759 /nfs/dbraw/zinc/95/67/59/528956759.db2.gz CJZZUQWKNCPQQX-UHFFFAOYSA-N 0 2 382.416 3.734 40 30 GHEBLN O=[N+]([O-])c1ccc(O)c(/C=N/NC(=S)Nc2ccccc2C(F)(F)F)c1 ZINC000006299667 570480392 /nfs/dbraw/zinc/48/03/92/570480392.db2.gz PBKASPZRBGZBPY-UFWORHAWSA-N 0 2 384.339 3.640 40 30 GHEBLN Cc1cc(/N=C\c2cc([N+](=O)[O-])ccc2O)ccc1I ZINC000409107622 231162540 /nfs/dbraw/zinc/16/25/40/231162540.db2.gz SEAARORPYBIALP-PXNMLYILSA-N 0 2 382.157 3.964 40 30 GHEBLN C=CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000408796636 526922066 /nfs/dbraw/zinc/92/20/66/526922066.db2.gz BEJFUVSMXHUBLF-QGOAFFKASA-N 0 2 376.412 3.535 40 30 GHEBLN O=[N+]([O-])c1cccc(/C=N/c2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 ZINC000101670109 527384951 /nfs/dbraw/zinc/38/49/51/527384951.db2.gz RUQGTVCDEDASEJ-WOJGMQOQSA-N 0 2 388.430 3.603 40 30 GHEBLN Cc1ccccc1N1C(=O)NC(=O)C(=CNc2ccccc2C(F)(F)F)C1=O ZINC000408536437 534821490 /nfs/dbraw/zinc/82/14/90/534821490.db2.gz RIZMKZOJHXZUCQ-LBPRGKRZSA-N 0 2 389.333 3.615 40 30 GHEBLN C=CCOc1cccc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c1 ZINC000408935105 570686785 /nfs/dbraw/zinc/68/67/85/570686785.db2.gz GSGHTXGVRSAAMA-VBKFSLOCSA-N 0 2 396.830 3.880 40 30 GHEBLN CCCC/N=C1/SC(CC(=O)Nc2cccc(OC)c2)C(=O)N1CCCC ZINC000100918858 519887042 /nfs/dbraw/zinc/88/70/42/519887042.db2.gz JUMQOMBRFKELOX-UAFUQJIBSA-N 0 2 391.537 3.924 40 30 GHEBLN CCCC/N=C1/S[C@@H](CC(=O)Nc2cccc(OC)c2)C(=O)N1CCCC ZINC000100918858 519887045 /nfs/dbraw/zinc/88/70/45/519887045.db2.gz JUMQOMBRFKELOX-UAFUQJIBSA-N 0 2 391.537 3.924 40 30 GHEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC ZINC000408779569 527227202 /nfs/dbraw/zinc/22/72/02/527227202.db2.gz YPYGEDZYYRVFRN-SFQUDFHCSA-N 0 2 396.830 3.744 40 30 GHEBLN CN(C)c1ccc(N=C2S/C(=C\c3ccc(O)c([N+](=O)[O-])c3)C(=O)N2C)cc1 ZINC000408961168 529783180 /nfs/dbraw/zinc/78/31/80/529783180.db2.gz BBBHUZBDAWDCDF-JWZKOSBISA-N 0 2 398.444 3.600 40 30 GHEBLN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc([N+](=O)[O-])ccc3O)S2)cc1 ZINC000408950858 528483872 /nfs/dbraw/zinc/48/38/72/528483872.db2.gz GPRMEVNRLKBVSH-MHWRWJLKSA-N 0 2 385.401 3.591 40 30 GHEBLN CCCC/N=C1\SC(CC(=O)Nc2ccc(OC)cc2)C(=O)N1CCCC ZINC000100918862 570279154 /nfs/dbraw/zinc/27/91/54/570279154.db2.gz MSSPDEHKDPSLJC-UNEBPCJRSA-N 0 2 391.537 3.924 40 30 GHEBLN CCCC/N=C1\S[C@@H](CC(=O)Nc2ccc(OC)cc2)C(=O)N1CCCC ZINC000100918862 570279161 /nfs/dbraw/zinc/27/91/61/570279161.db2.gz MSSPDEHKDPSLJC-UNEBPCJRSA-N 0 2 391.537 3.924 40 30 GHEBLN O=C1NC(=O)N(c2ccccc2F)C(=O)C1=CNc1cccc2ccccc21 ZINC000408533635 231052418 /nfs/dbraw/zinc/05/24/18/231052418.db2.gz KJGRIKYNSJHQRS-OAHLLOKOSA-N 0 2 375.359 3.580 40 30 GHEBLN O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1cc([N+](=O)[O-])ccc1O ZINC000409406929 231202033 /nfs/dbraw/zinc/20/20/33/231202033.db2.gz RRXCTYBDVNLTSG-UHFFFAOYSA-N 0 2 386.367 3.560 40 30 GHEBLN CCCC/N=C1/SC(CC(=O)Nc2cccc(OC)c2)C(=O)N1CCCC ZINC000100918861 519886927 /nfs/dbraw/zinc/88/69/27/519886927.db2.gz JUMQOMBRFKELOX-SGRLSNSRSA-N 0 2 391.537 3.924 40 30 GHEBLN CCCC/N=C1/S[C@H](CC(=O)Nc2cccc(OC)c2)C(=O)N1CCCC ZINC000100918861 519886930 /nfs/dbraw/zinc/88/69/30/519886930.db2.gz JUMQOMBRFKELOX-SGRLSNSRSA-N 0 2 391.537 3.924 40 30 GHEBLN C=CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000408988055 526833236 /nfs/dbraw/zinc/83/32/36/526833236.db2.gz QFFAJGVCLXYZCE-BOPFTXTBSA-N 0 2 396.830 3.880 40 30 GHEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1 ZINC000408812902 526833624 /nfs/dbraw/zinc/83/36/24/526833624.db2.gz XMRPFBFAIUAFCP-FOWTUZBSSA-N 0 2 396.830 3.880 40 30 GHEBLN C=CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2C)C1=O ZINC000408801080 526922523 /nfs/dbraw/zinc/92/25/23/526922523.db2.gz SMODKZTYKZQBFH-GHRIWEEISA-N 0 2 376.412 3.535 40 30 GHEBLN Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=[NH+]Nc1cccc(C(=O)[O-])c1 ZINC000006673820 570280400 /nfs/dbraw/zinc/28/04/00/570280400.db2.gz QEILMBMZDAXUML-HZHRSRAPSA-N 0 2 389.459 3.925 40 30 GHEBLN C=CCOc1cccc(/C=C2/C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)c1 ZINC000408933469 570686256 /nfs/dbraw/zinc/68/62/56/570686256.db2.gz ADTWUTYBFLWENS-BOPFTXTBSA-N 0 2 396.830 3.880 40 30 GHEBLN Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000408537315 231054581 /nfs/dbraw/zinc/05/45/81/231054581.db2.gz VERRTUFKLWUXLJ-CYBMUJFWSA-N 0 2 390.226 3.903 40 30 GHEBLN CCCCOc1ccc(C2=NOC(=O)/C2=C\c2cccc([N+](=O)[O-])c2O)cc1 ZINC000100245449 520873511 /nfs/dbraw/zinc/87/35/11/520873511.db2.gz NPDNREXJGARUMP-VBKFSLOCSA-N 0 2 382.372 3.824 40 30 biogenic,in-vitro GHEBLN Cc1ccccc1N1C(=O)NC(=O)C(=CNc2cccc(C(F)(F)F)c2)C1=O ZINC000408537499 534821775 /nfs/dbraw/zinc/82/17/75/534821775.db2.gz VSLPQTJLUBAFGE-CQSZACIVSA-N 0 2 389.333 3.615 40 30 GHEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1 ZINC000408799686 526833732 /nfs/dbraw/zinc/83/37/32/526833732.db2.gz HLIKVSXFXAPDAA-GZTJUZNOSA-N 0 2 396.830 3.880 40 30 GHEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc1 ZINC000408801605 526833788 /nfs/dbraw/zinc/83/37/88/526833788.db2.gz UVOTVPAXKQRMKA-QGOAFFKASA-N 0 2 376.412 3.535 40 30 GHEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1Cl ZINC000408803533 526834380 /nfs/dbraw/zinc/83/43/80/526834380.db2.gz QDXUFARBAZCGDQ-RVDMUPIBSA-N 0 2 382.803 3.571 40 30 GHEBLN C=CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O ZINC000408812630 526921867 /nfs/dbraw/zinc/92/18/67/526921867.db2.gz SVFIWDIDOIKRLS-WYMLVPIESA-N 0 2 382.803 3.571 40 30 GHEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OC ZINC000408845467 527228274 /nfs/dbraw/zinc/22/82/74/527228274.db2.gz NGSVTIAUGCOCOS-CPNJWEJPSA-N 0 2 390.439 3.707 40 30 GHEBLN CCCC/N=C1\SC(CC(=O)Nc2cccc(OC)c2)C(=O)N1CCCC ZINC000012173272 570619537 /nfs/dbraw/zinc/61/95/37/570619537.db2.gz JUMQOMBRFKELOX-UNEBPCJRSA-N 0 2 391.537 3.924 40 30 GHEBLN CCCC/N=C1\S[C@@H](CC(=O)Nc2cccc(OC)c2)C(=O)N1CCCC ZINC000012173272 570619542 /nfs/dbraw/zinc/61/95/42/570619542.db2.gz JUMQOMBRFKELOX-UNEBPCJRSA-N 0 2 391.537 3.924 40 30 GHEBLN O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 ZINC000409401547 231201382 /nfs/dbraw/zinc/20/13/82/231201382.db2.gz BESUZSOBNMNFIW-UHFFFAOYSA-N 0 2 386.367 3.560 40 30 GHEBLN Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000408973913 534803429 /nfs/dbraw/zinc/80/34/29/534803429.db2.gz CPJOFPVHYSVASG-VXLYETTFSA-N 0 2 381.348 3.762 40 30 GHEBLN C=CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2cc(C)ccc2C)C1=O ZINC000408798529 526922123 /nfs/dbraw/zinc/92/21/23/526922123.db2.gz FWZZQCBIFKBKBV-GHRIWEEISA-N 0 2 376.412 3.535 40 30 GHEBLN N#C[C@@H](C(=O)CCC(=O)NCCc1ccccc1)c1nc2ccccc2s1 ZINC000001613961 570266007 /nfs/dbraw/zinc/26/60/07/570266007.db2.gz DDILFQVJQVUPOH-INIZCTEOSA-N 0 2 377.469 3.612 40 30 GHEBLN CCc1nnc(C2=C(O)C(=Cc3cccc(OC)c3OC)SC2=N)s1 ZINC000137919116 856625197 /nfs/dbraw/zinc/62/51/97/856625197.db2.gz AKVYOUWUIJKLCF-LELCBPDQSA-N 0 2 375.475 3.536 40 30 GHEBLN O=C1NC(=O)N(c2ccccc2F)C(=O)C1=CNc1cccc2ccccc21 ZINC000408533628 231053089 /nfs/dbraw/zinc/05/30/89/231053089.db2.gz KJGRIKYNSJHQRS-HNNXBMFYSA-N 0 2 375.359 3.580 40 30 GHEBLN Cc1cc(I)ccc1/N=C\c1ccc(O)c([N+](=O)[O-])c1 ZINC000408905090 231128440 /nfs/dbraw/zinc/12/84/40/231128440.db2.gz SWHUFBGKUZZJDD-PXNMLYILSA-N 0 2 382.157 3.964 40 30 GHEBLN C=CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O ZINC000408815663 526892523 /nfs/dbraw/zinc/89/25/23/526892523.db2.gz SXCRMIBMXBUMIP-FOWTUZBSSA-N 0 2 396.830 3.880 40 30 GHEBLN CCOc1ccc(C=NNc2nnc(SCc3nc4ccccc4[nH]3)[nH]2)cc1 ZINC000009695134 570560814 /nfs/dbraw/zinc/56/08/14/570560814.db2.gz PCDTVHJPTWRDOC-RGVLZGJSSA-N 0 2 393.476 3.818 40 30 GHEBLN