smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Nc1ccccc1)c1cc(S(=O)(=O)Nc2ccc(O)cc2)cs1 ZINC000006681685 206204222 /nfs/dbraw/zinc/20/42/22/206204222.db2.gz GLZSRZDIVCDZNS-UHFFFAOYSA-N 0 1 374.443 3.507 40 10 FHCBMN COc1ccccc1CN(Cc1cccc(OC)c1O)C[C@@H]1CCCO1 ZINC000013995151 206306886 /nfs/dbraw/zinc/30/68/86/206306886.db2.gz PUQDEFKAOXSNBE-SFHVURJKSA-N 0 1 357.450 3.591 40 10 FHCBMN Cc1ccsc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2)C1=O ZINC000408994756 570709753 /nfs/dbraw/zinc/70/97/53/570709753.db2.gz IOWHNKIAZNOAML-XYOKQWHBSA-N 0 1 362.863 3.541 40 10 FHCBMN CC(C)c1ccc(N2C(=O)/C(=C/c3ccsc3)C(=O)NC2=S)cc1 ZINC000409253351 570747050 /nfs/dbraw/zinc/74/70/50/570747050.db2.gz UCMLDLUMGRECCI-OQLLNIDSSA-N 0 1 356.472 3.703 40 10 FHCBMN Cc1ccc(N2C(=O)C(=Cc3cc(C)c(O)c(C)c3)C(=O)NC2=S)cc1 ZINC000038173075 571309848 /nfs/dbraw/zinc/30/98/48/571309848.db2.gz AVOQEJQHYAKJON-MHWRWJLKSA-N 0 1 366.442 3.989 40 10 FHCBMN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1ccc([N+](=O)[O-])cc1 ZINC000100040957 206222101 /nfs/dbraw/zinc/22/21/01/206222101.db2.gz FHZNMODRTHPLBM-WOJGMQOQSA-N 0 1 350.378 3.930 40 10 FHCBMN Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc([N+](=O)[O-])cc1 ZINC000100040957 206222105 /nfs/dbraw/zinc/22/21/05/206222105.db2.gz FHZNMODRTHPLBM-WOJGMQOQSA-N 0 1 350.378 3.930 40 10 FHCBMN O=C1NC(=O)C(=Cc2cccc(OCc3ccccc3Cl)c2)C(=O)N1 ZINC000027835502 263389769 /nfs/dbraw/zinc/38/97/69/263389769.db2.gz GUZRTYURGFFFGZ-UHFFFAOYSA-N 0 1 356.765 3.509 40 10 FHCBMN CC[C@@H](C)Oc1ccc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O ZINC000033732505 571309815 /nfs/dbraw/zinc/30/98/15/571309815.db2.gz HCWPKSFDKZBFDR-KAECEXQPSA-N 0 1 370.836 3.979 40 10 FHCBMN Cc1[nH]c2ccccc2c1/C=C1/C(=O)NN(c2ccc(Cl)cc2)C1=O ZINC000005536617 204213585 /nfs/dbraw/zinc/21/35/85/204213585.db2.gz UZNKNZVYVDOQKW-YBEGLDIGSA-N 0 1 351.793 3.591 40 10 FHCBMN COc1ccc(O)c(CN(Cc2ccccc2OC)C[C@@H]2CCCO2)c1 ZINC000013995145 206307454 /nfs/dbraw/zinc/30/74/54/206307454.db2.gz CNSPPEQZYFJDKS-IBGZPJMESA-N 0 1 357.450 3.591 40 10 FHCBMN CN1CCN(c2ccc(CNC(=S)Nc3ccccc3Cl)cc2)CC1 ZINC000225775710 536421723 /nfs/dbraw/zinc/42/17/23/536421723.db2.gz DVNLAHCSDRTZGE-UHFFFAOYSA-N 0 1 374.941 3.578 40 10 FHCBMN Cc1c(/C=C2/NC(=O)NC2=O)c2ccccc2n1Cc1ccccc1Cl ZINC000408917237 570698496 /nfs/dbraw/zinc/69/84/96/570698496.db2.gz POSYBOILGWXTOU-LICLKQGHSA-N 0 1 365.820 3.832 40 10 FHCBMN Cc1ccc(N2C(=O)/C(=C/c3cccs3)C(=O)NC2=S)cc1Cl ZINC000409240763 263545537 /nfs/dbraw/zinc/54/55/37/263545537.db2.gz HTOBIBUQSJGQOX-XYOKQWHBSA-N 0 1 362.863 3.541 40 10 FHCBMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000100930847 570509232 /nfs/dbraw/zinc/50/92/32/570509232.db2.gz WTAAMJHQJHHTBO-UVTDQMKNSA-N 0 1 356.769 3.967 40 10 FHCBMN O=C1OC2(CCCCC2)OC(=O)C1=Cc1cc(Cl)cc(Cl)c1O ZINC000058865560 571086637 /nfs/dbraw/zinc/08/66/37/571086637.db2.gz XZCDCOOMLNJCAT-UHFFFAOYSA-N 0 1 357.189 3.843 40 10 FHCBMN COc1ccc(N=Cc2c(C)[nH]n(-c3cccc(C)c3)c2=O)c([N+](=O)[O-])c1 ZINC000408531327 570512760 /nfs/dbraw/zinc/51/27/60/570512760.db2.gz KHPLSKAVTDSQQM-WJDWOHSUSA-N 0 1 366.377 3.630 40 10 FHCBMN COc1ccc(CNC2(c3cccc(F)c3)CC2)cc1Cn1cccn1 ZINC000012361989 570738559 /nfs/dbraw/zinc/73/85/59/570738559.db2.gz JOJVAMXKLLDTLV-UHFFFAOYSA-N 0 1 351.425 3.858 40 10 FHCBMN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1cccc([N+](=O)[O-])c1 ZINC000016160831 570851630 /nfs/dbraw/zinc/85/16/30/570851630.db2.gz KPWQNHKAILJNNZ-YBEGLDIGSA-N 0 1 356.769 3.967 40 10 FHCBMN Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1cccc([N+](=O)[O-])c1 ZINC000016160831 570851633 /nfs/dbraw/zinc/85/16/33/570851633.db2.gz KPWQNHKAILJNNZ-YBEGLDIGSA-N 0 1 356.769 3.967 40 10 FHCBMN O=c1cc([C@@H]2CCC[N@@H+](Cc3ccccc3O)C2)nc(-c2cccs2)[n-]1 ZINC000019349001 570886982 /nfs/dbraw/zinc/88/69/82/570886982.db2.gz IWQONFRISGHBRQ-CQSZACIVSA-N 0 1 367.474 3.584 40 10 FHCBMN O=c1cc([C@@H]2CCC[N@H+](Cc3ccccc3O)C2)nc(-c2cccs2)[n-]1 ZINC000019349001 570886985 /nfs/dbraw/zinc/88/69/85/570886985.db2.gz IWQONFRISGHBRQ-CQSZACIVSA-N 0 1 367.474 3.584 40 10 FHCBMN COc1ccccc1CN(Cc1cccc(OC)c1O)C[C@H]1CCCO1 ZINC000013995153 206306781 /nfs/dbraw/zinc/30/67/81/206306781.db2.gz PUQDEFKAOXSNBE-GOSISDBHSA-N 0 1 357.450 3.591 40 10 FHCBMN CCN1C(=O)NC(=O)C(=Cc2cc(C)n(-c3ccc(C)cc3)c2C)C1=O ZINC000005947702 570778136 /nfs/dbraw/zinc/77/81/36/570778136.db2.gz XMHGKMXODGDPCW-GZTJUZNOSA-N 0 1 351.406 3.725 40 10 FHCBMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(C)c1O ZINC000038181570 570994878 /nfs/dbraw/zinc/99/48/78/570994878.db2.gz IJQAUAQKIZVZAY-UKTHLTGXSA-N 0 1 370.405 3.820 40 10 FHCBMN CC(C)Oc1ccc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O ZINC000107809683 571309959 /nfs/dbraw/zinc/30/99/59/571309959.db2.gz JIUOQXPFZBNJQA-WJDWOHSUSA-N 0 1 356.809 3.589 40 10 FHCBMN C[C@@H](NC(=O)Cc1ccc2nc[nH]c2c1)c1ccc(N2CCCCC2)cc1 ZINC000019662418 570897812 /nfs/dbraw/zinc/89/78/12/570897812.db2.gz OAPYRYOHWLKDQK-MRXNPFEDSA-N 0 1 362.477 3.973 40 10 FHCBMN Cc1ccc(C)c(NC(=S)NCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC000225775583 132286656 /nfs/dbraw/zinc/28/66/56/132286656.db2.gz DDUNDBKNEOCSIE-UHFFFAOYSA-N 0 1 368.550 3.542 40 10 FHCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Cl)s3)C(=O)NC2=S)cc1 ZINC000408967495 263511878 /nfs/dbraw/zinc/51/18/78/263511878.db2.gz SOKWLGNWFVFIQW-XYOKQWHBSA-N 0 1 362.863 3.541 40 10 FHCBMN O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1c(O)ccc2ccccc21 ZINC000016525792 570857663 /nfs/dbraw/zinc/85/76/63/570857663.db2.gz QQRCQTZMEIVICQ-BOPFTXTBSA-N 0 1 364.788 3.660 40 10 FHCBMN CCOc1cccc(N2C(=O)C(=Cc3ccc(F)cc3)C(=O)NC2=S)c1 ZINC000096850957 132226331 /nfs/dbraw/zinc/22/63/31/132226331.db2.gz XIUPXIHVQITCMZ-MHWRWJLKSA-N 0 1 370.405 3.896 40 10 FHCBMN COc1ccccc1N1C(=O)C(=Cc2ccc(C)s2)C(=O)NC1=S ZINC000001184741 132380788 /nfs/dbraw/zinc/38/07/88/132380788.db2.gz NRSCSYUTGSZEIY-FMIVXFBMSA-N 0 1 358.444 3.737 40 10 FHCBMN Cc1ccsc1/C=C1\C(=O)NC(=S)N(c2cc(C)ccc2C)C1=O ZINC000409237043 263545693 /nfs/dbraw/zinc/54/56/93/263545693.db2.gz VGASKIAVWVAHCI-UKTHLTGXSA-N 0 1 356.472 3.505 40 10 FHCBMN O=C(c1ccccc1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000223648159 568689774 /nfs/dbraw/zinc/68/97/74/568689774.db2.gz ASKRJWUUMYICQU-UHFFFAOYSA-N 0 1 355.390 3.858 40 10 FHCBMN COc1ccc([N+](=O)[O-])cc1N=Cc1c(C)[nH]n(-c2cccc(C)c2)c1=O ZINC000408535517 570518054 /nfs/dbraw/zinc/51/80/54/570518054.db2.gz YSLNOVQUDKBCJW-WJDWOHSUSA-N 0 1 366.377 3.630 40 10 FHCBMN O=C1NC(=S)N(c2cccc3ccccc32)C(=O)/C1=C/c1cccs1 ZINC000008382062 570681207 /nfs/dbraw/zinc/68/12/07/570681207.db2.gz DPVRMAVQZWJBEZ-RVDMUPIBSA-N 0 1 364.451 3.733 40 10 FHCBMN CC(C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl ZINC000409410169 570757507 /nfs/dbraw/zinc/75/75/07/570757507.db2.gz ZTWLRYGNQAYEOL-GDNBJRDFSA-N 0 1 356.809 3.589 40 10 FHCBMN CCOC(=O)c1ccc(NC(C)=C2C(C)=NN(c3ccccc3)C2=O)cc1 ZINC000112116877 570810316 /nfs/dbraw/zinc/81/03/16/570810316.db2.gz RGPVIGGMDUVHLV-RGEXLXHISA-N 0 1 363.417 3.972 40 10 FHCBMN COc1ccc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)c(OC)c1 ZINC000013994091 570840516 /nfs/dbraw/zinc/84/05/16/570840516.db2.gz DFKJXQLYJFSIKV-IBGZPJMESA-N 0 1 357.450 3.591 40 10 FHCBMN COc1ccc(CN(Cc2ccccc2OC)C[C@@H]2CCCO2)c(O)c1 ZINC000013995139 570840745 /nfs/dbraw/zinc/84/07/45/570840745.db2.gz NMMKJPGXVFOIHB-IBGZPJMESA-N 0 1 357.450 3.591 40 10 FHCBMN O=C1NC(=O)C(=Cc2cc(Cl)ccc2OCc2ccc(F)cc2)C(=O)N1 ZINC000058822889 571086580 /nfs/dbraw/zinc/08/65/80/571086580.db2.gz YKZZNLALTIZWDA-UHFFFAOYSA-N 0 1 374.755 3.648 40 10 FHCBMN COc1ccc(/C=C2/SC(=S)N(CN3CCCCCC3)C2=O)cc1 ZINC000055121111 571116508 /nfs/dbraw/zinc/11/65/08/571116508.db2.gz YQBJPQXNLODNFA-FOWTUZBSSA-N 0 1 362.520 3.730 40 10 FHCBMN CN1CCN(c2ccc(CNC(=S)Nc3ccc(Cl)cc3)cc2)CC1 ZINC000225775776 536420864 /nfs/dbraw/zinc/42/08/64/536420864.db2.gz HFXOCJUBCHMMTI-UHFFFAOYSA-N 0 1 374.941 3.578 40 10 FHCBMN C[C@H](NC(=O)Cc1ccc2nc[nH]c2c1)c1ccc(N2CCCCC2)cc1 ZINC000019662420 570897844 /nfs/dbraw/zinc/89/78/44/570897844.db2.gz OAPYRYOHWLKDQK-INIZCTEOSA-N 0 1 362.477 3.973 40 10 FHCBMN CCOc1ccc(-c2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)o2)cc1 ZINC000033667816 571309844 /nfs/dbraw/zinc/30/98/44/571309844.db2.gz WXZKLXUPILVPNR-RGEXLXHISA-N 0 1 374.396 3.807 40 10 FHCBMN CC(C)c1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1 ZINC000408917428 570698796 /nfs/dbraw/zinc/69/87/96/570698796.db2.gz UHEIPDOIJLRSOW-BOPFTXTBSA-N 0 1 368.433 3.780 40 10 FHCBMN COc1ccc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)c1 ZINC000059135855 571087382 /nfs/dbraw/zinc/08/73/82/571087382.db2.gz XEFOMDSLIYALCI-GXDHUFHOSA-N 0 1 370.405 3.814 40 10 FHCBMN C=C1N=C(SCCC)N[C@H](c2ccc(N(C)C)cc2)C1C(=O)OCC ZINC000408991289 570708816 /nfs/dbraw/zinc/70/88/16/570708816.db2.gz QBLTUFDKABBLGJ-QGZVFWFLSA-N 0 1 361.511 3.733 40 10 FHCBMN CC(C)c1ccc(N2C(=O)/C(=C/C=C/c3ccco3)C(=O)NC2=S)cc1 ZINC000409223448 570742594 /nfs/dbraw/zinc/74/25/94/570742594.db2.gz ZNBSXSDWTUZSIR-GOBGXLLKSA-N 0 1 366.442 3.791 40 10 FHCBMN CCCCOc1ccc(/C=C2\C(=O)NN(c3ccc(Cl)cc3)C2=O)cc1 ZINC000033773961 571085584 /nfs/dbraw/zinc/08/55/84/571085584.db2.gz WYRHSRQLOPNMAY-QGOAFFKASA-N 0 1 370.836 3.980 40 10 FHCBMN CC[C@H](C)Oc1ccc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O ZINC000033732507 571309806 /nfs/dbraw/zinc/30/98/06/571309806.db2.gz HCWPKSFDKZBFDR-IGWPVBGESA-N 0 1 370.836 3.979 40 10 FHCBMN O=c1oc2ccccc2n1[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000012119196 207339063 /nfs/dbraw/zinc/33/90/63/207339063.db2.gz MBGNLSLTVXEMKP-OAHLLOKOSA-N 0 1 358.825 3.791 40 10 FHCBMN O=c1oc2ccccc2n1[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000012119196 207339068 /nfs/dbraw/zinc/33/90/68/207339068.db2.gz MBGNLSLTVXEMKP-OAHLLOKOSA-N 0 1 358.825 3.791 40 10 FHCBMN Cc1ccc(NC(=S)NCc2ccc(N3CCN(C)CC3)cc2)cc1C ZINC000225775647 132286625 /nfs/dbraw/zinc/28/66/25/132286625.db2.gz JPLBCZZKGZNEPN-UHFFFAOYSA-N 0 1 368.550 3.542 40 10 FHCBMN CN1CCN(c2ccc(CNC(=S)Nc3cccc(Cl)c3)cc2)CC1 ZINC000225775748 536421045 /nfs/dbraw/zinc/42/10/45/536421045.db2.gz JZMRQTWVCXMYIE-UHFFFAOYSA-N 0 1 374.941 3.578 40 10 FHCBMN Cc1cc(C=C2C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000001269484 570496970 /nfs/dbraw/zinc/49/69/70/570496970.db2.gz DRBTZXPAKVUTBF-OQLLNIDSSA-N 0 1 357.797 3.679 40 10 FHCBMN CC(C)(C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl ZINC000108105467 571309975 /nfs/dbraw/zinc/30/99/75/571309975.db2.gz ZVNKAXGZEMIJJZ-PTNGSMBKSA-N 0 1 370.836 3.979 40 10 FHCBMN O=C1NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1c[nH]c2ccccc12 ZINC000003140482 571345088 /nfs/dbraw/zinc/34/50/88/571345088.db2.gz KOGNCQQOMDBIAX-NVNXTCNLSA-N 0 1 371.318 3.648 40 10 FHCBMN COc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)cc1C ZINC000223260690 568631438 /nfs/dbraw/zinc/63/14/38/568631438.db2.gz BJYLDOXKRPEMRZ-UHFFFAOYSA-N 0 1 360.460 3.928 40 10 FHCBMN CC1=NN(c2ccc(Br)c(C)c2)C(=O)C1=CNc1cccnc1 ZINC000408539159 570526084 /nfs/dbraw/zinc/52/60/84/570526084.db2.gz UJEXRMQUUBDVRS-GDNBJRDFSA-N 0 1 371.238 3.871 40 10 FHCBMN Cc1[nH]n(-c2ccc(Br)c(C)c2)c(=O)c1C=Nc1cccnc1 ZINC000408539159 570526087 /nfs/dbraw/zinc/52/60/87/570526087.db2.gz UJEXRMQUUBDVRS-GDNBJRDFSA-N 0 1 371.238 3.871 40 10 FHCBMN CCc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)cc1 ZINC000409330032 570750330 /nfs/dbraw/zinc/75/03/30/570750330.db2.gz JTFIJTYYRITBQN-UVTDQMKNSA-N 0 1 374.512 3.857 40 10 FHCBMN O=c1cc([C@H]2CCC[N@@H+](Cc3ccccc3O)C2)nc(-c2cccs2)[n-]1 ZINC000019349003 570886779 /nfs/dbraw/zinc/88/67/79/570886779.db2.gz IWQONFRISGHBRQ-AWEZNQCLSA-N 0 1 367.474 3.584 40 10 FHCBMN O=c1cc([C@H]2CCC[N@H+](Cc3ccccc3O)C2)nc(-c2cccs2)[n-]1 ZINC000019349003 570886782 /nfs/dbraw/zinc/88/67/82/570886782.db2.gz IWQONFRISGHBRQ-AWEZNQCLSA-N 0 1 367.474 3.584 40 10 FHCBMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3C)C2=O)cc(C)c1O ZINC000038188648 571309943 /nfs/dbraw/zinc/30/99/43/571309943.db2.gz XKYWGAHJOMWCNW-XNTDXEJSSA-N 0 1 366.442 3.989 40 10 FHCBMN CCN(CC)c1ccc(/C=C2/C(=O)NN(c3ccc(Cl)cc3)C2=O)cc1 ZINC000003077080 571344582 /nfs/dbraw/zinc/34/45/82/571344582.db2.gz CAGJRYSRVCDBSE-AQTBWJFISA-N 0 1 369.852 3.648 40 10 FHCBMN O=C(NN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)c1cccs1 ZINC000409339721 570750865 /nfs/dbraw/zinc/75/08/65/570750865.db2.gz LFJMHAKLVUHPHE-KXXDCUPXSA-N 0 1 372.496 3.851 40 10 FHCBMN COc1ccc(N2CCC([N@@H+](CC(=O)[O-])Cc3ccc(C)cc3)CC2)cc1 ZINC000257210894 536669298 /nfs/dbraw/zinc/66/92/98/536669298.db2.gz BWPIUTXWPDZSKW-UHFFFAOYSA-N 0 1 368.477 3.559 40 10 FHCBMN Cc1ccsc1/C=C1\C(=O)NC(=S)N(c2cc(C)cc(C)c2)C1=O ZINC000409001919 570710959 /nfs/dbraw/zinc/71/09/59/570710959.db2.gz XYJNLPXRELRVFC-NTEUORMPSA-N 0 1 356.472 3.505 40 10 FHCBMN Cc1cccc(N2C(=O)C(=Cc3cc(C)c(O)c(C)c3)C(=O)NC2=S)c1 ZINC000038178343 571309822 /nfs/dbraw/zinc/30/98/22/571309822.db2.gz TTXWPKBIHKRQDK-MHWRWJLKSA-N 0 1 366.442 3.989 40 10 FHCBMN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1cccc([N+](=O)[O-])c1 ZINC000018203147 211196263 /nfs/dbraw/zinc/19/62/63/211196263.db2.gz KBCGMYNLVDKYHT-WOJGMQOQSA-N 0 1 350.378 3.930 40 10 FHCBMN Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1cccc([N+](=O)[O-])c1 ZINC000018203147 211196265 /nfs/dbraw/zinc/19/62/65/211196265.db2.gz KBCGMYNLVDKYHT-WOJGMQOQSA-N 0 1 350.378 3.930 40 10 FHCBMN Cc1ccc(NC(=S)NCc2ccc(N3CCN(C)CC3)cc2)c(C)c1 ZINC000225775554 132286590 /nfs/dbraw/zinc/28/65/90/132286590.db2.gz FBSFEHYBSJIXMY-UHFFFAOYSA-N 0 1 368.550 3.542 40 10 FHCBMN Cc1cc(C)cc(NC(=S)NCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC000225775615 132286664 /nfs/dbraw/zinc/28/66/64/132286664.db2.gz URLFUDQOIQTQID-UHFFFAOYSA-N 0 1 368.550 3.542 40 10 FHCBMN Cc1nn(C)c(C)c1N=Cc1c(C)[nH]n(-c2ccc(C)c(Cl)c2)c1=O ZINC000408758365 570563650 /nfs/dbraw/zinc/56/36/50/570563650.db2.gz YYLIBKFWQYRKNZ-OQLLNIDSSA-N 0 1 357.845 3.717 40 10 FHCBMN Cc1ccsc1/C=C1\C(=O)NC(=S)N(c2ccccc2Cl)C1=O ZINC000409242835 570746218 /nfs/dbraw/zinc/74/62/18/570746218.db2.gz PHCIWQYQIBSTRU-CSKARUKUSA-N 0 1 362.863 3.541 40 10 FHCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(Sc2ccccc2)o1 ZINC000409400908 570757204 /nfs/dbraw/zinc/75/72/04/570757204.db2.gz VAQVLQIKSIOJIE-LGMDPLHJSA-N 0 1 362.410 3.892 40 10 FHCBMN CCN1C(=O)NC(=O)C(=Cc2cc(C)n(-c3ccc(F)cc3)c2C)C1=O ZINC000005947707 570778059 /nfs/dbraw/zinc/77/80/59/570778059.db2.gz HJSJEXUUIWGYDR-MHWRWJLKSA-N 0 1 355.369 3.555 40 10 FHCBMN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc([N+](=O)[O-])c1O ZINC000006207194 570779682 /nfs/dbraw/zinc/77/96/82/570779682.db2.gz QWZHIXZXMXHELW-OQLLNIDSSA-N 0 1 367.361 3.505 40 10 FHCBMN Cc1c(/C=C2/NC(=O)NC2=O)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000006369989 570780337 /nfs/dbraw/zinc/78/03/37/570780337.db2.gz UXHYSUTWUIPJQJ-LICLKQGHSA-N 0 1 365.820 3.832 40 10 FHCBMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1c(C)cc(C)cc1[N+](=O)[O-] ZINC000100542623 222246553 /nfs/dbraw/zinc/24/65/53/222246553.db2.gz ORZYKLDVQSMEJA-LFIBNONCSA-N 0 1 350.378 3.930 40 10 FHCBMN Cc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)s1 ZINC000409223869 263543532 /nfs/dbraw/zinc/54/35/32/263543532.db2.gz GFIJZLNMJGXPCT-NTEUORMPSA-N 0 1 356.472 3.505 40 10 FHCBMN Cc1ccsc1/C=C1\C(=O)NC(=S)N(c2ccc(C)cc2C)C1=O ZINC000408994117 570709774 /nfs/dbraw/zinc/70/97/74/570709774.db2.gz GEVFFDNEYUBGQD-UKTHLTGXSA-N 0 1 356.472 3.505 40 10 FHCBMN COC(=O)c1ccc(NC(C)=C2C(C)=NN(c3ccc(F)cc3)C2=O)cc1 ZINC000112117823 570810983 /nfs/dbraw/zinc/81/09/83/570810983.db2.gz CVFFIKKRBRRGLD-PDGQHHTCSA-N 0 1 367.380 3.721 40 10 FHCBMN O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1c(O)ccc2ccccc21 ZINC000000859644 219331986 /nfs/dbraw/zinc/33/19/86/219331986.db2.gz QQRCQTZMEIVICQ-GZTJUZNOSA-N 0 1 364.788 3.660 40 10 FHCBMN COc1ccc(O)c(CN(Cc2ccccc2OC)C[C@H]2CCCO2)c1 ZINC000013995148 220101169 /nfs/dbraw/zinc/10/11/69/220101169.db2.gz CNSPPEQZYFJDKS-LJQANCHMSA-N 0 1 357.450 3.591 40 10 FHCBMN COc1ccc(OC)c(CN(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000013994855 220101789 /nfs/dbraw/zinc/10/17/89/220101789.db2.gz JWPFBYFQYATONK-IBGZPJMESA-N 0 1 357.450 3.591 40 10 FHCBMN CCOC(=O)c1c(C)n(Cc2ccccc2)c2cc(C[NH+](C)C)c([O-])cc21 ZINC000001758671 210370148 /nfs/dbraw/zinc/37/01/48/210370148.db2.gz QGXIYNATESEIKJ-UHFFFAOYSA-N 0 1 366.461 3.942 40 10 FHCBMN C=C1N=C(SC(C)C)N[C@H](c2ccc(N(C)C)cc2)C1C(=O)OCC ZINC000408991001 263513949 /nfs/dbraw/zinc/51/39/49/263513949.db2.gz PHAQZOHBLZGANR-QGZVFWFLSA-N 0 1 361.511 3.732 40 10 FHCBMN Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccsc2)C(=O)NC1=S ZINC000409100017 570723865 /nfs/dbraw/zinc/72/38/65/570723865.db2.gz PGEZZFFRNFNADC-YRNVUSSQSA-N 0 1 362.863 3.541 40 10 FHCBMN Cc1c(C=C2C(=O)N(c3ccccc3)N=C2C)c(=O)[nH]n1-c1ccccc1 ZINC000226643938 571106149 /nfs/dbraw/zinc/10/61/49/571106149.db2.gz RVKYXHPRIYMFSS-QGOAFFKASA-N 0 1 358.401 3.692 40 10 FHCBMN COc1ccc(OC)c(CN(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000013994858 220101865 /nfs/dbraw/zinc/10/18/65/220101865.db2.gz JWPFBYFQYATONK-LJQANCHMSA-N 0 1 357.450 3.591 40 10 FHCBMN Cc1ccc(N2C(=O)/C(=C/c3ccsc3)C(=O)NC2=S)cc1Cl ZINC000409238626 263545583 /nfs/dbraw/zinc/54/55/83/263545583.db2.gz KNADDEWLTJOFTD-WUXMJOGZSA-N 0 1 362.863 3.541 40 10 FHCBMN O=C1NN(c2ccccc2)C(=O)/C1=C1/SC=C(c2ccccc2)S1 ZINC000003850785 570569346 /nfs/dbraw/zinc/56/93/46/570569346.db2.gz JZNSAHROENKUQZ-SDXDJHTJSA-N 0 1 352.440 3.755 40 10 FHCBMN Cc1ccccc1/C=C1/SC(=S)N(NC(=O)c2cccs2)C1=O ZINC000409342601 570751195 /nfs/dbraw/zinc/75/11/95/570751195.db2.gz BUZTXCPDKHPBML-UKTHLTGXSA-N 0 1 360.485 3.603 40 10 FHCBMN O=C1NC(=O)C(=Cc2cc(Cl)ccc2OCc2ccccc2F)C(=O)N1 ZINC000058822887 571086615 /nfs/dbraw/zinc/08/66/15/571086615.db2.gz GBWRJGVBMUZFAN-UHFFFAOYSA-N 0 1 374.755 3.648 40 10 FHCBMN CC(C)(C)Oc1ccc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O ZINC000035126495 571309819 /nfs/dbraw/zinc/30/98/19/571309819.db2.gz WJFDDWNCVCXJDA-VBKFSLOCSA-N 0 1 370.836 3.979 40 10 FHCBMN Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccccc1[N+](=O)[O-] ZINC000101141526 210085027 /nfs/dbraw/zinc/08/50/27/210085027.db2.gz UUHWSZZFKJSUKX-LFIBNONCSA-N 0 1 350.378 3.930 40 10 FHCBMN Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc(Br)cn1 ZINC000101350422 222272215 /nfs/dbraw/zinc/27/22/15/222272215.db2.gz MJFUSUOAJAYTEH-GDNBJRDFSA-N 0 1 371.238 3.871 40 10 FHCBMN C=C1N=C(SCCC)N[C@@H](c2ccc(N(C)C)cc2)C1C(=O)OCC ZINC000408991287 263514654 /nfs/dbraw/zinc/51/46/54/263514654.db2.gz QBLTUFDKABBLGJ-KRWDZBQOSA-N 0 1 361.511 3.733 40 10 FHCBMN Cc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)s1 ZINC000409124618 570729820 /nfs/dbraw/zinc/72/98/20/570729820.db2.gz BTFHOIJGLUILHY-NTEUORMPSA-N 0 1 356.472 3.505 40 10 FHCBMN CCCOc1ccccc1/C=C1\C(=O)NN(c2ccc(Cl)cc2)C1=O ZINC000003068587 570769562 /nfs/dbraw/zinc/76/95/62/570769562.db2.gz BIRCYRMEZWVRHH-FOWTUZBSSA-N 0 1 356.809 3.590 40 10 FHCBMN Cc1c(C=C2C(=O)N(c3ccccc3)N=C2C)c(=O)[nH]n1-c1ccccc1 ZINC000226643947 571106155 /nfs/dbraw/zinc/10/61/55/571106155.db2.gz RVKYXHPRIYMFSS-AQTBWJFISA-N 0 1 358.401 3.692 40 10 FHCBMN Cc1ccsc1/C=C1\C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O ZINC000230530809 571310072 /nfs/dbraw/zinc/31/00/72/571310072.db2.gz MSJPXOWDJQYKPU-XYOKQWHBSA-N 0 1 362.863 3.541 40 10 FHCBMN Cc1[nH]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1ccccc1[N+](=O)[O-] ZINC000101114499 210086912 /nfs/dbraw/zinc/08/69/12/210086912.db2.gz GYVYCODEZRSOIC-RVDMUPIBSA-N 0 1 350.378 3.930 40 10 FHCBMN COc1ccc(CN(Cc2ccccc2OC)C[C@H]2CCCO2)c(O)c1 ZINC000013995142 220101782 /nfs/dbraw/zinc/10/17/82/220101782.db2.gz NMMKJPGXVFOIHB-LJQANCHMSA-N 0 1 357.450 3.591 40 10 FHCBMN Cc1cccc(N2C(=O)/C(=C/c3ccc(Cl)s3)C(=O)NC2=S)c1 ZINC000408966890 570704700 /nfs/dbraw/zinc/70/47/00/570704700.db2.gz ORFFOHCFQOBSKD-XYOKQWHBSA-N 0 1 362.863 3.541 40 10 FHCBMN COc1ccc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1C ZINC000059135958 571087583 /nfs/dbraw/zinc/08/75/83/571087583.db2.gz DCTUHBHPCUJYLX-JLHYYAGUSA-N 0 1 370.405 3.814 40 10 FHCBMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)cc(C)c1O ZINC000038186091 571309839 /nfs/dbraw/zinc/30/98/39/571309839.db2.gz JLRJWUYNGLYTQS-XNTDXEJSSA-N 0 1 352.415 3.681 40 10 FHCBMN COc1ccc(NC(C)=C2C(C)=NN(c3ccc(F)cc3)C2=O)c(OC)c1 ZINC000112118154 263452118 /nfs/dbraw/zinc/45/21/18/263452118.db2.gz RQTCNKGDYSZCMS-UNOMPAQXSA-N 0 1 369.396 3.952 40 10 FHCBMN COc1ccc(C=C2C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1 ZINC000035387600 570647949 /nfs/dbraw/zinc/64/79/49/570647949.db2.gz PVOGSYGLDOVFRD-RVDMUPIBSA-N 0 1 352.415 3.675 40 10 FHCBMN COc1cc([N+](=O)[O-])ccc1N=Cc1c(C)[nH]n(-c2ccc(C)cc2)c1=O ZINC000100296112 222240518 /nfs/dbraw/zinc/24/05/18/222240518.db2.gz CJGGNTJPTFWCCP-LFIBNONCSA-N 0 1 366.377 3.630 40 10 FHCBMN COc1cccc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c1 ZINC000059135963 263416572 /nfs/dbraw/zinc/41/65/72/263416572.db2.gz LIOKTOHLWTZGFL-JLHYYAGUSA-N 0 1 356.378 3.506 40 10 FHCBMN COc1ccc(N2C(=O)C(=Cc3sccc3C)C(=O)NC2=S)cc1 ZINC000001197686 536657858 /nfs/dbraw/zinc/65/78/58/536657858.db2.gz HPXLQBKEIQNVPY-UKTHLTGXSA-N 0 1 358.444 3.737 40 10 FHCBMN Cc1ccc(N2NC(=O)/C(=C/c3ccccc3OC(C)C)C2=O)cc1Cl ZINC000005547196 570629830 /nfs/dbraw/zinc/62/98/30/570629830.db2.gz NETSHMJZESJOMG-YBEGLDIGSA-N 0 1 370.836 3.897 40 10 FHCBMN Cc1cc(C)c(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)c1 ZINC000408917193 570698533 /nfs/dbraw/zinc/69/85/33/570698533.db2.gz ONECMJFMINTBJM-YVLHZVERSA-N 0 1 368.433 3.582 40 10 FHCBMN O=C1NC(=S)N(c2ccccc2)C(=O)C1=Cc1cc(Cl)ccc1O ZINC000038170692 136118524 /nfs/dbraw/zinc/11/85/24/136118524.db2.gz VFGNFRDHTBUVBW-LCYFTJDESA-N 0 1 358.806 3.717 40 10 FHCBMN C=C1N=C(SC(C)C)N[C@@H](c2ccc(N(C)C)cc2)C1C(=O)OCC ZINC000408991000 263513968 /nfs/dbraw/zinc/51/39/68/263513968.db2.gz PHAQZOHBLZGANR-KRWDZBQOSA-N 0 1 361.511 3.732 40 10 FHCBMN Cc1cc(C)c(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)c1 ZINC000408854140 570692991 /nfs/dbraw/zinc/69/29/91/570692991.db2.gz YJJQVQDUUDHODM-XNTDXEJSSA-N 0 1 368.433 3.582 40 10 FHCBMN Cn1cc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)c2ccccc21 ZINC000033334769 571084865 /nfs/dbraw/zinc/08/48/65/571084865.db2.gz VUAWBBWLHKIWNB-LFIBNONCSA-N 0 1 361.426 3.850 40 10 FHCBMN Cc1c(Cl)cccc1N1C(=O)/C(=C/C=C/c2ccco2)C(=O)NC1=S ZINC000409105074 570726164 /nfs/dbraw/zinc/72/61/64/570726164.db2.gz GBTDCAUFFYTOEE-MUGKHDKNSA-N 0 1 372.833 3.629 40 10 FHCBMN CCc1cccc2c(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c[nH]c21 ZINC000001134305 219378193 /nfs/dbraw/zinc/37/81/93/219378193.db2.gz ZEIWGCKUUWNQAQ-CXUHLZMHSA-N 0 1 363.373 3.826 40 10 FHCBMN COc1ccc(CN(Cc2ccccc2O)C[C@H]2CCCO2)c(OC)c1 ZINC000013994094 220101999 /nfs/dbraw/zinc/10/19/99/220101999.db2.gz DFKJXQLYJFSIKV-LJQANCHMSA-N 0 1 357.450 3.591 40 10 FHCBMN CC[C@@H](C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl ZINC000033660644 571309652 /nfs/dbraw/zinc/30/96/52/571309652.db2.gz UDDRIPYGYATZMP-YYTPVVGHSA-N 0 1 370.836 3.979 40 10 FHCBMN CCN(C)c1ccc(/C=C2\C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000059416948 221125981 /nfs/dbraw/zinc/12/59/81/221125981.db2.gz UKPONNDZWAVGKH-GZTJUZNOSA-N 0 1 369.852 3.566 40 10 FHCBMN O=C1NC(=O)C(=Cc2ccc(-c3ccccc3C(F)(F)F)o2)C(=O)N1 ZINC000059219851 571088222 /nfs/dbraw/zinc/08/82/22/571088222.db2.gz KAPZIXNMZXKUFZ-UHFFFAOYSA-N 0 1 350.252 3.555 40 10 FHCBMN CCOc1cc([N+](=O)[O-])cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c1O ZINC000408905592 570697005 /nfs/dbraw/zinc/69/70/05/570697005.db2.gz ZQJZKSWJLCNFIP-MHWRWJLKSA-N 0 1 367.361 3.505 40 10 FHCBMN Cc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)s1 ZINC000409230173 570743927 /nfs/dbraw/zinc/74/39/27/570743927.db2.gz XHSNISYURMMQOE-DHZHZOJOSA-N 0 1 362.863 3.541 40 10 FHCBMN O=C(NN1C(=O)/C(=C/C=C\c2ccccc2)SC1=S)c1cccs1 ZINC000409339720 570750877 /nfs/dbraw/zinc/75/08/77/570750877.db2.gz LFJMHAKLVUHPHE-GOVIJKLZSA-N 0 1 372.496 3.851 40 10 FHCBMN Cc1ccccc1N1C(=O)/C(=C/c2ccc(Cl)s2)C(=O)NC1=S ZINC000408965903 570704662 /nfs/dbraw/zinc/70/46/62/570704662.db2.gz JRNUBYYNXZPONG-DHZHZOJOSA-N 0 1 362.863 3.541 40 10 FHCBMN O=c1oc2ccccc2n1[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000012119199 570720329 /nfs/dbraw/zinc/72/03/29/570720329.db2.gz MBGNLSLTVXEMKP-HNNXBMFYSA-N 0 1 358.825 3.791 40 10 FHCBMN O=c1oc2ccccc2n1[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000012119199 570720333 /nfs/dbraw/zinc/72/03/33/570720333.db2.gz MBGNLSLTVXEMKP-HNNXBMFYSA-N 0 1 358.825 3.791 40 10 FHCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1 ZINC000409409800 570757108 /nfs/dbraw/zinc/75/71/08/570757108.db2.gz XDNARKPXXIQIDA-QNGOZBTKSA-N 0 1 370.408 3.727 40 10 FHCBMN CC[C@H](C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl ZINC000033660646 571309672 /nfs/dbraw/zinc/30/96/72/571309672.db2.gz UDDRIPYGYATZMP-RERGGYADSA-N 0 1 370.836 3.979 40 10 FHCBMN Cc1cc(/C=C2\NC(=O)NC2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000408816754 570688947 /nfs/dbraw/zinc/68/89/47/570688947.db2.gz KBURYUKFPNKQNF-MLPAPPSSSA-N 0 1 350.205 3.581 40 10 FHCBMN