smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cccc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1OC ZINC000001192697 132380909 /nfs/dbraw/zinc/38/09/09/132380909.db2.gz FDYOZZGPRUWQHX-RVDMUPIBSA-N 0 2 366.373 3.519 40 10 FHCBLN CC(=C\c1ccccc1)/C=C1\C(=O)NC(=O)N(c2cc(C)cc(C)c2)C1=O ZINC000408779754 570686982 /nfs/dbraw/zinc/68/69/82/570686982.db2.gz JUJPTZODIBTGIG-FTPCPCPPSA-N 0 2 360.413 3.916 40 10 FHCBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(Cl)cc1 ZINC000004209186 132386522 /nfs/dbraw/zinc/38/65/22/132386522.db2.gz VLWYCLRJYNSRKG-ZROIWOOFSA-N 0 2 361.184 3.660 40 10 FHCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3c(C)cc(C)cc3C)C2=O)cc1 ZINC000408982584 570707451 /nfs/dbraw/zinc/70/74/51/570707451.db2.gz IBKHGOMBNYJCBV-UNOMPAQXSA-N 0 2 362.429 3.841 40 10 FHCBLN O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cccs1 ZINC000409074058 570719725 /nfs/dbraw/zinc/71/97/25/570719725.db2.gz RQYRVQOJDWZCBZ-VQHVLOKHSA-N 0 2 367.213 3.721 40 10 FHCBLN O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(Cl)cc1 ZINC000409214907 570741580 /nfs/dbraw/zinc/74/15/80/570741580.db2.gz ZPCZSGUDYLUEFK-RIYZIHGNSA-N 0 2 361.184 3.660 40 10 FHCBLN O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1c(Cl)cccc1Cl ZINC000409211890 263541782 /nfs/dbraw/zinc/54/17/82/263541782.db2.gz ONXSTCJZBXHJOX-FMIVXFBMSA-N 0 2 361.184 3.660 40 10 FHCBLN Cc1cc(C)c(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)c1 ZINC000408785969 570687403 /nfs/dbraw/zinc/68/74/03/570687403.db2.gz CWAHSIHCFGTLHG-YBFXNURJSA-N 0 2 362.429 3.895 40 10 FHCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(Cl)c3)C2=O)c(C)c1 ZINC000408869345 570694104 /nfs/dbraw/zinc/69/41/04/570694104.db2.gz RCPKINPWBKVJEL-XNTDXEJSSA-N 0 2 354.793 3.623 40 10 FHCBLN Cc1c(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)c2ccccc2n1C ZINC000059250095 571306569 /nfs/dbraw/zinc/30/65/69/571306569.db2.gz KHZNHGFQAUZYIY-SFQUDFHCSA-N 0 2 359.385 3.993 40 10 FHCBLN CC1=NN(c2ccccc2)C(=O)C1C=Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000100930847 570509235 /nfs/dbraw/zinc/50/92/35/570509235.db2.gz WTAAMJHQJHHTBO-UVTDQMKNSA-N 0 2 356.769 3.967 40 10 FHCBLN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1C(C)=Nc1cccnc1 ZINC000112117404 570810750 /nfs/dbraw/zinc/81/07/50/570810750.db2.gz CWWKGLMYEPTNAR-AQTBWJFISA-N 0 2 365.393 3.879 40 10 FHCBLN CCCc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)=Nc1cccnc1 ZINC000112117404 570810752 /nfs/dbraw/zinc/81/07/52/570810752.db2.gz CWWKGLMYEPTNAR-AQTBWJFISA-N 0 2 365.393 3.879 40 10 FHCBLN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1cccnc1 ZINC000112117404 570810755 /nfs/dbraw/zinc/81/07/55/570810755.db2.gz CWWKGLMYEPTNAR-AQTBWJFISA-N 0 2 365.393 3.879 40 10 FHCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(C)c1O ZINC000038172352 571309829 /nfs/dbraw/zinc/30/98/29/571309829.db2.gz QDDGRTCMEUEUQP-UKTHLTGXSA-N 0 2 354.337 3.655 40 10 FHCBLN O=C1/C(=C\c2cccc([N+](=O)[O-])c2O)SC(=S)N1C1CCCCC1 ZINC000113830406 263451647 /nfs/dbraw/zinc/45/16/47/263451647.db2.gz FQHHCNNNZGHCGG-UKTHLTGXSA-N 0 2 364.448 3.834 40 10 FHCBLN COc1ccc(N=CC2C(=O)N(c3cccc(C)c3)N=C2C)c([N+](=O)[O-])c1 ZINC000408531327 570512764 /nfs/dbraw/zinc/51/27/64/570512764.db2.gz KHPLSKAVTDSQQM-WJDWOHSUSA-N 0 2 366.377 3.630 40 10 FHCBLN Cc1ccccc1N1C(=O)NC(=O)C(=CNc2cccc3ccccc32)C1=O ZINC000408533867 570515312 /nfs/dbraw/zinc/51/53/12/570515312.db2.gz PKGJSVGZHSUAKI-GHRIWEEISA-N 0 2 371.396 3.727 40 10 FHCBLN COc1ccccc1C=C1C(=O)NC(=O)N(c2ccc(C)cc2C)C1=O ZINC000059860326 571091959 /nfs/dbraw/zinc/09/19/59/571091959.db2.gz CTSRPGHCNCOLJU-RVDMUPIBSA-N 0 2 350.374 3.819 40 10 FHCBLN Cc1cccc(NC2=NC(=O)C(=Cc3ccc(O)c([N+](=O)[O-])c3)S2)c1 ZINC000207537988 206292549 /nfs/dbraw/zinc/29/25/49/206292549.db2.gz TZYAXPZTEXHOMF-DHDCSXOGSA-N 0 2 355.375 3.691 40 10 FHCBLN CCOc1ccc(C=C2C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1 ZINC000027839585 136151628 /nfs/dbraw/zinc/15/16/28/136151628.db2.gz YRGYDMQHZRWFOE-KAMYIIQDSA-N 0 2 354.337 3.731 40 10 FHCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(Cl)c3)C2=O)cc1C ZINC000408852488 263502063 /nfs/dbraw/zinc/50/20/63/263502063.db2.gz GGYWYQSBFVJJOD-MHWRWJLKSA-N 0 2 354.793 3.623 40 10 FHCBLN CC(=C\c1ccccc1)/C=C1\C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000408851790 570691949 /nfs/dbraw/zinc/69/19/49/570691949.db2.gz GFORCIHZAXGSQN-UFTLPMNOSA-N 0 2 360.413 3.916 40 10 FHCBLN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)cc([N+](=O)[O-])c1O ZINC000107526231 570789900 /nfs/dbraw/zinc/78/99/00/570789900.db2.gz JKEILAACLZLMTC-ZSOIEALJSA-N 0 2 357.753 3.760 40 10 FHCBLN O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(Cl)cc1Cl ZINC000013550051 570833277 /nfs/dbraw/zinc/83/32/77/570833277.db2.gz BWZNPWFJNYGIMW-JYRVWZFOSA-N 0 2 361.184 3.660 40 10 FHCBLN Cc1ccc(NC2=NC(=O)C(=Cc3ccc(O)c([N+](=O)[O-])c3)S2)c(C)c1 ZINC000210008910 568224461 /nfs/dbraw/zinc/22/44/61/568224461.db2.gz IWOKVMBYDDSSRA-SXGWCWSVSA-N 0 2 369.402 4.000 40 10 FHCBLN COc1ccc([N+](=O)[O-])cc1N=CC1C(=O)N(c2cccc(C)c2)N=C1C ZINC000408535517 570518060 /nfs/dbraw/zinc/51/80/60/570518060.db2.gz YSLNOVQUDKBCJW-WJDWOHSUSA-N 0 2 366.377 3.630 40 10 FHCBLN CC(=C\c1ccco1)/C=C1\C(=O)NC(=O)N(c2cc(C)cc(C)c2)C1=O ZINC000408899319 570696196 /nfs/dbraw/zinc/69/61/96/570696196.db2.gz OJHUHLUKPCEWAK-JMRZXEDWSA-N 0 2 350.374 3.509 40 10 FHCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000408982353 570707341 /nfs/dbraw/zinc/70/73/41/570707341.db2.gz DJLPISLYLGNQEB-WJDWOHSUSA-N 0 2 354.793 3.569 40 10 FHCBLN COc1cccc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)c1 ZINC000059859870 571091982 /nfs/dbraw/zinc/09/19/82/571091982.db2.gz YFPCXWWECVXAKH-LFIBNONCSA-N 0 2 350.374 3.819 40 10 FHCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(C)c1O ZINC000038185990 571309794 /nfs/dbraw/zinc/30/97/94/571309794.db2.gz FUQLRJTVNUXBAU-XNTDXEJSSA-N 0 2 350.374 3.824 40 10 FHCBLN CC1=NN(c2ccccc2)C(=O)C1=CNc1cccc(Br)c1O ZINC000102570226 209237900 /nfs/dbraw/zinc/23/79/00/209237900.db2.gz LVSFNHWACDBNNL-JLHYYAGUSA-N 0 2 372.222 3.873 40 10 FHCBLN Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1cccc(Br)c1O ZINC000102570226 209237905 /nfs/dbraw/zinc/23/79/05/209237905.db2.gz LVSFNHWACDBNNL-JLHYYAGUSA-N 0 2 372.222 3.873 40 10 FHCBLN Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(F)cc3)C2=O)cc1C ZINC000102555246 132235260 /nfs/dbraw/zinc/23/52/60/132235260.db2.gz NDKHXJDZESTRET-MHWRWJLKSA-N 0 2 353.353 3.862 40 10 FHCBLN O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cccc(Cl)c1 ZINC000408876997 570694840 /nfs/dbraw/zinc/69/48/40/570694840.db2.gz RXENYSUNDMDQOU-FMIVXFBMSA-N 0 2 361.184 3.660 40 10 FHCBLN CCOC(=O)c1ccc(N=C(C)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1 ZINC000112116877 570810319 /nfs/dbraw/zinc/81/03/19/570810319.db2.gz RGPVIGGMDUVHLV-RGEXLXHISA-N 0 2 363.417 3.972 40 10 FHCBLN Cc1ccc(C)c(N2C(=O)NC(=O)C(=CNc3cccc(Cl)c3)C2=O)c1 ZINC000408535541 570518033 /nfs/dbraw/zinc/51/80/33/570518033.db2.gz TXIWLTXUJWYDIP-XNTDXEJSSA-N 0 2 369.808 3.536 40 10 FHCBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cccc(Cl)c3)C2=O)c1 ZINC000408779334 570686817 /nfs/dbraw/zinc/68/68/17/570686817.db2.gz CWNAXQUXHYDUTJ-MHWRWJLKSA-N 0 2 354.793 3.623 40 10 FHCBLN Cc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1 ZINC000408988920 570708541 /nfs/dbraw/zinc/70/85/41/570708541.db2.gz SDHOKPSTFBBWCX-DHDCSXOGSA-N 0 2 354.793 3.623 40 10 FHCBLN CCOC(=O)c1ccc(N=N[C@@H]2C(=O)N(c3ccccc3)N=C2C)cc1 ZINC000104090995 570772688 /nfs/dbraw/zinc/77/26/88/570772688.db2.gz JBMWOJWZSMCBJJ-UNEBPCJRSA-N 0 2 350.378 3.738 40 10 FHCBLN CCOc1ccccc1C=C1C(=O)NC(=O)N(c2ccccc2C)C1=O ZINC000006965148 570788821 /nfs/dbraw/zinc/78/88/21/570788821.db2.gz MBOJIMJTOSEDMQ-NTCAYCPXSA-N 0 2 350.374 3.900 40 10 FHCBLN COc1ccc(OC)c(N=C(C)C2C(C)=NN(c3ccccc3)C2=O)c1 ZINC000112114588 570810255 /nfs/dbraw/zinc/81/02/55/570810255.db2.gz UTOMQCKVVHIUOX-UYRXBGFRSA-N 0 2 351.406 3.812 40 10 FHCBLN COc1ccc(OC)c(N=C(C)c2c(C)[nH]n(-c3ccccc3)c2=O)c1 ZINC000112114588 570810258 /nfs/dbraw/zinc/81/02/58/570810258.db2.gz UTOMQCKVVHIUOX-UYRXBGFRSA-N 0 2 351.406 3.812 40 10 FHCBLN O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)C1=Cc1ccc(Cl)cc1 ZINC000016400291 570855624 /nfs/dbraw/zinc/85/56/24/570855624.db2.gz PKOZJOLYJKPKOL-ZROIWOOFSA-N 0 2 371.736 3.755 40 10 FHCBLN CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)cc1 ZINC000005383174 207099092 /nfs/dbraw/zinc/09/90/92/207099092.db2.gz LSTIIRLZDYNRLM-UHFFFAOYSA-N 0 2 373.459 3.569 40 10 FHCBLN CCOc1cccc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1O ZINC000038166742 136118601 /nfs/dbraw/zinc/11/86/01/136118601.db2.gz FNWLFFBPRHXVLU-RVDMUPIBSA-N 0 2 366.373 3.606 40 10 FHCBLN O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccsc1 ZINC000409121211 570728050 /nfs/dbraw/zinc/72/80/50/570728050.db2.gz XEAJNSYQIGAZIH-RMKNXTFCSA-N 0 2 367.213 3.721 40 10 FHCBLN O=C1/C(=C/c2cc([N+](=O)[O-])ccc2O)SC(=S)N1Cc1ccccc1 ZINC000015357003 570838353 /nfs/dbraw/zinc/83/83/53/570838353.db2.gz DWBJPCRWKANQIT-DHDCSXOGSA-N 0 2 372.427 3.702 40 10 FHCBLN CC[C@H](C)Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O ZINC000408602479 570580048 /nfs/dbraw/zinc/58/00/48/570580048.db2.gz ONISJSOGHVLVEN-DLRWLJPMSA-N 0 2 364.401 3.530 40 10 FHCBLN CCc1ccccc1N1C(=O)NC(=O)C(=Cc2cccc(Cl)c2)C1=O ZINC000408867729 570693920 /nfs/dbraw/zinc/69/39/20/570693920.db2.gz MQVQFGNBYXOQDU-PTNGSMBKSA-N 0 2 354.793 3.569 40 10 FHCBLN O=C1/C(=C\c2cc([N+](=O)[O-])ccc2O)SC(=S)N1C1CCCCC1 ZINC000113830686 263451675 /nfs/dbraw/zinc/45/16/75/263451675.db2.gz MNNPHURYYKXPDR-NTEUORMPSA-N 0 2 364.448 3.834 40 10 FHCBLN Cc1ccc(C)c(N2C(=O)NC(=O)C(=Cc3cccc(Cl)c3)C2=O)c1 ZINC000408873362 570694221 /nfs/dbraw/zinc/69/42/21/570694221.db2.gz PUQVXYSBOKCAPG-XNTDXEJSSA-N 0 2 354.793 3.623 40 10 FHCBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cccc2ccccc12 ZINC000409214503 570741430 /nfs/dbraw/zinc/74/14/30/570741430.db2.gz XYYXKUKYDMAVGU-LDADJPATSA-N 0 2 360.344 3.645 40 10 FHCBLN CCOc1ccccc1C=C1C(=O)NC(=O)N(c2ccc(F)cc2)C1=O ZINC000059135624 571087650 /nfs/dbraw/zinc/08/76/50/571087650.db2.gz PBQCNTLKVPLNCY-RVDMUPIBSA-N 0 2 354.337 3.731 40 10 FHCBLN O=C1NC(=O)N(c2cccc(Br)c2)C(=O)C1=Cc1ccccc1 ZINC000059198287 571088156 /nfs/dbraw/zinc/08/81/56/571088156.db2.gz ZYRGSDSBMBRNPT-NTEUORMPSA-N 0 2 371.190 3.956 40 10 FHCBLN Cc1ccc(C)c(N2C(=O)NC(=O)C(=CNc3ccccc3Cl)C2=O)c1 ZINC000408532127 570514156 /nfs/dbraw/zinc/51/41/56/570514156.db2.gz LZQBGUOZJBSCJD-JLHYYAGUSA-N 0 2 369.808 3.536 40 10 FHCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3cccc(Cl)c3)C2=O)c1C ZINC000408864828 570693794 /nfs/dbraw/zinc/69/37/94/570693794.db2.gz AAROTSHUVFTWFR-XNTDXEJSSA-N 0 2 354.793 3.623 40 10 FHCBLN O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cccc(Cl)c1 ZINC000408870097 570694161 /nfs/dbraw/zinc/69/41/61/570694161.db2.gz VJWLBMCGNRVBDA-RIYZIHGNSA-N 0 2 361.184 3.660 40 10 FHCBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Cl)s1 ZINC000408897956 570696641 /nfs/dbraw/zinc/69/66/41/570696641.db2.gz JVLIXUWXLODRGM-YRNVUSSQSA-N 0 2 367.213 3.721 40 10 FHCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(C)n1C(C)C ZINC000408962920 570703725 /nfs/dbraw/zinc/70/37/25/570703725.db2.gz LCMPHBGBRSQHPS-WOJGMQOQSA-N 0 2 365.433 3.661 40 10 FHCBLN Cc1nn(C)c(C)c1N=CC1C(=O)N(c2ccc(C)c(Cl)c2)N=C1C ZINC000408758365 570563652 /nfs/dbraw/zinc/56/36/52/570563652.db2.gz YYLIBKFWQYRKNZ-OQLLNIDSSA-N 0 2 357.845 3.717 40 10 FHCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(Cl)c3)C2=O)cc1 ZINC000408987922 570708233 /nfs/dbraw/zinc/70/82/33/570708233.db2.gz PREBXDCGCDHTJF-WJDWOHSUSA-N 0 2 354.793 3.569 40 10 FHCBLN Cc1ccc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] ZINC000059135070 571087638 /nfs/dbraw/zinc/08/76/38/571087638.db2.gz VTYPGRLWLNUUKZ-RIYZIHGNSA-N 0 2 369.308 3.549 40 10 FHCBLN CC1=NN(c2ccccc2)C(=O)C1C=Nc1c(C)cc(C)cc1[N+](=O)[O-] ZINC000100542623 222246557 /nfs/dbraw/zinc/24/65/57/222246557.db2.gz ORZYKLDVQSMEJA-LFIBNONCSA-N 0 2 350.378 3.930 40 10 FHCBLN O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)C1=Cc1ccc2c(c1)OCO2 ZINC000005816403 263342946 /nfs/dbraw/zinc/34/29/46/263342946.db2.gz MVVPTPQSUOQLGM-AWNIVKPZSA-N 0 2 370.748 3.575 40 10 FHCBLN Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(Cl)cc3)C2=O)cc1C ZINC000408534785 570516484 /nfs/dbraw/zinc/51/64/84/570516484.db2.gz RESNDSJQPBIGLC-MHWRWJLKSA-N 0 2 369.808 3.536 40 10 FHCBLN Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccccc3Cl)C2=O)cc1C ZINC000408535869 570516639 /nfs/dbraw/zinc/51/66/39/570516639.db2.gz UGQYSHLNYYMGMS-GXDHUFHOSA-N 0 2 369.808 3.536 40 10 FHCBLN CC(C)(C)c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1 ZINC000004525938 570595563 /nfs/dbraw/zinc/59/55/63/570595563.db2.gz AHJUOXATJYIYBJ-GZTJUZNOSA-N 0 2 366.392 3.790 40 10 FHCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(C(C)(C)C)cc3)C2=O)cc1 ZINC000408901755 570696158 /nfs/dbraw/zinc/69/61/58/570696158.db2.gz ZUBYINXFHNBHEJ-QGOAFFKASA-N 0 2 362.429 3.959 40 10 FHCBLN COC(=O)c1ccc(N=C(C)c2c(C)[nH]n(-c3ccc(F)cc3)c2=O)cc1 ZINC000112117823 570810985 /nfs/dbraw/zinc/81/09/85/570810985.db2.gz CVFFIKKRBRRGLD-PDGQHHTCSA-N 0 2 367.380 3.721 40 10 FHCBLN Cc1cc(C)c(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)c1 ZINC000408859601 570693418 /nfs/dbraw/zinc/69/34/18/570693418.db2.gz VMVFQVVNLNHWIG-YBFXNURJSA-N 0 2 362.429 3.895 40 10 FHCBLN Cc1ccsc1C=C1C(=O)NC(=O)N(c2ccc(C)c(Cl)c2)C1=O ZINC000408981247 570707409 /nfs/dbraw/zinc/70/74/09/570707409.db2.gz AIFCQNGWYHKCBV-WQLSENKSSA-N 0 2 360.822 3.685 40 10 FHCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3cc(C)c(O)c(C)c3)C2=O)c1 ZINC000038168101 571309797 /nfs/dbraw/zinc/30/97/97/571309797.db2.gz VJGSHFUHXVEKDB-MHWRWJLKSA-N 0 2 350.374 3.824 40 10 FHCBLN Cc1ccc2nsnc2c1S(=O)(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000823985 219327198 /nfs/dbraw/zinc/32/71/98/219327198.db2.gz UYYBQTYLKZENRU-UHFFFAOYSA-N 0 2 373.381 3.819 40 10 FHCBLN CCCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 ZINC000408600815 570579049 /nfs/dbraw/zinc/57/90/49/570579049.db2.gz GIZXRNMMOSFMDA-JXAWBTAJSA-N 0 2 364.401 3.532 40 10 FHCBLN CC[C@@H](C)Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O ZINC000408602480 570579907 /nfs/dbraw/zinc/57/99/07/570579907.db2.gz ONISJSOGHVLVEN-INQVIGDZSA-N 0 2 364.401 3.530 40 10 FHCBLN CC(=C\c1ccco1)/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000408896735 570695546 /nfs/dbraw/zinc/69/55/46/570695546.db2.gz HRYKECYAMVWEHX-VMPIADEKSA-N 0 2 356.765 3.546 40 10 FHCBLN CC(C)c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1 ZINC000408908398 570697906 /nfs/dbraw/zinc/69/79/06/570697906.db2.gz CFTXWUXTGSMJPX-LICLKQGHSA-N 0 2 352.365 3.616 40 10 FHCBLN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1C=Nc1ccccc1[N+](=O)[O-] ZINC000101141526 210085034 /nfs/dbraw/zinc/08/50/34/210085034.db2.gz UUHWSZZFKJSUKX-LFIBNONCSA-N 0 2 350.378 3.930 40 10 FHCBLN CC[C@@H](C)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(C)o3)C2=O)cc1 ZINC000002215805 132304139 /nfs/dbraw/zinc/30/41/39/132304139.db2.gz LRXFIZNUIIBIHG-PBSOMRJOSA-N 0 2 352.390 3.768 40 10 FHCBLN CC(C)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc([N+](=O)[O-])o3)C2=O)cc1 ZINC000001202647 132380919 /nfs/dbraw/zinc/38/09/19/132380919.db2.gz IIGCFMZGXXGFHA-NTEUORMPSA-N 0 2 369.333 3.818 40 10 FHCBLN CC1=NN(c2ccc(C)cc2)C(=O)C1C=Nc1ccc(Br)cn1 ZINC000101350422 222272218 /nfs/dbraw/zinc/27/22/18/222272218.db2.gz MJFUSUOAJAYTEH-GDNBJRDFSA-N 0 2 371.238 3.871 40 10 FHCBLN O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/C=C/c1ccccc1 ZINC000016450867 570856749 /nfs/dbraw/zinc/85/67/49/570856749.db2.gz YRHCBLOEOXRQJT-MBXCTOFRSA-N 0 2 352.777 3.563 40 10 FHCBLN CCN(CC)c1ccc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)o1 ZINC000059135088 571087534 /nfs/dbraw/zinc/08/75/34/571087534.db2.gz MEINZVXPNCYWGJ-RVDMUPIBSA-N 0 2 371.368 3.772 40 10 FHCBLN CC1=NN(c2ccc(C)cc2C)C(=O)C1C=Nc1ccccc1[N+](=O)[O-] ZINC000101114499 210086916 /nfs/dbraw/zinc/08/69/16/210086916.db2.gz GYVYCODEZRSOIC-RVDMUPIBSA-N 0 2 350.378 3.930 40 10 FHCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Cl)s3)C2=O)cc1C ZINC000408842746 570691231 /nfs/dbraw/zinc/69/12/31/570691231.db2.gz CLECLWSGUICDKE-MDWZMJQESA-N 0 2 360.822 3.685 40 10 FHCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Cl)s3)C2=O)cc1 ZINC000408966430 570703416 /nfs/dbraw/zinc/70/34/16/570703416.db2.gz MRZKQJMKMMBSGE-UKTHLTGXSA-N 0 2 360.822 3.630 40 10 FHCBLN Cc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)s1 ZINC000409230052 570743964 /nfs/dbraw/zinc/74/39/64/570743964.db2.gz WQZKPCNYTUNWNC-XYOKQWHBSA-N 0 2 360.822 3.685 40 10 FHCBLN COc1ccc(OC)c(N=C(C)C2C(=O)N(c3ccc(F)cc3)N=C2C)c1 ZINC000112118127 570810816 /nfs/dbraw/zinc/81/08/16/570810816.db2.gz BYLOBWKJOYPWDE-UNOMPAQXSA-N 0 2 369.396 3.952 40 10 FHCBLN COc1ccc(OC)c(N=C(C)c2c(C)[nH]n(-c3ccc(F)cc3)c2=O)c1 ZINC000112118127 570810819 /nfs/dbraw/zinc/81/08/19/570810819.db2.gz BYLOBWKJOYPWDE-UNOMPAQXSA-N 0 2 369.396 3.952 40 10 FHCBLN COc1ccc(N=C(C)c2c(C)[nH]n(-c3ccc(F)cc3)c2=O)c(OC)c1 ZINC000112118154 263452120 /nfs/dbraw/zinc/45/21/20/263452120.db2.gz RQTCNKGDYSZCMS-UNOMPAQXSA-N 0 2 369.396 3.952 40 10 FHCBLN O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(Cl)s1 ZINC000408963828 570704189 /nfs/dbraw/zinc/70/41/89/570704189.db2.gz AHRBKDZDKPDXPM-YRNVUSSQSA-N 0 2 367.213 3.721 40 10 FHCBLN O=C1/C(=C/c2cccc([N+](=O)[O-])c2O)SC(=S)N1C1CCCCC1 ZINC000113830404 570825179 /nfs/dbraw/zinc/82/51/79/570825179.db2.gz FQHHCNNNZGHCGG-LCYFTJDESA-N 0 2 364.448 3.834 40 10 FHCBLN COc1cc([N+](=O)[O-])ccc1N=CC1C(=O)N(c2ccc(C)cc2)N=C1C ZINC000100296112 222240522 /nfs/dbraw/zinc/24/05/22/222240522.db2.gz CJGGNTJPTFWCCP-LFIBNONCSA-N 0 2 366.377 3.630 40 10 FHCBLN Cc1ccccc1NC1=NC(=O)C(=Cc2ccc(O)c([N+](=O)[O-])c2)S1 ZINC000210009415 222632610 /nfs/dbraw/zinc/63/26/10/222632610.db2.gz UAYXZANWNOAHLI-DHDCSXOGSA-N 0 2 355.375 3.691 40 10 FHCBLN CCOc1ccccc1C=C1C(=O)NC(=O)N(c2ccc(C)cc2)C1=O ZINC000001202999 535486031 /nfs/dbraw/zinc/48/60/31/535486031.db2.gz LVMUOGLTZIGUJL-FOWTUZBSSA-N 0 2 350.374 3.900 40 10 FHCBLN O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(F)cc1 ZINC000005893755 570637826 /nfs/dbraw/zinc/63/78/26/570637826.db2.gz XSWDAEONNWKUGY-GHXNOFRVSA-N 0 2 351.164 3.594 40 10 FHCBLN Cc1ccccc1N1C(=O)NC(=O)C(=Cc2c(O)ccc3ccccc23)C1=O ZINC000408890216 570695387 /nfs/dbraw/zinc/69/53/87/570695387.db2.gz PTLOYFGOLVKRNA-SFQUDFHCSA-N 0 2 372.380 3.520 40 10 FHCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3c(O)ccc4ccccc34)C2=O)c1 ZINC000408886966 570695398 /nfs/dbraw/zinc/69/53/98/570695398.db2.gz KNARPEXSEIFEJI-LDADJPATSA-N 0 2 372.380 3.520 40 10 FHCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3Cl)C2=O)cc1 ZINC000408991319 570708553 /nfs/dbraw/zinc/70/85/53/570708553.db2.gz ZVYCEORCTZZNSQ-PTNGSMBKSA-N 0 2 354.793 3.569 40 10 FHCBLN Cc1ccsc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2C)C1=O ZINC000409228678 570742311 /nfs/dbraw/zinc/74/23/11/570742311.db2.gz CLDSXTCCJVAHQQ-DHZHZOJOSA-N 0 2 360.822 3.685 40 10 FHCBLN COc1ccc(C)cc1S(=O)(=O)Nc1nc(-c2ccccc2)cs1 ZINC000170552780 570803138 /nfs/dbraw/zinc/80/31/38/570803138.db2.gz XAXXMNYDXKMEOE-UHFFFAOYSA-N 0 2 360.460 3.928 40 10 FHCBLN COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1C ZINC000059135068 571087423 /nfs/dbraw/zinc/08/74/23/571087423.db2.gz JLZGKCHFCGUHOQ-XNTDXEJSSA-N 0 2 354.337 3.649 40 10 FHCBLN COc1ccc(Cl)cc1C=C1C(=O)NC(=O)N(c2ccc(F)cc2)C1=O ZINC000059135446 571087561 /nfs/dbraw/zinc/08/75/61/571087561.db2.gz SCOMYBAXVUNJQO-NTEUORMPSA-N 0 2 374.755 3.994 40 10 FHCBLN O=C1NC(=O)N(c2cccc(F)c2)C(=O)C1=Cc1ccc(N2CCCC2)o1 ZINC000059138533 571087691 /nfs/dbraw/zinc/08/76/91/571087691.db2.gz AUMKBRONEXAXLN-RVDMUPIBSA-N 0 2 369.352 3.526 40 10 FHCBLN Cc1[nH]c2ccccc2c1C=C1C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000111499657 570805170 /nfs/dbraw/zinc/80/51/70/570805170.db2.gz POLVKLWDLBDGKR-WOJGMQOQSA-N 0 2 373.412 3.760 40 10 FHCBLN CCn1c(C)cc(C=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)c1C ZINC000032116820 571056764 /nfs/dbraw/zinc/05/67/64/571056764.db2.gz AFLPLDYQJDPQNN-WJDWOHSUSA-N 0 2 351.406 3.940 40 10 FHCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCCC4)o3)C2=O)c1 ZINC000059138421 571087623 /nfs/dbraw/zinc/08/76/23/571087623.db2.gz RJSWFUPCDCSGSN-FOWTUZBSSA-N 0 2 365.389 3.695 40 10 FHCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)cc3)C2=O)cc1 ZINC000041108865 132300906 /nfs/dbraw/zinc/30/09/06/132300906.db2.gz PMDKQXPOWYQEGW-ATVHPVEESA-N 0 2 350.374 3.764 40 10 FHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)c(O)c(C)c3)C2=O)cc1 ZINC000038173253 571309852 /nfs/dbraw/zinc/30/98/52/571309852.db2.gz HGPDPHKEXIBQAE-MHWRWJLKSA-N 0 2 366.373 3.524 40 10 FHCBLN O=C(NN1C(=O)/C(=C\C=C\c2ccco2)SC1=S)c1ccccc1F ZINC000005552732 219688438 /nfs/dbraw/zinc/68/84/38/219688438.db2.gz WAUVXPBUUZYLQV-HNBAAQFOSA-N 0 2 374.418 3.521 40 10 FHCBLN CC(=C\c1ccccc1)/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000408784943 570687244 /nfs/dbraw/zinc/68/72/44/570687244.db2.gz WYTQTXPBHCODKW-QKIOLIMFSA-N 0 2 366.804 3.953 40 10 FHCBLN CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(O)c([N+](=O)[O-])c1 ZINC000016160898 220180259 /nfs/dbraw/zinc/18/02/59/220180259.db2.gz PCMZRUQXAKLMBP-AUWJEWJLSA-N 0 2 357.753 3.760 40 10 FHCBLN Cc1cc(C)c(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)c1 ZINC000408775040 570685850 /nfs/dbraw/zinc/68/58/50/570685850.db2.gz FIHGDWWQIQTIFF-LICLKQGHSA-N 0 2 368.820 3.932 40 10 FHCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(Cl)s3)C2=O)c1C ZINC000408965996 570704616 /nfs/dbraw/zinc/70/46/16/570704616.db2.gz KUGGLJQUAYECAX-XYOKQWHBSA-N 0 2 360.822 3.685 40 10 FHCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3c(F)cccc3Cl)C2=O)cc1 ZINC000408983596 570707264 /nfs/dbraw/zinc/70/72/64/570707264.db2.gz GSWGXFVOVCERHQ-UVTDQMKNSA-N 0 2 372.783 3.708 40 10 FHCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(C)c1O ZINC000038167697 571309841 /nfs/dbraw/zinc/30/98/41/571309841.db2.gz DAAPAECJTQQBRE-OVCLIPMQSA-N 0 2 354.337 3.655 40 10 FHCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000001203088 132381143 /nfs/dbraw/zinc/38/11/43/132381143.db2.gz OWXZFQPZSLKYRO-XNTDXEJSSA-N 0 2 374.318 3.680 40 10 FHCBLN CCOC(=O)c1ccc(N=N[C@H]2C(=O)N(c3ccccc3)N=C2C)cc1 ZINC000104090990 222349595 /nfs/dbraw/zinc/34/95/95/222349595.db2.gz JBMWOJWZSMCBJJ-QBEKEKFNSA-N 0 2 350.378 3.738 40 10 FHCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3c(F)cccc3Cl)C2=O)cc1C ZINC000408853529 570693013 /nfs/dbraw/zinc/69/30/13/570693013.db2.gz PDQFBKHECIIDRB-NTEUORMPSA-N 0 2 372.783 3.762 40 10 FHCBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(Cl)s3)C2=O)c1 ZINC000408893430 570695932 /nfs/dbraw/zinc/69/59/32/570695932.db2.gz AMJIVRKMWGPJSR-MDWZMJQESA-N 0 2 360.822 3.685 40 10 FHCBLN