smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCn1c2cc(N=Cc3c(C)[nH]n(-c4ccc(C)cc4)c3=O)c([N+](=O)[O-])cc2n(CC)c1=O ZINC000408529315 555723032 /nfs/dbraw/zinc/72/30/32/555723032.db2.gz HLNYZJKCMNTYOK-LGMDPLHJSA-N 0 1 448.483 3.778 40 10 IHCBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1OCc1ccccc1F ZINC000408692598 556095881 /nfs/dbraw/zinc/09/58/81/556095881.db2.gz QJAQTIXCKZRYFX-LDADJPATSA-N 0 1 438.455 3.818 40 10 IHCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408694232 556096236 /nfs/dbraw/zinc/09/62/36/556096236.db2.gz GSWDZEOKRCJZPB-CPNJWEJPSA-N 0 1 435.436 3.578 40 10 IHCBMN COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4)o3)C(=O)NC2=S)c(OC)c1 ZINC000009263189 556270104 /nfs/dbraw/zinc/27/01/04/556270104.db2.gz GFAYHUIHGUFJGD-ATVHPVEESA-N 0 1 434.473 3.795 40 10 IHCBMN CC[C@@H](C)Oc1c(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cccc1OC ZINC000015013703 556484552 /nfs/dbraw/zinc/48/45/52/556484552.db2.gz HLQNMBMTHNTABU-KAECEXQPSA-N 0 1 428.485 3.843 40 10 IHCBMN O=C(Oc1ccc2ccccc2c1C=C1C(=O)NC(=O)NC1=O)c1cccc2ccccc21 ZINC000408757861 556587402 /nfs/dbraw/zinc/58/74/02/556587402.db2.gz DLPVHFZYFKKYSI-UHFFFAOYSA-N 0 1 436.423 3.962 40 10 IHCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)ccc1O ZINC000408851161 556870948 /nfs/dbraw/zinc/87/09/48/556870948.db2.gz VROTWGGOAVIPDQ-DHZHZOJOSA-N 0 1 437.304 3.929 40 10 IHCBMN CCc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(N(C)C)cc3)C(=O)NC2=S)cc1 ZINC000408952635 556898302 /nfs/dbraw/zinc/89/83/02/556898302.db2.gz MAQHBZFJSTZACS-CJLVFECKSA-N 0 1 444.560 3.937 40 10 IHCBMN CCOc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccn4)c3C)C(=O)NC2=S)c1 ZINC000409228767 557015600 /nfs/dbraw/zinc/01/56/00/557015600.db2.gz DUJLOQVBBYGQID-DEDYPNTBSA-N 0 1 446.532 3.719 40 10 IHCBMN COc1cccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1OC ZINC000409243780 557033451 /nfs/dbraw/zinc/03/34/51/557033451.db2.gz YMHFZINHTSGKHW-NTEUORMPSA-N 0 1 436.411 3.554 40 10 IHCBMN COc1cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)cc(Cl)c1O ZINC000409348097 557076159 /nfs/dbraw/zinc/07/61/59/557076159.db2.gz RBBSDDBBQHEBCU-GHXNOFRVSA-N 0 1 426.928 3.662 40 10 IHCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3OC)C(=O)NC2=S)cc1 ZINC000409388740 557100139 /nfs/dbraw/zinc/10/01/39/557100139.db2.gz WOQCJYYFGVXHIX-XSFVSMFZSA-N 0 1 435.549 3.689 40 10 IHCBMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1c(-c2ccccc2)nc2sc(C3CC3)nn12 ZINC000041074167 569526319 /nfs/dbraw/zinc/52/63/19/569526319.db2.gz MCKOCRRTZFJMPT-GHRIWEEISA-N 0 1 427.489 3.797 40 10 IHCBMN Cc1nn(-c2ccc(C)c(C)c2)c(C)c1/C=C1\C(=O)NC(=O)N(CCc2ccccc2)C1=O ZINC000408757411 556250242 /nfs/dbraw/zinc/25/02/42/556250242.db2.gz MYKMHLZDEMGCEA-HZHRSRAPSA-N 0 1 442.519 3.810 40 10 IHCBMN COc1ccc(N2CCN(C(=O)C3CCN(Cc4ccc(Cl)cc4)CC3)CC2)cc1 ZINC000039761929 556436732 /nfs/dbraw/zinc/43/67/32/556436732.db2.gz VXISASIGNKZVKK-UHFFFAOYSA-N 0 1 427.976 3.909 40 10 IHCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000408779448 556853955 /nfs/dbraw/zinc/85/39/55/556853955.db2.gz FAJRKLLTXRDMTM-LDADJPATSA-N 0 1 446.444 3.613 40 10 IHCBMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000408816924 556863860 /nfs/dbraw/zinc/86/38/60/556863860.db2.gz SPMYEDKCZCZXCK-UHFFFAOYSA-N 0 1 435.263 3.721 40 10 IHCBMN CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1 ZINC000409098360 556954129 /nfs/dbraw/zinc/95/41/29/556954129.db2.gz PQYFMIFPKAEOFV-CRRKTRLDSA-N 0 1 440.521 3.712 40 10 IHCBMN COc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2F)C(=O)NC1=S ZINC000409174030 556984758 /nfs/dbraw/zinc/98/47/58/556984758.db2.gz QCFSXADOJUGMSP-GHRIWEEISA-N 0 1 439.512 3.656 40 10 IHCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(O)c(Cl)c1 ZINC000409247458 557028904 /nfs/dbraw/zinc/02/89/04/557028904.db2.gz HLOIMYXTELJVOL-WUXMJOGZSA-N 0 1 426.803 3.896 40 10 IHCBMN COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCc1ccccc1 ZINC000409373403 557089895 /nfs/dbraw/zinc/08/98/95/557089895.db2.gz RNRUYDWEWAJQHY-XDHOZWIPSA-N 0 1 432.432 3.529 40 10 IHCBMN CC(C)(C)n1cccc1/C=C1/C(=O)NC(=S)N(c2cccc(Br)c2)C1=O ZINC000101735951 557126227 /nfs/dbraw/zinc/12/62/27/557126227.db2.gz NJJLGPMGRDMERH-PTNGSMBKSA-N 0 1 432.343 3.837 40 10 IHCBMN C=CCOc1cc(Br)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OCC ZINC000034837968 569260080 /nfs/dbraw/zinc/26/00/80/569260080.db2.gz FQJWJHBOIZWACJ-WJDWOHSUSA-N 0 1 443.297 3.874 40 10 IHCBMN COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(C4CCCC4)C3=O)c2C)c1 ZINC000408692151 556094458 /nfs/dbraw/zinc/09/44/58/556094458.db2.gz FMMIKTRDCPTPFH-UDWIEESQSA-N 0 1 449.507 3.594 40 10 IHCBMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCc1ccc(C)c(C)c1 ZINC000408813400 556861273 /nfs/dbraw/zinc/86/12/73/556861273.db2.gz UEAYNKXERUSGKZ-UHFFFAOYSA-N 0 1 428.872 3.684 40 10 IHCBMN Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000408993284 556912687 /nfs/dbraw/zinc/91/26/87/556912687.db2.gz DBRLIJNZERCLTC-UHFFFAOYSA-N 0 1 433.439 3.562 40 10 IHCBMN CCN(CC)c1ccc(CN2CCc3c(=O)[nH]c(N4CCC(C)CC4)nc3C2)c(O)c1 ZINC000072347188 556918323 /nfs/dbraw/zinc/91/83/23/556918323.db2.gz DOOIACHGJBGUST-UHFFFAOYSA-N 0 1 425.577 3.529 40 10 IHCBMN COc1cc(Cl)c(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc1OC ZINC000409012048 556918414 /nfs/dbraw/zinc/91/84/14/556918414.db2.gz IPOIRBSQYPPAEY-OVCLIPMQSA-N 0 1 430.913 3.805 40 10 IHCBMN COc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc(C(C)=O)cc4)o3)C(=O)NC2=S)cc1 ZINC000409017494 556919424 /nfs/dbraw/zinc/91/94/24/556919424.db2.gz WYKABQGYWNGTRP-DEDYPNTBSA-N 0 1 446.484 3.989 40 10 IHCBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)C(=O)NC2=S)c1 ZINC000409020106 556924367 /nfs/dbraw/zinc/92/43/67/556924367.db2.gz LXKOUWYJNOSODN-DEDYPNTBSA-N 0 1 446.488 3.834 40 10 IHCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1C[C@H]1CCCO1 ZINC000409204749 557003067 /nfs/dbraw/zinc/00/30/67/557003067.db2.gz JYIMJDWFVLCEDH-BCVDLATCSA-N 0 1 437.565 3.732 40 10 IHCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(C)n1-c1cc(C)ccn1 ZINC000409249287 557029796 /nfs/dbraw/zinc/02/97/96/557029796.db2.gz KAZKBTKSIGKFGY-CPNJWEJPSA-N 0 1 430.533 3.937 40 10 IHCBMN O=C(NN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2Cl)SC1=S)c1cccs1 ZINC000409342058 557069607 /nfs/dbraw/zinc/06/96/07/557069607.db2.gz BGFCTGAMSNDPIE-GHXNOFRVSA-N 0 1 425.900 3.856 40 10 IHCBMN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OC(C)=O ZINC000409343024 557070667 /nfs/dbraw/zinc/07/06/67/557070667.db2.gz FSKFJKTYEWGPNM-MHWRWJLKSA-N 0 1 448.547 3.618 40 10 IHCBMN O=C1NN(c2ccccc2)C(=O)/C1=C1/c2ccccc2N(Cc2ccccc2Cl)C1=O ZINC000020523055 527083195 /nfs/dbraw/zinc/08/31/95/527083195.db2.gz DXCSVFJLCZBPEU-MRCUWXFGSA-N 0 1 429.863 3.718 40 10 IHCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 ZINC000408695298 556097433 /nfs/dbraw/zinc/09/74/33/556097433.db2.gz RIHTZLKEEZPFEJ-LDADJPATSA-N 0 1 435.436 3.578 40 10 IHCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000408741740 556215318 /nfs/dbraw/zinc/21/53/18/556215318.db2.gz RUOFQZFLHRRYGB-PXLXIMEGSA-N 0 1 444.560 3.991 40 10 IHCBMN COc1cccc([C@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)c1O ZINC000101065896 556653243 /nfs/dbraw/zinc/65/32/43/556653243.db2.gz SYPBHEQVTDEXFB-ONTIZHBOSA-N 0 1 434.423 3.591 40 10 IHCBMN CN(C)c1ccc([C@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000096295543 556759701 /nfs/dbraw/zinc/75/97/01/556759701.db2.gz SIFVCQCQAKWGQN-VABKMULXSA-N 0 1 431.467 3.943 40 10 IHCBMN CN(C)c1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000096295543 556759702 /nfs/dbraw/zinc/75/97/02/556759702.db2.gz SIFVCQCQAKWGQN-VABKMULXSA-N 0 1 431.467 3.943 40 10 IHCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc2c(c1)OCCO2 ZINC000408853185 556870088 /nfs/dbraw/zinc/87/00/88/556870088.db2.gz ZIWQFAPPUQJRNK-DHZHZOJOSA-N 0 1 435.288 3.596 40 10 IHCBMN CCCOc1c(Cl)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1OC ZINC000408869838 556872961 /nfs/dbraw/zinc/87/29/61/556872961.db2.gz UGSFPVRCCYOOMQ-GDNBJRDFSA-N 0 1 430.913 3.969 40 10 IHCBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3cccn3-c3ccc(N(C)C)cc3)C(=O)NC2=S)c1 ZINC000408949508 556897732 /nfs/dbraw/zinc/89/77/32/556897732.db2.gz BHTTZESFMDNKJD-PXLXIMEGSA-N 0 1 444.560 3.991 40 10 IHCBMN COc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000408954394 556898971 /nfs/dbraw/zinc/89/89/71/556898971.db2.gz SVJGUPQUAXATHO-CPNJWEJPSA-N 0 1 437.908 3.971 40 10 IHCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Br)c3)C(=O)NC2=S)c(C)c1 ZINC000409123391 556962230 /nfs/dbraw/zinc/96/22/30/556962230.db2.gz GBTPZUWVHFSQGK-MDWZMJQESA-N 0 1 431.311 3.603 40 10 IHCBMN Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)C(=O)NC2=S)c(C)c1 ZINC000409134478 556968653 /nfs/dbraw/zinc/96/86/53/556968653.db2.gz TZDXMGGVOLMQRL-CPNJWEJPSA-N 0 1 446.488 3.834 40 10 IHCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccccn1 ZINC000409136150 556969630 /nfs/dbraw/zinc/96/96/30/556969630.db2.gz SWIKGJVOYMRYEQ-CPNJWEJPSA-N 0 1 430.533 3.937 40 10 IHCBMN COc1ccc(Br)cc1/C=C1\C(=O)NC(=S)N(c2cccc(C)c2C)C1=O ZINC000409140958 556972180 /nfs/dbraw/zinc/97/21/80/556972180.db2.gz HHONITVIUNXSAG-XNTDXEJSSA-N 0 1 445.338 3.906 40 10 IHCBMN CCOc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc1OC ZINC000409166371 556982239 /nfs/dbraw/zinc/98/22/39/556982239.db2.gz FFLQCNMQGBPXEC-UKTHLTGXSA-N 0 1 446.912 3.587 40 10 IHCBMN Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)NC1=S ZINC000409240048 557021274 /nfs/dbraw/zinc/02/12/74/557021274.db2.gz PJJNMHOJWSERPQ-SFQUDFHCSA-N 0 1 433.445 3.995 40 10 IHCBMN CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=S)N(c2ccccc2C)C1=O ZINC000409233084 557024620 /nfs/dbraw/zinc/02/46/20/557024620.db2.gz JVWONPDWOIUMMR-RVDMUPIBSA-N 0 1 445.338 3.988 40 10 IHCBMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(N2CCCC2)cc1F ZINC000409232974 557024630 /nfs/dbraw/zinc/02/46/30/557024630.db2.gz TZONLVIIXWUGIN-RVDMUPIBSA-N 0 1 429.904 3.911 40 10 IHCBMN CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)o1 ZINC000409249691 557030224 /nfs/dbraw/zinc/03/02/24/557030224.db2.gz VETXOHKAKOAMLF-RVDMUPIBSA-N 0 1 437.443 3.976 40 10 IHCBMN COc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc([N+](=O)[O-])c1O ZINC000409352005 557079098 /nfs/dbraw/zinc/07/90/98/557079098.db2.gz VLHWFJHWDAXQEW-AUWJEWJLSA-N 0 1 433.423 3.623 40 10 IHCBMN CCOc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Br)c1O ZINC000038161399 569260236 /nfs/dbraw/zinc/26/02/36/569260236.db2.gz QMLJHTXFMYDECC-WUXMJOGZSA-N 0 1 435.230 3.649 40 10 IHCBMN O=C1NC(=O)C(=Cc2cc([N+](=O)[O-])ccc2Sc2nc3ccccc3s2)C(=O)N1 ZINC000020534056 527046248 /nfs/dbraw/zinc/04/62/48/527046248.db2.gz WUPFJMOILKVQTP-UHFFFAOYSA-N 0 1 426.435 3.945 40 10 IHCBMN Cc1nn(-c2ccc(C)cc2)c(C)c1/C=C1\C(=O)NC(=O)N(CCc2ccccc2)C1=O ZINC000408757391 556237188 /nfs/dbraw/zinc/23/71/88/556237188.db2.gz MVUOTEGYKQNZID-PXLXIMEGSA-N 0 1 428.492 3.502 40 10 IHCBMN CCOc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)cc3)C(=O)NC2=S)cc1 ZINC000408959901 556899984 /nfs/dbraw/zinc/89/99/84/556899984.db2.gz HVHUDFSNQRJJQI-LTGZKZEYSA-N 0 1 435.549 3.907 40 10 IHCBMN CN(C)c1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc1 ZINC000409018739 556920032 /nfs/dbraw/zinc/92/00/32/556920032.db2.gz TZUNNORTOIQIQO-XSFVSMFZSA-N 0 1 434.496 3.514 40 10 IHCBMN COc1cc(N2CCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2cccc(C)c2C)C1=O ZINC000409147976 556973678 /nfs/dbraw/zinc/97/36/78/556973678.db2.gz XJODKCVVKYXNQH-CPNJWEJPSA-N 0 1 435.549 3.744 40 10 IHCBMN COc1ccccc1N1C(=O)/C(=C/c2cccn2-c2cccc(C)c2C)C(=O)NC1=S ZINC000409168691 556982982 /nfs/dbraw/zinc/98/29/82/556982982.db2.gz RMZBTKWGLODRQD-NBVRZTHBSA-N 0 1 431.517 3.934 40 10 IHCBMN CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc1OC ZINC000409173454 556984443 /nfs/dbraw/zinc/98/44/43/556984443.db2.gz NMXPUWSSXFKUKE-AOHITCTBSA-N 0 1 440.521 3.712 40 10 IHCBMN CCOc1cc(Cl)c(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc1OC ZINC000409174401 556985030 /nfs/dbraw/zinc/98/50/30/556985030.db2.gz SATKWPNFYJOYDZ-UKTHLTGXSA-N 0 1 446.912 3.587 40 10 IHCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3)C2=O)cc1OCC ZINC000409188516 556988700 /nfs/dbraw/zinc/98/87/00/556988700.db2.gz CNSDHASZWFFBFF-CPNJWEJPSA-N 0 1 438.480 3.545 40 10 IHCBMN Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3Cl)C2=O)c(C)n1C[C@H]1CCCO1 ZINC000409199059 556992942 /nfs/dbraw/zinc/99/29/42/556992942.db2.gz NMUWFIJAOXMKFK-HDAJJNEKSA-N 0 1 441.915 3.599 40 10 IHCBMN COc1cc(OC)c(OC)cc1/C=C1\C(=O)NC(=S)N(c2ccc(C(C)C)cc2)C1=O ZINC000409235754 557026369 /nfs/dbraw/zinc/02/63/69/557026369.db2.gz QHQXZNAZUBMHEX-LICLKQGHSA-N 0 1 440.521 3.667 40 10 IHCBMN CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccn4)c3C)C(=O)NC2=S)cc1 ZINC000409243076 557032871 /nfs/dbraw/zinc/03/28/71/557032871.db2.gz YKUKUFJFTKHPMC-XSFVSMFZSA-N 0 1 446.532 3.719 40 10 IHCBMN O=C(NN1C(=O)/C(=C\c2ccc(O)c(Br)c2)SC1=S)c1cccs1 ZINC000409339865 557067474 /nfs/dbraw/zinc/06/74/74/557067474.db2.gz LZFSNYMEQUHBOL-KPKJPENVSA-N 0 1 441.353 3.762 40 10 IHCBMN COC(=O)c1ccc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000059198519 557818547 /nfs/dbraw/zinc/81/85/47/557818547.db2.gz HDRROJGFQJWCJJ-XNTDXEJSSA-N 0 1 445.294 3.907 40 10 IHCBMN CN(C(=O)c1cn[nH]c1[C@@H]1CCCN(C(=O)[C@H]2OCCc3ccccc32)C1)c1ccccc1 ZINC000257317469 568718894 /nfs/dbraw/zinc/71/88/94/568718894.db2.gz VJVULZWASAWSPV-DVECYGJZSA-N 0 1 444.535 3.706 40 10 IHCBMN COc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1cccc([N+](=O)[O-])c1 ZINC000033668581 569259673 /nfs/dbraw/zinc/25/96/73/569259673.db2.gz WTUKLKXITMLWSG-XSFVSMFZSA-N 0 1 445.431 3.644 40 10 IHCBMN CN(C)c1ccc(-n2cccc2/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1 ZINC000004106674 132269746 /nfs/dbraw/zinc/26/97/46/132269746.db2.gz CLKFOXJWKNDLGM-JXAWBTAJSA-N 0 1 434.496 3.514 40 10 IHCBMN CC[C@H](C)Oc1c(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cccc1OC ZINC000015013705 521758605 /nfs/dbraw/zinc/75/86/05/521758605.db2.gz HLQNMBMTHNTABU-IGWPVBGESA-N 0 1 428.485 3.843 40 10 IHCBMN COc1cccc(Oc2ccc(NC=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)cc2)c1 ZINC000408547053 555802092 /nfs/dbraw/zinc/80/20/92/555802092.db2.gz HUTDYLIMDKINIP-MOSHPQCFSA-N 0 1 433.420 3.655 40 10 IHCBMN C[NH+]1CCN(c2ccc(/C=C(/Sc3nc4ccccc4o3)C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000408634073 556010341 /nfs/dbraw/zinc/01/03/41/556010341.db2.gz OPIPGUKEPRIYHR-CPNJWEJPSA-N 0 1 440.481 3.706 40 10 IHCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)c(Br)c3)C(=O)NC2=S)cc1 ZINC000408740056 556211633 /nfs/dbraw/zinc/21/16/33/556211633.db2.gz CTIWAXMGWAMVOU-XNTDXEJSSA-N 0 1 444.354 3.655 40 10 IHCBMN Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)NC2=S)cc1 ZINC000408740481 556212721 /nfs/dbraw/zinc/21/27/21/556212721.db2.gz GJYUCKYYQOXRHW-PDGQHHTCSA-N 0 1 433.445 3.995 40 10 IHCBMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408809909 556862148 /nfs/dbraw/zinc/86/21/48/556862148.db2.gz SQSMCGHWTVQMLN-UHFFFAOYSA-N 0 1 435.263 3.721 40 10 IHCBMN CCOc1ccc(Br)cc1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O ZINC000408868844 556874208 /nfs/dbraw/zinc/87/42/08/556874208.db2.gz NRAVSEIHOJZWHQ-PTNGSMBKSA-N 0 1 431.311 3.679 40 10 IHCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC ZINC000408875807 556876665 /nfs/dbraw/zinc/87/66/65/556876665.db2.gz LBJDJWVKFKFBMU-GDNBJRDFSA-N 0 1 430.913 3.969 40 10 IHCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccccc3OCC)C2=O)cc1OC ZINC000409127394 556965814 /nfs/dbraw/zinc/96/58/14/556965814.db2.gz PTKSMLQAZBMNKC-NBVRZTHBSA-N 0 1 438.480 3.545 40 10 IHCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCC)cc3)C2=O)cc1OC ZINC000409127594 556966057 /nfs/dbraw/zinc/96/60/57/556966057.db2.gz DJRNDQRKOVMYNS-CPNJWEJPSA-N 0 1 438.480 3.545 40 10 IHCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1C[C@@H]1CCCO1 ZINC000409195322 556993704 /nfs/dbraw/zinc/99/37/04/556993704.db2.gz HOGFFYAEXLFJHK-PYJSORCASA-N 0 1 443.956 3.769 40 10 IHCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000409199606 556998980 /nfs/dbraw/zinc/99/89/80/556998980.db2.gz ICCHERYSBZLKQC-GDNBJRDFSA-N 0 1 429.816 3.913 40 10 IHCBMN CCOc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C1=O)OCO2 ZINC000409227563 557014731 /nfs/dbraw/zinc/01/47/31/557014731.db2.gz PYJVOELFUSOTTG-RQZCQDPDSA-N 0 1 438.505 3.769 40 10 IHCBMN Cc1nc2cc([C@H]3CCCN3Cc3ccccc3O)nn2c(C)c1CCC(=O)NC1CC1 ZINC000257279003 568701587 /nfs/dbraw/zinc/70/15/87/568701587.db2.gz OENYVGVJYQODIH-JOCHJYFZSA-N 0 1 433.556 3.600 40 10 IHCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OC ZINC000016688302 556626319 /nfs/dbraw/zinc/62/63/19/556626319.db2.gz QEGLUIXLVBUNFZ-RIYZIHGNSA-N 0 1 434.876 3.718 40 10 IHCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1cccnc1 ZINC000408784909 556855500 /nfs/dbraw/zinc/85/55/00/556855500.db2.gz WMALXGJRHLLPNH-UDWIEESQSA-N 0 1 430.533 3.937 40 10 IHCBMN CCOc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3C)C(=O)NC2=S)cc1 ZINC000408961627 556901069 /nfs/dbraw/zinc/90/10/69/556901069.db2.gz UDZBOTXUIFDHSW-RCCKNPSSSA-N 0 1 435.549 3.825 40 10 IHCBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C)cn4)c3C)C(=O)NC2=S)cc1 ZINC000409017448 556919343 /nfs/dbraw/zinc/91/93/43/556919343.db2.gz WRRIWJAZJYILGG-UDWIEESQSA-N 0 1 446.532 3.637 40 10 IHCBMN CCOc1ccc(N2C(=O)/C(=C/c3cc(Cl)ccc3OCC)C(=O)NC2=S)cc1 ZINC000409105497 556958584 /nfs/dbraw/zinc/95/85/84/556958584.db2.gz IANVQQGOSFLHLU-SFQUDFHCSA-N 0 1 430.913 3.969 40 10 IHCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cccc(OCC)c3)C2=O)cc1OC ZINC000409131576 556963370 /nfs/dbraw/zinc/96/33/70/556963370.db2.gz YHMCUUACUKOYBA-UYRXBGFRSA-N 0 1 438.480 3.545 40 10 IHCBMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1Br ZINC000409221519 557016795 /nfs/dbraw/zinc/01/67/95/557016795.db2.gz RLMMATOVHCQODL-GXDHUFHOSA-N 0 1 445.338 3.988 40 10 IHCBMN Cc1nc([C@H]2CCCN(Cc3ccc(N4CCCCC4)cc3F)C2)ncc1C(=O)N(C)C ZINC000019763654 569238107 /nfs/dbraw/zinc/23/81/07/569238107.db2.gz KTIQHBQPONKLDN-FQEVSTJZSA-N 0 1 439.579 3.996 40 10 IHCBMN CCOc1cc(OCC)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br ZINC000107684136 569260524 /nfs/dbraw/zinc/26/05/24/569260524.db2.gz AGKCLWFADZGGKI-GDNBJRDFSA-N 0 1 431.286 3.708 40 10 IHCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1OCc1cccc(F)c1 ZINC000107837545 569260671 /nfs/dbraw/zinc/26/06/71/569260671.db2.gz DABHIPAQXBKDLR-MOSHPQCFSA-N 0 1 433.395 3.774 40 10 IHCBMN CCCCCCOc1c(Br)cc(C=C2C(=O)NC(=O)NC2=O)cc1OCC ZINC000408537104 555768613 /nfs/dbraw/zinc/76/86/13/555768613.db2.gz CDGBEXKSIBJZJC-UHFFFAOYSA-N 0 1 439.306 3.556 40 10 IHCBMN Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(C)c([N+](=O)[O-])c1 ZINC000408692396 556095628 /nfs/dbraw/zinc/09/56/28/556095628.db2.gz LPIZZYWOOYZSCF-YBFXNURJSA-N 0 1 436.468 3.715 40 10 IHCBMN COc1cc(/C=C2/C(=O)NN(c3cccc(Br)c3)C2=O)ccc1OC(C)C ZINC000032099496 556528807 /nfs/dbraw/zinc/52/88/07/556528807.db2.gz VIBSRYGUOQNRRX-SXGWCWSVSA-N 0 1 431.286 3.706 40 10 IHCBMN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC)c(Cl)c3)C(=O)NC2=S)cc1 ZINC000408771993 556847639 /nfs/dbraw/zinc/84/76/39/556847639.db2.gz JMTJBGLVNFCTSZ-LFIBNONCSA-N 0 1 430.913 3.969 40 10 IHCBMN Cc1c(Br)c(/C=C2\NC(=O)NC2=O)c(C)n1-c1ccc(Br)cc1 ZINC000408843964 556868326 /nfs/dbraw/zinc/86/83/26/556868326.db2.gz HPJCOWUPFCJIAM-NTUHNPAUSA-N 0 1 439.107 3.799 40 10 IHCBMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408897518 556883107 /nfs/dbraw/zinc/88/31/07/556883107.db2.gz XMNGIAWQNOUSOH-UHFFFAOYSA-N 0 1 428.872 3.684 40 10 IHCBMN CCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=S)N(c2ccc(OC)cc2OC)C1=O ZINC000409066437 556941828 /nfs/dbraw/zinc/94/18/28/556941828.db2.gz OSGNBRNZFXJEHZ-GDNBJRDFSA-N 0 1 446.912 3.587 40 10 IHCBMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Br)cs1 ZINC000409238639 557020163 /nfs/dbraw/zinc/02/01/63/557020163.db2.gz LJDRJBKFMGLNLN-UXBLZVDNSA-N 0 1 427.732 3.995 40 10 IHCBMN COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c1OC(C)C ZINC000409232079 557023652 /nfs/dbraw/zinc/02/36/52/557023652.db2.gz NVRDIFXZISAZIT-SDNWHVSQSA-N 0 1 430.913 3.967 40 10 IHCBMN COc1cc(Cl)c(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc1OC ZINC000409232444 557024491 /nfs/dbraw/zinc/02/44/91/557024491.db2.gz HUKYQBVTXGBPMI-RIYZIHGNSA-N 0 1 430.913 3.805 40 10 IHCBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(OC)c1 ZINC000409234093 557025221 /nfs/dbraw/zinc/02/52/21/557025221.db2.gz LUIDZOZABWPIPP-OVCLIPMQSA-N 0 1 436.411 3.554 40 10 IHCBMN O=C(NN1C(=O)/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)SC1=S)c1cccs1 ZINC000409326573 557061262 /nfs/dbraw/zinc/06/12/62/557061262.db2.gz CGGOSCJNWWHSJY-GHXNOFRVSA-N 0 1 425.900 3.856 40 10 IHCBMN Cc1ccc(COc2ccc([N+](=O)[O-])cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 ZINC000409401316 557102016 /nfs/dbraw/zinc/10/20/16/557102016.db2.gz WUIXHFPAJAOHSJ-STZFKDTASA-N 0 1 429.432 3.944 40 10 IHCBMN COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccccc2)c1O ZINC000102728802 557131898 /nfs/dbraw/zinc/13/18/98/557131898.db2.gz LXPXVPZNTKCSBO-FUPPJEDESA-N 0 1 430.460 3.760 40 10 IHCBMN Cc1cc(OCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc(C)c1Br ZINC000216950540 557165393 /nfs/dbraw/zinc/16/53/93/557165393.db2.gz NQRVBNYZZZGOMH-UHFFFAOYSA-N 0 1 446.389 3.513 40 10 IHCBMN CN1CCN(c2ccc(CNC(=O)CCCN3c4cccc5cccc(c45)C3=O)cc2)CC1 ZINC000219475766 557252664 /nfs/dbraw/zinc/25/26/64/557252664.db2.gz PKJQKMWQVYCHER-UHFFFAOYSA-N 0 1 442.563 3.648 40 10 IHCBMN CN1CCN(c2ccc(CNC(=S)Nc3ccc(Br)cc3F)cc2)CC1 ZINC000225776716 557776377 /nfs/dbraw/zinc/77/63/77/557776377.db2.gz YDXLYTNVIOLVRF-UHFFFAOYSA-N 0 1 437.382 3.827 40 10 IHCBMN CCn1cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)c2ccccc21 ZINC000059594597 557824297 /nfs/dbraw/zinc/82/42/97/557824297.db2.gz LHQJJVHUGLTHFF-GZTJUZNOSA-N 0 1 435.505 3.510 40 10 IHCBMN CCOc1cccc(N2C(=O)/C(=C\c3ccc(Br)cc3)C(=O)NC2=S)c1 ZINC000006573625 568792174 /nfs/dbraw/zinc/79/21/74/568792174.db2.gz HIPUDYGQZZZNGL-YBEGLDIGSA-N 0 1 431.311 3.679 40 10 IHCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OC)C(=O)NC2=S)cc1 ZINC000108218382 569252748 /nfs/dbraw/zinc/25/27/48/569252748.db2.gz NKYYTSZTTMWPIC-LFIBNONCSA-N 0 1 445.338 3.851 40 10 IHCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1OCc1ccc(F)cc1 ZINC000108243812 569260916 /nfs/dbraw/zinc/26/09/16/569260916.db2.gz CRPYKVLUIWUJFP-UYRXBGFRSA-N 0 1 433.395 3.774 40 10 IHCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1OCc1cccc(F)c1 ZINC000108243801 569260943 /nfs/dbraw/zinc/26/09/43/569260943.db2.gz FAWAYCFPVGODGP-UYRXBGFRSA-N 0 1 433.395 3.774 40 10 IHCBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000408692056 556094584 /nfs/dbraw/zinc/09/45/84/556094584.db2.gz CJNIFXIWVKGQSO-XDHOZWIPSA-N 0 1 438.455 3.818 40 10 IHCBMN COc1ccc(N2CCN(C(=O)C3CCN(Cc4cccc(Cl)c4)CC3)CC2)cc1 ZINC000039768208 556437392 /nfs/dbraw/zinc/43/73/92/556437392.db2.gz QGKCCGMHYDZWNJ-UHFFFAOYSA-N 0 1 427.976 3.909 40 10 IHCBMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1c(C)ccc2ccccc21 ZINC000408805488 556860759 /nfs/dbraw/zinc/86/07/59/556860759.db2.gz KQWPFVCHUBFBMD-UHFFFAOYSA-N 0 1 430.460 3.875 40 10 IHCBMN O=C1NC(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)C(=O)N1 ZINC000408816631 556863600 /nfs/dbraw/zinc/86/36/00/556863600.db2.gz ZAKQMGHEVJZRJK-UHFFFAOYSA-N 0 1 425.655 3.975 40 10 IHCBMN O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C/c1ccc(Br)o1 ZINC000408967208 556903200 /nfs/dbraw/zinc/90/32/00/556903200.db2.gz QSNYEMCEIZEFSK-RMKNXTFCSA-N 0 1 429.654 3.666 40 10 IHCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)ccc1OC ZINC000409094225 556949792 /nfs/dbraw/zinc/94/97/92/556949792.db2.gz CFWXXXWKQZWJMB-GXDHUFHOSA-N 0 1 430.913 3.887 40 10 IHCBMN CC[C@H](C)Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccc(OC)cc2OC)C1=O ZINC000409095147 556950298 /nfs/dbraw/zinc/95/02/98/556950298.db2.gz GYCQPNOILMNDLI-IQGJIOQQSA-N 0 1 440.521 3.712 40 10 IHCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1OC ZINC000409141529 556972588 /nfs/dbraw/zinc/97/25/88/556972588.db2.gz IHIHOGSZDJMPRT-RIYZIHGNSA-N 0 1 430.913 3.805 40 10 IHCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000409196949 556994736 /nfs/dbraw/zinc/99/47/36/556994736.db2.gz SZUMJPKGWWBBLW-GDNBJRDFSA-N 0 1 429.816 3.913 40 10 IHCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000409205009 557003441 /nfs/dbraw/zinc/00/34/41/557003441.db2.gz FGAXVTLJWIJGFF-GDNBJRDFSA-N 0 1 429.816 3.913 40 10 IHCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccn1 ZINC000409221885 557017168 /nfs/dbraw/zinc/01/71/68/557017168.db2.gz VOIOLPDOSUXBGZ-LDADJPATSA-N 0 1 436.924 3.974 40 10 IHCBMN CN(C)c1ccc([C@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000102708052 557133122 /nfs/dbraw/zinc/13/31/22/557133122.db2.gz SIFVCQCQAKWGQN-XPWALMASSA-N 0 1 431.467 3.943 40 10 IHCBMN CN(C)c1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102708052 557133125 /nfs/dbraw/zinc/13/31/25/557133125.db2.gz SIFVCQCQAKWGQN-XPWALMASSA-N 0 1 431.467 3.943 40 10 IHCBMN Cc1cc(NC(=S)NCc2ccc(N3CCN(C)CC3)cc2)ccc1Br ZINC000225776293 557776305 /nfs/dbraw/zinc/77/63/05/557776305.db2.gz SECPFYZPEYUNEJ-UHFFFAOYSA-N 0 1 433.419 3.996 40 10 IHCBMN COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(C4CCCC4)C3=O)c2C)c1C ZINC000408692924 556092845 /nfs/dbraw/zinc/09/28/45/556092845.db2.gz YMXSOWMGUXOVOB-DEDYPNTBSA-N 0 1 449.507 3.594 40 10 IHCBMN COc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc([N+](=O)[O-])c1O ZINC000037342272 556601663 /nfs/dbraw/zinc/60/16/63/556601663.db2.gz CASHYUSWRDDTCR-RIYZIHGNSA-N 0 1 433.423 3.623 40 10 IHCBMN COc1cccc([C@H]2[C@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)c1O ZINC000101047505 556652655 /nfs/dbraw/zinc/65/26/55/556652655.db2.gz TWGRPKZELCYRLM-GIWBLDEGSA-N 0 1 430.460 3.760 40 10 IHCBMN COc1cccc([C@H]2[C@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]3ON2c2ccccc2)c1O ZINC000101047505 556652659 /nfs/dbraw/zinc/65/26/59/556652659.db2.gz TWGRPKZELCYRLM-GIWBLDEGSA-N 0 1 430.460 3.760 40 10 IHCBMN CCOc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(OC)cc3)C(=O)NC2=S)cc1 ZINC000408848751 556870444 /nfs/dbraw/zinc/87/04/44/556870444.db2.gz TTYJEMHNWLFTMQ-RCCKNPSSSA-N 0 1 447.516 3.716 40 10 IHCBMN CCOc1cccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)cc3)C(=O)NC2=S)c1 ZINC000408960842 556899907 /nfs/dbraw/zinc/89/99/07/556899907.db2.gz OQRJJZABZWFGTH-RCCKNPSSSA-N 0 1 435.549 3.907 40 10 IHCBMN COc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)NC1=S ZINC000409172260 556984010 /nfs/dbraw/zinc/98/40/10/556984010.db2.gz FMAAGFDODPVHHK-VBKFSLOCSA-N 0 1 449.444 3.695 40 10 IHCBMN COc1ccc(Br)cc1/C=C1\C(=O)NC(=S)N(c2cc(C)ccc2C)C1=O ZINC000409226277 557014366 /nfs/dbraw/zinc/01/43/66/557014366.db2.gz MPPDXLRINUWVHJ-XNTDXEJSSA-N 0 1 445.338 3.906 40 10 IHCBMN CCOc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1OC ZINC000409220639 557016216 /nfs/dbraw/zinc/01/62/16/557016216.db2.gz CODRHBARRQKTHD-NTEUORMPSA-N 0 1 430.913 3.887 40 10 IHCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc(Cl)c1OC ZINC000409235079 557026147 /nfs/dbraw/zinc/02/61/47/557026147.db2.gz YNTYUGAPRKJHID-YRNVUSSQSA-N 0 1 437.304 3.842 40 10 IHCBMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC ZINC000409244378 557034167 /nfs/dbraw/zinc/03/41/67/557034167.db2.gz BRGOUZRVORSENB-OQLLNIDSSA-N 0 1 430.913 3.887 40 10 IHCBMN COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000409373437 557089948 /nfs/dbraw/zinc/08/99/48/557089948.db2.gz SQCYAWQZHXREQY-UDWIEESQSA-N 0 1 446.459 3.838 40 10 IHCBMN O=C1NC(=O)C(=Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)C(=O)N1 ZINC000059535676 557827391 /nfs/dbraw/zinc/82/73/91/557827391.db2.gz OJPAPGKCYUQAAS-UHFFFAOYSA-N 0 1 425.655 3.975 40 10 IHCBMN COc1ccccc1Oc1ccc(NC=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 ZINC000107924655 569251618 /nfs/dbraw/zinc/25/16/18/569251618.db2.gz YXPQTCMFEUFVSO-AQTBWJFISA-N 0 1 433.420 3.655 40 10 IHCBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCc1ccccc1 ZINC000033654930 569259413 /nfs/dbraw/zinc/25/94/13/569259413.db2.gz PDQNPOOMOKKDEA-MOSHPQCFSA-N 0 1 430.460 3.744 40 10 IHCBMN O=C(COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl)Nc1ccccc1 ZINC000034848963 569260103 /nfs/dbraw/zinc/26/01/03/569260103.db2.gz OAKKTBFCQIKSRO-UYRXBGFRSA-N 0 1 447.878 3.819 40 10 IHCBMN COc1cc(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OC(C)C ZINC000108241629 569260938 /nfs/dbraw/zinc/26/09/38/569260938.db2.gz OTEGGXNQBPXYIE-YBEGLDIGSA-N 0 1 431.286 3.706 40 10 IHCBMN CCOc1cc(Br)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c1 ZINC000408865122 556873304 /nfs/dbraw/zinc/87/33/04/556873304.db2.gz BQXACZJQAIZNHB-YBEGLDIGSA-N 0 1 431.311 3.679 40 10 IHCBMN O=C1NC(=O)C(=Cc2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)C(=O)N1 ZINC000408886017 556878260 /nfs/dbraw/zinc/87/82/60/556878260.db2.gz CSVAEWUWQKDISL-UHFFFAOYSA-N 0 1 425.655 3.975 40 10 IHCBMN O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C/c1ccc(N2CCCCC2)o1 ZINC000408967965 556903604 /nfs/dbraw/zinc/90/36/04/556903604.db2.gz WDBGYWXOFZBHRJ-SDNWHVSQSA-N 0 1 433.892 3.894 40 10 IHCBMN O=C1NC(=O)C(=Cc2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2)C(=O)N1 ZINC000409046040 556930545 /nfs/dbraw/zinc/93/05/45/556930545.db2.gz IGOYRTILRGJDLC-UHFFFAOYSA-N 0 1 425.655 3.975 40 10 IHCBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(OC)c1OC ZINC000409075994 556943817 /nfs/dbraw/zinc/94/38/17/556943817.db2.gz WDGQGPXRURIMTM-JLHYYAGUSA-N 0 1 446.912 3.506 40 10 IHCBMN COc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)NC1=S ZINC000409172723 556984275 /nfs/dbraw/zinc/98/42/75/556984275.db2.gz HDPKXAQSYIATKG-QINSGFPZSA-N 0 1 449.444 3.695 40 10 IHCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc(Cl)c1OC ZINC000409174967 556985186 /nfs/dbraw/zinc/98/51/86/556985186.db2.gz WZLQZPLBCWPOKD-UKTHLTGXSA-N 0 1 446.912 3.587 40 10 IHCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1OC ZINC000409228580 557015355 /nfs/dbraw/zinc/01/53/55/557015355.db2.gz ZMBCZIRYXUEYND-VGOFMYFVSA-N 0 1 446.912 3.506 40 10 IHCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)ccc1N1CCOCC1 ZINC000409238685 557020032 /nfs/dbraw/zinc/02/00/32/557020032.db2.gz FHPQYMMRSNPOQM-RCCKNPSSSA-N 0 1 449.576 3.786 40 10 IHCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(Cl)cc1OC ZINC000409235433 557026450 /nfs/dbraw/zinc/02/64/50/557026450.db2.gz PXGVVVSJBNBYIV-NTEUORMPSA-N 0 1 430.913 3.887 40 10 IHCBMN CCOC(=O)c1ccc(NC(C)=C2C(=O)N(c3ccc(F)cc3)N=C2CC(=O)OC)cc1 ZINC000112292126 557239274 /nfs/dbraw/zinc/23/92/74/557239274.db2.gz ZTLKADJIZMOROF-STZFKDTASA-N 0 1 439.443 3.654 40 10 IHCBMN O=C(COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1)Nc1ccc(Cl)cc1 ZINC000033731553 569259816 /nfs/dbraw/zinc/25/98/16/569259816.db2.gz JUVSRPICDNXDBJ-STZFKDTASA-N 0 1 447.878 3.819 40 10 IHCBMN CCOc1cc(Br)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OCC ZINC000035131182 569260170 /nfs/dbraw/zinc/26/01/70/569260170.db2.gz HRQKQBRDQIGIPL-GDNBJRDFSA-N 0 1 431.286 3.708 40 10 IHCBMN COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)o2)cc1 ZINC000009323774 132313817 /nfs/dbraw/zinc/31/38/17/132313817.db2.gz VVYCUZQBXBBDRN-QGOAFFKASA-N 0 1 446.484 3.873 40 10 IHCBMN COc1ccc(N2C(=O)/C(=C\c3cccn3-c3ccc(C)cc3C)C(=O)NC2=S)cc1 ZINC000001163548 536659279 /nfs/dbraw/zinc/65/92/79/536659279.db2.gz ISWUVZPVTXIHHQ-ZHZULCJRSA-N 0 1 431.517 3.934 40 10 IHCBMN CC1=NN(c2ccc(F)cc2)C(=O)C1=CNc1cc2[nH]c(=O)[nH]c2cc1Br ZINC000408528988 555722216 /nfs/dbraw/zinc/72/22/16/555722216.db2.gz GPECXIUQCZAINZ-WQLSENKSSA-N 0 1 430.237 3.889 40 10 IHCBMN Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1C=Nc1cc2[nH]c(=O)[nH]c2cc1Br ZINC000408528988 555722218 /nfs/dbraw/zinc/72/22/18/555722218.db2.gz GPECXIUQCZAINZ-WQLSENKSSA-N 0 1 430.237 3.889 40 10 IHCBMN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(C4CCCC4)C3=O)c2C)c1 ZINC000408692935 556092744 /nfs/dbraw/zinc/09/27/44/556092744.db2.gz YVJMHMYGBNTUDT-KGENOOAVSA-N 0 1 449.507 3.675 40 10 IHCBMN O=C1NC(=O)C(=Cc2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1 ZINC000016399884 556605282 /nfs/dbraw/zinc/60/52/82/556605282.db2.gz WBOQXWCRSDDLEH-UHFFFAOYSA-N 0 1 446.213 3.526 40 10 IHCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc(Cl)c1OC ZINC000016688304 556626353 /nfs/dbraw/zinc/62/63/53/556626353.db2.gz UOCUEXFHPHRGBH-VGOFMYFVSA-N 0 1 434.876 3.718 40 10 IHCBMN CCOc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Br ZINC000408883686 556877524 /nfs/dbraw/zinc/87/75/24/556877524.db2.gz VKXKHZKZNUVEST-UVTDQMKNSA-N 0 1 431.311 3.679 40 10 IHCBMN Cc1cccc(N2C(=O)/C(=C/c3cccn3-c3ccc(N(C)C)cc3)C(=O)NC2=S)c1 ZINC000408953191 556897714 /nfs/dbraw/zinc/89/77/14/556897714.db2.gz OSUSWZUTSWWQQN-RCCKNPSSSA-N 0 1 430.533 3.683 40 10 IHCBMN COc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc1 ZINC000408955703 556899231 /nfs/dbraw/zinc/89/92/31/556899231.db2.gz YQHIMDBUSXEFNN-KGENOOAVSA-N 0 1 431.517 3.934 40 10 IHCBMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(Cl)s1 ZINC000408965497 556902480 /nfs/dbraw/zinc/90/24/80/556902480.db2.gz HZYXKPJSBOZNGP-YRNVUSSQSA-N 0 1 427.732 3.995 40 10 IHCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1cccnc1 ZINC000409221146 557016527 /nfs/dbraw/zinc/01/65/27/557016527.db2.gz LOMYQSJFXNPKTR-GZTJUZNOSA-N 0 1 436.924 3.974 40 10 IHCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(N2CCCC2)o1 ZINC000409223282 557017626 /nfs/dbraw/zinc/01/76/26/557017626.db2.gz FDBSBAZRLAQUIR-RVDMUPIBSA-N 0 1 435.427 3.730 40 10 IHCBMN COc1ccc(OC)c(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1 ZINC000409239343 557020739 /nfs/dbraw/zinc/02/07/39/557020739.db2.gz PMEZQRHWDCJMNZ-OQLLNIDSSA-N 0 1 436.411 3.554 40 10 IHCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccccn1 ZINC000409232456 557024300 /nfs/dbraw/zinc/02/43/00/557024300.db2.gz HXYQVYVXPDTMAX-DEDYPNTBSA-N 0 1 430.533 3.937 40 10 IHCBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OC ZINC000409245923 557027673 /nfs/dbraw/zinc/02/76/73/557027673.db2.gz AYHXCSCVDCEUMN-RIYZIHGNSA-N 0 1 436.411 3.554 40 10 IHCBMN COc1ccc(-c2ccc(/C=C3\C(=O)NN(c4ccc(C)c(C)c4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000059416949 557822886 /nfs/dbraw/zinc/82/28/86/557822886.db2.gz WUVXDRDUPAMHBN-YBFXNURJSA-N 0 1 433.420 3.942 40 10 IHCBMN O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)C1=CNc1cccc(N2CCCC2)c1 ZINC000408553106 555881782 /nfs/dbraw/zinc/88/17/82/555881782.db2.gz XJIFFJMSSYVIMY-VBKFSLOCSA-N 0 1 444.919 3.823 40 10 IHCBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1OCc1cccc(F)c1 ZINC000408692389 556095598 /nfs/dbraw/zinc/09/55/98/556095598.db2.gz LLBFXGIZNGZMEW-XDHOZWIPSA-N 0 1 438.455 3.818 40 10 IHCBMN CCOc1ccc(N2C(=O)/C(=C\c3ccc(N4CCCC4)c(F)c3)C(=O)NC2=S)cc1 ZINC000009263187 556270091 /nfs/dbraw/zinc/27/00/91/556270091.db2.gz IZHGERQOEQNNMD-AQTBWJFISA-N 0 1 439.512 3.656 40 10 IHCBMN CCOc1c(C=C2C(=O)NC(=O)NC2=O)cccc1OCc1ccc(Cl)cc1Cl ZINC000006600254 556837718 /nfs/dbraw/zinc/83/77/18/556837718.db2.gz JGWZSUSCGKBAJF-UHFFFAOYSA-N 0 1 435.263 3.721 40 10 IHCBMN CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)o1 ZINC000408812801 556862947 /nfs/dbraw/zinc/86/29/47/556862947.db2.gz POTZULPSVBDHAI-RVDMUPIBSA-N 0 1 448.342 3.720 40 10 IHCBMN COc1cc(Cl)c(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1OC ZINC000409123209 556962254 /nfs/dbraw/zinc/96/22/54/556962254.db2.gz AJMMSTLFKRBJMU-RIYZIHGNSA-N 0 1 430.913 3.805 40 10 IHCBMN Cc1cccc(N2C(=O)/C(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)C(=O)NC2=S)c1C ZINC000409135510 556969091 /nfs/dbraw/zinc/96/90/91/556969091.db2.gz RTKFVZAVMNVVJZ-CPNJWEJPSA-N 0 1 446.488 3.834 40 10 IHCBMN COc1cc(OC)c(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(OC)c1 ZINC000409231958 557023481 /nfs/dbraw/zinc/02/34/81/557023481.db2.gz GMDIFWDHGRXGNA-XNTDXEJSSA-N 0 1 446.912 3.506 40 10 IHCBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1Br ZINC000409242399 557032420 /nfs/dbraw/zinc/03/24/20/557032420.db2.gz UQCBFBWANMMTEA-UKTHLTGXSA-N 0 1 431.311 3.597 40 10 IHCBMN CN(C)c1ccc([C@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000102708048 557133165 /nfs/dbraw/zinc/13/31/65/557133165.db2.gz SIFVCQCQAKWGQN-RJGXRXQPSA-N 0 1 431.467 3.943 40 10 IHCBMN CN(C)c1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102708048 557133169 /nfs/dbraw/zinc/13/31/69/557133169.db2.gz SIFVCQCQAKWGQN-RJGXRXQPSA-N 0 1 431.467 3.943 40 10 IHCBMN CCOC(=O)[C@H](C)Oc1ccc2ccccc2c1/C=C1/C(=O)NN(c2ccccc2)C1=O ZINC000033410706 569259306 /nfs/dbraw/zinc/25/93/06/569259306.db2.gz VJGHLUHKEFWWKH-NOEYKIMYSA-N 0 1 430.460 3.632 40 10 IHCBMN COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c2C)cc1 ZINC000004087082 555960173 /nfs/dbraw/zinc/96/01/73/555960173.db2.gz LWWMEQSWGBNIMJ-UDWIEESQSA-N 0 1 447.447 3.976 40 10 IHCBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1OCc1cccc(C)c1 ZINC000408692159 556095001 /nfs/dbraw/zinc/09/50/01/556095001.db2.gz FTVAVPSYJNHFKB-DEDYPNTBSA-N 0 1 434.492 3.987 40 10 IHCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1cccn1-c1ccc(Br)cc1 ZINC000408695805 556098066 /nfs/dbraw/zinc/09/80/66/556098066.db2.gz ZTFFONSPUKICJK-SFQUDFHCSA-N 0 1 428.286 3.644 40 10 IHCBMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000032116969 556532845 /nfs/dbraw/zinc/53/28/45/556532845.db2.gz YPGBMYNREDKFRA-LFYBBSHMSA-N 0 1 431.813 3.649 40 10 IHCBMN CCOc1cccc(N2C(=O)/C(=C/c3ccc(OCC)c(Cl)c3)C(=O)NC2=S)c1 ZINC000408772429 556847596 /nfs/dbraw/zinc/84/75/96/556847596.db2.gz LPUCRAUZTHPJLS-MHWRWJLKSA-N 0 1 430.913 3.969 40 10 IHCBMN CCOc1c(Cl)cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000408916925 556888603 /nfs/dbraw/zinc/88/86/03/556888603.db2.gz IWPRDWJNJCWDNF-ZSOIEALJSA-N 0 1 434.876 3.718 40 10 IHCBMN COc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1 ZINC000408950140 556898066 /nfs/dbraw/zinc/89/80/66/556898066.db2.gz DPTSAQAREYMQPV-XSFVSMFZSA-N 0 1 431.517 3.934 40 10 IHCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccccn1 ZINC000409146472 556977265 /nfs/dbraw/zinc/97/72/65/556977265.db2.gz UHFIAMXFQUBMRW-CPNJWEJPSA-N 0 1 430.533 3.937 40 10 IHCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1C[C@H]1CCCO1 ZINC000409195320 556993639 /nfs/dbraw/zinc/99/36/39/556993639.db2.gz HOGFFYAEXLFJHK-HDAJJNEKSA-N 0 1 443.956 3.769 40 10 IHCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1C[C@H]1CCCO1 ZINC000409196767 556994705 /nfs/dbraw/zinc/99/47/05/556994705.db2.gz XONRTGBEBPRVQH-BCVDLATCSA-N 0 1 437.565 3.732 40 10 IHCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1C[C@@H]1CCCO1 ZINC000409204751 557003108 /nfs/dbraw/zinc/00/31/08/557003108.db2.gz JYIMJDWFVLCEDH-JLDPKJTDSA-N 0 1 437.565 3.732 40 10 IHCBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc1Br ZINC000409222654 557017385 /nfs/dbraw/zinc/01/73/85/557017385.db2.gz CROSDTMHCUOHPO-NTEUORMPSA-N 0 1 445.338 3.906 40 10 IHCBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)C(=O)NC2=S)c1 ZINC000409223232 557017549 /nfs/dbraw/zinc/01/75/49/557017549.db2.gz DTBRSAGBURIWEC-CPNJWEJPSA-N 0 1 446.488 3.834 40 10 IHCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(Br)o1 ZINC000409238379 557019678 /nfs/dbraw/zinc/01/96/78/557019678.db2.gz NIYKQYKYYRVFOB-YRNVUSSQSA-N 0 1 445.216 3.892 40 10 IHCBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3cccn3-c3ccc(N(C)C)cc3)C(=O)NC2=S)c1 ZINC000409234460 557025663 /nfs/dbraw/zinc/02/56/63/557025663.db2.gz WWFSLEWVEDNHET-RCCKNPSSSA-N 0 1 444.560 3.991 40 10 IHCBMN COC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)o1 ZINC000409254985 557034461 /nfs/dbraw/zinc/03/44/61/557034461.db2.gz XIPLFZOIOFCISG-QGOAFFKASA-N 0 1 446.484 3.873 40 10 IHCBMN CN1CCN(c2ccc(CNC(=O)CSCc3ccc(Br)cc3)cc2)CC1 ZINC000216931683 557162499 /nfs/dbraw/zinc/16/24/99/557162499.db2.gz SJCIIMYTEOVQPM-UHFFFAOYSA-N 0 1 448.430 3.751 40 10 IHCBMN CN(C)c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(OCc2ccccc2F)c1 ZINC000107736905 569260550 /nfs/dbraw/zinc/26/05/50/569260550.db2.gz VTLKIPAVHSIJTF-STZFKDTASA-N 0 1 431.467 3.932 40 10 IHCBMN O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)C1=CNc1cc(Cl)ccc1O ZINC000408549853 555830783 /nfs/dbraw/zinc/83/07/83/555830783.db2.gz AIMJPNVBVMYBPV-YFHOEESVSA-N 0 1 426.256 3.582 40 10 IHCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408695457 556097859 /nfs/dbraw/zinc/09/78/59/556097859.db2.gz VKZWZCZDLHMWDP-CPNJWEJPSA-N 0 1 435.436 3.578 40 10 IHCBMN Cc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccc(N(C)C)cc2)C(=O)NC1=S ZINC000408953385 556898084 /nfs/dbraw/zinc/89/80/84/556898084.db2.gz PDUSDBNHGYOILH-HMMYKYKNSA-N 0 1 430.533 3.683 40 10 IHCBMN Cc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000409000124 556914106 /nfs/dbraw/zinc/91/41/06/556914106.db2.gz MOUQSZRKXMZGGH-XKZIYDEJSA-N 0 1 447.466 3.904 40 10 IHCBMN O=C1NC(=O)C(=Cc2cc(Cl)cc(Cl)c2OCc2ccccc2Cl)C(=O)N1 ZINC000409044695 556930377 /nfs/dbraw/zinc/93/03/77/556930377.db2.gz WSYWQXFINVBPIF-UHFFFAOYSA-N 0 1 425.655 3.975 40 10 IHCBMN Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)C(=O)NC2=S)c(C)c1 ZINC000409128256 556966605 /nfs/dbraw/zinc/96/66/05/556966605.db2.gz SAYIJNPURZBVOU-CPNJWEJPSA-N 0 1 446.488 3.834 40 10 IHCBMN COc1ccc(Br)cc1/C=C1\C(=O)NC(=S)N(c2ccc(C)cc2C)C1=O ZINC000409135138 556968868 /nfs/dbraw/zinc/96/88/68/556968868.db2.gz UTTRLXRFEPTOOG-XNTDXEJSSA-N 0 1 445.338 3.906 40 10 IHCBMN COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cc(C)ccn3)c2C)C(=O)NC1=S ZINC000409168779 556983109 /nfs/dbraw/zinc/98/31/09/556983109.db2.gz SQLIGKPEZXPQBP-QGOAFFKASA-N 0 1 446.532 3.637 40 10 IHCBMN COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(O)cc3)c2C)C(=O)NC1=S ZINC000409173021 556984259 /nfs/dbraw/zinc/98/42/59/556984259.db2.gz KPGXEMIUMWICDR-CPNJWEJPSA-N 0 1 447.516 3.640 40 10 IHCBMN Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3Cl)C2=O)c(C)n1C[C@@H]1CCCO1 ZINC000409199065 556993498 /nfs/dbraw/zinc/99/34/98/556993498.db2.gz NMUWFIJAOXMKFK-PYJSORCASA-N 0 1 441.915 3.599 40 10 IHCBMN COc1ccc(Br)cc1/C=C1\C(=O)NC(=S)N(c2ccccc2C)C1=O ZINC000409239345 557020687 /nfs/dbraw/zinc/02/06/87/557020687.db2.gz MXVAFGRNMHADBB-GXDHUFHOSA-N 0 1 431.311 3.597 40 10 IHCBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(OC)c1OC ZINC000409231618 557023333 /nfs/dbraw/zinc/02/33/33/557023333.db2.gz DEMBENVUPZXCNE-NTEUORMPSA-N 0 1 446.912 3.506 40 10 IHCBMN COc1cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OC(F)F ZINC000409360805 557086866 /nfs/dbraw/zinc/08/68/66/557086866.db2.gz PZXLXGDXPRGWJG-JYRVWZFOSA-N 0 1 442.490 3.904 40 10 IHCBMN Cc1cc(O)c(S(=O)(=O)c2ccc(Cl)cc2)cc1NS(=O)(=O)c1ccccc1 ZINC000096300978 557194577 /nfs/dbraw/zinc/19/45/77/557194577.db2.gz TVULPBNRYHGYNF-UHFFFAOYSA-N 0 1 437.926 3.988 40 10 IHCBMN Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000100931044 557278884 /nfs/dbraw/zinc/27/88/84/557278884.db2.gz QELFWBJMUQVTSL-CJLVFECKSA-N 0 1 438.553 3.888 40 10 IHCBMN COc1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000113834668 557307636 /nfs/dbraw/zinc/30/76/36/557307636.db2.gz LXTZSIUHDPVBNW-DEDYPNTBSA-N 0 1 445.431 3.644 40 10 IHCBMN Cc1[nH]n(-c2ccc(I)cc2)c(=O)c1C=Nc1ccccc1[N+](=O)[O-] ZINC000101113081 557332977 /nfs/dbraw/zinc/33/29/77/557332977.db2.gz PZFXJPIPYGYKDN-GXDHUFHOSA-N 0 1 448.220 3.918 40 10 IHCBMN Cc1nc([C@@H]2CCCN(Cc3ccc(N4CCCCC4)cc3F)C2)ncc1C(=O)N(C)C ZINC000019763652 569238090 /nfs/dbraw/zinc/23/80/90/569238090.db2.gz KTIQHBQPONKLDN-HXUWFJFHSA-N 0 1 439.579 3.996 40 10 IHCBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCc1cccc(F)c1 ZINC000108948496 569260959 /nfs/dbraw/zinc/26/09/59/569260959.db2.gz XOSMIPCYMZSCDG-NDENLUEZSA-N 0 1 448.450 3.883 40 10 IHCBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c(OC)c1 ZINC000408723086 556150603 /nfs/dbraw/zinc/15/06/03/556150603.db2.gz QGNFRRPQIQOZMJ-NTUHNPAUSA-N 0 1 437.304 3.842 40 10 IHCBMN CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(CCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000016678462 556623276 /nfs/dbraw/zinc/62/32/76/556623276.db2.gz ADYKHXTYDMSGOQ-RCCKNPSSSA-N 0 1 430.508 3.719 40 10 IHCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1cc(Br)c(O)cc1O ZINC000083330502 556664005 /nfs/dbraw/zinc/66/40/05/556664005.db2.gz OHOVVCWUXYHQHZ-WEVVVXLNSA-N 0 1 437.246 3.671 40 10 IHCBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OC ZINC000408848894 556870314 /nfs/dbraw/zinc/87/03/14/556870314.db2.gz WUFXBQJUOOANOJ-DHZHZOJOSA-N 0 1 437.304 3.842 40 10 IHCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)c(Cl)cc1OC ZINC000409019305 556923749 /nfs/dbraw/zinc/92/37/49/556923749.db2.gz YQIMJHKSFPFOTD-OQLLNIDSSA-N 0 1 446.912 3.587 40 10 IHCBMN O=C1NC(=O)C(=Cc2cc(Cl)cc(Cl)c2OCc2cccc(Cl)c2)C(=O)N1 ZINC000409044124 556930007 /nfs/dbraw/zinc/93/00/07/556930007.db2.gz AYSLLNGHBBUPLX-UHFFFAOYSA-N 0 1 425.655 3.975 40 10 IHCBMN COc1cc(OC)c(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(OC)c1 ZINC000409065674 556941588 /nfs/dbraw/zinc/94/15/88/556941588.db2.gz IRAQEHMLNPZXSC-GXDHUFHOSA-N 0 1 446.912 3.506 40 10 IHCBMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(N2CCCC2)c(F)c1 ZINC000409094852 556950122 /nfs/dbraw/zinc/95/01/22/556950122.db2.gz GAQZVRMMRCYEIJ-MHWRWJLKSA-N 0 1 429.904 3.911 40 10 IHCBMN COc1cc(Cl)c(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1OC ZINC000409130383 556967501 /nfs/dbraw/zinc/96/75/01/556967501.db2.gz HOIGYEGWWTWIOQ-RIYZIHGNSA-N 0 1 430.913 3.805 40 10 IHCBMN COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)NC1=S ZINC000409174384 556984961 /nfs/dbraw/zinc/98/49/61/556984961.db2.gz RTKIGSKFGVWXEQ-FOWTUZBSSA-N 0 1 449.444 3.695 40 10 IHCBMN COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2ccc(C)cc2)C1=O ZINC000409229781 557016249 /nfs/dbraw/zinc/01/62/49/557016249.db2.gz UZNPZGFZBJDABH-XSFVSMFZSA-N 0 1 435.549 3.825 40 10 IHCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OC ZINC000409248592 557029414 /nfs/dbraw/zinc/02/94/14/557029414.db2.gz HGMPIYDPJSYAPD-OQLLNIDSSA-N 0 1 430.913 3.887 40 10 IHCBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(OC)c1OC ZINC000409242247 557032280 /nfs/dbraw/zinc/03/22/80/557032280.db2.gz WGFACEIORDQAEI-SFQUDFHCSA-N 0 1 440.521 3.667 40 10 IHCBMN Cc1cccc(N2C(=O)/C(=C/c3cccn3-c3ccc(N(C)C)cc3)C(=O)NC2=S)c1C ZINC000015227546 557460716 /nfs/dbraw/zinc/46/07/16/557460716.db2.gz WEWWSJWVVAJEGN-RCCKNPSSSA-N 0 1 444.560 3.991 40 10 IHCBMN CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)NC(=O)N(Cc4ccco4)C3=O)c2c1 ZINC000033318063 557807189 /nfs/dbraw/zinc/80/71/89/557807189.db2.gz NXBFTSNWWHKVIH-DEDYPNTBSA-N 0 1 434.448 3.892 40 10 IHCBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OC(=O)c1ccc(C)cc1 ZINC000059194152 557818202 /nfs/dbraw/zinc/81/82/02/557818202.db2.gz MBQBIBYIAPFNOO-ZHZULCJRSA-N 0 1 428.444 3.684 40 10 IHCBMN O=C1N[C@H](c2ccc(N3CCN(Cc4ccccc4)CC3)c([N+](=O)[O-])c2)Nc2ccccc21 ZINC000059488536 557825718 /nfs/dbraw/zinc/82/57/18/557825718.db2.gz TYSNRXXDCBCLNV-XMMPIXPASA-N 0 1 443.507 3.771 40 10 IHCBMN CCOc1cc(Cl)c(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000009260245 132311529 /nfs/dbraw/zinc/31/15/29/132311529.db2.gz JTDVUWAOPJLTMP-RIYZIHGNSA-N 0 1 434.876 3.718 40 10 IHCBMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(O)c(Br)c1 ZINC000408722094 556148467 /nfs/dbraw/zinc/14/84/67/556148467.db2.gz DJGKTLIRUSZFBH-WUXMJOGZSA-N 0 1 437.702 3.639 40 10 IHCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc(OC)c1OC ZINC000015013391 556484115 /nfs/dbraw/zinc/48/41/15/556484115.db2.gz KEVMDGHFUSXAIN-JYRVWZFOSA-N 0 1 446.912 3.506 40 10 IHCBMN CCOc1ccc(/C=C2/C(=O)NN(c3cccc(Br)c3)C2=O)cc1OCC ZINC000032099549 556528851 /nfs/dbraw/zinc/52/88/51/556528851.db2.gz UTILPFVDJDVGAY-YBEGLDIGSA-N 0 1 431.286 3.708 40 10 IHCBMN COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)c1O ZINC000095483642 556757291 /nfs/dbraw/zinc/75/72/91/556757291.db2.gz LXPXVPZNTKCSBO-GIWBLDEGSA-N 0 1 430.460 3.760 40 10 IHCBMN CCOc1cccc(N2C(=O)/C(=C\c3ccc(N4CCCC4)c(C)c3)C(=O)NC2=S)c1 ZINC000408851159 556870967 /nfs/dbraw/zinc/87/09/67/556870967.db2.gz VRLHNHYXRARPGM-ZHZULCJRSA-N 0 1 435.549 3.825 40 10 IHCBMN O=C1NC(=O)C(=Cc2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)C(=O)N1 ZINC000408882343 556878479 /nfs/dbraw/zinc/87/84/79/556878479.db2.gz QUWURTWJDFEWQV-UHFFFAOYSA-N 0 1 425.655 3.975 40 10 IHCBMN CCc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccc(N(C)C)cc2)C(=O)NC1=S ZINC000408949997 556897856 /nfs/dbraw/zinc/89/78/56/556897856.db2.gz CYSRIMXJNGNGPS-LTGZKZEYSA-N 0 1 444.560 3.937 40 10 IHCBMN COc1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc(C)c3C)C(=O)NC2=S)cc1 ZINC000409020594 556922101 /nfs/dbraw/zinc/92/21/01/556922101.db2.gz QWLBZMCCHXHMNY-XSFVSMFZSA-N 0 1 431.517 3.934 40 10 IHCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1C[C@@H]1CCCO1 ZINC000409196768 556994709 /nfs/dbraw/zinc/99/47/09/556994709.db2.gz XONRTGBEBPRVQH-JLDPKJTDSA-N 0 1 437.565 3.732 40 10 IHCBMN Cc1ccc(N2C(=O)/C(=C/C=C/c3ccccc3[N+](=O)[O-])C(=O)NC2=S)cc1Cl ZINC000409239837 557020915 /nfs/dbraw/zinc/02/09/15/557020915.db2.gz FNIGFCXNPLORRA-HUSDYWJVSA-N 0 1 427.869 3.944 40 10 IHCBMN COc1ccc2ccc(OC)c(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)c2c1 ZINC000409245683 557027297 /nfs/dbraw/zinc/02/72/97/557027297.db2.gz XMFDJQOMPAAQTL-CPNJWEJPSA-N 0 1 432.501 3.997 40 10 IHCBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(OC)c1C ZINC000409243295 557033214 /nfs/dbraw/zinc/03/32/14/557033214.db2.gz ZXYCHZQHCQAUNT-OQLLNIDSSA-N 0 1 430.913 3.805 40 10 IHCBMN O=C1OC2(CCCC2)OC(=O)C1=Cc1cc(Br)cc(Br)c1O ZINC000058866214 557812266 /nfs/dbraw/zinc/81/22/66/557812266.db2.gz XGTXSUOUDOOZKQ-UHFFFAOYSA-N 0 1 432.064 3.671 40 10 IHCBMN O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)C1=CNc1ccc2ncccc2c1 ZINC000105706152 569250336 /nfs/dbraw/zinc/25/03/36/569250336.db2.gz XQVIEMHRHQFVEU-UVTDQMKNSA-N 0 1 426.860 3.771 40 10 IHCBMN COc1cc(Br)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OC(C)C ZINC000108241633 569260948 /nfs/dbraw/zinc/26/09/48/569260948.db2.gz OTEGGXNQBPXYIE-MHWRWJLKSA-N 0 1 431.286 3.706 40 10 IHCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1cccnc1 ZINC000408791514 556857185 /nfs/dbraw/zinc/85/71/85/556857185.db2.gz ZKUJEMBSLGZRFP-UDWIEESQSA-N 0 1 430.533 3.937 40 10 IHCBMN O=C1NC(=O)C(=Cc2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)C(=O)N1 ZINC000408806020 556860980 /nfs/dbraw/zinc/86/09/80/556860980.db2.gz DTWUFGZCRWQMBH-UHFFFAOYSA-N 0 1 425.655 3.975 40 10 IHCBMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000408916317 556890549 /nfs/dbraw/zinc/89/05/49/556890549.db2.gz BTBGMJBYCLYZOM-GZTJUZNOSA-N 0 1 437.408 3.825 40 10 IHCBMN O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000409023571 556923573 /nfs/dbraw/zinc/92/35/73/556923573.db2.gz HEKBOYSSENKBCJ-BOPFTXTBSA-N 0 1 437.408 3.825 40 10 IHCBMN O=C1NC(=O)C(=Cc2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)C(=O)N1 ZINC000409045641 556930367 /nfs/dbraw/zinc/93/03/67/556930367.db2.gz GUNAPCBRWAYFHT-UHFFFAOYSA-N 0 1 425.655 3.975 40 10 IHCBMN COc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccccc3C)C(=O)NC2=S)c(OC)c1 ZINC000409122155 556961796 /nfs/dbraw/zinc/96/17/96/556961796.db2.gz ZXTQMVOFOPJDMI-QGOAFFKASA-N 0 1 447.516 3.634 40 10 IHCBMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1OCC ZINC000409220743 557016492 /nfs/dbraw/zinc/01/64/92/557016492.db2.gz FEYUVPXTXBMMAE-SDNWHVSQSA-N 0 1 430.913 3.969 40 10 IHCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccn4)c3C)C(=O)NC2=S)cc1 ZINC000409234455 557025613 /nfs/dbraw/zinc/02/56/13/557025613.db2.gz WUIVWDIXMYLOMM-XSFVSMFZSA-N 0 1 430.533 3.883 40 10 IHCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccccn1 ZINC000409247799 557028950 /nfs/dbraw/zinc/02/89/50/557028950.db2.gz NZGYGWLXYAPNOG-FOWTUZBSSA-N 0 1 436.924 3.974 40 10 IHCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OC(=O)c1ccccc1 ZINC000409408185 557107549 /nfs/dbraw/zinc/10/75/49/557107549.db2.gz JEOBZKWFDVCAGN-HKWRFOASSA-N 0 1 428.444 3.766 40 10 IHCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCC ZINC000409409248 557108294 /nfs/dbraw/zinc/10/82/94/557108294.db2.gz UTRWXHLTIGMRMH-GDNBJRDFSA-N 0 1 431.286 3.708 40 10 IHCBMN CN(C(=O)c1cn[nH]c1[C@@H]1CCCN(C(=O)[C@@H]2OCCc3ccccc32)C1)c1ccccc1 ZINC000257317470 568719012 /nfs/dbraw/zinc/71/90/12/568719012.db2.gz VJVULZWASAWSPV-NTKDMRAZSA-N 0 1 444.535 3.706 40 10 IHCBMN CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1Br ZINC000108056532 569252244 /nfs/dbraw/zinc/25/22/44/569252244.db2.gz VEYKWBFEEKZLSZ-KMHUVPDISA-N 0 1 447.285 3.881 40 10 IHCBMN O=C(COc1ccccc1/C=C1/C(=O)NN(c2ccccc2)C1=O)Nc1ccc(Cl)cc1 ZINC000107748336 569260463 /nfs/dbraw/zinc/26/04/63/569260463.db2.gz IOJQQTSACZKFKL-ZHZULCJRSA-N 0 1 447.878 3.819 40 10 IHCBMN COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000108043871 569260790 /nfs/dbraw/zinc/26/07/90/569260790.db2.gz BTPJWHCDOUNDGX-ZHZULCJRSA-N 0 1 445.431 3.644 40 10 IHCBMN COc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000108043874 569260840 /nfs/dbraw/zinc/26/08/40/569260840.db2.gz BTPJWHCDOUNDGX-XSFVSMFZSA-N 0 1 445.431 3.644 40 10 IHCBMN COc1cccc([C@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)c1O ZINC000017859185 569265731 /nfs/dbraw/zinc/26/57/31/569265731.db2.gz SYPBHEQVTDEXFB-URVUXULASA-N 0 1 434.423 3.591 40 10 IHCBMN CN(C)c1ccc([C@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000018033587 569284156 /nfs/dbraw/zinc/28/41/56/569284156.db2.gz SIFVCQCQAKWGQN-VJBWXMMDSA-N 0 1 431.467 3.943 40 10 IHCBMN CN(C)c1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000018033587 569284157 /nfs/dbraw/zinc/28/41/57/569284157.db2.gz SIFVCQCQAKWGQN-VJBWXMMDSA-N 0 1 431.467 3.943 40 10 IHCBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000408692340 556095651 /nfs/dbraw/zinc/09/56/51/556095651.db2.gz KGEUUHDMESBVHZ-DEDYPNTBSA-N 0 1 434.492 3.987 40 10 IHCBMN COc1cccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c1OC ZINC000408850268 556870549 /nfs/dbraw/zinc/87/05/49/556870549.db2.gz JUCAXSLWCOUSEM-PKNBQFBNSA-N 0 1 437.304 3.842 40 10 IHCBMN CCOc1cc(Cl)c(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc1OC ZINC000409024695 556925418 /nfs/dbraw/zinc/92/54/18/556925418.db2.gz UMKFPBLZRFRUOV-VGOFMYFVSA-N 0 1 434.876 3.718 40 10 IHCBMN COc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(C)cc3)C(=O)NC2=S)c(OC)c1 ZINC000409095836 556953130 /nfs/dbraw/zinc/95/31/30/556953130.db2.gz DLUCRLOFLOEFGB-CPNJWEJPSA-N 0 1 447.516 3.634 40 10 IHCBMN Cc1c(Cl)cccc1N1C(=O)/C(=C/C=C/c2ccccc2[N+](=O)[O-])C(=O)NC1=S ZINC000409108279 556959554 /nfs/dbraw/zinc/95/95/54/556959554.db2.gz ZHKFRPMJBMVWFP-CUJDEGIUSA-N 0 1 427.869 3.944 40 10 IHCBMN Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000409142049 556972919 /nfs/dbraw/zinc/97/29/19/556972919.db2.gz ASHWDRGQBBAVDA-FYJGNVAPSA-N 0 1 444.447 3.664 40 10 IHCBMN COc1ccccc1N1C(=O)/C(=C/c2ccc(OC(C)C)c(Cl)c2)C(=O)NC1=S ZINC000409174026 556984736 /nfs/dbraw/zinc/98/47/36/556984736.db2.gz PZAAUKMNHZJLFO-GXDHUFHOSA-N 0 1 430.913 3.967 40 10 IHCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)ccc1OC(C)C ZINC000409240203 557021263 /nfs/dbraw/zinc/02/12/63/557021263.db2.gz RWHPQGAXTRRYQN-GXDHUFHOSA-N 0 1 430.913 3.967 40 10 IHCBMN Cc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)NC1=S ZINC000409232347 557024036 /nfs/dbraw/zinc/02/40/36/557024036.db2.gz OBPCNXXZYPGDAV-ATVHPVEESA-N 0 1 433.445 3.995 40 10 IHCBMN CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(OC)c1 ZINC000409246663 557028279 /nfs/dbraw/zinc/02/82/79/557028279.db2.gz AAFVCGOCXZQWSK-CPNJWEJPSA-N 0 1 437.565 3.990 40 10 IHCBMN COc1cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)cc(Cl)c1OC ZINC000409328324 557062581 /nfs/dbraw/zinc/06/25/81/557062581.db2.gz SEYLXTOFUBKUJP-JYRVWZFOSA-N 0 1 440.955 3.965 40 10 IHCBMN CCOc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc([N+](=O)[O-])c1O ZINC000409352763 557079971 /nfs/dbraw/zinc/07/99/71/557079971.db2.gz ZDQPNHVFCXVFNF-APSNUPSMSA-N 0 1 446.462 3.834 40 10 IHCBMN COc1cccc([C@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)c1O ZINC000102732759 557131695 /nfs/dbraw/zinc/13/16/95/557131695.db2.gz SYPBHEQVTDEXFB-RZUBCFFCSA-N 0 1 434.423 3.591 40 10 IHCBMN O=C(Cn1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c2ccccc21)NC1CC1 ZINC000059087199 557813766 /nfs/dbraw/zinc/81/37/66/557813766.db2.gz PPDPGDYCGYTGRK-XDHOZWIPSA-N 0 1 434.496 3.555 40 10 IHCBMN COc1ccc(N2C(=O)/C(=C\c3cccn3-c3ccc(Cl)cc3)C(=O)NC2=S)cc1 ZINC000006405195 536659948 /nfs/dbraw/zinc/65/99/48/536659948.db2.gz VEDZYRAAGAMWHG-UYRXBGFRSA-N 0 1 437.908 3.971 40 10 IHCBMN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1C(N)=O ZINC000408584547 555937246 /nfs/dbraw/zinc/93/72/46/555937246.db2.gz RDUUSVOGLWLYSI-UHFFFAOYSA-N 0 1 428.897 3.779 40 10 IHCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OC(C)C ZINC000408884705 556877681 /nfs/dbraw/zinc/87/76/81/556877681.db2.gz UYARFHGSLOPDAW-DHDCSXOGSA-N 0 1 430.913 3.967 40 10 IHCBMN COc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1 ZINC000408954629 556899060 /nfs/dbraw/zinc/89/90/60/556899060.db2.gz UFLCRGPTENSINZ-XSFVSMFZSA-N 0 1 431.517 3.934 40 10 IHCBMN CCOc1cccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)c(F)c3)C(=O)NC2=S)c1 ZINC000409073412 556946459 /nfs/dbraw/zinc/94/64/59/556946459.db2.gz HNFMVRDYMAENFC-LDADJPATSA-N 0 1 439.512 3.656 40 10 IHCBMN COc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCCCC3)c(F)c2)C(=O)NC1=S ZINC000409167415 556982666 /nfs/dbraw/zinc/98/26/66/556982666.db2.gz JYNXMZMGTVPITM-DTQAZKPQSA-N 0 1 439.512 3.656 40 10 IHCBMN COc1ccccc1N1C(=O)/C(=C\c2cc(C)n(-c3ccccc3)c2C)C(=O)NC1=S ZINC000409171504 556983505 /nfs/dbraw/zinc/98/35/05/556983505.db2.gz CKPXGYXRHHRMKS-RGEXLXHISA-N 0 1 431.517 3.934 40 10 IHCBMN Cc1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1C ZINC000409195264 556993722 /nfs/dbraw/zinc/99/37/22/556993722.db2.gz NZZQTOOKVZTBFK-UNOMPAQXSA-N 0 1 436.468 3.715 40 10 IHCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(C)cn1 ZINC000409249347 557029863 /nfs/dbraw/zinc/02/98/63/557029863.db2.gz KGYLXWIYGNGCDG-XDHOZWIPSA-N 0 1 430.533 3.937 40 10 IHCBMN CCc1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)C(=O)NC2=S)cc1 ZINC000409379399 557094280 /nfs/dbraw/zinc/09/42/80/557094280.db2.gz WSVPREMDNPYVHR-XSFVSMFZSA-N 0 1 446.488 3.779 40 10 IHCBMN Cc1nc2cc([C@@H]3CCCN3Cc3ccccc3O)nn2c(C)c1CCC(=O)NC1CC1 ZINC000257279004 568701735 /nfs/dbraw/zinc/70/17/35/568701735.db2.gz OENYVGVJYQODIH-QFIPXVFZSA-N 0 1 433.556 3.600 40 10 IHCBMN COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(C4CCCC4)C3=O)c2C)c(C)c1 ZINC000408692780 556092438 /nfs/dbraw/zinc/09/24/38/556092438.db2.gz VEAZXLOSXWUCGQ-DEDYPNTBSA-N 0 1 449.507 3.594 40 10 IHCBMN COc1ccc(N2CCN(C[C@H](O)COc3ccc(OC)cc3C(C)(C)C)CC2)cc1 ZINC000033541676 556565617 /nfs/dbraw/zinc/56/56/17/556565617.db2.gz KNWFGOVAOQCELR-FQEVSTJZSA-N 0 1 428.573 3.563 40 10 IHCBMN CCOC(=O)c1ccc(N2NC(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)C2=O)cc1 ZINC000016687840 556625717 /nfs/dbraw/zinc/62/57/17/556625717.db2.gz HGRKNRWXOZTLME-KQWNVCNZSA-N 0 1 442.471 3.904 40 10 IHCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1OC ZINC000016688303 556626395 /nfs/dbraw/zinc/62/63/95/556626395.db2.gz SKAMCHCFZRVBOP-OQLLNIDSSA-N 0 1 446.912 3.587 40 10 IHCBMN O=C1NC(=O)C(=Cc2cn(CCSc3ccc(Cl)cc3)c3ccccc23)C(=O)N1 ZINC000408775535 556848725 /nfs/dbraw/zinc/84/87/25/556848725.db2.gz UGVRGYABIPZAHH-UHFFFAOYSA-N 0 1 425.897 3.836 40 10 IHCBMN O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000409024453 556925410 /nfs/dbraw/zinc/92/54/10/556925410.db2.gz YNYBEEUSLJTEAL-WJDWOHSUSA-N 0 1 437.408 3.825 40 10 IHCBMN COc1cc(Cl)c(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1OC ZINC000409228956 557015613 /nfs/dbraw/zinc/01/56/13/557015613.db2.gz HQMIRAJVCKICNM-YRNVUSSQSA-N 0 1 437.304 3.842 40 10 IHCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1cccnc1 ZINC000409249647 557030081 /nfs/dbraw/zinc/03/00/81/557030081.db2.gz NTPDYCWAIBQFQF-UDWIEESQSA-N 0 1 430.533 3.937 40 10 IHCBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OC(C)C ZINC000409405054 557106037 /nfs/dbraw/zinc/10/60/37/557106037.db2.gz GAIVHUXDIFXGLB-DHDCSXOGSA-N 0 1 431.286 3.706 40 10 IHCBMN CCOC(=O)c1ccc(NC(=S)NCc2ccc(N3CCN(C)CC3)cc2)cc1Cl ZINC000225777045 557776310 /nfs/dbraw/zinc/77/63/10/557776310.db2.gz NRVAHRLZYRDZSL-UHFFFAOYSA-N 0 1 447.004 3.755 40 10 IHCBMN CN(C(=O)c1cn[nH]c1[C@H]1CCCN(C(=O)[C@@H]2OCCc3ccccc32)C1)c1ccccc1 ZINC000257317471 568718887 /nfs/dbraw/zinc/71/88/87/568718887.db2.gz VJVULZWASAWSPV-YADARESESA-N 0 1 444.535 3.706 40 10 IHCBMN COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1cccc([N+](=O)[O-])c1 ZINC000033668580 569259550 /nfs/dbraw/zinc/25/95/50/569259550.db2.gz WTUKLKXITMLWSG-ZHZULCJRSA-N 0 1 445.431 3.644 40 10 IHCBMN Cc1cccc(COc2c(/C=C3/C(=O)NN(c4ccccc4)C3=O)cccc2[N+](=O)[O-])c1 ZINC000033720789 569259786 /nfs/dbraw/zinc/25/97/86/569259786.db2.gz PDXMHWCLXBIRFW-ZHZULCJRSA-N 0 1 429.432 3.944 40 10 IHCBMN COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)c1O ZINC000017751959 569265219 /nfs/dbraw/zinc/26/52/19/569265219.db2.gz LXPXVPZNTKCSBO-FUDKSRODSA-N 0 1 430.460 3.760 40 10 IHCBMN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000137071041 556694252 /nfs/dbraw/zinc/69/42/52/556694252.db2.gz AQIDDDUZXRVUOJ-UHFFFAOYSA-N 0 1 449.937 3.775 40 10 IHCBMN CCc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(OC)cc3)C(=O)NC2=S)cc1 ZINC000408954228 556898899 /nfs/dbraw/zinc/89/88/99/556898899.db2.gz RZQVOABQKQBUFG-RCCKNPSSSA-N 0 1 431.517 3.880 40 10 IHCBMN CCOc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc1OC ZINC000409021945 556922477 /nfs/dbraw/zinc/92/24/77/556922477.db2.gz AVJIOOQSYQSUJH-VGOFMYFVSA-N 0 1 434.876 3.718 40 10 IHCBMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1OC ZINC000409105379 556958560 /nfs/dbraw/zinc/95/85/60/556958560.db2.gz IWZGDAVDIAVRKI-GXDHUFHOSA-N 0 1 430.913 3.887 40 10 IHCBMN CC[C@H](C)Oc1c(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cccc1OC ZINC000409168693 556983134 /nfs/dbraw/zinc/98/31/34/556983134.db2.gz RODPMQWNIFMQIN-BXWAGETQSA-N 0 1 440.521 3.712 40 10 IHCBMN CC[C@@H](C)Oc1c(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cccc1OC ZINC000409168694 556983169 /nfs/dbraw/zinc/98/31/69/556983169.db2.gz RODPMQWNIFMQIN-LBFFYKKLSA-N 0 1 440.521 3.712 40 10 IHCBMN COc1ccccc1N1C(=O)C(=Cc2ccc(-c3ccc(C(C)=O)cc3)o2)C(=O)NC1=S ZINC000409168831 556983245 /nfs/dbraw/zinc/98/32/45/556983245.db2.gz UKYSJWWKVMWFAK-QGOAFFKASA-N 0 1 446.484 3.989 40 10 IHCBMN CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc1OC ZINC000409173455 556984535 /nfs/dbraw/zinc/98/45/35/556984535.db2.gz NMXPUWSSXFKUKE-RGHBXIHOSA-N 0 1 440.521 3.712 40 10 IHCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc(OC)c1OC ZINC000409236336 557018204 /nfs/dbraw/zinc/01/82/04/557018204.db2.gz FFUQHQAUBMBVAK-LICLKQGHSA-N 0 1 440.521 3.667 40 10 IHCBMN COc1cc(N2CCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2cc(C)ccc2C)C1=O ZINC000409236620 557018546 /nfs/dbraw/zinc/01/85/46/557018546.db2.gz SIRFGMOVSFSDAG-CPNJWEJPSA-N 0 1 435.549 3.744 40 10 IHCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OC(C)C ZINC000409371095 557089689 /nfs/dbraw/zinc/08/96/89/557089689.db2.gz AZKJXMABINEWRY-OVCLIPMQSA-N 0 1 432.860 3.781 40 10 IHCBMN O=C(c1ccco1)c1coc2ccc([O-])c(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)c12 ZINC000218078354 557176494 /nfs/dbraw/zinc/17/64/94/557176494.db2.gz RPYTXNJABMZOIK-JKSUJKDBSA-N 0 1 430.460 3.743 40 10 IHCBMN Cc1cc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000009259575 556267682 /nfs/dbraw/zinc/26/76/82/556267682.db2.gz ZUYRBGHWSOJHHD-JCMHNJIXSA-N 0 1 434.540 3.955 40 10 IHCBMN CCOc1cccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3C)C(=O)NC2=S)c1 ZINC000408961363 556900878 /nfs/dbraw/zinc/90/08/78/556900878.db2.gz SCJCVEWAAWVWKZ-KGENOOAVSA-N 0 1 435.549 3.825 40 10 IHCBMN COc1cccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c1OC(C)C ZINC000409014474 556920219 /nfs/dbraw/zinc/92/02/19/556920219.db2.gz PMFNGMXNNQXDTL-MHWRWJLKSA-N 0 1 430.913 3.967 40 10 IHCBMN Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)ccc21 ZINC000019936618 556951206 /nfs/dbraw/zinc/95/12/06/556951206.db2.gz JRXIBCOOKDOHOV-UHFFFAOYSA-N 0 1 442.880 3.817 40 10 IHCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3O)C2=O)cc1OC ZINC000409135885 556969345 /nfs/dbraw/zinc/96/93/45/556969345.db2.gz WGKFRDREUGAZOQ-LFIBNONCSA-N 0 1 444.871 3.505 40 10 IHCBMN CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409200265 556999577 /nfs/dbraw/zinc/99/95/77/556999577.db2.gz HTVMSFYEJISFKH-LDADJPATSA-N 0 1 446.419 3.642 40 10 IHCBMN CCc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccccn3)c2C)C(=O)NC1=S ZINC000409235858 557018008 /nfs/dbraw/zinc/01/80/08/557018008.db2.gz CQRMAKFIOWHPSR-XMHGGMMESA-N 0 1 430.533 3.883 40 10 IHCBMN COc1cccc([C@H]2[C@H]3C(=O)N(c4ccccc4C)C(=O)[C@@H]3ON2c2ccccc2)c1O ZINC000102729694 557131782 /nfs/dbraw/zinc/13/17/82/557131782.db2.gz TWGRPKZELCYRLM-FUPPJEDESA-N 0 1 430.460 3.760 40 10 IHCBMN CCOC(=O)c1cc(NC(=S)NCc2ccc(N3CCN(C)CC3)cc2)ccc1Cl ZINC000225777019 557776254 /nfs/dbraw/zinc/77/62/54/557776254.db2.gz COPAATAJBWFHLI-UHFFFAOYSA-N 0 1 447.004 3.755 40 10 IHCBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCc1ccc(F)cc1 ZINC000033430099 569259352 /nfs/dbraw/zinc/25/93/52/569259352.db2.gz PNNFNEUVPCHICU-NDENLUEZSA-N 0 1 448.450 3.883 40 10 IHCBMN Cc1ccc(COc2c(/C=C3/C(=O)NN(c4ccccc4)C3=O)cccc2[N+](=O)[O-])cc1 ZINC000033720791 569259791 /nfs/dbraw/zinc/25/97/91/569259791.db2.gz NQZXXUHDNBBITA-ZHZULCJRSA-N 0 1 429.432 3.944 40 10 IHCBMN COc1ccc(NC=C2C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1Cl ZINC000408551189 555858908 /nfs/dbraw/zinc/85/89/08/555858908.db2.gz MDSUERCXOVZBEI-FLIBITNWSA-N 0 1 440.283 3.885 40 10 IHCBMN Cc1nn(-c2ccc(C)cc2C)c(C)c1/C=C1\C(=O)NC(=O)N(CCc2ccccc2)C1=O ZINC000408757933 556587419 /nfs/dbraw/zinc/58/74/19/556587419.db2.gz SMCSUCVDEXUDIC-PXLXIMEGSA-N 0 1 442.519 3.810 40 10 IHCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(O)cc1 ZINC000409019697 556924047 /nfs/dbraw/zinc/92/40/47/556924047.db2.gz WGZJMWWNNFNMJN-RGVLZGJSSA-N 0 1 435.480 3.770 40 10 IHCBMN COc1ccc(N2C(=O)/C(=C/c3ccc(OC)c4ccccc34)C(=O)NC2=S)c(OC)c1 ZINC000409100670 556955183 /nfs/dbraw/zinc/95/51/83/556955183.db2.gz RJLIPAUMLCNBMF-LDADJPATSA-N 0 1 448.500 3.697 40 10 IHCBMN COc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccc(C)cc2C)C(=O)NC1=S ZINC000409172096 556984022 /nfs/dbraw/zinc/98/40/22/556984022.db2.gz HGILGZHZXMPKHM-NBVRZTHBSA-N 0 1 431.517 3.934 40 10 IHCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccccc3OC)C2=O)cc1OCC ZINC000409189540 556995746 /nfs/dbraw/zinc/99/57/46/556995746.db2.gz HQTMPIQWMZGDDW-NBVRZTHBSA-N 0 1 438.480 3.545 40 10 IHCBMN CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(C4CCCC4)C3=O)c2C)cc1 ZINC000409205341 557003397 /nfs/dbraw/zinc/00/33/97/557003397.db2.gz PVYLGNNTEOKGAJ-STZFKDTASA-N 0 1 449.507 3.675 40 10 IHCBMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(OCC)c1 ZINC000409237308 557019195 /nfs/dbraw/zinc/01/91/95/557019195.db2.gz HWUSANFOWOOYHV-RVDMUPIBSA-N 0 1 430.913 3.969 40 10 IHCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCc1ccccc1 ZINC000409372303 557089982 /nfs/dbraw/zinc/08/99/82/557089982.db2.gz JYPSSYOEXAAAAL-DEDYPNTBSA-N 0 1 446.459 3.919 40 10 IHCBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OC(C)C ZINC000096893032 557838785 /nfs/dbraw/zinc/83/87/85/557838785.db2.gz FBRHJWLBNNEGNP-DHDCSXOGSA-N 0 1 431.286 3.706 40 10 IHCBMN Cc1nc2cc([C@H]3CCCN3Cc3ccccc3O)nn2c(C)c1CCC(=O)N1CCCC1 ZINC000257270425 568697716 /nfs/dbraw/zinc/69/77/16/568697716.db2.gz MUDYRNKPEGFXRY-HSZRJFAPSA-N 0 1 447.583 3.944 40 10 IHCBMN CN(C(=O)c1cn[nH]c1[C@H]1CCCN(C(=O)[C@H]2OCCc3ccccc32)C1)c1ccccc1 ZINC000257317468 568718877 /nfs/dbraw/zinc/71/88/77/568718877.db2.gz VJVULZWASAWSPV-CYFREDJKSA-N 0 1 444.535 3.706 40 10 IHCBMN COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]3ON2c2ccccc2)c1O ZINC000017918799 569282006 /nfs/dbraw/zinc/28/20/06/569282006.db2.gz TWGRPKZELCYRLM-FUDKSRODSA-N 0 1 430.460 3.760 40 10 IHCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000408692222 556095030 /nfs/dbraw/zinc/09/50/30/556095030.db2.gz HPNMJXLOWSVNIO-DEDYPNTBSA-N 0 1 435.436 3.578 40 10 IHCBMN CCOc1cccc(N2C(=O)/C(=C/c3cccc(Br)c3)C(=O)NC2=S)c1 ZINC000408740212 556211966 /nfs/dbraw/zinc/21/19/66/556211966.db2.gz DVURNKLSKNQEDY-MHWRWJLKSA-N 0 1 431.311 3.679 40 10 IHCBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c(C)c1 ZINC000408741341 556213904 /nfs/dbraw/zinc/21/39/04/556213904.db2.gz LIAYYPHFCHWJCK-CXUHLZMHSA-N 0 1 431.311 3.597 40 10 IHCBMN COc1cc(OC)c(OC)cc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2C)C1=O ZINC000409093539 556949539 /nfs/dbraw/zinc/94/95/39/556949539.db2.gz ACTVEYONOONTKS-MDWZMJQESA-N 0 1 446.912 3.506 40 10 IHCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000409197060 556994717 /nfs/dbraw/zinc/99/47/17/556994717.db2.gz VBHUFMGWORCZJT-UVTDQMKNSA-N 0 1 429.816 3.913 40 10 IHCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1O ZINC000409234619 557025935 /nfs/dbraw/zinc/02/59/35/557025935.db2.gz ODUMWLZOJNKKJD-RIYZIHGNSA-N 0 1 436.411 3.641 40 10 IHCBMN COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccccc2)c1O ZINC000102728793 557131689 /nfs/dbraw/zinc/13/16/89/557131689.db2.gz LXPXVPZNTKCSBO-QNWVGRARSA-N 0 1 430.460 3.760 40 10 IHCBMN CC(C)OC(=O)COc1ccc2ccccc2c1/C=C1/C(=O)NN(c2ccccc2)C1=O ZINC000033525667 569259346 /nfs/dbraw/zinc/25/93/46/569259346.db2.gz IDXOZBSGRLSWBQ-STZFKDTASA-N 0 1 430.460 3.632 40 10 IHCBMN O=C(COc1ccc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O)Nc1ccccc1 ZINC000107833389 569260649 /nfs/dbraw/zinc/26/06/49/569260649.db2.gz GDYSLBBQMYLLGU-ZHZULCJRSA-N 0 1 447.878 3.819 40 10 IHCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(N(CC)CC)cc3OC)C(=O)NC2=S)cc1 ZINC000108934041 569260935 /nfs/dbraw/zinc/26/09/35/569260935.db2.gz KBBJWXRGPYFHLL-XSFVSMFZSA-N 0 1 437.565 3.935 40 10 IHCBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408692778 556092328 /nfs/dbraw/zinc/09/23/28/556092328.db2.gz VDQOMSAIWXIEHD-DEDYPNTBSA-N 0 1 435.436 3.578 40 10 IHCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1N1CCCCC1 ZINC000016269094 556596264 /nfs/dbraw/zinc/59/62/64/556596264.db2.gz KJIMMDOFLAYTFB-KGENOOAVSA-N 0 1 436.581 3.675 40 10 IHCBMN COc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)NC2=S)cc1 ZINC000408766146 556829728 /nfs/dbraw/zinc/82/97/28/556829728.db2.gz PGWZSHSBURAYHF-PDGQHHTCSA-N 0 1 449.444 3.695 40 10 IHCBMN Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(N(C)C)cc3)C(=O)NC2=S)c(C)c1 ZINC000408955494 556899348 /nfs/dbraw/zinc/89/93/48/556899348.db2.gz XLHJYVABFBNVMF-RCCKNPSSSA-N 0 1 444.560 3.991 40 10 IHCBMN Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000408993005 556912679 /nfs/dbraw/zinc/91/26/79/556912679.db2.gz UMKSLFXVGAXPHH-UHFFFAOYSA-N 0 1 433.439 3.562 40 10 IHCBMN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc([N+](=O)[O-])c1O ZINC000409037340 556929008 /nfs/dbraw/zinc/92/90/08/556929008.db2.gz NEZLNDDDZOLXNY-FPYGCLRLSA-N 0 1 443.284 3.811 40 10 IHCBMN CC[C@@H](C)Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccc(OC)cc2OC)C1=O ZINC000409095148 556950351 /nfs/dbraw/zinc/95/03/51/556950351.db2.gz GYCQPNOILMNDLI-RFRKOGIWSA-N 0 1 440.521 3.712 40 10 IHCBMN COc1ccc2ccc(OC)c(/C=C3\C(=O)NC(=S)N(c4ccccc4OC)C3=O)c2c1 ZINC000409166829 556982460 /nfs/dbraw/zinc/98/24/60/556982460.db2.gz GZMAZZDPSQAFDR-QGOAFFKASA-N 0 1 448.500 3.697 40 10 IHCBMN COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(C)cn3)c2C)C(=O)NC1=S ZINC000409167808 556982651 /nfs/dbraw/zinc/98/26/51/556982651.db2.gz NMERYTFNMPLKMC-LDADJPATSA-N 0 1 446.532 3.637 40 10 IHCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccccn1 ZINC000409249361 557030068 /nfs/dbraw/zinc/03/00/68/557030068.db2.gz UEEUNZAQZCBBDR-WOJGMQOQSA-N 0 1 436.924 3.974 40 10 IHCBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OC(=O)c1cccc(C)c1 ZINC000409410589 557103485 /nfs/dbraw/zinc/10/34/85/557103485.db2.gz YBBSFUHVMJOPTR-ZHZULCJRSA-N 0 1 428.444 3.684 40 10 IHCBMN C/C=C/c1cc(/C=C2/C(=O)NC(=S)N(c3cccc(OCC)c3)C2=O)cc(OC)c1O ZINC000059565401 557823972 /nfs/dbraw/zinc/82/39/72/557823972.db2.gz OWLQEOQFOSTYSW-NDPDXPSBSA-N 0 1 438.505 3.664 40 10 IHCBMN Cc1nc2cc([C@@H]3CCCN3Cc3ccccc3O)nn2c(C)c1CCC(=O)N1CCCC1 ZINC000257270426 568697672 /nfs/dbraw/zinc/69/76/72/568697672.db2.gz MUDYRNKPEGFXRY-QHCPKHFHSA-N 0 1 447.583 3.944 40 10 IHCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OC)cc3Cl)C(=O)NC2=S)cc1 ZINC000107802848 569251350 /nfs/dbraw/zinc/25/13/50/569251350.db2.gz KGQZGEKUAIWLET-OQLLNIDSSA-N 0 1 430.913 3.751 40 10 IHCBMN O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)C1=CNC12CC3CC(CC(C3)C1)C2 ZINC000408550744 555852010 /nfs/dbraw/zinc/85/20/10/555852010.db2.gz JNENFTWEXKAMHK-GDNBJRDFSA-N 0 1 433.936 3.669 40 10 IHCBMN COc1ccc(OC)c(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c1 ZINC000408855636 556871963 /nfs/dbraw/zinc/87/19/63/556871963.db2.gz HPYOYYFBGNBCBR-FMIVXFBMSA-N 0 1 437.304 3.842 40 10 IHCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c(C)n1-c1cc(C)ccn1 ZINC000409016315 556921262 /nfs/dbraw/zinc/92/12/62/556921262.db2.gz GWRLPRGOADQDTQ-YBFXNURJSA-N 0 1 434.496 3.768 40 10 IHCBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(C(C)(C)C)c3C)C(=O)NC2=S)c(OC)c1 ZINC000409065529 556941370 /nfs/dbraw/zinc/94/13/70/556941370.db2.gz MIWCQMUJCNNFPE-GZTJUZNOSA-N 0 1 441.553 3.708 40 10 IHCBMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(N2CCCC2)c(F)c1 ZINC000409097410 556953496 /nfs/dbraw/zinc/95/34/96/556953496.db2.gz IIVLTKGCHBHHJT-LFIBNONCSA-N 0 1 429.904 3.911 40 10 IHCBMN COc1ccc(N2C(=O)/C(=C\c3c(OC)ccc4ccccc43)C(=O)NC2=S)c(OC)c1 ZINC000409121841 556961842 /nfs/dbraw/zinc/96/18/42/556961842.db2.gz YCURUSJGDXOWSP-AQTBWJFISA-N 0 1 448.500 3.697 40 10 IHCBMN Cc1cccc(N2C(=O)/C(=C/c3ccc(O)c(Br)c3)C(=O)NC2=S)c1C ZINC000409130039 556967261 /nfs/dbraw/zinc/96/72/61/556967261.db2.gz TWSWKNSVPQXKLM-MDWZMJQESA-N 0 1 431.311 3.603 40 10 IHCBMN COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2ccccc2C)C1=O ZINC000409229385 557015747 /nfs/dbraw/zinc/01/57/47/557015747.db2.gz OJBWHIQSXLZINJ-XMHGGMMESA-N 0 1 435.549 3.825 40 10 IHCBMN COc1cc(N2CCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2ccccc2Cl)C1=O ZINC000409239678 557020975 /nfs/dbraw/zinc/02/09/75/557020975.db2.gz IIHOGCXSFLXYAA-FOWTUZBSSA-N 0 1 441.940 3.780 40 10 IHCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc(Cl)c1OC ZINC000409231476 557023364 /nfs/dbraw/zinc/02/33/64/557023364.db2.gz KPXKSKRWCXUNBA-NTEUORMPSA-N 0 1 430.913 3.887 40 10 IHCBMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(N2CCCC2)c(F)c1 ZINC000409233254 557024701 /nfs/dbraw/zinc/02/47/01/557024701.db2.gz UKGYSKLOQHNRJW-SDNWHVSQSA-N 0 1 429.904 3.911 40 10 IHCBMN COc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc1 ZINC000409249727 557030275 /nfs/dbraw/zinc/03/02/75/557030275.db2.gz OEBJHHYJKBZTQQ-XSFVSMFZSA-N 0 1 431.517 3.934 40 10 IHCBMN COc1cccc([C@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)c1O ZINC000102732754 557131705 /nfs/dbraw/zinc/13/17/05/557131705.db2.gz SYPBHEQVTDEXFB-JAXLGGSGSA-N 0 1 434.423 3.591 40 10 IHCBMN COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000113833505 557307281 /nfs/dbraw/zinc/30/72/81/557307281.db2.gz TVOVFNXETJKNEN-CPNJWEJPSA-N 0 1 445.431 3.644 40 10 IHCBMN O=C(COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1)Nc1ccc(Cl)cc1 ZINC000035128738 569260161 /nfs/dbraw/zinc/26/01/61/569260161.db2.gz DFUMWEMSYZJEKD-STZFKDTASA-N 0 1 447.878 3.819 40 10 IHCBMN CCOc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c(Br)cc1O ZINC000038177837 569260216 /nfs/dbraw/zinc/26/02/16/569260216.db2.gz GTYFQTPNOYQQAO-WUXMJOGZSA-N 0 1 435.230 3.649 40 10 IHCBMN Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C(=O)NC2=S)cc1 ZINC000006798471 132279157 /nfs/dbraw/zinc/27/91/57/132279157.db2.gz CYDWJUMFJYHHHA-ATVHPVEESA-N 0 1 433.445 3.995 40 10 IHCBMN CCc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccc(OC)cc2)C(=O)NC1=S ZINC000009311844 132313483 /nfs/dbraw/zinc/31/34/83/132313483.db2.gz GHDQVUQZWGXGRM-HMMYKYKNSA-N 0 1 431.517 3.880 40 10 IHCBMN CCn1c(C)cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c1C ZINC000015013515 556484594 /nfs/dbraw/zinc/48/45/94/556484594.db2.gz SMRJFMKBRCQYDX-YBEGLDIGSA-N 0 1 432.343 3.719 40 10 IHCBMN CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OCC)c(O)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000016691691 556627374 /nfs/dbraw/zinc/62/73/74/556627374.db2.gz YVILGMXFOTWHFY-DHDCSXOGSA-N 0 1 441.396 3.605 40 10 IHCBMN COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)NC2=S)cc1 ZINC000408762535 556828940 /nfs/dbraw/zinc/82/89/40/556828940.db2.gz OWKJCGNCNSWMKR-PDGQHHTCSA-N 0 1 449.444 3.695 40 10 IHCBMN O=C1NC(=O)C(=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)C(=O)N1 ZINC000408804970 556860449 /nfs/dbraw/zinc/86/04/49/556860449.db2.gz HXBBPLYBTZTEJN-UHFFFAOYSA-N 0 1 425.655 3.975 40 10 IHCBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(OC)c1C ZINC000409088283 556951136 /nfs/dbraw/zinc/95/11/36/556951136.db2.gz KSJJIZZPBZCNEF-GXDHUFHOSA-N 0 1 430.913 3.805 40 10 IHCBMN CCOc1cccc(N2C(=O)/C(=C/c3cc(Cl)ccc3OCC)C(=O)NC2=S)c1 ZINC000409103631 556952129 /nfs/dbraw/zinc/95/21/29/556952129.db2.gz DPDBXNJYKZHMTI-GZTJUZNOSA-N 0 1 430.913 3.969 40 10 IHCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(O)c(Cl)c3)C2=O)cc1OC ZINC000409128520 556966518 /nfs/dbraw/zinc/96/65/18/556966518.db2.gz FHUFVZDXGKCWMO-OQLLNIDSSA-N 0 1 444.871 3.505 40 10 IHCBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1Br ZINC000409138919 556971025 /nfs/dbraw/zinc/97/10/25/556971025.db2.gz JXCUUGWJHPJARC-NTEUORMPSA-N 0 1 445.338 3.906 40 10 IHCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)c(Cl)cc1OC ZINC000409169743 556980404 /nfs/dbraw/zinc/98/04/04/556980404.db2.gz ZAQSWRJJEVHWOT-UKTHLTGXSA-N 0 1 446.912 3.587 40 10 IHCBMN COc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccc(Cl)cc2)C(=O)NC1=S ZINC000409173603 556984480 /nfs/dbraw/zinc/98/44/80/556984480.db2.gz MEWNICGDPQKMLM-GHRIWEEISA-N 0 1 437.908 3.971 40 10 IHCBMN CCOc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C1=O)OCO2 ZINC000409221528 557016859 /nfs/dbraw/zinc/01/68/59/557016859.db2.gz RORUODIKXMQJKI-MKMNVTDBSA-N 0 1 444.896 3.607 40 10 IHCBMN COc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1 ZINC000409240812 557021942 /nfs/dbraw/zinc/02/19/42/557021942.db2.gz IDWUITVAPVQYGT-GHRIWEEISA-N 0 1 437.908 3.971 40 10 IHCBMN COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCc1cccc(C)c1 ZINC000409372164 557089738 /nfs/dbraw/zinc/08/97/38/557089738.db2.gz JCRHSAYZBFJACN-UDWIEESQSA-N 0 1 446.459 3.838 40 10 IHCBMN Cc1cccc(COc2ccc([N+](=O)[O-])cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 ZINC000409401452 557102020 /nfs/dbraw/zinc/10/20/20/557102020.db2.gz YOLLFASIHBTUGL-STZFKDTASA-N 0 1 429.432 3.944 40 10 IHCBMN CCOC(=O)[C@@H](C)Oc1ccc2ccccc2c1/C=C1/C(=O)NN(c2ccccc2)C1=O ZINC000033410700 569259272 /nfs/dbraw/zinc/25/92/72/569259272.db2.gz VJGHLUHKEFWWKH-KQRQPNSISA-N 0 1 430.460 3.632 40 10 IHCBMN CN(C)c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(OCc2ccccc2C#N)c1 ZINC000033718988 569259814 /nfs/dbraw/zinc/25/98/14/569259814.db2.gz UCUKPWPRMAUIEK-UCQKPKSFSA-N 0 1 438.487 3.665 40 10 IHCBMN O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc([N+](=O)[O-])cc1O ZINC000008820360 556220459 /nfs/dbraw/zinc/22/04/59/556220459.db2.gz SOTYGYAJFJOUEK-GUSDSWBTSA-N 0 1 441.490 3.697 40 10 IHCBMN CCn1c(C)cc(/C=C2/C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c1C ZINC000015013468 556484601 /nfs/dbraw/zinc/48/46/01/556484601.db2.gz IMLDBRWECBOTAQ-SXGWCWSVSA-N 0 1 432.343 3.719 40 10 IHCBMN COc1ccc(N2CCN(C[C@@H](O)COc3ccc(OC)cc3C(C)(C)C)CC2)cc1 ZINC000033541675 556565620 /nfs/dbraw/zinc/56/56/20/556565620.db2.gz KNWFGOVAOQCELR-HXUWFJFHSA-N 0 1 428.573 3.563 40 10 IHCBMN Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(Br)o2)C(=O)NC1=S ZINC000409103549 556952157 /nfs/dbraw/zinc/95/21/57/556952157.db2.gz DIFPWRLBUVXOAX-JXMROGBWSA-N 0 1 425.691 3.835 40 10 IHCBMN COc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccc(C)c(C)c2)C(=O)NC1=S ZINC000409173761 556984729 /nfs/dbraw/zinc/98/47/29/556984729.db2.gz RMHIFENMVXCRDO-XMHGGMMESA-N 0 1 431.517 3.934 40 10 IHCBMN COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2cccc(C)c2)C1=O ZINC000409232504 557024481 /nfs/dbraw/zinc/02/44/81/557024481.db2.gz IUVFNSVURPLUFU-XSFVSMFZSA-N 0 1 435.549 3.825 40 10 IHCBMN CCOc1cc(Cl)c(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1OC ZINC000409233045 557024594 /nfs/dbraw/zinc/02/45/94/557024594.db2.gz CZUBVENDJPZQJV-NTEUORMPSA-N 0 1 430.913 3.887 40 10 IHCBMN COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2ccccc2F)C1=O ZINC000409241554 557031660 /nfs/dbraw/zinc/03/16/60/557031660.db2.gz OKCLDMOMXLUSLE-GHRIWEEISA-N 0 1 439.512 3.656 40 10 IHCBMN COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000113834181 557307567 /nfs/dbraw/zinc/30/75/67/557307567.db2.gz QORBNOMPROPUBN-DEDYPNTBSA-N 0 1 445.431 3.644 40 10 IHCBMN O=C1N[C@@H](c2ccc(N3CCN(Cc4ccccc4)CC3)c([N+](=O)[O-])c2)Nc2ccccc21 ZINC000059488537 557825709 /nfs/dbraw/zinc/82/57/09/557825709.db2.gz TYSNRXXDCBCLNV-DEOSSOPVSA-N 0 1 443.507 3.771 40 10 IHCBMN COc1ccc(Oc2ccc(NC=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)cc2)cc1 ZINC000110474743 569253547 /nfs/dbraw/zinc/25/35/47/569253547.db2.gz KMFBEKTVWKIMLK-MOSHPQCFSA-N 0 1 433.420 3.655 40 10 IHCBMN Cc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc2n1-c1ccc([N+](=O)[O-])cn1 ZINC000107921929 569260693 /nfs/dbraw/zinc/26/06/93/569260693.db2.gz VAWQVPUGPXNMPA-MOSHPQCFSA-N 0 1 439.431 3.704 40 10 IHCBMN COc1ccc(N2C(=O)/C(=C\c3cccn3-c3cccc(C)c3)C(=O)NC2=S)c(OC)c1 ZINC000001127265 524387122 /nfs/dbraw/zinc/38/71/22/524387122.db2.gz NVFLNMWZDROVTE-UYRXBGFRSA-N 0 1 447.516 3.634 40 10 IHCBMN O=C1NC(=O)C(=Cc2c(Cc3ccccc3Br)ccc3ccccc32)C(=O)N1 ZINC000408868978 556874133 /nfs/dbraw/zinc/87/41/33/556874133.db2.gz ONQSFBZZPANGFH-UHFFFAOYSA-N 0 1 435.277 3.943 40 10 IHCBMN Cc1cccc(N2C(=O)/C(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)C(=O)NC2=S)c1C ZINC000409132738 556963862 /nfs/dbraw/zinc/96/38/62/556963862.db2.gz JVNRNFVEKWVCJD-CPNJWEJPSA-N 0 1 446.488 3.834 40 10 IHCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cccc(OC)c3)C2=O)cc1OCC ZINC000409192848 556992527 /nfs/dbraw/zinc/99/25/27/556992527.db2.gz FZAOAZWVOZVONC-UYRXBGFRSA-N 0 1 438.480 3.545 40 10 IHCBMN Cc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)NC1=S ZINC000409244984 557027121 /nfs/dbraw/zinc/02/71/21/557027121.db2.gz LPCQSPAENYGCQB-VBKFSLOCSA-N 0 1 433.445 3.995 40 10 IHCBMN COc1cc(OC)c(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(OC)c1 ZINC000409246186 557027933 /nfs/dbraw/zinc/02/79/33/557027933.db2.gz GDRQGTLMBLJMFU-LDADJPATSA-N 0 1 440.521 3.667 40 10 IHCBMN CCc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)C(=O)NC2=S)cc1 ZINC000409375705 557087578 /nfs/dbraw/zinc/08/75/78/557087578.db2.gz ODZGYOOREQJLMG-XSFVSMFZSA-N 0 1 446.488 3.779 40 10 IHCBMN COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1ccccc1C#N ZINC000108289718 569260905 /nfs/dbraw/zinc/26/09/05/569260905.db2.gz TXNUNVPOLVZREF-STZFKDTASA-N 0 1 425.444 3.607 40 10 IHCBMN CC(C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1I ZINC000108223918 569260971 /nfs/dbraw/zinc/26/09/71/569260971.db2.gz QCXJXBUUYWBDLP-GDNBJRDFSA-N 0 1 448.260 3.540 40 10 IHCBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccccn1 ZINC000009260370 132311522 /nfs/dbraw/zinc/31/15/22/132311522.db2.gz LBDZWEMCIMQNCI-MOSHPQCFSA-N 0 1 430.533 3.937 40 10 IHCBMN CCn1c2cc(N=Cc3c(C)[nH]n(-c4cccc(C)c4)c3=O)c([N+](=O)[O-])cc2n(CC)c1=O ZINC000408529032 555722527 /nfs/dbraw/zinc/72/25/27/555722527.db2.gz GUFWAQCNFHRBNR-LGMDPLHJSA-N 0 1 448.483 3.778 40 10 IHCBMN O=C1NC(=O)N(CCc2ccccc2)C(=O)C1=CNc1ccc(Br)c(Cl)c1 ZINC000408533759 555747870 /nfs/dbraw/zinc/74/78/70/555747870.db2.gz PBDHMFMICOFYLI-SDNWHVSQSA-N 0 1 448.704 3.719 40 10 IHCBMN COc1ccc(S(=O)(=O)Nc2c(C)cc(O)c(S(=O)(=O)c3ccccc3)c2C)cc1 ZINC000010014003 556322775 /nfs/dbraw/zinc/32/27/75/556322775.db2.gz FGMQCUYMTMAYEE-UHFFFAOYSA-N 0 1 447.534 3.651 40 10 IHCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1cccnc1 ZINC000408780115 556854249 /nfs/dbraw/zinc/85/42/49/556854249.db2.gz SKZZJUJNDOSFLO-CIAFOILYSA-N 0 1 430.533 3.937 40 10 IHCBMN O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1c[nH]c2ccc(Br)cc12 ZINC000409021381 556922539 /nfs/dbraw/zinc/92/25/39/556922539.db2.gz FAGJQVZANNSZNJ-GIDUJCDVSA-N 0 1 444.285 3.901 40 10 IHCBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc1Br ZINC000409020407 556924300 /nfs/dbraw/zinc/92/43/00/556924300.db2.gz OYAGDQVOMXIXTQ-OQLLNIDSSA-N 0 1 445.338 3.906 40 10 IHCBMN CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1 ZINC000409098362 556954101 /nfs/dbraw/zinc/95/41/01/556954101.db2.gz PQYFMIFPKAEOFV-QCUKBLKESA-N 0 1 440.521 3.712 40 10 IHCBMN Cc1ccccc1N1C(=O)/C(=C\c2ccc(N(C)C)c(Br)c2)C(=O)NC1=S ZINC000409230834 557022626 /nfs/dbraw/zinc/02/26/26/557022626.db2.gz GDCQNXGVJXKYRR-UVTDQMKNSA-N 0 1 444.354 3.655 40 10 IHCBMN COc1cc(OC)c(OC)cc1/C=C1\C(=O)NC(=S)N(c2ccc(C)c(Cl)c2)C1=O ZINC000409248576 557029568 /nfs/dbraw/zinc/02/95/68/557029568.db2.gz LHNNMBRUPQVARG-VGOFMYFVSA-N 0 1 446.912 3.506 40 10 IHCBMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(Br)s1 ZINC000409249756 557030206 /nfs/dbraw/zinc/03/02/06/557030206.db2.gz LIPCHBJDIVKHPL-VQHVLOKHSA-N 0 1 427.732 3.995 40 10 IHCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccccn1 ZINC000409250630 557030938 /nfs/dbraw/zinc/03/09/38/557030938.db2.gz XRLICVVHTARODS-CPNJWEJPSA-N 0 1 430.533 3.937 40 10 IHCBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OC(=O)/C=C/c1ccccc1 ZINC000409408199 557107576 /nfs/dbraw/zinc/10/75/76/557107576.db2.gz JHLJFCLPWUEBNF-RGPAXGPHSA-N 0 1 440.455 3.775 40 10 IHCBMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(Cl)s1 ZINC000408968139 556903490 /nfs/dbraw/zinc/90/34/90/556903490.db2.gz WQJZZPZOYIPQAQ-YRNVUSSQSA-N 0 1 427.732 3.995 40 10 IHCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc(Cl)c1OC ZINC000409141322 556972345 /nfs/dbraw/zinc/97/23/45/556972345.db2.gz JJDGZZUFMDSDPF-RIYZIHGNSA-N 0 1 430.913 3.805 40 10 IHCBMN CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(OC)c1 ZINC000409147749 556973315 /nfs/dbraw/zinc/97/33/15/556973315.db2.gz WCEZHXDWLGXUCU-CPNJWEJPSA-N 0 1 437.565 3.990 40 10 IHCBMN Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000409146279 556977287 /nfs/dbraw/zinc/97/72/87/556977287.db2.gz SDGIBVNTRWIOHG-CIAFOILYSA-N 0 1 444.447 3.664 40 10 IHCBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)C(=O)NC2=S)c1 ZINC000409233313 557025011 /nfs/dbraw/zinc/02/50/11/557025011.db2.gz UUUWXGKHTHMKDK-CPNJWEJPSA-N 0 1 446.488 3.834 40 10 IHCBMN COc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc([N+](=O)[O-])c1O ZINC000409334103 557066539 /nfs/dbraw/zinc/06/65/39/557066539.db2.gz TZJMUOSBFUJQHO-MHWRWJLKSA-N 0 1 431.495 3.781 40 10 IHCBMN COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000113833577 557307171 /nfs/dbraw/zinc/30/71/71/557307171.db2.gz MEVCDTJTNNGRBY-DEDYPNTBSA-N 0 1 445.431 3.644 40 10 IHCBMN CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1Br ZINC000108056538 569252211 /nfs/dbraw/zinc/25/22/11/569252211.db2.gz VEYKWBFEEKZLSZ-DGGAMASNSA-N 0 1 447.285 3.881 40 10 IHCBMN COc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1ccccc1C#N ZINC000108289722 569260918 /nfs/dbraw/zinc/26/09/18/569260918.db2.gz TXNUNVPOLVZREF-KGENOOAVSA-N 0 1 425.444 3.607 40 10 IHCBMN