smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Br)c1O ZINC000408692694 557709293 /nfs/dbraw/zinc/70/92/93/557709293.db2.gz SHUYMOBSJRZZCJ-KPKJPENVSA-N 0 1 423.263 2.958 40 10 HFCBMN COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000408724386 557775751 /nfs/dbraw/zinc/77/57/51/557775751.db2.gz DXFRZBPSWIBSAI-UHFFFAOYSA-N 0 1 424.453 2.566 40 10 HFCBMN O=C1C[C@H](NCCN2CCOCC2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1 ZINC000103569221 559156412 /nfs/dbraw/zinc/15/64/12/559156412.db2.gz FCSGPOBPTKGRGB-VQERKYHCSA-N 0 1 407.474 2.656 40 10 HFCBMN O=C1NC(=O)C(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C(=O)N1 ZINC000408801191 560642439 /nfs/dbraw/zinc/64/24/39/560642439.db2.gz SBGZVQCLKOXXPK-UHFFFAOYSA-N 0 1 401.762 2.577 40 10 HFCBMN CCOc1cc2c(cc1/C=C1/C(=O)NC(=S)N(c3ccc(C)cc3)C1=O)OCO2 ZINC000409113156 560678269 /nfs/dbraw/zinc/67/82/69/560678269.db2.gz GWMMKTMWZDSUMJ-NVNXTCNLSA-N 0 1 410.451 2.954 40 10 HFCBMN Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1C[C@@H]1CCCO1 ZINC000409206416 560691131 /nfs/dbraw/zinc/69/11/31/560691131.db2.gz JHEYSNWASCPJDW-GUBFPNNNSA-N 0 1 407.470 2.946 40 10 HFCBMN Cc1ccc(OCCOc2ccc(Cl)cc2C=C2C(=O)NC(=O)NC2=O)cc1 ZINC000005746145 560738449 /nfs/dbraw/zinc/73/84/49/560738449.db2.gz BFVMSROYDBKOAG-UHFFFAOYSA-N 0 1 400.818 2.856 40 10 HFCBMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1SC(=S)N(C[C@@H]2CCCO2)C1=O ZINC000100149960 569012449 /nfs/dbraw/zinc/01/24/49/569012449.db2.gz FVKSMGCGVGWZEW-BMWRIWPGSA-N 0 1 401.513 2.949 40 10 HFCBMN COC(=O)[C@@H](C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl ZINC000033562963 569360146 /nfs/dbraw/zinc/36/01/46/569360146.db2.gz JOWVFLNSZNFICN-DYTQJMLRSA-N 0 1 400.818 2.742 40 10 HFCBMN COc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OC)cc3C)C(=O)NC2=S)cc1 ZINC000408549830 557396704 /nfs/dbraw/zinc/39/67/04/557396704.db2.gz ZWLZFDPTZPMIBM-MHWRWJLKSA-N 0 1 412.467 2.852 40 10 HFCBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OC(=O)c1ccco1 ZINC000005879788 557678779 /nfs/dbraw/zinc/67/87/79/557678779.db2.gz VUNJHOBREMNVOV-VBKFSLOCSA-N 0 1 404.378 2.969 40 10 HFCBMN CN(C)C(=O)c1ccc(NC(=S)NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000225777344 568673869 /nfs/dbraw/zinc/67/38/69/568673869.db2.gz XIPRACDKDCYVDQ-UHFFFAOYSA-N 0 1 411.575 2.627 40 10 HFCBMN CCn1ccc(C(=O)N2CCC[C@H](c3[nH]ncc3C(=O)N(C)c3ccccc3)C2)n1 ZINC000257260387 568792949 /nfs/dbraw/zinc/79/29/49/568792949.db2.gz LCQGTJZSQQJNKB-INIZCTEOSA-N 0 1 406.490 2.923 40 10 HFCBMN Cc1cc(NC=C2C(=O)NC(=O)N(CCc3ccccc3)C2=O)cc([N+](=O)[O-])c1C ZINC000408526586 557288062 /nfs/dbraw/zinc/28/80/62/557288062.db2.gz CPPGPHZOGCUAMN-SFQUDFHCSA-N 0 1 408.414 2.829 40 10 HFCBMN Cc1cc(NC=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1Br ZINC000408547111 557370172 /nfs/dbraw/zinc/37/01/72/557370172.db2.gz YWGBRGBBFFTBBR-JYRVWZFOSA-N 0 1 404.220 2.925 40 10 HFCBMN Cc1cccc(N2NC(=O)/C(=C/c3ccc(-c4ccc5c(c4)C(=O)NC5=O)o3)C2=O)c1 ZINC000006924258 557730247 /nfs/dbraw/zinc/73/02/47/557730247.db2.gz UUUBRUWAILMCTE-WQRHYEAKSA-N 0 1 413.389 2.600 40 10 HFCBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)o3)C(=O)NC2=S)c1 ZINC000409020531 560666710 /nfs/dbraw/zinc/66/67/10/560666710.db2.gz QFNODVDFXMHIOW-SFQUDFHCSA-N 0 1 411.483 2.564 40 10 HFCBMN CCOC(=O)Cn1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c2ccccc21 ZINC000409204233 560693970 /nfs/dbraw/zinc/69/39/70/560693970.db2.gz DTCAOMMIXMHTAT-BOPFTXTBSA-N 0 1 409.442 2.609 40 10 HFCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc(OC)c1O ZINC000409240514 560699945 /nfs/dbraw/zinc/69/99/45/560699945.db2.gz LAJMPYYDAFVHBK-YRNVUSSQSA-N 0 1 418.858 2.894 40 10 HFCBMN CN1CCN(c2ccc(CNS(=O)(=O)Cc3c(F)cccc3Cl)cc2)CC1 ZINC000216948722 568469696 /nfs/dbraw/zinc/46/96/96/568469696.db2.gz YCMDZCWSAFMDHJ-UHFFFAOYSA-N 0 1 411.930 2.851 40 10 HFCBMN Cc1ccc(O)c(CN2CCO[C@](COc3cccc(Cl)c3)(CC(N)=O)C2)c1 ZINC000257321005 568810639 /nfs/dbraw/zinc/81/06/39/568810639.db2.gz VZRIFVXNFAKQBE-OAQYLSRUSA-N 0 1 404.894 2.879 40 10 HFCBMN COc1cc(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OC ZINC000035112860 569360829 /nfs/dbraw/zinc/36/08/29/569360829.db2.gz BSJSPBMKFJFYGL-ZROIWOOFSA-N 0 1 403.232 2.928 40 10 HFCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1O ZINC000015219360 132461427 /nfs/dbraw/zinc/46/14/27/132461427.db2.gz QWKAJNXWSRPKDX-NTUHNPAUSA-N 0 1 418.858 2.894 40 10 HFCBMN Cc1c(C)c([N+](=O)[O-])ccc1NC=C1C(=O)NC(=O)N(CCc2ccccc2)C1=O ZINC000408528389 557296529 /nfs/dbraw/zinc/29/65/29/557296529.db2.gz FWZXALDSLBGPHZ-FOWTUZBSSA-N 0 1 408.414 2.829 40 10 HFCBMN Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1C=Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000408532074 557310539 /nfs/dbraw/zinc/31/05/39/557310539.db2.gz POICKEAGLMEHOZ-UVTDQMKNSA-N 0 1 424.392 2.643 40 10 HFCBMN CCOc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccc(OC)cc2OC)C1=O ZINC000409065631 560672308 /nfs/dbraw/zinc/67/23/08/560672308.db2.gz JUPDRMGFEKRFDU-RVDMUPIBSA-N 0 1 412.467 2.934 40 10 HFCBMN COc1cc2c(cc1/C=C1/C(=O)NC(=S)N(c3ccc(C)cc3C)C1=O)OCO2 ZINC000409072875 560673455 /nfs/dbraw/zinc/67/34/55/560673455.db2.gz NVUBBAQJSOAVMH-AUWJEWJLSA-N 0 1 410.451 2.872 40 10 HFCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3)C(=O)NC2=S)cc1 ZINC000409104037 560675568 /nfs/dbraw/zinc/67/55/68/560675568.db2.gz IFXHINWDMCFNTO-HMMYKYKNSA-N 0 1 421.522 2.917 40 10 HFCBMN COc1cc(C)c(S(=O)(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1C ZINC000223297035 568544355 /nfs/dbraw/zinc/54/43/55/568544355.db2.gz MRALZEXRSGVEDF-UHFFFAOYSA-N 0 1 403.548 2.542 40 10 HFCBMN CC(C)C(=O)Nc1nnc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)s1 ZINC000223420461 568548421 /nfs/dbraw/zinc/54/84/21/568548421.db2.gz UUGBISVUISNOIC-UHFFFAOYSA-N 0 1 423.564 2.601 40 10 HFCBMN C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cc(=O)[nH]c(-c2ccncc2)n1 ZINC000019458475 558892662 /nfs/dbraw/zinc/89/26/62/558892662.db2.gz GXTSADQHLNFFNK-OAHLLOKOSA-N 0 1 409.465 2.658 40 10 HFCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc(OC)c1OC ZINC000408916335 560654264 /nfs/dbraw/zinc/65/42/64/560654264.db2.gz CCPMLDZRJRJLTO-ZSOIEALJSA-N 0 1 416.430 2.683 40 10 HFCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc(OC)c1O ZINC000409139758 560683313 /nfs/dbraw/zinc/68/33/13/560683313.db2.gz ONXTZNVTYIMYKT-RIYZIHGNSA-N 0 1 412.467 2.858 40 10 HFCBMN COC(=O)C=C1NN(c2ccccc2)C([O-])=C1C(C)=[NH+]CCOc1ccccc1OC ZINC000017093557 560868162 /nfs/dbraw/zinc/86/81/62/560868162.db2.gz AOMKRYVQLKICQQ-JWGURIENSA-N 0 1 423.469 2.904 40 10 HFCBMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1SC(=S)N(C[C@H]2CCCO2)C1=O ZINC000005427295 568443425 /nfs/dbraw/zinc/44/34/25/568443425.db2.gz FVKSMGCGVGWZEW-LTAXBSGQSA-N 0 1 401.513 2.949 40 10 HFCBMN CCOC(=O)COc1ccc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O ZINC000035403177 569360715 /nfs/dbraw/zinc/36/07/15/569360715.db2.gz FBKKRHJPELHBPT-WJDWOHSUSA-N 0 1 400.818 2.743 40 10 HFCBMN O=C(Nc1ccc([C@@H](O)CN2CCN(c3ccc4c(c3)OCCO4)CC2)cc1)C1CC1 ZINC000019332401 558868727 /nfs/dbraw/zinc/86/87/27/558868727.db2.gz HLAHWQVCPIHEOR-NRFANRHFSA-N 0 1 423.513 2.662 40 10 HFCBMN Cc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000409000382 560663754 /nfs/dbraw/zinc/66/37/54/560663754.db2.gz SVLGYMQEEZJEJH-QPEQYQDCSA-N 0 1 402.794 2.747 40 10 HFCBMN COc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)C(=O)NC2=S)c(OC)c1 ZINC000409064976 560672189 /nfs/dbraw/zinc/67/21/89/560672189.db2.gz JUGGHTZRMZVHSL-WJDWOHSUSA-N 0 1 411.483 2.601 40 10 HFCBMN O=C1NC(=O)C(=Cc2c(Oc3nc(Cl)ncc3F)ccc3ccccc32)C(=O)N1 ZINC000409066428 560672409 /nfs/dbraw/zinc/67/24/09/560672409.db2.gz VNULOUXGLUGGPK-UHFFFAOYSA-N 0 1 412.764 2.964 40 10 HFCBMN Cc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCOCC3)c(C)c2)C(=O)NC1=S ZINC000409248859 560701982 /nfs/dbraw/zinc/70/19/82/560701982.db2.gz RTIAPIJKDIVPCL-NBVRZTHBSA-N 0 1 421.522 2.971 40 10 HFCBMN CN1CCN(c2ccc(CNC(=O)COc3ccc(Br)cc3)cc2)CC1 ZINC000216950317 568469729 /nfs/dbraw/zinc/46/97/29/568469729.db2.gz BZTMTPBZVGOKJH-UHFFFAOYSA-N 0 1 418.335 2.896 40 10 HFCBMN CC(C)[C@H](C(=O)NCCc1cnc[nH]1)N1C(=O)C(=Cc2ccco2)SC1=S ZINC000006907192 569178509 /nfs/dbraw/zinc/17/85/09/569178509.db2.gz YIILIHXGRPELRG-CKNOQMABSA-N 0 1 404.517 2.587 40 10 HFCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)OC)cc3)C(=O)NC2=S)cc1 ZINC000108935862 569353627 /nfs/dbraw/zinc/35/36/27/569353627.db2.gz LRYDTOAOYUVQJZ-LDADJPATSA-N 0 1 424.478 2.632 40 10 HFCBMN COC(=O)[C@@H](C)Oc1ccc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O ZINC000108134365 569361266 /nfs/dbraw/zinc/36/12/66/569361266.db2.gz GFYRITJVNZKQGO-COOUDCDJSA-N 0 1 400.818 2.742 40 10 HFCBMN COc1ccc(N2CCN(C[C@H](O)c3ccc4c(c3)CCCN4C(C)=O)CC2)cc1 ZINC000057811730 558890975 /nfs/dbraw/zinc/89/09/75/558890975.db2.gz MBUKPMGCJQMNDS-DEOSSOPVSA-N 0 1 409.530 2.850 40 10 HFCBMN O=C1NC(=O)C(=Cc2ccc(OCc3cccc(F)c3)c(Br)c2)C(=O)N1 ZINC000408883182 560650030 /nfs/dbraw/zinc/65/00/30/560650030.db2.gz UBAKVVFGQKYMOB-UHFFFAOYSA-N 0 1 419.206 2.917 40 10 HFCBMN Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000408998205 560663348 /nfs/dbraw/zinc/66/33/48/560663348.db2.gz UASGYLDJIJYCAZ-UHFFFAOYSA-N 0 1 402.248 2.914 40 10 HFCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccccc3O)C2=O)cc1OC ZINC000409146268 560684680 /nfs/dbraw/zinc/68/46/80/560684680.db2.gz KKQGQSBPCDLNKG-FOWTUZBSSA-N 0 1 410.426 2.852 40 10 HFCBMN CCOC(=O)COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl ZINC000107890043 569361167 /nfs/dbraw/zinc/36/11/67/569361167.db2.gz XZZQVXUQFPFPHO-GDNBJRDFSA-N 0 1 400.818 2.743 40 10 HFCBMN Cc1ccc(NC=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c(Br)c1 ZINC000408547050 557369996 /nfs/dbraw/zinc/36/99/96/557369996.db2.gz HSALUWAYLOTZKT-WQLSENKSSA-N 0 1 404.220 2.925 40 10 HFCBMN O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C\c1ccc(I)o1 ZINC000015013932 558701355 /nfs/dbraw/zinc/70/13/55/558701355.db2.gz UDEPJIDOLZBNTB-FLIBITNWSA-N 0 1 414.199 2.679 40 10 HFCBMN COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Br)cc(Br)c1O ZINC000016606769 558796573 /nfs/dbraw/zinc/79/65/73/558796573.db2.gz XUHWBBMNKLFBAT-JTQLQIEISA-N 0 1 420.057 2.718 40 10 HFCBMN CC(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)s1 ZINC000224494615 568582795 /nfs/dbraw/zinc/58/27/95/568582795.db2.gz DXYNFIMUKPOHIY-ZDUSSCGKSA-N 0 1 423.564 2.772 40 10 HFCBMN CN1CCc2cc([C@H](CNC(=O)c3ccc(F)c(F)c3)N3CCN(C)CC3)ccc21 ZINC000022733766 557807661 /nfs/dbraw/zinc/80/76/61/557807661.db2.gz WDSGONXPIPDXFP-QFIPXVFZSA-N 0 1 414.500 2.676 40 10 HFCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3C)C(=O)NC2=S)cc1 ZINC000409070671 560673249 /nfs/dbraw/zinc/67/32/49/560673249.db2.gz GIMGDPFJALYLEC-XSFVSMFZSA-N 0 1 421.522 2.971 40 10 HFCBMN COc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3ccccc3Cl)C1=O)OCO2 ZINC000409240101 560699923 /nfs/dbraw/zinc/69/99/23/560699923.db2.gz JPRFKFBLPDJLHJ-IZZDOVSWSA-N 0 1 416.842 2.909 40 10 HFCBMN COc1cc(OC)c(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(OC)c1 ZINC000409239976 560699982 /nfs/dbraw/zinc/69/99/82/560699982.db2.gz IVFNMMUQZCZOBT-RVDMUPIBSA-N 0 1 412.467 2.852 40 10 HFCBMN CCN1C(=O)NC(=O)/C(=C\c2cn(CC(=O)N3CCCCCC3)c3ccccc23)C1=O ZINC000006517615 560744003 /nfs/dbraw/zinc/74/40/03/560744003.db2.gz 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560643776 /nfs/dbraw/zinc/64/37/76/560643776.db2.gz GIRGVGMFZWEEFN-UHFFFAOYSA-N 0 1 401.216 2.778 40 10 HFCBMN COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1OC(=O)c1cccc2ccccc21 ZINC000408889266 560650140 /nfs/dbraw/zinc/65/01/40/560650140.db2.gz BXVOORCGEAZHOZ-UHFFFAOYSA-N 0 1 416.389 2.817 40 10 HFCBMN O=C1NC(=O)C(=Cc2ccc(OCc3ccccc3Br)cc2)C(=O)N1 ZINC000408889223 560650154 /nfs/dbraw/zinc/65/01/54/560650154.db2.gz BMXQGGFPDOLJPE-UHFFFAOYSA-N 0 1 401.216 2.778 40 10 HFCBMN O=C1NC(=O)C(=Cc2ccccc2OCc2ccccc2Br)C(=O)N1 ZINC000408891609 560650304 /nfs/dbraw/zinc/65/03/04/560650304.db2.gz TZQJIINMNMYMMJ-UHFFFAOYSA-N 0 1 401.216 2.778 40 10 HFCBMN CCc1ccccc1N1C(=O)/C(=C\c2cc3c(cc2OC)OCO3)C(=O)NC1=S ZINC000409100924 560677088 /nfs/dbraw/zinc/67/70/88/560677088.db2.gz XFUKYOHKFSNYLB-ZSOIEALJSA-N 0 1 410.451 2.818 40 10 HFCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(O)cc3)C2=O)cc1OC ZINC000409130993 560681879 /nfs/dbraw/zinc/68/18/79/560681879.db2.gz OTQWFJFIBCNYTN-GZTJUZNOSA-N 0 1 410.426 2.852 40 10 HFCBMN COC(=O)C=C1NN(c2ccc(OC)cc2)C([O-])=C1C(C)=[NH+]CCCOC(C)C ZINC000017082662 560862132 /nfs/dbraw/zinc/86/21/32/560862132.db2.gz QFTIXHVXLOLEKC-HKWRFOASSA-N 0 1 403.479 2.640 40 10 HFCBMN O=C1NC(=O)C(=Cc2ccc(Cc3cccc(F)c3)c(Br)c2)C(=O)N1 ZINC000408876043 560649334 /nfs/dbraw/zinc/64/93/34/560649334.db2.gz IWASAPVLJDDXTB-UHFFFAOYSA-N 0 1 403.207 2.928 40 10 HFCBMN CC(=O)Nc1nnc(S(=O)(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)s1 ZINC000223120413 568538251 /nfs/dbraw/zinc/53/82/51/568538251.db2.gz CBBIXCPUUQSSCP-CHWSQXEVSA-N 0 1 423.564 2.772 40 10 HFCBMN CCn1ccc(C(=O)N2CCC[C@@H](c3[nH]ncc3C(=O)N(C)c3ccccc3)C2)n1 ZINC000257260388 568793138 /nfs/dbraw/zinc/79/31/38/568793138.db2.gz LCQGTJZSQQJNKB-MRXNPFEDSA-N 0 1 406.490 2.923 40 10 HFCBMN O=C(C[C@H]1SC(=O)N(c2ccc(O)cc2)C1=O)Nc1ccc([N+](=O)[O-])cc1O ZINC000016926219 569047085 /nfs/dbraw/zinc/04/70/85/569047085.db2.gz QTBBCMRYQMRGHZ-CQSZACIVSA-N 0 1 403.372 2.603 40 10 HFCBMN COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=O)N(Cc2ccco2)C1=O ZINC000107723437 569360888 /nfs/dbraw/zinc/36/08/88/569360888.db2.gz FEUNJUZXSCDEAN-LDADJPATSA-N 0 1 409.442 2.941 40 10 HFCBMN CCOc1cccc(N2C(=O)/C(=C/c3ccc(C(=O)OC)cc3)C(=O)NC2=S)c1 ZINC000408740241 557806104 /nfs/dbraw/zinc/80/61/04/557806104.db2.gz FEEMHISIPSQCRD-GZTJUZNOSA-N 0 1 410.451 2.703 40 10 HFCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OC ZINC000408755394 557817334 /nfs/dbraw/zinc/81/73/34/557817334.db2.gz UPEQQRWDUZJBLG-WJDWOHSUSA-N 0 1 412.467 2.934 40 10 HFCBMN COc1ccc(N2CCN(C[C@H](O)COCCOc3c(C)cccc3C)CC2)cc1 ZINC000022608905 559261936 /nfs/dbraw/zinc/26/19/36/559261936.db2.gz ULOFMMSSDWYEDX-QFIPXVFZSA-N 0 1 414.546 2.891 40 10 HFCBMN O=C1NC(=O)C(=Cc2ccc(Cc3ccccc3F)c(Br)c2)C(=O)N1 ZINC000408877903 560649654 /nfs/dbraw/zinc/64/96/54/560649654.db2.gz XVTYMIYCGSDXJR-UHFFFAOYSA-N 0 1 403.207 2.928 40 10 HFCBMN COc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(C)c3)C(=O)NC2=S)c(OC)c1 ZINC000409099085 560676380 /nfs/dbraw/zinc/67/63/80/560676380.db2.gz RWDBBABUAOMOHC-XNTDXEJSSA-N 0 1 412.467 2.852 40 10 HFCBMN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cccn2C)C(=O)NC1=S ZINC000409108329 560678906 /nfs/dbraw/zinc/67/89/06/560678906.db2.gz WCLPTYOUPVDICG-UKTHLTGXSA-N 0 1 404.289 2.927 40 10 HFCBMN COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)N=c1[nH]cccc1C ZINC000112286493 560777882 /nfs/dbraw/zinc/77/78/82/560777882.db2.gz ALBUQEAKFWJCTL-AQTBWJFISA-N 0 1 409.402 2.950 40 10 HFCBMN O=C1NC(=O)C(=Cc2ccc(OCc3ccccc3)c(Br)c2)C(=O)N1 ZINC000005773773 557673913 /nfs/dbraw/zinc/67/39/13/557673913.db2.gz JIGHPWXRBNFYNJ-UHFFFAOYSA-N 0 1 401.216 2.778 40 10 HFCBMN O=S(=O)(Nc1ncccn1)c1ccc(/N=N\Sc2ncnc3[nH]cnc32)cc1 ZINC000104094633 559157981 /nfs/dbraw/zinc/15/79/81/559157981.db2.gz OAJOBYKZDAPCKF-GYHWCHFESA-N 0 1 413.448 2.735 40 10 HFCBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OC ZINC000409409822 560721132 /nfs/dbraw/zinc/72/11/32/560721132.db2.gz XLYSHHVIYQVUTL-JYRVWZFOSA-N 0 1 403.232 2.928 40 10 HFCBMN CCOC(=O)[C@@H](C)Oc1cc(N(C)C)ccc1/C=C1/C(=O)NN(c2ccccc2)C1=O ZINC000033768011 569360532 /nfs/dbraw/zinc/36/05/32/569360532.db2.gz VZZZGKZUCCGNOD-JPVKTXQWSA-N 0 1 423.469 2.544 40 10 HFCBMN CC(=O)Nc1nnc(S(=O)(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)s1 ZINC000225876115 519753505 /nfs/dbraw/zinc/75/35/05/519753505.db2.gz QNOSTHOPFYOQNC-GFCCVEGCSA-N 0 1 409.537 2.526 40 10 HFCBMN COc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(C)c3OC)C(=O)NC2=S)cc1 ZINC000005881674 536657508 /nfs/dbraw/zinc/65/75/08/536657508.db2.gz IQCALJMDBZJGBE-LFIBNONCSA-N 0 1 412.467 2.852 40 10 HFCBMN CCOc1cccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3)C(=O)NC2=S)c1 ZINC000408741429 557807968 /nfs/dbraw/zinc/80/79/68/557807968.db2.gz PSNDJAWQDKPAEQ-MHWRWJLKSA-N 0 1 412.467 2.934 40 10 HFCBMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)C1=CNc1ccc2c(c1)OCO2 ZINC000016398890 558789752 /nfs/dbraw/zinc/78/97/52/558789752.db2.gz NYUZTVDRDCJWCF-JYRVWZFOSA-N 0 1 401.831 2.812 40 10 HFCBMN O=C1NC(=O)C(=Cc2cc(Cl)ccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1 ZINC000408801758 560642515 /nfs/dbraw/zinc/64/25/15/560642515.db2.gz VPIXKTLSALAQMZ-UHFFFAOYSA-N 0 1 401.762 2.577 40 10 HFCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(O)c(Br)c1 ZINC000408885991 560649913 /nfs/dbraw/zinc/64/99/13/560649913.db2.gz CISKOXHFDMOESB-WQLSENKSSA-N 0 1 403.257 2.986 40 10 HFCBMN Cc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccccc1Br ZINC000408993048 560662895 /nfs/dbraw/zinc/66/28/95/560662895.db2.gz BQDCGNFDQSAPIX-LCYFTJDESA-N 0 1 402.248 2.948 40 10 HFCBMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(N2CCOCC2)o1 ZINC000409242799 560702608 /nfs/dbraw/zinc/70/26/08/560702608.db2.gz VUZYXRHOFLXINE-ACCUITESSA-N 0 1 417.874 2.601 40 10 HFCBMN CCN1CCN([C@@H](c2nnnn2CCc2ccccc2)c2ccc(N(C)C)cc2)CC1 ZINC000020142267 560881602 /nfs/dbraw/zinc/88/16/02/560881602.db2.gz MKIJAOSWIHUTJA-HSZRJFAPSA-N 0 1 419.577 2.709 40 10 HFCBMN COc1cc(/C=C2\C(=O)NC(=O)N(CCc3ccccc3)C2=O)cc(Cl)c1O ZINC000002773566 568931981 /nfs/dbraw/zinc/93/19/81/568931981.db2.gz VEQINWYEUXXIBF-NTEUORMPSA-N 0 1 400.818 2.759 40 10 HFCBMN CC(=O)Oc1ccc(Br)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O ZINC000107916875 569361036 /nfs/dbraw/zinc/36/10/36/569361036.db2.gz IUERJBPJNFGKSG-GDNBJRDFSA-N 0 1 401.216 2.836 40 10 HFCBMN