smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(c2cccc(Cl)c2)CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000619458300 1125595464 /nfs/dbraw/zinc/59/54/64/1125595464.db2.gz FCHVJSDAWSCSCK-UHFFFAOYSA-N -1 1 354.837 4.111 20 30 FIEDMM CCc1ccc(S(=O)(=O)[N-]c2ccccc2S[C@@H](C)CC#N)cc1 ZINC000066814340 1082402438 /nfs/dbraw/zinc/40/24/38/1082402438.db2.gz XJFLIDPMOMMZOF-AWEZNQCLSA-N -1 1 360.504 4.444 20 30 FIEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccnn2-c2ccccc2)s1 ZINC000430591976 1082534780 /nfs/dbraw/zinc/53/47/80/1082534780.db2.gz GSDVQIQLBYWGNQ-AWEZNQCLSA-N -1 1 350.447 4.116 20 30 FIEDMM CCN(C)C(=O)c1cccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000430629589 1082766261 /nfs/dbraw/zinc/76/62/61/1082766261.db2.gz OWVMARHMKRBJPI-HNNXBMFYSA-N -1 1 369.490 4.023 20 30 FIEDMM COCCCOc1cccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000430631022 1082768846 /nfs/dbraw/zinc/76/88/46/1082768846.db2.gz STQWQCWZRGMNEG-MRXNPFEDSA-N -1 1 372.490 4.346 20 30 FIEDMM N#C[C@@H]([N-]C(=O)C(F)(F)c1cccc(Br)c1)C1CCCCC1 ZINC001266809224 1082843901 /nfs/dbraw/zinc/84/39/01/1082843901.db2.gz LFQLJXYYRBEZSL-CQSZACIVSA-N -1 1 371.225 4.130 20 30 FIEDMM O=C(/C=C\c1ccc([O-])c(F)c1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000255772909 1083515908 /nfs/dbraw/zinc/51/59/08/1083515908.db2.gz NSDBKKBSDGNDLH-WZUFQYTHSA-N -1 1 374.433 4.144 20 30 FIEDMM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000091990241 1083688793 /nfs/dbraw/zinc/68/87/93/1083688793.db2.gz BKRYGAULXDDTAE-SFTDATJTSA-N -1 1 356.425 4.457 20 30 FIEDMM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000091990240 1083689163 /nfs/dbraw/zinc/68/91/63/1083689163.db2.gz BKRYGAULXDDTAE-RTWAWAEBSA-N -1 1 356.425 4.457 20 30 FIEDMM Cc1csc(C(C#N)=C([O-])c2ccc(Cl)c(Br)c2)n1 ZINC000511866582 1085211431 /nfs/dbraw/zinc/21/14/31/1085211431.db2.gz CWRVLGZUILJLRS-VIFPVBQESA-N -1 1 355.644 4.358 20 30 FIEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C(C)(C)CC)cc2)n1 ZINC000511883315 1085299811 /nfs/dbraw/zinc/29/98/11/1085299811.db2.gz DICHOVWASYWUQI-HNNXBMFYSA-N -1 1 370.474 4.497 20 30 FIEDMM O=C(Nc1cccc(C#Cc2cccs2)c1)c1c(F)ccc([O-])c1F ZINC000685418006 1087563638 /nfs/dbraw/zinc/56/36/38/1087563638.db2.gz ZHMVQYAYXCCXEK-UHFFFAOYSA-N -1 1 355.365 4.384 20 30 FIEDMM Cc1csc(C(C#N)=C([O-])c2cccc(N(C)C(=O)OC(C)(C)C)c2)n1 ZINC000892418260 1087688327 /nfs/dbraw/zinc/68/83/27/1087688327.db2.gz QNDNVXYIBNFKLZ-OAHLLOKOSA-N -1 1 371.462 4.313 20 30 FIEDMM N#CC(=C([O-])c1cccc(OC[C@@H]2CCCO2)c1)c1nc(C2CC2)cs1 ZINC000647376815 1087798304 /nfs/dbraw/zinc/79/83/04/1087798304.db2.gz ZVWIODPIFNTRNC-DLBZAZTESA-N -1 1 368.458 4.068 20 30 FIEDMM CCSc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000505316534 1088349367 /nfs/dbraw/zinc/34/93/67/1088349367.db2.gz KCQPZXAOZBZIOD-UHFFFAOYSA-N -1 1 352.868 4.124 20 30 FIEDMM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1cnc(C(C)C)s1 ZINC000122429628 1089392809 /nfs/dbraw/zinc/39/28/09/1089392809.db2.gz WAJODJXZYMXWTQ-HNNXBMFYSA-N -1 1 369.490 4.352 20 30 FIEDMM Cc1cccc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000046707111 1090017760 /nfs/dbraw/zinc/01/77/60/1090017760.db2.gz PFVOIUUYGVDCFX-AWEZNQCLSA-N -1 1 363.442 4.074 20 30 FIEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)C(c1ccccc1)c1ccccc1 ZINC000442867462 1092815439 /nfs/dbraw/zinc/81/54/39/1092815439.db2.gz LQTWJIDKAFZNLI-INIZCTEOSA-N -1 1 356.425 4.214 20 30 FIEDMM N#Cc1ccc(C(=O)N(Cc2ccccc2)Cc2ccc(F)cc2)cc1[O-] ZINC000442938485 1092875457 /nfs/dbraw/zinc/87/54/57/1092875457.db2.gz AFSPYJKSBBULND-UHFFFAOYSA-N -1 1 360.388 4.246 20 30 FIEDMM CCCNc1ccc(C#N)cc1NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000443294319 1093039391 /nfs/dbraw/zinc/03/93/91/1093039391.db2.gz ZEZIJBFPKQNLEZ-UHFFFAOYSA-N -1 1 359.813 4.000 20 30 FIEDMM O=C(CCSc1ccccc1Cl)Nc1n[n-]c(C(F)(F)F)n1 ZINC000072673353 1093582741 /nfs/dbraw/zinc/58/27/41/1093582741.db2.gz QNDVYUZDYNJBKF-UHFFFAOYSA-N -1 1 350.753 4.247 20 30 FIEDMM CCOc1cc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)ccc1C ZINC000114619067 1093659779 /nfs/dbraw/zinc/65/97/79/1093659779.db2.gz UEQMHDSGEKPKAG-INIZCTEOSA-N -1 1 363.442 4.402 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)NCCSCc2cccc3ccccc32)c1 ZINC000614365573 1093766791 /nfs/dbraw/zinc/76/67/91/1093766791.db2.gz YTJMUSHREQQBQG-UHFFFAOYSA-N -1 1 362.454 4.080 20 30 FIEDMM CC(C)[C@H](C#N)c1ccc(NC2([P@](=O)([O-])O)Cc3ccccc3C2)cc1 ZINC001167937280 1093949154 /nfs/dbraw/zinc/94/91/54/1093949154.db2.gz BHZJAERRRQBITP-IBGZPJMESA-N -1 1 370.389 4.034 20 30 FIEDMM COCCOc1cccc(F)c1C(=O)/C=C\c1ccc([O-])c(Cl)c1 ZINC000729240162 1093949856 /nfs/dbraw/zinc/94/98/56/1093949856.db2.gz DQURRWLEVBHLBR-VURMDHGXSA-N -1 1 350.773 4.106 20 30 FIEDMM Cc1sc([N-]C(=O)c2cc(-c3ccc4c(c3)CCO4)no2)c(C#N)c1C ZINC000433715543 1094059638 /nfs/dbraw/zinc/05/96/38/1094059638.db2.gz SXKFORKSIKZTJN-UHFFFAOYSA-N -1 1 365.414 4.079 20 30 FIEDMM C=CCc1cccc(C(C)C)c1NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436992875 1099496663 /nfs/dbraw/zinc/49/66/63/1099496663.db2.gz XFGCDWPZXYLRMK-UHFFFAOYSA-N -1 1 352.434 4.455 20 30 FIEDMM Cc1ccc(OC[C@@H](C)O/C(=N\[O-])c2ccccc2Br)cc1 ZINC001223885728 1099708516 /nfs/dbraw/zinc/70/85/16/1099708516.db2.gz IJCWOBVJLIDIGB-JPWUFHEYSA-N -1 1 364.239 4.377 20 30 FIEDMM Cc1cc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(C)n1C ZINC000516714147 1099750076 /nfs/dbraw/zinc/75/00/76/1099750076.db2.gz QYGXOSXKOQCVBI-QGZVFWFLSA-N -1 1 360.442 4.127 20 30 FIEDMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(C#N)c(C(F)(F)F)c1 ZINC000438761573 1100901593 /nfs/dbraw/zinc/90/15/93/1100901593.db2.gz BMLVJXALVSWJPF-UHFFFAOYSA-N -1 1 374.771 4.340 20 30 FIEDMM N#Cc1cccc(Oc2ccc([N-]S(=O)(=O)c3ccsc3)cc2)c1 ZINC000506639813 1101653500 /nfs/dbraw/zinc/65/35/00/1101653500.db2.gz ORCZZVMDIIHSBV-UHFFFAOYSA-N -1 1 356.428 4.213 20 30 FIEDMM Cc1noc(C(F)F)c1C(=O)[N-]c1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000610432166 1102022897 /nfs/dbraw/zinc/02/28/97/1102022897.db2.gz OZIPTXQBYIMNQG-SSDOTTSWSA-N -1 1 351.378 4.231 20 30 FIEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(CCC(F)(F)F)cc1 ZINC000440291757 1102175499 /nfs/dbraw/zinc/17/54/99/1102175499.db2.gz FOWRABWJGMWEFM-UHFFFAOYSA-N -1 1 368.380 4.162 20 30 FIEDMM N#Cc1ccsc1C(=O)[N-]c1nnc(SCc2cccs2)s1 ZINC000052148180 1102243531 /nfs/dbraw/zinc/24/35/31/1102243531.db2.gz RJRYHGYVPUTLPL-UHFFFAOYSA-N -1 1 364.502 4.077 20 30 FIEDMM C[C@@H]1[C@H](C(=O)[N-][C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)C1(F)F ZINC000461088334 1104070547 /nfs/dbraw/zinc/07/05/47/1104070547.db2.gz UJUXLADBRJWNCK-DRTBCBBWSA-N -1 1 361.232 4.326 20 30 FIEDMM C[C@@H]1[C@H](C(=O)[N-][C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)C1(F)F ZINC000461083531 1104084192 /nfs/dbraw/zinc/08/41/92/1104084192.db2.gz DZEJPHYXPLQSBZ-DRTBCBBWSA-N -1 1 361.232 4.326 20 30 FIEDMM C=CCOc1ccc(/C=C/c2nc(-c3ccc([O-])c(F)c3)no2)cc1OC ZINC000445484898 1108803890 /nfs/dbraw/zinc/80/38/90/1108803890.db2.gz YNZZECFMLLDKHQ-WEVVVXLNSA-N -1 1 368.364 4.325 20 30 FIEDMM C=CCOc1ccc(/C=C\c2nc(-c3ccc([O-])c(F)c3)no2)cc1OC ZINC000445484894 1108804382 /nfs/dbraw/zinc/80/43/82/1108804382.db2.gz YNZZECFMLLDKHQ-UITAMQMPSA-N -1 1 368.364 4.325 20 30 FIEDMM N#CC(=C([O-])c1cccnc1OCC(F)(F)F)c1nccc2ccccc21 ZINC000483236079 1113468937 /nfs/dbraw/zinc/46/89/37/1113468937.db2.gz MSFXVTUBCAUZDC-HNNXBMFYSA-N -1 1 371.318 4.061 20 30 FIEDMM N#CC(=C([O-])c1c[nH]nc1-c1c(F)cccc1F)c1nccc2ccccc21 ZINC000483236576 1113468975 /nfs/dbraw/zinc/46/89/75/1113468975.db2.gz UZKGMIDMKGXVGW-AWEZNQCLSA-N -1 1 374.350 4.393 20 30 FIEDMM O=C([N-]c1cc(F)c(OC(F)F)cc1F)c1c(F)c(F)cc(F)c1F ZINC000490280626 1114261920 /nfs/dbraw/zinc/26/19/20/1114261920.db2.gz AOZZOILQQUYMPB-UHFFFAOYSA-N -1 1 371.183 4.375 20 30 FIEDMM CC(C)N(C)c1ccccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593279715 1115316371 /nfs/dbraw/zinc/31/63/71/1115316371.db2.gz JQNACUULGOLPOW-UHFFFAOYSA-N -1 1 371.506 4.133 20 30 FIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1Cl ZINC000059768425 1115558148 /nfs/dbraw/zinc/55/81/48/1115558148.db2.gz FSSAZIVKPVIDPJ-UHFFFAOYSA-N -1 1 360.744 4.031 20 30 FIEDMM N#CCc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000029967006 1118957566 /nfs/dbraw/zinc/95/75/66/1118957566.db2.gz FGCGVBKEWLYDBA-UHFFFAOYSA-N -1 1 374.771 4.226 20 30 FIEDMM CSCc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)ccc1F ZINC000177588311 1119338205 /nfs/dbraw/zinc/33/82/05/1119338205.db2.gz PYQWKWXHNBIUMZ-AWEZNQCLSA-N -1 1 353.422 4.065 20 30 FIEDMM COc1cccc(-c2nc(/C=C3\Oc4cc([O-])cc(C)c4C3=O)cs2)c1 ZINC000915988736 1121367777 /nfs/dbraw/zinc/36/77/77/1121367777.db2.gz FGVSSZZJGRLNEQ-IUXPMGMMSA-N -1 1 365.410 4.449 20 30 FIEDMM S=c1[n-]nc(SCc2ccccc2)n1N=Cc1ccccc1Cl ZINC000916368796 1121482503 /nfs/dbraw/zinc/48/25/03/1121482503.db2.gz OATYQTVEPNYLBH-UHFFFAOYSA-N -1 1 360.895 4.395 20 30 FIEDMM CCC(N=Nc1ccc(Cl)c(C(=O)[O-])c1)c1ccc(OC)c(OC)c1 ZINC000916581861 1121555972 /nfs/dbraw/zinc/55/59/72/1121555972.db2.gz ZDGGQSSRFLULGM-UHFFFAOYSA-N -1 1 362.813 4.282 20 30 FIEDMM CCC(=NNc1cccc([N+](=O)[O-])c1)c1cc(Br)ccc1[O-] ZINC000916581223 1121556035 /nfs/dbraw/zinc/55/60/35/1121556035.db2.gz UFNXJRZGVGDICZ-UHFFFAOYSA-N -1 1 364.199 4.289 20 30 FIEDMM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1ccc(C(C)=O)s1 ZINC000916903707 1121915325 /nfs/dbraw/zinc/91/53/25/1121915325.db2.gz QVORSRRFOPLSKW-HNNXBMFYSA-N -1 1 368.458 4.037 20 30 FIEDMM C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000066814325 1122099295 /nfs/dbraw/zinc/09/92/95/1122099295.db2.gz CBYHZYDLJYZZEZ-CQSZACIVSA-N -1 1 372.515 4.370 20 30 FIEDMM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000920101916 1123350187 /nfs/dbraw/zinc/35/01/87/1123350187.db2.gz MZOHHRLNWUVATL-INIZCTEOSA-N -1 1 368.396 4.072 20 30 FIEDMM N#CC(=C([O-])c1ccc2oc(=O)[nH]c2c1)c1nc(-c2ccccc2)cs1 ZINC000672581921 1125188774 /nfs/dbraw/zinc/18/87/74/1125188774.db2.gz VUZJFKKEOUSCNG-ZDUSSCGKSA-N -1 1 361.382 4.147 20 30 FIEDMM Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(O)cc1[O-] ZINC000436708607 568398539 /nfs/dbraw/zinc/39/85/39/568398539.db2.gz SHMKHCXVSZKPJN-UHFFFAOYSA-N -1 1 360.369 4.323 20 30 FIEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)c1 ZINC000619463296 1125596169 /nfs/dbraw/zinc/59/61/69/1125596169.db2.gz FJQKIBLOYODVMC-UHFFFAOYSA-N -1 1 368.380 4.048 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000619619718 1125642009 /nfs/dbraw/zinc/64/20/09/1125642009.db2.gz QKXYPSKALBDOAH-MQMHXKEQSA-N -1 1 361.228 4.247 20 30 FIEDMM N#Cc1ccccc1OCc1cccc(C(=O)Nc2c([O-])cccc2F)c1 ZINC000610339775 1081493650 /nfs/dbraw/zinc/49/36/50/1081493650.db2.gz OFWIDQQGKBRBPU-UHFFFAOYSA-N -1 1 362.360 4.234 20 30 FIEDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)C1(c2ccc(F)cc2F)CCCC1 ZINC000090028540 1082601146 /nfs/dbraw/zinc/60/11/46/1082601146.db2.gz WBEMEQGKLTUQJB-UHFFFAOYSA-N -1 1 360.286 4.202 20 30 FIEDMM CSc1nc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c2ccccn12 ZINC000430611588 1082664424 /nfs/dbraw/zinc/66/44/24/1082664424.db2.gz ORFGISCILQHNKN-LLVKDONJSA-N -1 1 370.503 4.300 20 30 FIEDMM C=CC[C@H]1CCCN([C@@H](C(=O)[O-])c2ccc(Br)cc2F)C1 ZINC000656759438 1082752029 /nfs/dbraw/zinc/75/20/29/1082752029.db2.gz GEUAZEKMVFXYOH-XHDPSFHLSA-N -1 1 356.235 4.002 20 30 FIEDMM COc1ccc([O-])c(C(=O)/C=C\c2cc3cnn(C(C)C)c3nc2Cl)c1 ZINC000255758448 1083485650 /nfs/dbraw/zinc/48/56/50/1083485650.db2.gz ZLQCFTTWAYHMIK-XQRVVYSFSA-N -1 1 371.824 4.276 20 30 FIEDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c2ccccc12 ZINC000511195232 1085704606 /nfs/dbraw/zinc/70/46/06/1085704606.db2.gz ZUTXXHBOJBDTQN-UHFFFAOYSA-N -1 1 366.442 4.105 20 30 FIEDMM C[C@@]([N-]C(=O)c1c(F)c(F)cc(F)c1F)(c1ccccc1)C(F)(F)F ZINC000504583463 1087737135 /nfs/dbraw/zinc/73/71/35/1087737135.db2.gz AFNAXLUWPNTYDU-OAHLLOKOSA-N -1 1 365.248 4.451 20 30 FIEDMM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1cnc(C(C)C)s1 ZINC000122429887 1089391423 /nfs/dbraw/zinc/39/14/23/1089391423.db2.gz WAJODJXZYMXWTQ-OAHLLOKOSA-N -1 1 369.490 4.352 20 30 FIEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2cccc(C(F)F)c2)c1 ZINC000780387157 1089431043 /nfs/dbraw/zinc/43/10/43/1089431043.db2.gz IVWCNBRYFMDYLY-UHFFFAOYSA-N -1 1 353.390 4.380 20 30 FIEDMM CC(=Cc1ccc(-c2cccc(F)c2F)o1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435337056 1089544475 /nfs/dbraw/zinc/54/44/75/1089544475.db2.gz SXOAWJYYURBMTQ-NTMALXAHSA-N -1 1 353.328 4.049 20 30 FIEDMM CCOc1cc(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)cc(Cl)c1[O-] ZINC000416343589 1090337104 /nfs/dbraw/zinc/33/71/04/1090337104.db2.gz SMWSYYNVFJAILZ-KRWDZBQOSA-N -1 1 370.836 4.123 20 30 FIEDMM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000511686730 1091541278 /nfs/dbraw/zinc/54/12/78/1091541278.db2.gz JMGGLHLNEAZYGP-LBPRGKRZSA-N -1 1 364.854 4.190 20 30 FIEDMM CC(C)(c1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1)C(F)(F)F ZINC000432066978 1091586204 /nfs/dbraw/zinc/58/62/04/1091586204.db2.gz MWQDNMWUJORQKM-UHFFFAOYSA-N -1 1 368.380 4.199 20 30 FIEDMM CC(C)(CCC#N)CN=c1[n-]c(C(F)(F)F)c(Br)s1 ZINC000418964327 1092362908 /nfs/dbraw/zinc/36/29/08/1092362908.db2.gz IYWZNERYPNSRNG-UHFFFAOYSA-N -1 1 356.211 4.088 20 30 FIEDMM N#Cc1ccc(C(=O)N2CC=C(c3cccc4ccccc43)CC2)cc1[O-] ZINC000442950532 1092871771 /nfs/dbraw/zinc/87/17/71/1092871771.db2.gz LPUUSHGXVAWVBW-UHFFFAOYSA-N -1 1 354.409 4.347 20 30 FIEDMM Cc1cccn2cc(-c3ccc(NC(=O)c4cc([O-])cc(C#N)c4)cc3)nc12 ZINC000614296557 1093352695 /nfs/dbraw/zinc/35/26/95/1093352695.db2.gz HMFQOGWGQWDLLL-UHFFFAOYSA-N -1 1 368.396 4.139 20 30 FIEDMM CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614358695 1093755707 /nfs/dbraw/zinc/75/57/07/1093755707.db2.gz OHYGIUGLQHVWRU-UHFFFAOYSA-N -1 1 364.323 4.324 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c1 ZINC000614357784 1093759463 /nfs/dbraw/zinc/75/94/63/1093759463.db2.gz GUQBSZDDJPBHNL-UHFFFAOYSA-N -1 1 354.369 4.059 20 30 FIEDMM N#CC(=C([O-])c1cc2cc([N+](=O)[O-])ccc2s1)c1nc2ccccc2[nH]1 ZINC000041496710 1094619696 /nfs/dbraw/zinc/61/96/96/1094619696.db2.gz MSSUXFGXAVUHKJ-GFCCVEGCSA-N -1 1 362.370 4.176 20 30 FIEDMM N#Cc1cc(-c2nc(-c3ccc([O-])cc3Cl)no2)cnc1C(F)(F)F ZINC000436522656 1099079156 /nfs/dbraw/zinc/07/91/56/1099079156.db2.gz WEZOHJRHZJLFDE-UHFFFAOYSA-N -1 1 366.686 4.048 20 30 FIEDMM CCNc1ccc(C#N)cc1NC(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000436754571 1099289723 /nfs/dbraw/zinc/28/97/23/1099289723.db2.gz ZPHVIGYUNLEXDD-UHFFFAOYSA-N -1 1 359.813 4.000 20 30 FIEDMM C=CCOc1cc(OC)ccc1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000436870190 1099380778 /nfs/dbraw/zinc/38/07/78/1099380778.db2.gz GQLKDVNTQBSASV-UHFFFAOYSA-N -1 1 358.781 4.336 20 30 FIEDMM C=C(C)C[C@H](C)c1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000436879767 1099396044 /nfs/dbraw/zinc/39/60/44/1099396044.db2.gz OFOJEBDRLQQMIS-VIFPVBQESA-N -1 1 353.216 4.283 20 30 FIEDMM C=C[C@@](C)(CC)c1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000436880459 1099397924 /nfs/dbraw/zinc/39/79/24/1099397924.db2.gz RCBZVGPPAGJIKD-HNNXBMFYSA-N -1 1 353.216 4.067 20 30 FIEDMM COc1cc(/C=C/C(=O)c2cc(C)ccc2[O-])cc(Br)c1O ZINC000757468923 1099716304 /nfs/dbraw/zinc/71/63/04/1099716304.db2.gz VTQZEYBBUQQIRW-GQCTYLIASA-N -1 1 363.207 4.073 20 30 FIEDMM COc1cc(/C=C\C(=O)c2cc(C)ccc2[O-])cc(Br)c1O ZINC000757468927 1099718090 /nfs/dbraw/zinc/71/80/90/1099718090.db2.gz VTQZEYBBUQQIRW-XQRVVYSFSA-N -1 1 363.207 4.073 20 30 FIEDMM N#CCCSc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000517436358 1100373033 /nfs/dbraw/zinc/37/30/33/1100373033.db2.gz HLEZEBHKGQEACO-UHFFFAOYSA-N -1 1 372.515 4.372 20 30 FIEDMM CCC(C)(C)OCc1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1C ZINC000425971455 1100565405 /nfs/dbraw/zinc/56/54/05/1100565405.db2.gz PJPKJNLIPYAMMZ-UHFFFAOYSA-N -1 1 372.490 4.373 20 30 FIEDMM CC(C)(C)c1nc2ccc(S(=O)(=O)[N-]c3cccc(C#N)c3)cc2s1 ZINC000438803843 1100921150 /nfs/dbraw/zinc/92/11/50/1100921150.db2.gz HEKCQRTVODXLRE-UHFFFAOYSA-N -1 1 371.487 4.266 20 30 FIEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(COC2CCCC2)cc1 ZINC000475803604 1101902967 /nfs/dbraw/zinc/90/29/67/1101902967.db2.gz KZPUYZOZIRBWKT-UHFFFAOYSA-N -1 1 370.474 4.013 20 30 FIEDMM CC(C)(C)[C@@H]1C[C@@H](NC(=O)c2cc(Br)ccc2[O-])CCO1 ZINC000331226747 1104706380 /nfs/dbraw/zinc/70/63/80/1104706380.db2.gz CZHRLUHRSZFNAG-FZMZJTMJSA-N -1 1 356.260 4.053 20 30 FIEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)C(C)C)cc1 ZINC000451047882 1106908350 /nfs/dbraw/zinc/90/83/50/1106908350.db2.gz UWJWQQGFGCYERM-UHFFFAOYSA-N -1 1 372.490 4.201 20 30 FIEDMM N#CC(=C([O-])c1ccnn1C1CCCC1)c1nc(-c2ccncc2)cs1 ZINC000531976522 1108490047 /nfs/dbraw/zinc/49/00/47/1108490047.db2.gz VYAFNCZOVNHQSR-OAHLLOKOSA-N -1 1 363.446 4.007 20 30 FIEDMM CCOc1cc(-c2noc(-c3cccc(CC#N)c3)n2)cc(Cl)c1[O-] ZINC000445414371 1108744354 /nfs/dbraw/zinc/74/43/54/1108744354.db2.gz WWJQVLJBLIKCJF-UHFFFAOYSA-N -1 1 355.781 4.227 20 30 FIEDMM N#Cc1ccc(Oc2ccc(-c3nc(-c4ccc([O-])c(F)c4)no3)cc2)nc1 ZINC000445480013 1108801265 /nfs/dbraw/zinc/80/12/65/1108801265.db2.gz XVVVSOMXLUCQRE-UHFFFAOYSA-N -1 1 374.331 4.307 20 30 FIEDMM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)ccc1OC(C)C ZINC000525535782 1109415373 /nfs/dbraw/zinc/41/53/73/1109415373.db2.gz QEIXNXCJGYYFNE-UHFFFAOYSA-N -1 1 364.854 4.108 20 30 FIEDMM CC[C@@H](C)n1ncc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)c1C ZINC000482571551 1113300562 /nfs/dbraw/zinc/30/05/62/1113300562.db2.gz CCFFBZRTUHPISK-DGCLKSJQSA-N -1 1 371.391 4.397 20 30 FIEDMM Cc1c(=O)[n-]c(SCc2cc(F)ccc2C#N)nc1-c1ccccc1 ZINC000163913968 1114411455 /nfs/dbraw/zinc/41/14/55/1114411455.db2.gz YIANOICURCCZOP-UHFFFAOYSA-N -1 1 351.406 4.048 20 30 FIEDMM O=S(=O)([N-]c1cc(F)c(F)cc1F)c1cc(C(F)(F)F)ccc1F ZINC000591683806 1115122329 /nfs/dbraw/zinc/12/23/29/1115122329.db2.gz UJFYFQNMNBNMPS-UHFFFAOYSA-N -1 1 373.249 4.063 20 30 FIEDMM C=CCOc1ccc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)cc1 ZINC000592973349 1115272272 /nfs/dbraw/zinc/27/22/72/1115272272.db2.gz DMOCLYBGYUAHTM-HNNXBMFYSA-N -1 1 352.390 4.490 20 30 FIEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(COC2CCCC2)cc1 ZINC000574202512 1115294436 /nfs/dbraw/zinc/29/44/36/1115294436.db2.gz IIXHPPLQGUKDMN-UHFFFAOYSA-N -1 1 370.474 4.127 20 30 FIEDMM C[C@@H]1Cc2c(C#N)c([N-]C(=O)c3ncoc3-c3ccon3)sc2[C@@H](C)C1 ZINC000598839472 1115759937 /nfs/dbraw/zinc/75/99/37/1115759937.db2.gz SMSZSRSSHGPBSE-UWVGGRQHSA-N -1 1 368.418 4.201 20 30 FIEDMM N#Cc1cccc(S(=O)(=O)[N-]c2cccc(COC3CCCCC3)c2)c1 ZINC000604465577 1115867097 /nfs/dbraw/zinc/86/70/97/1115867097.db2.gz ZPVJIBRIRLUADJ-UHFFFAOYSA-N -1 1 370.474 4.208 20 30 FIEDMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccc4c(c3)ncn4C)n2)cc1 ZINC000539680504 1116365520 /nfs/dbraw/zinc/36/55/20/1116365520.db2.gz TVGMSBKBXIKBFN-MRXNPFEDSA-N -1 1 372.453 4.495 20 30 FIEDMM Cc1ccc(CCN(Cc2ccco2)C(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000443271827 1117843454 /nfs/dbraw/zinc/84/34/54/1117843454.db2.gz JKLHEMFVWJZRHW-UHFFFAOYSA-N -1 1 360.413 4.050 20 30 FIEDMM CC(C)c1cccc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)c1 ZINC000172886980 1118987650 /nfs/dbraw/zinc/98/76/50/1118987650.db2.gz GNIMDNVAXYXXDY-UHFFFAOYSA-N -1 1 358.463 4.293 20 30 FIEDMM C=C(C)C[C@@H](C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000184230391 1119599331 /nfs/dbraw/zinc/59/93/31/1119599331.db2.gz GRSDIAGBOMRIOH-OAHLLOKOSA-N -1 1 358.463 4.028 20 30 FIEDMM CC(C)c1ccccc1S(=O)(=O)[N-]c1cccc(OCCCC#N)c1 ZINC000188953437 1119808067 /nfs/dbraw/zinc/80/80/67/1119808067.db2.gz GIYQZSSOYQCYKJ-UHFFFAOYSA-N -1 1 358.463 4.293 20 30 FIEDMM N#Cc1ccc([N-]S(=O)(=O)c2csc3ccc(Cl)cc32)c(F)c1 ZINC000494477414 1119875974 /nfs/dbraw/zinc/87/59/74/1119875974.db2.gz WSEIIIASJRPSGJ-UHFFFAOYSA-N -1 1 366.826 4.366 20 30 FIEDMM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2CC#N)c2ccccc12 ZINC000193362015 1120133620 /nfs/dbraw/zinc/13/36/20/1120133620.db2.gz IXXGUBPKZYVHMS-UHFFFAOYSA-N -1 1 366.442 4.105 20 30 FIEDMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccc4[nH]cnc4c3)n2)cc1 ZINC000915102106 1120811737 /nfs/dbraw/zinc/81/17/37/1120811737.db2.gz RQASGSUNSPBQEF-OAHLLOKOSA-N -1 1 358.426 4.485 20 30 FIEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)c2ccccc2n3C)c1 ZINC000916730042 1121824065 /nfs/dbraw/zinc/82/40/65/1121824065.db2.gz VVACHYZJALKCBG-UHFFFAOYSA-N -1 1 360.438 4.114 20 30 FIEDMM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C(C)=O)s2)cc1 ZINC000916956373 1121968550 /nfs/dbraw/zinc/96/85/50/1121968550.db2.gz ZUZKTFONRZXNIT-LRDDRELGSA-N -1 1 368.458 4.425 20 30 FIEDMM C[C@H](CC#N)Sc1ccccc1[N-]C(=O)c1cc(-c2ccccn2)no1 ZINC000073496703 1121998905 /nfs/dbraw/zinc/99/89/05/1121998905.db2.gz JVALILPOGKCMRC-CYBMUJFWSA-N -1 1 364.430 4.383 20 30 FIEDMM N#CC(=C([O-])C1=Cc2ccccc2OC1)c1nc2ccccc2n1C(F)F ZINC000917039859 1122011879 /nfs/dbraw/zinc/01/18/79/1122011879.db2.gz FXBGGIVKHHRVGT-CQSZACIVSA-N -1 1 365.339 4.084 20 30 FIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3cccc(C#N)c3)n2)cc1 ZINC000066543842 1122072057 /nfs/dbraw/zinc/07/20/57/1122072057.db2.gz SFOKWSDMUJVZDL-KRWDZBQOSA-N -1 1 359.410 4.180 20 30 FIEDMM COCc1cccc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000066544729 1122072576 /nfs/dbraw/zinc/07/25/76/1122072576.db2.gz RTOJSIAJMHPIOW-GOSISDBHSA-N -1 1 373.437 4.318 20 30 FIEDMM CC(C)[C@@H](SCc1ccccc1)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000066629120 1122080270 /nfs/dbraw/zinc/08/02/70/1122080270.db2.gz ANRLFGHDMNEOQF-LLVKDONJSA-N -1 1 358.389 4.370 20 30 FIEDMM N#CC(=C([O-])c1cccc(OC(F)F)c1)c1nc(-c2ccncc2)cs1 ZINC000128817207 1122421098 /nfs/dbraw/zinc/42/10/98/1122421098.db2.gz UUAFOKAJPIDCII-AWEZNQCLSA-N -1 1 371.368 4.297 20 30 FIEDMM Cc1nc(-c2ccccc2)oc1C([O-])=C(C#N)c1nc2cccc(C)c2[nH]1 ZINC000498027028 1122524758 /nfs/dbraw/zinc/52/47/58/1122524758.db2.gz OHNZMKMFENNZPL-HNNXBMFYSA-N -1 1 356.385 4.325 20 30 FIEDMM O=[N+]([O-])c1ccc([O-])c(/C=N\C[C@H](c2ccccc2Cl)N2CCCC2)c1 ZINC000920944370 1123540515 /nfs/dbraw/zinc/54/05/15/1123540515.db2.gz CUVKVUGLWOALJO-UZQMFHLOSA-N -1 1 373.840 4.210 20 30 FIEDMM CCOC(=O)c1[nH]c2c(c1C)C(=O)/C(=C/c1ccc([O-])c(Cl)c1)CC2 ZINC000921265413 1123607319 /nfs/dbraw/zinc/60/73/19/1123607319.db2.gz FALFBXUCLAAMMT-XYOKQWHBSA-N -1 1 359.809 4.071 20 30 FIEDMM CCOC(=O)c1[nH]c2c(c1C)C(=O)/C(=C\c1ccc([O-])c(Cl)c1)CC2 ZINC000921265412 1123607586 /nfs/dbraw/zinc/60/75/86/1123607586.db2.gz FALFBXUCLAAMMT-WQLSENKSSA-N -1 1 359.809 4.071 20 30 FIEDMM N#CC(=C([O-])c1ccc2c(c1)OCO2)c1nc2cc(Cl)ccc2s1 ZINC000076606525 1125006424 /nfs/dbraw/zinc/00/64/24/1125006424.db2.gz BILUCYXHQISOOH-LLVKDONJSA-N -1 1 356.790 4.168 20 30 FIEDMM Cc1c(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cnn1C(C)(C)C ZINC000051656162 568139827 /nfs/dbraw/zinc/13/98/27/568139827.db2.gz XGQGJMYBJBGIFY-LBPRGKRZSA-N -1 1 371.391 4.181 20 30 FIEDMM COc1ccc(/C=C\C(=O)c2cc(C)ccc2[O-])cc1OCCCC#N ZINC000255086362 1081136186 /nfs/dbraw/zinc/13/61/86/1081136186.db2.gz GZTOVCLSVRCRCB-TWGQIWQCSA-N -1 1 351.402 4.288 20 30 FIEDMM CCCn1ccc2cc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)ccc21 ZINC000065069857 1083294495 /nfs/dbraw/zinc/29/44/95/1083294495.db2.gz YQLYNJHWZAETDG-UHFFFAOYSA-N -1 1 373.865 4.377 20 30 FIEDMM N#CC(=C([O-])c1ccc(OC(F)F)c(F)c1)c1nc(C2CC2)cs1 ZINC000647379989 1083376430 /nfs/dbraw/zinc/37/64/30/1083376430.db2.gz AYLXUGYMJSHDQU-SNVBAGLBSA-N -1 1 352.337 4.251 20 30 FIEDMM COc1ccc(C(=O)/C=C\c2ccc([O-])c(Cl)c2)cc1Cn1cccn1 ZINC000255680754 1083389957 /nfs/dbraw/zinc/38/99/57/1083389957.db2.gz NSCXLFYWVYAUSD-UTCJRWHESA-N -1 1 368.820 4.195 20 30 FIEDMM N#CC(=C([O-])c1ccn(-c2ccccc2F)n1)c1ccc2ccccc2n1 ZINC000613292811 1084554692 /nfs/dbraw/zinc/55/46/92/1084554692.db2.gz XSRHPTGTQXCAFA-HNNXBMFYSA-N -1 1 356.360 4.050 20 30 FIEDMM Cc1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c(C)n1CC(F)(F)F ZINC000647376687 1087797929 /nfs/dbraw/zinc/79/79/29/1087797929.db2.gz XGDUYOIVBNDWTD-ZDUSSCGKSA-N -1 1 367.396 4.491 20 30 FIEDMM Cc1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c(C)n1C1CCOCC1 ZINC000659115654 1088122150 /nfs/dbraw/zinc/12/21/50/1088122150.db2.gz FHGPIAFJAFWQKA-QGZVFWFLSA-N -1 1 369.490 4.280 20 30 FIEDMM C=CCn1c(Cc2csc(NC(=O)CCCCCC)n2)n[n-]c1=S ZINC000026095598 1091708658 /nfs/dbraw/zinc/70/86/58/1091708658.db2.gz RJVYRLHOHNDCHV-UHFFFAOYSA-N -1 1 365.528 4.083 20 30 FIEDMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccccc1SCCC#N ZINC000520800581 1092270305 /nfs/dbraw/zinc/27/03/05/1092270305.db2.gz JXDUZRAZFKQOMX-UHFFFAOYSA-N -1 1 366.895 4.455 20 30 FIEDMM N#CC1CCC(CN=c2[n-]c(C(F)(F)F)c(Br)s2)CC1 ZINC000418950260 1092353807 /nfs/dbraw/zinc/35/38/07/1092353807.db2.gz QFQXHDQZCTYVPK-UHFFFAOYSA-N -1 1 368.222 4.088 20 30 FIEDMM Cc1nc(-c2ccc(N[C@H]3CCCc4cc(C#N)ccc43)nc2)[n-]c(=O)c1C ZINC000419020630 1092450856 /nfs/dbraw/zinc/45/08/56/1092450856.db2.gz XAIKMHDEYAGRCI-IBGZPJMESA-N -1 1 371.444 4.222 20 30 FIEDMM N#Cc1ccc(C(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)cc1[O-] ZINC000442838868 1092799440 /nfs/dbraw/zinc/79/94/40/1092799440.db2.gz LXENXHNKKVNTEN-OAQYLSRUSA-N -1 1 354.409 4.052 20 30 FIEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cc(F)c(Cl)cc1Cl ZINC000442897940 1092841919 /nfs/dbraw/zinc/84/19/19/1092841919.db2.gz NNDPGHLALDHCRE-MRVPVSSYSA-N -1 1 353.180 4.201 20 30 FIEDMM N#Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)cc1[O-] ZINC000443110971 1092945761 /nfs/dbraw/zinc/94/57/61/1092945761.db2.gz PLAMXPXVRUWPJM-NVXWUHKLSA-N -1 1 374.362 4.349 20 30 FIEDMM N#Cc1ccc(C(=O)N2CCCCC[C@H]2/C=C/c2cccs2)cc1[O-] ZINC000443121418 1092953859 /nfs/dbraw/zinc/95/38/59/1092953859.db2.gz WSIIIDYIPFNRAX-FVNWOWOISA-N -1 1 352.459 4.424 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)Nc2nc(-c3ccc(F)c(Cl)c3)cs2)c1 ZINC000614298093 1093352222 /nfs/dbraw/zinc/35/22/22/1093352222.db2.gz LWOOQWGPDOBPSO-UHFFFAOYSA-N -1 1 373.796 4.432 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1 ZINC000614293628 1093355579 /nfs/dbraw/zinc/35/55/79/1093355579.db2.gz QGPLAALWAJTPIF-UHFFFAOYSA-N -1 1 355.806 4.293 20 30 FIEDMM CCOc1ccc([C@H](NC(=O)c2cc([O-])cc(C#N)c2)c2ccccc2)cc1 ZINC000614295052 1093357019 /nfs/dbraw/zinc/35/70/19/1093357019.db2.gz DFCKTNFUAHJFSU-JOCHJYFZSA-N -1 1 372.424 4.182 20 30 FIEDMM N#Cc1c([N-]C(=O)c2cc(-c3ccccn3)no2)sc2c1CCCCC2 ZINC000474213536 1093590609 /nfs/dbraw/zinc/59/06/09/1093590609.db2.gz YWVTYJIEAXCHNC-UHFFFAOYSA-N -1 1 364.430 4.191 20 30 FIEDMM Cc1ccc(SCC(F)(F)F)c(NC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000614369682 1093767100 /nfs/dbraw/zinc/76/71/00/1093767100.db2.gz MSKYKSPIAFAIHQ-UHFFFAOYSA-N -1 1 366.364 4.479 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1 ZINC000614370568 1093771526 /nfs/dbraw/zinc/77/15/26/1093771526.db2.gz KURLFQCYOWNYKB-UHFFFAOYSA-N -1 1 373.343 4.319 20 30 FIEDMM N#Cc1ccc([O-])c(NC(=O)c2cccc3nc(-c4cccs4)[nH]c32)c1 ZINC000760018834 1096413937 /nfs/dbraw/zinc/41/39/37/1096413937.db2.gz JIHRBFGCRDABFH-UHFFFAOYSA-N -1 1 360.398 4.121 20 30 FIEDMM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436750878 1099284219 /nfs/dbraw/zinc/28/42/19/1099284219.db2.gz ICRQJPPLIBZCJD-SJORKVTESA-N -1 1 374.362 4.323 20 30 FIEDMM N#Cc1ccc(C2=CCN(C(=O)c3ccc(C(F)(F)F)cc3[O-])CC2)cc1 ZINC000436766041 1099306147 /nfs/dbraw/zinc/30/61/47/1099306147.db2.gz BWQNPNPLWAPNMV-UHFFFAOYSA-N -1 1 372.346 4.212 20 30 FIEDMM C=CCCC1(c2nc(-c3cc(Br)c([O-])c(OC)c3)no2)CC1 ZINC000436875174 1099385819 /nfs/dbraw/zinc/38/58/19/1099385819.db2.gz SSWIUFVTUOEGRA-UHFFFAOYSA-N -1 1 365.227 4.211 20 30 FIEDMM C=C[C@](C)(CC)c1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000436880461 1099397976 /nfs/dbraw/zinc/39/79/76/1099397976.db2.gz RCBZVGPPAGJIKD-OAHLLOKOSA-N -1 1 353.216 4.067 20 30 FIEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)c1 ZINC000438769091 1100906598 /nfs/dbraw/zinc/90/65/98/1100906598.db2.gz AXXDPLZFWAFOBX-UHFFFAOYSA-N -1 1 373.474 4.281 20 30 FIEDMM N#Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccsc3)cc2)cc1 ZINC000506706293 1101836446 /nfs/dbraw/zinc/83/64/46/1101836446.db2.gz JCOUQZPWDPNNFT-UHFFFAOYSA-N -1 1 356.428 4.213 20 30 FIEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc2nc(C3CC3)sc2c1 ZINC000475799412 1101888975 /nfs/dbraw/zinc/88/89/75/1101888975.db2.gz UKKIQYWDJJSUOE-UHFFFAOYSA-N -1 1 369.471 4.041 20 30 FIEDMM Cc1ccc(-c2cccnc2)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000475824506 1101984630 /nfs/dbraw/zinc/98/46/30/1101984630.db2.gz IVSVKCWXNBBDPP-UHFFFAOYSA-N -1 1 363.442 4.038 20 30 FIEDMM N#CC(=C([O-])c1cc2c(s1)CCCCCC2)c1nnc2n1CCCCC2 ZINC000060851464 1102160130 /nfs/dbraw/zinc/16/01/30/1102160130.db2.gz BIGUJYDDXJITNL-HNNXBMFYSA-N -1 1 368.506 4.215 20 30 FIEDMM CCOc1cc(C(=O)NC[C@@]2(O)CCCC(C)(C)C2)cc(Cl)c1[O-] ZINC000331251019 1104711425 /nfs/dbraw/zinc/71/14/25/1104711425.db2.gz OZBDNYRJSRQVHF-GOSISDBHSA-N -1 1 355.862 4.080 20 30 FIEDMM C=C[C@](C)(CC)C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000190556947 1104926546 /nfs/dbraw/zinc/92/65/46/1104926546.db2.gz CUJYPPJEISCBTP-HXUWFJFHSA-N -1 1 372.490 4.337 20 30 FIEDMM Cc1oc(-c2ccccc2)nc1C([O-])=C(C#N)c1nc2cccc(C)c2[nH]1 ZINC000524033076 1108764421 /nfs/dbraw/zinc/76/44/21/1108764421.db2.gz BQELZWONOFTUFR-OAHLLOKOSA-N -1 1 356.385 4.325 20 30 FIEDMM CCc1c(C)sc([N-]C(=O)c2cc(-c3cccc(C#N)c3)no2)c1C#N ZINC000448223454 1109748407 /nfs/dbraw/zinc/74/84/07/1109748407.db2.gz NWTPFHDESAZGFO-UHFFFAOYSA-N -1 1 362.414 4.270 20 30 FIEDMM N#Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)cc1[O-] ZINC000552866594 1111837068 /nfs/dbraw/zinc/83/70/68/1111837068.db2.gz HVGHQVZVNRVEJW-SJORKVTESA-N -1 1 374.362 4.349 20 30 FIEDMM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@]2(C#N)CCC[C@H](C)C2)c1Cl ZINC000479160935 1111956229 /nfs/dbraw/zinc/95/62/29/1111956229.db2.gz SLAXFUORDXJFDR-ZUZCIYMTSA-N -1 1 361.294 4.053 20 30 FIEDMM COc1cc(OC2CC2)ccc1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000482858079 1113382922 /nfs/dbraw/zinc/38/29/22/1113382922.db2.gz NUBOBHHWXBBFMC-OAHLLOKOSA-N -1 1 356.447 4.306 20 30 FIEDMM CCOc1cc(C(=O)N[C@@H](C#N)c2ccc(CC)cc2)cc(Cl)c1[O-] ZINC000489958873 1114194056 /nfs/dbraw/zinc/19/40/56/1114194056.db2.gz SGBWIMNIZBJBFN-INIZCTEOSA-N -1 1 358.825 4.001 20 30 FIEDMM COc1cccc(-c2nc(/C=C/C(=O)c3cc(O)ccc3[O-])cs2)c1 ZINC000156662608 1114488514 /nfs/dbraw/zinc/48/85/14/1114488514.db2.gz ROVSPTJBPLILED-FNORWQNLSA-N -1 1 353.399 4.126 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)N2CCC(F)(Cc3ccc(Cl)cc3)CC2)c1 ZINC000590774854 1114972254 /nfs/dbraw/zinc/97/22/54/1114972254.db2.gz SPERIFFKPIJRMI-UHFFFAOYSA-N -1 1 372.827 4.104 20 30 FIEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(C3CCCC3)c2)n1 ZINC000595240575 1115521198 /nfs/dbraw/zinc/52/11/98/1115521198.db2.gz IDOYZHHMRRTQDH-INIZCTEOSA-N -1 1 368.458 4.467 20 30 FIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccc(F)c3)cc2)cc1 ZINC000603985272 1115836797 /nfs/dbraw/zinc/83/67/97/1115836797.db2.gz HMHJKSKCQCLNHE-UHFFFAOYSA-N -1 1 368.389 4.290 20 30 FIEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000443131662 1116354989 /nfs/dbraw/zinc/35/49/89/1116354989.db2.gz ROALAUGPOMOYSL-HNNXBMFYSA-N -1 1 367.408 4.294 20 30 FIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccnn3C(C)C)n2)cc1 ZINC000151656758 1118954069 /nfs/dbraw/zinc/95/40/69/1118954069.db2.gz JCAFPEJFNGFPFL-HNNXBMFYSA-N -1 1 366.446 4.086 20 30 FIEDMM Cc1cc(S(=O)(=O)[N-]c2ccccc2SCCC#N)cc(C)c1F ZINC000172893552 1118988581 /nfs/dbraw/zinc/98/85/81/1118988581.db2.gz UHZUIPBLVZYNKC-UHFFFAOYSA-N -1 1 364.467 4.249 20 30 FIEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc3c(c2)NC(=O)[C@H](C)S3)n1 ZINC000177751110 1119349281 /nfs/dbraw/zinc/34/92/81/1119349281.db2.gz JBOMVXPAFMHVCB-CMPLNLGQSA-N -1 1 371.487 4.189 20 30 FIEDMM CCn1cc(Br)cc1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000177773807 1119350016 /nfs/dbraw/zinc/35/00/16/1119350016.db2.gz WSHCRMCYRQNILP-LLVKDONJSA-N -1 1 366.284 4.340 20 30 FIEDMM CCc1ccccc1S(=O)(=O)[N-]c1ccccc1S[C@H](C)CC#N ZINC000187438575 1119783463 /nfs/dbraw/zinc/78/34/63/1119783463.db2.gz QIBNBCZEHUDDDL-CQSZACIVSA-N -1 1 360.504 4.444 20 30 FIEDMM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000191567686 1119984405 /nfs/dbraw/zinc/98/44/05/1119984405.db2.gz RPCZXCZPVOYUIE-UHFFFAOYSA-N -1 1 359.447 4.068 20 30 FIEDMM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000191570054 1119984902 /nfs/dbraw/zinc/98/49/02/1119984902.db2.gz QDJKHEJTKUAYLN-UHFFFAOYSA-N -1 1 357.475 4.274 20 30 FIEDMM CCCC(C)=CC(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000920325213 1123444261 /nfs/dbraw/zinc/44/42/61/1123444261.db2.gz XBBDZEXMKUVOQA-PRWOLLLXSA-N -1 1 355.463 4.198 20 30 FIEDMM N#CCCSc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000609379930 1123697338 /nfs/dbraw/zinc/69/73/38/1123697338.db2.gz YOXKSHPYFDQQMO-UHFFFAOYSA-N -1 1 352.868 4.147 20 30 FIEDMM CC(C)c1csc(C(C#N)=C([O-])c2cccc(Oc3cnccn3)c2)n1 ZINC000080456074 1123966432 /nfs/dbraw/zinc/96/64/32/1123966432.db2.gz PQNNFTROTNSBIL-OAHLLOKOSA-N -1 1 364.430 4.339 20 30 FIEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(CSCC)cc2)n1 ZINC000067897323 1123984764 /nfs/dbraw/zinc/98/47/64/1123984764.db2.gz YSSQRYQKJOJVFQ-CQSZACIVSA-N -1 1 374.487 4.063 20 30 FIEDMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1SC[C@H](C)C#N ZINC000108251871 1124270182 /nfs/dbraw/zinc/27/01/82/1124270182.db2.gz JLVHMULLPZOLCR-GFCCVEGCSA-N -1 1 364.467 4.187 20 30 FIEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000007056085 1124858618 /nfs/dbraw/zinc/85/86/18/1124858618.db2.gz VEHHMABSLNCCTI-UHFFFAOYSA-N -1 1 360.744 4.031 20 30 FIEDMM N#CCCSc1ccc(C(F)(F)F)cc1[N-]C(=O)c1nccs1 ZINC000618390159 1125161464 /nfs/dbraw/zinc/16/14/64/1125161464.db2.gz JATPXEWJCUYLLO-UHFFFAOYSA-N -1 1 357.382 4.420 20 30 FIEDMM N#Cc1ccc(Oc2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000084712546 205660122 /nfs/dbraw/zinc/66/01/22/205660122.db2.gz CMDDXGMSDZAULG-UHFFFAOYSA-N -1 1 350.399 4.151 20 30 FIEDMM CCOC(=O)CCCc1ccc(C#N)cc1Nc1cc(F)cc(F)c1[O-] ZINC001212491553 1125518238 /nfs/dbraw/zinc/51/82/38/1125518238.db2.gz USRBONGMUMECPH-UHFFFAOYSA-N -1 1 360.360 4.171 20 30 FIEDMM N#CCc1cccc(S(=O)(=O)[N-]c2cccc(-c3cccs3)c2)c1 ZINC000619462528 1125596272 /nfs/dbraw/zinc/59/62/72/1125596272.db2.gz GVPKBRNOEBSSSS-UHFFFAOYSA-N -1 1 354.456 4.282 20 30 FIEDMM O=C(/C=C/c1ccc([O-])c(F)c1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000121249538 1079566551 /nfs/dbraw/zinc/56/65/51/1079566551.db2.gz NSDBKKBSDGNDLH-VZUCSPMQSA-N -1 1 374.433 4.144 20 30 FIEDMM CCCNC(=O)c1cccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000430616037 1082693824 /nfs/dbraw/zinc/69/38/24/1082693824.db2.gz FEPJNNUUIIKJDO-OAHLLOKOSA-N -1 1 369.490 4.070 20 30 FIEDMM Cn1cc(Br)cc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430616362 1082704911 /nfs/dbraw/zinc/70/49/11/1082704911.db2.gz AUJLWYYAECOAQI-JTQLQIEISA-N -1 1 366.284 4.032 20 30 FIEDMM CN(C)C(=O)Nc1cccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000430620656 1082726745 /nfs/dbraw/zinc/72/67/45/1082726745.db2.gz CGTZUXKTBLXHOA-AWEZNQCLSA-N -1 1 370.478 4.024 20 30 FIEDMM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2n[n-]c(C(F)(F)F)n2)c1 ZINC000051266483 1082949313 /nfs/dbraw/zinc/94/93/13/1082949313.db2.gz YMLKRLWOFLQJNC-SNVBAGLBSA-N -1 1 356.348 4.311 20 30 FIEDMM N#CC(=C([O-])c1cccc(OCC(F)(F)F)c1)c1nc(C2CC2)cs1 ZINC000647378267 1083368467 /nfs/dbraw/zinc/36/84/67/1083368467.db2.gz JLYBQHSGKGLOIQ-CYBMUJFWSA-N -1 1 366.364 4.452 20 30 FIEDMM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000091990224 1083689185 /nfs/dbraw/zinc/68/91/85/1083689185.db2.gz ZQNLTVQMXOVUOU-LEWJYISDSA-N -1 1 356.425 4.457 20 30 FIEDMM N#Cc1cccc(COc2ccc(NC(=O)c3ccc([O-])c(F)c3)cc2)c1 ZINC000613503632 1084855284 /nfs/dbraw/zinc/85/52/84/1084855284.db2.gz YMJJIPPHGXNARE-UHFFFAOYSA-N -1 1 362.360 4.234 20 30 FIEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)ccc1Cl ZINC000175973464 1085049374 /nfs/dbraw/zinc/04/93/74/1085049374.db2.gz JUVOEYOKSZXFGA-UHFFFAOYSA-N -1 1 373.821 4.031 20 30 FIEDMM CC(F)(F)CC(=O)[N-][C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000429091506 1086925733 /nfs/dbraw/zinc/92/57/33/1086925733.db2.gz PTVLYWWSOFLKSQ-SNVBAGLBSA-N -1 1 365.220 4.350 20 30 FIEDMM Cc1csc(C(C#N)=C([O-])c2cc(N(C)C)cc(C(F)(F)F)c2)n1 ZINC000659010097 1087895125 /nfs/dbraw/zinc/89/51/25/1087895125.db2.gz HLRZFHRHFQWWNH-CYBMUJFWSA-N -1 1 353.369 4.026 20 30 FIEDMM Cc1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c(C)n1C1CCOCC1 ZINC000659115653 1088122243 /nfs/dbraw/zinc/12/22/43/1088122243.db2.gz FHGPIAFJAFWQKA-KRWDZBQOSA-N -1 1 369.490 4.280 20 30 FIEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)c1 ZINC000589439271 1088639177 /nfs/dbraw/zinc/63/91/77/1088639177.db2.gz WUUHHFPYMUSXNA-UHFFFAOYSA-N -1 1 372.421 4.130 20 30 FIEDMM C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3ncsc3C(F)(F)F)sc2C1 ZINC000549212620 1089239353 /nfs/dbraw/zinc/23/93/53/1089239353.db2.gz DRUDWGXVUNZRSP-SSDOTTSWSA-N -1 1 371.409 4.472 20 30 FIEDMM CC(=O)c1ncc(C(=O)[N-]c2sc3c(c2C#N)[C@@H](C)C[C@@H](C)C3)s1 ZINC000415733067 1089875152 /nfs/dbraw/zinc/87/51/52/1089875152.db2.gz APVJOKOPNAWJJU-BDAKNGLRSA-N -1 1 359.476 4.217 20 30 FIEDMM N#C[C@@H](c1ccc(Cl)cc1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000660023999 1090425445 /nfs/dbraw/zinc/42/54/45/1090425445.db2.gz CJHUMAXBQRYJFQ-IBGZPJMESA-N -1 1 354.837 4.205 20 30 FIEDMM COCCOc1cccc(F)c1C(=O)/C=C/c1ccc([O-])c(Cl)c1 ZINC000103915019 1091322833 /nfs/dbraw/zinc/32/28/33/1091322833.db2.gz DQURRWLEVBHLBR-SOFGYWHQSA-N -1 1 350.773 4.106 20 30 FIEDMM Cc1csc(C(C#N)=C([O-])c2cccc(C(=O)N(C)CC(C)(C)C)c2)n1 ZINC000442600433 1092692954 /nfs/dbraw/zinc/69/29/54/1092692954.db2.gz OPNCQBYCDOYSKC-INIZCTEOSA-N -1 1 369.490 4.060 20 30 FIEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)C(c1ccccc1)c1ccccc1 ZINC000442867463 1092813893 /nfs/dbraw/zinc/81/38/93/1092813893.db2.gz LQTWJIDKAFZNLI-MRXNPFEDSA-N -1 1 356.425 4.214 20 30 FIEDMM N#Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1[O-] ZINC000443115894 1092950942 /nfs/dbraw/zinc/95/09/42/1092950942.db2.gz AKCQPVZFDZYGHK-SJORKVTESA-N -1 1 374.362 4.349 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)c1 ZINC000614295577 1093358647 /nfs/dbraw/zinc/35/86/47/1093358647.db2.gz RVFKQRGNAUAQAA-UHFFFAOYSA-N -1 1 362.360 4.234 20 30 FIEDMM COc1ccc([C@H]2CCCCCN2C(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000614357853 1093759674 /nfs/dbraw/zinc/75/96/74/1093759674.db2.gz RTMCCIXDSDSXCJ-HXUWFJFHSA-N -1 1 350.418 4.030 20 30 FIEDMM Cc1ccc(CN(Cc2ccco2)C(=O)c2cc([O-])cc(C#N)c2)s1 ZINC000614365704 1093761984 /nfs/dbraw/zinc/76/19/84/1093761984.db2.gz ABMXOQNERGCBDG-UHFFFAOYSA-N -1 1 352.415 4.069 20 30 FIEDMM Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614365544 1093766587 /nfs/dbraw/zinc/76/65/87/1093766587.db2.gz VDQSIRLYGKNCBU-GFCCVEGCSA-N -1 1 363.442 4.187 20 30 FIEDMM Cc1ccn(-c2ccc(C([O-])=C(C#N)c3nc(C(C)C)cs3)cc2)n1 ZINC000474431726 1093774188 /nfs/dbraw/zinc/77/41/88/1093774188.db2.gz KKTRBOOJCNXJDD-INIZCTEOSA-N -1 1 350.447 4.251 20 30 FIEDMM CC(C)c1cc(Br)ccc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614373852 1093774594 /nfs/dbraw/zinc/77/45/94/1093774594.db2.gz MZOVZEVJQSNXEH-UHFFFAOYSA-N -1 1 359.223 4.402 20 30 FIEDMM Cc1ccnn1-c1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cc1 ZINC000474428060 1093780379 /nfs/dbraw/zinc/78/03/79/1093780379.db2.gz BXSHNFCPFVUEFG-INIZCTEOSA-N -1 1 350.447 4.251 20 30 FIEDMM CCN(CC)C(=O)c1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cc1 ZINC000474440236 1093786743 /nfs/dbraw/zinc/78/67/43/1093786743.db2.gz XDSZLLFLSOLLGG-MRXNPFEDSA-N -1 1 369.490 4.239 20 30 FIEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc2oc(C(C)(C)C)nc2c1 ZINC000513409519 1094098855 /nfs/dbraw/zinc/09/88/55/1094098855.db2.gz WGNZVVLVEZQVGL-UHFFFAOYSA-N -1 1 369.446 4.106 20 30 FIEDMM C=CCCC1(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)CC1 ZINC000474877270 1094838818 /nfs/dbraw/zinc/83/88/18/1094838818.db2.gz FZWXQYBEFJZCGH-UHFFFAOYSA-N -1 1 370.474 4.172 20 30 FIEDMM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc2ccccc2c1[O-] ZINC000436532522 1099087421 /nfs/dbraw/zinc/08/74/21/1099087421.db2.gz KEZZLRYWCFSBOH-UHFFFAOYSA-N -1 1 362.385 4.282 20 30 FIEDMM C=CC[C@@H](CC)NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436776821 1099296974 /nfs/dbraw/zinc/29/69/74/1099296974.db2.gz AKECMXGFQUJMRJ-OAHLLOKOSA-N -1 1 374.387 4.007 20 30 FIEDMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C#N)c(C(F)(F)F)c1 ZINC000438773091 1100908292 /nfs/dbraw/zinc/90/82/92/1100908292.db2.gz BIOSITQBXDXCIL-UHFFFAOYSA-N -1 1 374.771 4.340 20 30 FIEDMM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2oc(C3CC3)nc2C)cc1 ZINC000760182461 1101579397 /nfs/dbraw/zinc/57/93/97/1101579397.db2.gz HJFSXRKETOOXPT-KRWDZBQOSA-N -1 1 365.433 4.164 20 30 FIEDMM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc2c(c1)N(C)CC2 ZINC000473760110 1102696255 /nfs/dbraw/zinc/69/62/55/1102696255.db2.gz JDEIQSMJADSXCU-UHFFFAOYSA-N -1 1 370.518 4.332 20 30 FIEDMM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000473774570 1102724379 /nfs/dbraw/zinc/72/43/79/1102724379.db2.gz TZZUESBBLCGXOB-UHFFFAOYSA-N -1 1 357.475 4.370 20 30 FIEDMM C=C[C@](C)(CC)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000190525453 1104923903 /nfs/dbraw/zinc/92/39/03/1104923903.db2.gz MCVKYPQJIWZRGI-LJQANCHMSA-N -1 1 358.463 4.028 20 30 FIEDMM N#Cc1cccc(-c2cc(C(=O)[N-]c3cc(Cl)cc(F)c3F)on2)c1 ZINC000441574750 1104997970 /nfs/dbraw/zinc/99/79/70/1104997970.db2.gz LEQRZRQICRADGK-UHFFFAOYSA-N -1 1 359.719 4.397 20 30 FIEDMM Cc1sccc1C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000453579438 1108641547 /nfs/dbraw/zinc/64/15/47/1108641547.db2.gz ASWZQFSUDDEVPN-GFCCVEGCSA-N -1 1 369.471 4.136 20 30 FIEDMM N#Cc1c2c(sc1[N-]C(=O)c1cc(-c3cccc(C#N)c3)no1)CCCC2 ZINC000448096640 1109723806 /nfs/dbraw/zinc/72/38/06/1109723806.db2.gz FWFUEPKCMXALBL-UHFFFAOYSA-N -1 1 374.425 4.278 20 30 FIEDMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccnc(N(C)C)c3)n2)cc1 ZINC000478079535 1111672062 /nfs/dbraw/zinc/67/20/62/1111672062.db2.gz RGQNDZWIBRPIHX-MRXNPFEDSA-N -1 1 362.458 4.070 20 30 FIEDMM N#CCCCOc1cccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)c1 ZINC000554684278 1112441100 /nfs/dbraw/zinc/44/11/00/1112441100.db2.gz USOGLABRUCUMPM-UHFFFAOYSA-N -1 1 366.389 4.108 20 30 FIEDMM N#CC1(c2ccccc2)CCN(Cc2ccc(Cl)cc2C(=O)[O-])CC1 ZINC001142643163 1112962941 /nfs/dbraw/zinc/96/29/41/1112962941.db2.gz IWNXATZTGOMVRD-UHFFFAOYSA-N -1 1 354.837 4.096 20 30 FIEDMM COc1cc(OC2CC2)ccc1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000482858077 1113382992 /nfs/dbraw/zinc/38/29/92/1113382992.db2.gz NUBOBHHWXBBFMC-HNNXBMFYSA-N -1 1 356.447 4.306 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)N(Cc2cccs2)C2Cc3ccccc3C2)c1 ZINC000586834895 1114399904 /nfs/dbraw/zinc/39/99/04/1114399904.db2.gz SDJHXEUJUIRVMR-UHFFFAOYSA-N -1 1 374.465 4.135 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)N(Cc2ccc(F)cc2Cl)CC2CC2)c1 ZINC000586867024 1114401527 /nfs/dbraw/zinc/40/15/27/1114401527.db2.gz QCRFGQBSNKZSES-UHFFFAOYSA-N -1 1 358.800 4.109 20 30 FIEDMM CC(C)(C#N)c1ccc(CN[C@@H](CC(=O)[O-])c2ccc(F)cc2F)cc1 ZINC000593946931 1115353682 /nfs/dbraw/zinc/35/36/82/1115353682.db2.gz CZVGLELCGHPVGL-SFHVURJKSA-N -1 1 358.388 4.072 20 30 FIEDMM O=C(Nc1cccc(/C=C2\CCc3cc([O-])ccc3C2=O)c1)C(F)(F)F ZINC000060340098 1115620013 /nfs/dbraw/zinc/62/00/13/1115620013.db2.gz LBHDRDFQAAIDBQ-MDWZMJQESA-N -1 1 361.319 4.106 20 30 FIEDMM N#Cc1cc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)ccc1Cl ZINC000603970504 1115835412 /nfs/dbraw/zinc/83/54/12/1115835412.db2.gz SWIMJSBBEBWHGL-UHFFFAOYSA-N -1 1 361.637 4.319 20 30 FIEDMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000539799315 1116381967 /nfs/dbraw/zinc/38/19/67/1116381967.db2.gz GEJQYXLUVUBYEV-UHFFFAOYSA-N -1 1 365.614 4.241 20 30 FIEDMM CCN(C(=O)c1ccc(C#N)c([O-])c1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000443309408 1117968935 /nfs/dbraw/zinc/96/89/35/1117968935.db2.gz FONFZPKFRRWWBL-LJQANCHMSA-N -1 1 354.425 4.132 20 30 FIEDMM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cccc(C(=O)OC)c1 ZINC000191568100 1119984549 /nfs/dbraw/zinc/98/45/49/1119984549.db2.gz PGWWIYBPAAREFY-UHFFFAOYSA-N -1 1 373.474 4.126 20 30 FIEDMM CCOc1ccc(N(CCC#N)C(=O)c2cc(Cl)c([O-])c(OC)c2)cc1 ZINC000153753287 1121130435 /nfs/dbraw/zinc/13/04/35/1121130435.db2.gz BWZXFILKNROUET-UHFFFAOYSA-N -1 1 374.824 4.013 20 30 FIEDMM CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000326495616 1121329220 /nfs/dbraw/zinc/32/92/20/1121329220.db2.gz YTNYFLGAYOYVPT-GFCCVEGCSA-N -1 1 364.854 4.190 20 30 FIEDMM N#Cc1ccc(C(=O)N[C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)cc1[O-] ZINC000552866593 1121337014 /nfs/dbraw/zinc/33/70/14/1121337014.db2.gz HVGHQVZVNRVEJW-IRXDYDNUSA-N -1 1 374.362 4.349 20 30 FIEDMM C[C@@H](C=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1)c1cccc(Cl)c1 ZINC000763364853 1121452543 /nfs/dbraw/zinc/45/25/43/1121452543.db2.gz WMJIGZHNEKDSME-NSHDSACASA-N -1 1 372.860 4.142 20 30 FIEDMM C=CCC(CC=C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000123402292 1121490602 /nfs/dbraw/zinc/49/06/02/1121490602.db2.gz GCLZIWDSFCKJTH-UHFFFAOYSA-N -1 1 370.474 4.194 20 30 FIEDMM S=c1[n-]nc(SCc2ccccc2)n1N=Cc1csc(C2CC2)n1 ZINC000920368806 1123448629 /nfs/dbraw/zinc/44/86/29/1123448629.db2.gz PBAKQTJHXZHSSM-UHFFFAOYSA-N -1 1 373.532 4.075 20 30 FIEDMM [O-]c1ccc(CN=Nc2nc(C(F)(F)F)nc3ccccc32)cc1Cl ZINC000921256107 1123596350 /nfs/dbraw/zinc/59/63/50/1123596350.db2.gz LNSNJDUNRBSWSS-UHFFFAOYSA-N -1 1 366.730 4.454 20 30 FIEDMM C[C@@H](C#N)CSc1ccccc1[N-]C(=O)c1cc(-c2ccco2)on1 ZINC000108324090 1124288226 /nfs/dbraw/zinc/28/82/26/1124288226.db2.gz ZGISMADOIXPIKK-LBPRGKRZSA-N -1 1 353.403 4.439 20 30 FIEDMM CC(C)C[C@H](C)CC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000070031550 1125244998 /nfs/dbraw/zinc/24/49/98/1125244998.db2.gz CSAGTWQYPAWPFG-JSGCOSHPSA-N -1 1 371.506 4.112 20 30 FIEDMM C[C@@H](CC#N)Sc1ccccc1[N-]C(=O)c1coc(C(F)(F)F)n1 ZINC000602095764 567933380 /nfs/dbraw/zinc/93/33/80/567933380.db2.gz FCUSYKLBORWCKU-VIFPVBQESA-N -1 1 355.341 4.340 20 30 FIEDMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2)c2ccccc12 ZINC000032586035 568392582 /nfs/dbraw/zinc/39/25/82/568392582.db2.gz FOHAUDQUAURTIK-UHFFFAOYSA-N -1 1 366.442 4.299 20 30 FIEDMM CC(C)c1nc2ccc([N-]S(=O)(=O)c3cccc(CC#N)c3)cc2s1 ZINC000619462341 1125595925 /nfs/dbraw/zinc/59/59/25/1125595925.db2.gz HLMDBLYLLVUMKW-UHFFFAOYSA-N -1 1 371.487 4.287 20 30 FIEDMM N#CCc1cccc(S(=O)(=O)[N-]c2cccc(CCC(F)(F)F)c2)c1 ZINC000619463331 1125595995 /nfs/dbraw/zinc/59/59/95/1125595995.db2.gz JWJJNZVROORONF-UHFFFAOYSA-N -1 1 368.380 4.048 20 30 FIEDMM Cc1c([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cccc1C(F)(F)F ZINC000471125646 1079756244 /nfs/dbraw/zinc/75/62/44/1079756244.db2.gz RRTJUCYYXXIAGL-UHFFFAOYSA-N -1 1 374.771 4.340 20 30 FIEDMM CSc1c(F)cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1F ZINC000580856183 1082191413 /nfs/dbraw/zinc/19/14/13/1082191413.db2.gz HNQMZSKRZCSEBO-UHFFFAOYSA-N -1 1 374.821 4.013 20 30 FIEDMM N#CC(=C([O-])c1coc2c1C(=O)CCC2)c1nc2ccccc2n1C(F)F ZINC000581173746 1082358186 /nfs/dbraw/zinc/35/81/86/1082358186.db2.gz KCXDNUHXTKSLRV-SNVBAGLBSA-N -1 1 369.327 4.033 20 30 FIEDMM Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)C=Cc1ccnc(Cl)c1 ZINC000255323708 1082674304 /nfs/dbraw/zinc/67/43/04/1082674304.db2.gz OIINUYMGYXRLCC-XHPSBEMXSA-N -1 1 363.804 4.130 20 30 FIEDMM N#CC(=C([O-])c1ccc(F)c(Br)c1)c1nc(C2CC2)cs1 ZINC000647378387 1083368227 /nfs/dbraw/zinc/36/82/27/1083368227.db2.gz VHJZZERNTHYGTI-JTQLQIEISA-N -1 1 365.227 4.412 20 30 FIEDMM C=CCCS(=O)(=O)[N-]c1cc(Cl)ccc1SCC(F)(F)F ZINC000431183567 1083400640 /nfs/dbraw/zinc/40/06/40/1083400640.db2.gz YDGDXAYJJXEUSC-UHFFFAOYSA-N -1 1 359.822 4.312 20 30 FIEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1Cl ZINC000535703880 1083591902 /nfs/dbraw/zinc/59/19/02/1083591902.db2.gz XVLOASSUZGWIMR-UHFFFAOYSA-N -1 1 360.744 4.031 20 30 FIEDMM CC(=CC(C)(C)C)C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000588507520 1084771167 /nfs/dbraw/zinc/77/11/67/1084771167.db2.gz STCFCPIFJJLFRH-PRWOLLLXSA-N -1 1 369.490 4.444 20 30 FIEDMM CCn1c2ccccc2c2cc(C=CC(=O)c3c([O-])cc(C)oc3=O)ccc21 ZINC000003582339 1085128729 /nfs/dbraw/zinc/12/87/29/1085128729.db2.gz LFIQHMMZPFAVTC-CRWWQRIJSA-N -1 1 373.408 4.043 20 30 FIEDMM CC(C)n1ncc2cc(/C=C3\Cc4cc([O-])ccc4C3=O)c(Cl)nc21 ZINC000588535274 1085264450 /nfs/dbraw/zinc/26/44/50/1085264450.db2.gz WAPVCJLFZLJCIQ-WUXMJOGZSA-N -1 1 353.809 4.194 20 30 FIEDMM N#Cc1ccc(C(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)cc1[O-] ZINC000188913601 1088335844 /nfs/dbraw/zinc/33/58/44/1088335844.db2.gz FNIPLHYEIAFOLZ-UHFFFAOYSA-N -1 1 369.424 4.131 20 30 FIEDMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)cc2)cs1 ZINC000435756775 1089932837 /nfs/dbraw/zinc/93/28/37/1089932837.db2.gz VCXUJDBEODNTOM-UHFFFAOYSA-N -1 1 369.471 4.099 20 30 FIEDMM COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000442892073 1092846074 /nfs/dbraw/zinc/84/60/74/1092846074.db2.gz DJTWMMMRNJFQBF-IBGZPJMESA-N -1 1 350.418 4.030 20 30 FIEDMM COc1ccc(CCN(CC(C)(C)C)C(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000442977522 1092884811 /nfs/dbraw/zinc/88/48/11/1092884811.db2.gz AOHFUIFYZYXAJK-UHFFFAOYSA-N -1 1 366.461 4.003 20 30 FIEDMM Cn1c2ccccc2nc1-c1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000614298629 1093355858 /nfs/dbraw/zinc/35/58/58/1093355858.db2.gz WREGVKZMLADXEG-UHFFFAOYSA-N -1 1 368.396 4.070 20 30 FIEDMM CCCOc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1OCCC ZINC000614294206 1093355877 /nfs/dbraw/zinc/35/58/77/1093355877.db2.gz XSYFPAGEDWMTDH-UHFFFAOYSA-N -1 1 354.406 4.094 20 30 FIEDMM C[C@H](C#N)CSc1ccccc1[N-]C(=O)c1nc2cccnc2s1 ZINC000513455234 1094131892 /nfs/dbraw/zinc/13/18/92/1094131892.db2.gz PCSSQGGLKFETSH-LLVKDONJSA-N -1 1 354.460 4.195 20 30 FIEDMM Cc1csc(C(C#N)=C([O-])c2cccc(OCc3csc(C)n3)c2)n1 ZINC000041517992 1094641880 /nfs/dbraw/zinc/64/18/80/1094641880.db2.gz UMAITFVAMXGTOX-INIZCTEOSA-N -1 1 369.471 4.286 20 30 FIEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H]1CCCCC12CCCC2 ZINC000329728509 1095223090 /nfs/dbraw/zinc/22/30/90/1095223090.db2.gz HFGTWJDRUQIVAR-MRXNPFEDSA-N -1 1 356.470 4.054 20 30 FIEDMM Cc1cc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1Cl ZINC000533092139 1098769925 /nfs/dbraw/zinc/76/99/25/1098769925.db2.gz SKMBWXKMQYHAFR-UHFFFAOYSA-N -1 1 359.209 4.113 20 30 FIEDMM C=CCN(Cc1cccs1)C(=O)c1ccc(Br)cc1[O-] ZINC000436757633 1099272959 /nfs/dbraw/zinc/27/29/59/1099272959.db2.gz VQQBJEVTIVEMMI-UHFFFAOYSA-N -1 1 352.253 4.045 20 30 FIEDMM C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436776250 1099298858 /nfs/dbraw/zinc/29/88/58/1099298858.db2.gz JTAAFOIOQZGVJC-UHFFFAOYSA-N -1 1 365.351 4.248 20 30 FIEDMM N#Cc1ccccc1OC1CCC(NC(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000436836881 1099347035 /nfs/dbraw/zinc/34/70/35/1099347035.db2.gz FZIMUMORPJSMRI-UHFFFAOYSA-N -1 1 370.836 4.037 20 30 FIEDMM C=C(C)CCc1noc(-c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)n1 ZINC000508643502 1101800501 /nfs/dbraw/zinc/80/05/01/1101800501.db2.gz KDWJTTICYCZESI-UHFFFAOYSA-N -1 1 369.446 4.046 20 30 FIEDMM C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3cc(-c4ccccn4)no3)sc2C1 ZINC000610471534 1102060015 /nfs/dbraw/zinc/06/00/15/1102060015.db2.gz DRRSZYBHAOVJJE-LLVKDONJSA-N -1 1 364.430 4.047 20 30 FIEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C3CCCC3)cc2)n1 ZINC000519571043 1102781248 /nfs/dbraw/zinc/78/12/48/1102781248.db2.gz FGNFWRXSEPEMFA-MRXNPFEDSA-N -1 1 368.458 4.467 20 30 FIEDMM C=C[C@@H](CC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000129614025 1102798374 /nfs/dbraw/zinc/79/83/74/1102798374.db2.gz KCVCLEVXKCGSIK-KRWDZBQOSA-N -1 1 363.457 4.173 20 30 FIEDMM N#CCCC[C@@H](NC(=O)NCc1cccc(Cl)c1[O-])c1ccccc1 ZINC000895042483 1104502943 /nfs/dbraw/zinc/50/29/43/1104502943.db2.gz DSJQELCCOUNDEN-QGZVFWFLSA-N -1 1 357.841 4.280 20 30 FIEDMM C=CCC(CC=C)c1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000445389700 1108706059 /nfs/dbraw/zinc/70/60/59/1108706059.db2.gz DLZLIBHXDOXGKD-UHFFFAOYSA-N -1 1 365.227 4.449 20 30 FIEDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)c2ccccc12 ZINC000524454199 1109029112 /nfs/dbraw/zinc/02/91/12/1109029112.db2.gz WZTIXVBHMXVBDP-UHFFFAOYSA-N -1 1 370.405 4.050 20 30 FIEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccccc1-c1cccs1 ZINC000525366527 1109355185 /nfs/dbraw/zinc/35/51/85/1109355185.db2.gz FDPWNWHVAPQUFW-UHFFFAOYSA-N -1 1 354.456 4.396 20 30 FIEDMM COc1ccc(C([O-])=C(C#N)c2nc(C)cs2)c(OC2CCCC2)c1 ZINC000482565580 1113298523 /nfs/dbraw/zinc/29/85/23/1113298523.db2.gz OCKMQMQWIYDDSI-MRXNPFEDSA-N -1 1 356.447 4.272 20 30 FIEDMM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)oc1C ZINC000128750946 1113393982 /nfs/dbraw/zinc/39/39/82/1113393982.db2.gz GIEPMCDKKVMDON-NSHDSACASA-N -1 1 351.189 4.164 20 30 FIEDMM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cc1 ZINC000588840806 1114657113 /nfs/dbraw/zinc/65/71/13/1114657113.db2.gz LSNQZBCLXNZVJL-UHFFFAOYSA-N -1 1 350.390 4.226 20 30 FIEDMM Cc1csc([N-]C(=O)c2c(F)cc(Br)cc2F)c1C#N ZINC000589034584 1114687755 /nfs/dbraw/zinc/68/77/55/1114687755.db2.gz BEMJGQDRQPPTEK-UHFFFAOYSA-N -1 1 357.179 4.221 20 30 FIEDMM CC(C)OCc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)cc1 ZINC000593195454 1115305424 /nfs/dbraw/zinc/30/54/24/1115305424.db2.gz PPDVRTXFNZXESE-UHFFFAOYSA-N -1 1 372.490 4.214 20 30 FIEDMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593204497 1115306792 /nfs/dbraw/zinc/30/67/92/1115306792.db2.gz XRLDBFYWFYVRAM-UHFFFAOYSA-N -1 1 356.491 4.413 20 30 FIEDMM C[C@H]1Cc2c(C#N)c([N-]C(=O)c3ncoc3-c3ccon3)sc2[C@H](C)C1 ZINC000598839471 1115759826 /nfs/dbraw/zinc/75/98/26/1115759826.db2.gz SMSZSRSSHGPBSE-NXEZZACHSA-N -1 1 368.418 4.201 20 30 FIEDMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1Cl ZINC000603981026 1115836585 /nfs/dbraw/zinc/83/65/85/1115836585.db2.gz KGFSBVHROITKGS-UHFFFAOYSA-N -1 1 371.245 4.065 20 30 FIEDMM COc1ccccc1-c1ccc([C@H](C)NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000443277561 1117876284 /nfs/dbraw/zinc/87/62/84/1117876284.db2.gz TYHTVDNJBAKBIY-HNNXBMFYSA-N -1 1 372.424 4.430 20 30 FIEDMM N#CC(=C([O-])c1ccccc1OC(F)(F)F)c1cc(C(F)(F)F)ccn1 ZINC000464421214 1118558147 /nfs/dbraw/zinc/55/81/47/1118558147.db2.gz LBJCZQDIGHGGHG-NSHDSACASA-N -1 1 374.240 4.489 20 30 FIEDMM C=C(C)C[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000184228628 1119599236 /nfs/dbraw/zinc/59/92/36/1119599236.db2.gz ZPWPATWUIKXWFU-OAHLLOKOSA-N -1 1 358.463 4.028 20 30 FIEDMM N#Cc1ccsc1C(=O)[N-]c1nnc(-c2cc3ccccc3o2)s1 ZINC000191844244 1119998468 /nfs/dbraw/zinc/99/84/68/1119998468.db2.gz APBJTWRQMINZMC-UHFFFAOYSA-N -1 1 352.400 4.137 20 30 FIEDMM N#Cc1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1Br ZINC000487990542 1121003657 /nfs/dbraw/zinc/00/36/57/1121003657.db2.gz GXZJPFYAYBQMPG-UHFFFAOYSA-N -1 1 366.602 4.324 20 30 FIEDMM Cc1cc(C=Nn2c(SCc3ccccc3)n[n-]c2=S)cc(C)c1O ZINC000916368988 1121481909 /nfs/dbraw/zinc/48/19/09/1121481909.db2.gz ZQRTWNOQSWGBKY-UHFFFAOYSA-N -1 1 370.503 4.064 20 30 FIEDMM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1ccc(Cl)s1 ZINC000916900722 1121914219 /nfs/dbraw/zinc/91/42/19/1121914219.db2.gz RWUKHWUERLBORN-CYBMUJFWSA-N -1 1 360.866 4.487 20 30 FIEDMM CC(C)(c1nnc([N-]C(=O)c2sccc2C#N)s1)c1ccccc1 ZINC000106685545 1122234145 /nfs/dbraw/zinc/23/41/45/1122234145.db2.gz XFIUVPGTOYOAOJ-UHFFFAOYSA-N -1 1 354.460 4.049 20 30 FIEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)ccc1Cl ZINC000055586233 1122255657 /nfs/dbraw/zinc/25/56/57/1122255657.db2.gz BPTRYXCPQLFXEZ-UHFFFAOYSA-N -1 1 373.821 4.031 20 30 FIEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc(OC(F)F)c(F)c2)n1 ZINC000498061288 1122538342 /nfs/dbraw/zinc/53/83/42/1122538342.db2.gz LZQUIQOTUNHANZ-SNVBAGLBSA-N -1 1 354.353 4.497 20 30 FIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(C#N)cc3C)n2)cc1 ZINC000129591960 1122644543 /nfs/dbraw/zinc/64/45/43/1122644543.db2.gz NJAZYNONFBOQCA-GOSISDBHSA-N -1 1 373.437 4.489 20 30 FIEDMM CCOc1ccc(C(CC)=NNc2ccc(C(=O)[O-])cc2)cc1OCC ZINC000920826528 1123519106 /nfs/dbraw/zinc/51/91/06/1123519106.db2.gz PABKGNFTPSIXGW-UHFFFAOYSA-N -1 1 356.422 4.408 20 30 FIEDMM Cc1cc(Oc2ccccc2)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000609447630 1123715995 /nfs/dbraw/zinc/71/59/95/1123715995.db2.gz QTCBSTIVQOMKJI-UHFFFAOYSA-N -1 1 364.426 4.460 20 30 FIEDMM CCc1cccc(CC)c1S(=O)(=O)[N-]c1cccc(OCCCC#N)c1 ZINC000609876290 1123870996 /nfs/dbraw/zinc/87/09/96/1123870996.db2.gz LQFHOWBAMXRNOY-UHFFFAOYSA-N -1 1 372.490 4.295 20 30 FIEDMM N#Cc1ccc(C(=O)NCCc2c[nH]c3cc(Cl)cc(Cl)c23)cc1[O-] ZINC000482030347 568232844 /nfs/dbraw/zinc/23/28/44/568232844.db2.gz KEOCYGFBYCVNOV-UHFFFAOYSA-N -1 1 374.227 4.024 20 30 FIEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(CC(C)C)cc2)n1 ZINC000604432297 568286260 /nfs/dbraw/zinc/28/62/60/568286260.db2.gz AWAYWQXVFSRUHS-HNNXBMFYSA-N -1 1 356.447 4.008 20 30 FIEDMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2)c2ccccc12 ZINC000032586433 568392594 /nfs/dbraw/zinc/39/25/94/568392594.db2.gz KJWRUYDGHJVUKB-UHFFFAOYSA-N -1 1 366.442 4.299 20 30 FIEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(-c3ccccn3)cc2)ccc1Cl ZINC000569655764 568416282 /nfs/dbraw/zinc/41/62/82/568416282.db2.gz BKFHCFAMFBEXPD-UHFFFAOYSA-N -1 1 369.833 4.074 20 30 FIEDMM O=C([N-]c1nnc(SCc2ccccc2)s1)c1noc2c1CCCC2 ZINC000050028345 568663627 /nfs/dbraw/zinc/66/36/27/568663627.db2.gz XUXBMDKRQFXHSS-UHFFFAOYSA-N -1 1 372.475 4.334 20 30 FIEDMM N#CCCSc1ccccc1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000610194345 1079902592 /nfs/dbraw/zinc/90/25/92/1079902592.db2.gz URBUZXOUGBBYKT-UHFFFAOYSA-N -1 1 369.471 4.041 20 30 FIEDMM COc1ccc([C@H]([N-]C(=O)CC(F)(F)C(F)(F)F)C(F)(F)F)cc1 ZINC001266548033 1081462007 /nfs/dbraw/zinc/46/20/07/1081462007.db2.gz NXCCSWPLJBICDS-JTQLQIEISA-N -1 1 365.220 4.003 20 30 FIEDMM Cc1noc(C(F)F)c1C(=O)[N-]c1sc2c(c1C#N)CCCCC2 ZINC000610432208 1081868411 /nfs/dbraw/zinc/86/84/11/1081868411.db2.gz VBWCHMXTORRGRU-UHFFFAOYSA-N -1 1 351.378 4.375 20 30 FIEDMM N#C[C@H]([N-]C(=O)C(F)(F)c1cccc(Br)c1)C1CCCCC1 ZINC001266809223 1082844118 /nfs/dbraw/zinc/84/41/18/1082844118.db2.gz LFQLJXYYRBEZSL-AWEZNQCLSA-N -1 1 371.225 4.130 20 30 FIEDMM O=S(=O)([N-]c1cc(F)cc(F)c1F)c1ccc(C(F)(F)F)cc1F ZINC000431162692 1083361227 /nfs/dbraw/zinc/36/12/27/1083361227.db2.gz UQFLURDIGPDFRQ-UHFFFAOYSA-N -1 1 373.249 4.063 20 30 FIEDMM COCCn1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c2ccccc21 ZINC000647377515 1083373410 /nfs/dbraw/zinc/37/34/10/1083373410.db2.gz QSPUCXXJJXEKMT-HNNXBMFYSA-N -1 1 365.458 4.112 20 30 FIEDMM N#CC(=C([O-])c1ccn(-c2ccccc2F)n1)c1ccc2ccccc2n1 ZINC000613292812 1084555134 /nfs/dbraw/zinc/55/51/34/1084555134.db2.gz XSRHPTGTQXCAFA-OAHLLOKOSA-N -1 1 356.360 4.050 20 30 FIEDMM COc1ccc(/C=C2/CCc3cc([O-])ccc3C2=O)cc1Br ZINC000207932992 1084686412 /nfs/dbraw/zinc/68/64/12/1084686412.db2.gz VKGSWTAPMFTWLT-JYRVWZFOSA-N -1 1 359.219 4.376 20 30 FIEDMM N#Cc1cc(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])ccc1F ZINC001143519114 1085903310 /nfs/dbraw/zinc/90/33/10/1085903310.db2.gz VYVDOBQDGXXKLG-UHFFFAOYSA-N -1 1 360.388 4.440 20 30 FIEDMM Cc1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c(C)n1CC(F)(F)F ZINC000647376686 1087798969 /nfs/dbraw/zinc/79/89/69/1087798969.db2.gz XGDUYOIVBNDWTD-CYBMUJFWSA-N -1 1 367.396 4.491 20 30 FIEDMM C=CCC1(c2nc(-c3cc(Cl)c([O-])c(OCC)c3)no2)CCOCC1 ZINC000424362076 1087946587 /nfs/dbraw/zinc/94/65/87/1087946587.db2.gz WHGIKQJQIRGAJA-UHFFFAOYSA-N -1 1 364.829 4.119 20 30 FIEDMM CCOc1cc(C(=O)Nc2cc(C#N)ccc2OC(C)C)cc(Cl)c1[O-] ZINC000186684590 1087971305 /nfs/dbraw/zinc/97/13/05/1087971305.db2.gz JVSAIPQFEHUONF-UHFFFAOYSA-N -1 1 374.824 4.355 20 30 FIEDMM O=C1c2ccc([O-])cc2C/C1=C\c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000588535101 1088773581 /nfs/dbraw/zinc/77/35/81/1088773581.db2.gz JKYGNJDWFBHGOC-AWNIVKPZSA-N -1 1 363.394 4.067 20 30 FIEDMM Cc1nc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])sc1SCC#N ZINC000180406961 1088776783 /nfs/dbraw/zinc/77/67/83/1088776783.db2.gz BITDZCQGWDIFLR-UHFFFAOYSA-N -1 1 373.381 4.044 20 30 FIEDMM N#Cc1cccc(COc2cccc(NC(=O)c3ccc([O-])cc3F)c2)c1 ZINC000181133440 1088780461 /nfs/dbraw/zinc/78/04/61/1088780461.db2.gz ROROCNQPLKOCSG-UHFFFAOYSA-N -1 1 362.360 4.234 20 30 FIEDMM CCOc1cc(C(=O)N[C@](C)(C#N)C2CCCCC2)cc(Cl)c1[O-] ZINC000515038443 1089732568 /nfs/dbraw/zinc/73/25/68/1089732568.db2.gz KDFMBVNTZJYCON-GOSISDBHSA-N -1 1 350.846 4.037 20 30 FIEDMM C=CCC(C)(C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000432007801 1091543968 /nfs/dbraw/zinc/54/39/68/1091543968.db2.gz RWAXXJFGVIBMFV-UHFFFAOYSA-N -1 1 358.463 4.028 20 30 FIEDMM C=CCOc1cccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000511741064 1091586409 /nfs/dbraw/zinc/58/64/09/1091586409.db2.gz VOCBBODGHLSWLZ-UHFFFAOYSA-N -1 1 357.353 4.071 20 30 FIEDMM Cc1csc(C(C#N)=C([O-])c2cccc(C(=O)N(C)CC(C)(C)C)c2)n1 ZINC000442600434 1092693176 /nfs/dbraw/zinc/69/31/76/1092693176.db2.gz OPNCQBYCDOYSKC-MRXNPFEDSA-N -1 1 369.490 4.060 20 30 FIEDMM N#Cc1ccc(C(=O)N[C@@H]2CCOc3c(-c4ccccc4)cccc32)cc1[O-] ZINC000442941089 1092876054 /nfs/dbraw/zinc/87/60/54/1092876054.db2.gz DQVUSMOMFYFSGI-HXUWFJFHSA-N -1 1 370.408 4.184 20 30 FIEDMM N#Cc1ccc(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)cc1[O-] ZINC000443120460 1092953391 /nfs/dbraw/zinc/95/33/91/1092953391.db2.gz OPVWDLKTQPXHLA-QGZVFWFLSA-N -1 1 360.335 4.164 20 30 FIEDMM Cc1sc(NC(=O)c2cc([O-])cc(C#N)c2)nc1-c1ccc(F)cc1 ZINC000614294221 1093355307 /nfs/dbraw/zinc/35/53/07/1093355307.db2.gz YFHVKSLABIZNFH-UHFFFAOYSA-N -1 1 353.378 4.087 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(SCc3cccnc3)cc2)c1 ZINC000614293369 1093357302 /nfs/dbraw/zinc/35/73/02/1093357302.db2.gz BRTOIHIZUDKTMX-UHFFFAOYSA-N -1 1 361.426 4.203 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)c1 ZINC000614361654 1093763076 /nfs/dbraw/zinc/76/30/76/1093763076.db2.gz LRSNXGVPFLIKBY-UHFFFAOYSA-N -1 1 360.335 4.087 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)c1 ZINC000614370540 1093771823 /nfs/dbraw/zinc/77/18/23/1093771823.db2.gz UQLVGMLYNRRUHC-UHFFFAOYSA-N -1 1 365.776 4.357 20 30 FIEDMM CCCn1ccc2cc([N-]S(=O)(=O)c3cc(C#N)ccc3C)ccc21 ZINC000513407424 1094105595 /nfs/dbraw/zinc/10/55/95/1094105595.db2.gz DNEZSGNKLKZDKD-UHFFFAOYSA-N -1 1 353.447 4.032 20 30 FIEDMM Cc1nc(C(F)(F)F)ccc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000515584828 1098729983 /nfs/dbraw/zinc/72/99/83/1098729983.db2.gz FMAWLNDADQVMOF-NSHDSACASA-N -1 1 373.256 4.313 20 30 FIEDMM C=CCSc1ccccc1NC(=O)CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000436245599 1098850681 /nfs/dbraw/zinc/85/06/81/1098850681.db2.gz VUKBUSBQGOAGLI-UHFFFAOYSA-N -1 1 373.503 4.069 20 30 FIEDMM N#C[C@@H](NC(=O)c1ccc(Cl)cc1[O-])c1cccc(C(F)(F)F)c1 ZINC000436615323 1099150368 /nfs/dbraw/zinc/15/03/68/1099150368.db2.gz FOUCWEAOKFVWFG-CYBMUJFWSA-N -1 1 354.715 4.059 20 30 FIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(C#N)cc3)n2)cc1 ZINC000516269910 1099334204 /nfs/dbraw/zinc/33/42/04/1099334204.db2.gz DFWYSWVGFYXZAY-KRWDZBQOSA-N -1 1 359.410 4.180 20 30 FIEDMM N#Cc1cc(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)ccc1Cl ZINC000438781046 1100914344 /nfs/dbraw/zinc/91/43/44/1100914344.db2.gz UDOQDSWWODPWCE-UHFFFAOYSA-N -1 1 374.771 4.117 20 30 FIEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2)cc1 ZINC000475807458 1101920303 /nfs/dbraw/zinc/92/03/03/1101920303.db2.gz IPPJNSSXKAVBNF-UHFFFAOYSA-N -1 1 364.426 4.346 20 30 FIEDMM Cc1ccc(-c2ccc(C)c([N-]S(=O)(=O)c3ccccc3CC#N)c2)o1 ZINC000475825177 1101979383 /nfs/dbraw/zinc/97/93/83/1101979383.db2.gz AGXNYXFKYCZAHO-UHFFFAOYSA-N -1 1 366.442 4.430 20 30 FIEDMM C[C@H]1CCc2c(C#N)c([N-]C(=O)c3cc(-c4ccccn4)no3)sc2C1 ZINC000610471535 1102059251 /nfs/dbraw/zinc/05/92/51/1102059251.db2.gz DRRSZYBHAOVJJE-NSHDSACASA-N -1 1 364.430 4.047 20 30 FIEDMM C=C(C)CCc1noc(-c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)n1 ZINC000508660030 1102308637 /nfs/dbraw/zinc/30/86/37/1102308637.db2.gz GCHQPJYIONMHPA-UHFFFAOYSA-N -1 1 369.446 4.046 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc3[nH]c(-c4ccccc4)nc3c2)c1 ZINC000617419190 1102780948 /nfs/dbraw/zinc/78/09/48/1102780948.db2.gz SOZOFLMDFWKRNP-UHFFFAOYSA-N -1 1 354.369 4.059 20 30 FIEDMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cc(C(C)C)nn3C)n2)cc1 ZINC000473927509 1104397649 /nfs/dbraw/zinc/39/76/49/1104397649.db2.gz JPEBSAJKHZLCII-OAHLLOKOSA-N -1 1 364.474 4.466 20 30 FIEDMM CCC(CC)[C@@H]1C[C@@H](NC(=O)c2cc(Cl)c([O-])c(OC)c2)CCO1 ZINC000331274392 1104709813 /nfs/dbraw/zinc/70/98/13/1104709813.db2.gz NGGZMFHUCPZUNR-ZFWWWQNUSA-N -1 1 355.862 4.343 20 30 FIEDMM CCOc1cc(C(=O)NC[C@]2(O)CCCC(C)(C)C2)cc(Cl)c1[O-] ZINC000331251020 1104711839 /nfs/dbraw/zinc/71/18/39/1104711839.db2.gz OZBDNYRJSRQVHF-SFHVURJKSA-N -1 1 355.862 4.080 20 30 FIEDMM CCSCc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000610193581 1108824678 /nfs/dbraw/zinc/82/46/78/1108824678.db2.gz CAXYVXBGZVOJDD-UHFFFAOYSA-N -1 1 366.895 4.266 20 30 FIEDMM N#C[C@@H](C(=O)[C@@H]1CCCC12CC2)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000528911707 1110148308 /nfs/dbraw/zinc/14/83/08/1110148308.db2.gz DDYDMMPXZMWHNJ-STQMWFEESA-N -1 1 367.474 4.032 20 30 FIEDMM Cc1cc(C(C#N)=C([O-])c2cc3c(s2)-c2ccccc2CC3)nc(C)n1 ZINC000041574860 1111723682 /nfs/dbraw/zinc/72/36/82/1111723682.db2.gz HRRMMCTZHCGMCR-KRWDZBQOSA-N -1 1 359.454 4.411 20 30 FIEDMM CCc1c(C([O-])=C(C#N)c2nc3ccccc3n2C)cnn1C(CC)CC ZINC000482572217 1113300743 /nfs/dbraw/zinc/30/07/43/1113300743.db2.gz BDTZUPAUDJCAQZ-HNNXBMFYSA-N -1 1 363.465 4.183 20 30 FIEDMM N#Cc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)cc1 ZINC000488232960 1113882594 /nfs/dbraw/zinc/88/25/94/1113882594.db2.gz QCJFILNJKIZVQY-UHFFFAOYSA-N -1 1 360.744 4.031 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)N(CC2CC2)c2cccc(C(F)(F)F)c2)c1 ZINC000589967473 1114869055 /nfs/dbraw/zinc/86/90/55/1114869055.db2.gz YKCGVDKBAKOMDG-UHFFFAOYSA-N -1 1 360.335 4.339 20 30 FIEDMM CCCc1ncc(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)s1 ZINC000173970461 1116102300 /nfs/dbraw/zinc/10/23/00/1116102300.db2.gz GHHXXQBHEKOHSG-HNNXBMFYSA-N -1 1 363.442 4.210 20 30 FIEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(-c4ccccn4)c3C)nc1-2 ZINC000534379337 1116193594 /nfs/dbraw/zinc/19/35/94/1116193594.db2.gz GDLNHHZHLAIRGT-KRWDZBQOSA-N -1 1 367.412 4.127 20 30 FIEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(SC3CC3)cc2)n1 ZINC000542130767 1118799742 /nfs/dbraw/zinc/79/97/42/1118799742.db2.gz PTJCKGQMXSWAQB-AWEZNQCLSA-N -1 1 372.471 4.064 20 30 FIEDMM CC(=O)[N-][C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000542171954 1118825251 /nfs/dbraw/zinc/82/52/51/1118825251.db2.gz NHMCJIURBFDVSJ-VIFPVBQESA-N -1 1 353.184 4.464 20 30 FIEDMM Cc1c(Br)scc1C([O-])=C(C#N)c1nc2ccccc2[nH]1 ZINC000186987597 1119759883 /nfs/dbraw/zinc/75/98/83/1119759883.db2.gz VYEAIIZTQYSBFQ-VIFPVBQESA-N -1 1 360.236 4.185 20 30 FIEDMM C=CCC1(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CCC1 ZINC000191619784 1119987305 /nfs/dbraw/zinc/98/73/05/1119987305.db2.gz MVEPDTVGKOHSGT-UHFFFAOYSA-N -1 1 370.474 4.172 20 30 FIEDMM CCC(N=Nc1ccc(C(=O)[O-])cn1)c1cc(Cl)cc(Cl)c1O ZINC000763368511 1121481178 /nfs/dbraw/zinc/48/11/78/1121481178.db2.gz NHNMDHDYAIOBHA-UHFFFAOYSA-N -1 1 354.193 4.018 20 30 FIEDMM S=c1[n-]nc(SCc2ccccc2)n1N=Cc1ccc(Cl)cc1 ZINC000916368320 1121482304 /nfs/dbraw/zinc/48/23/04/1121482304.db2.gz BQOPWVOKLOBFES-UHFFFAOYSA-N -1 1 360.895 4.395 20 30 FIEDMM Cc1cc(Oc2ccccc2)ccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000609447292 1123716325 /nfs/dbraw/zinc/71/63/25/1123716325.db2.gz ILVLNVZUNRXMCX-UHFFFAOYSA-N -1 1 364.426 4.460 20 30 FIEDMM Cc1cc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)o1 ZINC000175111302 1123739593 /nfs/dbraw/zinc/73/95/93/1123739593.db2.gz LEVOCWLODGEJGA-LLVKDONJSA-N -1 1 351.189 4.164 20 30 FIEDMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)cc3C)c2)cs1 ZINC000610123140 1123947233 /nfs/dbraw/zinc/94/72/33/1123947233.db2.gz IYIDAKFISMTVIN-UHFFFAOYSA-N -1 1 369.471 4.099 20 30 FIEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)sc3c2)c1 ZINC000619462402 1125595945 /nfs/dbraw/zinc/59/59/45/1125595945.db2.gz PPSDOXJDWTUCGD-UHFFFAOYSA-N -1 1 369.471 4.041 20 30 FIEDMM Cc1c(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cnn1CC(C)C ZINC000179424026 1080175255 /nfs/dbraw/zinc/17/52/55/1080175255.db2.gz FGUIHIVPHZIEBL-ZDUSSCGKSA-N -1 1 371.391 4.082 20 30 FIEDMM C=CCn1c(-c2sc(NC(=O)C3(CC)CCC3)nc2C)n[n-]c1=S ZINC000175928124 1081832953 /nfs/dbraw/zinc/83/29/53/1081832953.db2.gz BHFZLUUTCOMEFO-UHFFFAOYSA-N -1 1 363.512 4.077 20 30 FIEDMM Cc1noc(C(F)F)c1C(=O)[N-]c1ccccc1SC[C@@H](C)C#N ZINC000610431417 1081859896 /nfs/dbraw/zinc/85/98/96/1081859896.db2.gz MDLXKNDELUOJFT-VIFPVBQESA-N -1 1 351.378 4.425 20 30 FIEDMM N#CCc1ccc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)cc1 ZINC000064937827 1081968386 /nfs/dbraw/zinc/96/83/86/1081968386.db2.gz OOPRAKHIFHKECU-UHFFFAOYSA-N -1 1 372.393 4.165 20 30 FIEDMM CCOCCOc1ccccc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430623377 1082741575 /nfs/dbraw/zinc/74/15/75/1082741575.db2.gz NEHNBGISYCZBBS-HNNXBMFYSA-N -1 1 372.490 4.346 20 30 FIEDMM N#Cc1ccc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)nc1 ZINC000179935628 1083913452 /nfs/dbraw/zinc/91/34/52/1083913452.db2.gz ZCLSCSNPJXLUIT-UHFFFAOYSA-N -1 1 372.409 4.188 20 30 FIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(F)cc3)n2)cc1 ZINC000066544130 1084642792 /nfs/dbraw/zinc/64/27/92/1084642792.db2.gz CARYKXJDEZKUJO-INIZCTEOSA-N -1 1 352.390 4.448 20 30 FIEDMM CCCCCCCC(=O)Nc1nc(C)c(-c2n[n-]c(=S)n2C)s1 ZINC000120088283 1085007627 /nfs/dbraw/zinc/00/76/27/1085007627.db2.gz NEJVZMOOGWOWGZ-UHFFFAOYSA-N -1 1 353.517 4.209 20 30 FIEDMM COc1sc(/C=C2\Cc3cc([O-])ccc3C2=O)cc1Br ZINC000588535075 1085268522 /nfs/dbraw/zinc/26/85/22/1085268522.db2.gz HGSZHXMOFPTIPQ-RMKNXTFCSA-N -1 1 351.221 4.047 20 30 FIEDMM O=C1c2cc(Br)ccc2OCC/C1=C\c1ccc([O-])c(F)c1 ZINC000755587236 1087432288 /nfs/dbraw/zinc/43/22/88/1087432288.db2.gz QGEPMCPXFJCVNG-YRNVUSSQSA-N -1 1 363.182 4.343 20 30 FIEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccccc2C(C)(C)C)n1 ZINC000434427535 1088594916 /nfs/dbraw/zinc/59/49/16/1088594916.db2.gz BZUSQFWXBTULBF-CYBMUJFWSA-N -1 1 356.447 4.107 20 30 FIEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(COC(C)(C)C)c2C)ccc1C#N ZINC000435720582 1089907738 /nfs/dbraw/zinc/90/77/38/1089907738.db2.gz YWAULZZTIUVBCK-UHFFFAOYSA-N -1 1 372.490 4.291 20 30 FIEDMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)c2)cs1 ZINC000435746834 1089921613 /nfs/dbraw/zinc/92/16/13/1089921613.db2.gz BAUUFFYZNULADR-UHFFFAOYSA-N -1 1 369.471 4.099 20 30 FIEDMM C[C@@H]1CCCc2ncc(C([O-])=C(C#N)c3nc4cc(F)ccc4s3)n21 ZINC000651297199 1090119303 /nfs/dbraw/zinc/11/93/03/1090119303.db2.gz CBWZPHVNQKDCBU-PWSUYJOCSA-N -1 1 354.410 4.019 20 30 FIEDMM N#CC(=C([O-])c1ccc2c(c1)COC2)c1nc2cc(Cl)ccc2s1 ZINC000064792065 1092730098 /nfs/dbraw/zinc/73/00/98/1092730098.db2.gz AWHOATYTSOJWCI-AWEZNQCLSA-N -1 1 354.818 4.470 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)c1 ZINC000614293384 1093356975 /nfs/dbraw/zinc/35/69/75/1093356975.db2.gz DDEYACAQVLZDEU-UHFFFAOYSA-N -1 1 361.382 4.386 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@H]2c2cccc(Br)c2)c1 ZINC000614714458 1093571155 /nfs/dbraw/zinc/57/11/55/1093571155.db2.gz GGZXDIYBTBTAMW-KRWDZBQOSA-N -1 1 371.234 4.004 20 30 FIEDMM Cc1csc(C(C#N)=C([O-])c2cccc(COc3ccc(C)nc3)c2)n1 ZINC000114617287 1093660084 /nfs/dbraw/zinc/66/00/84/1093660084.db2.gz ZSAJMSYOMUDTAX-GOSISDBHSA-N -1 1 363.442 4.224 20 30 FIEDMM Nc1ccc(F)c(Nc2cccc(C([O-])(C(F)(F)F)C(F)(F)F)c2)c1 ZINC001211839564 1094370367 /nfs/dbraw/zinc/37/03/67/1094370367.db2.gz HTSNILSCSCGVIS-UHFFFAOYSA-N -1 1 368.252 4.464 20 30 FIEDMM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc2ccccc2cc1[O-] ZINC000436539893 1099104201 /nfs/dbraw/zinc/10/42/01/1099104201.db2.gz QALCQQOUWLWANI-UHFFFAOYSA-N -1 1 362.385 4.282 20 30 FIEDMM C=CCC(C)(C)c1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000436785223 1099315154 /nfs/dbraw/zinc/31/51/54/1099315154.db2.gz SSIPLDNYXWDAID-UHFFFAOYSA-N -1 1 353.216 4.067 20 30 FIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3cc(C)n(C)c3C)n2)cc1 ZINC000516713598 1099749012 /nfs/dbraw/zinc/74/90/12/1099749012.db2.gz AUVJSVYHQSSSLH-QGZVFWFLSA-N -1 1 365.458 4.264 20 30 FIEDMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)s1 ZINC000437921084 1100303173 /nfs/dbraw/zinc/30/31/73/1100303173.db2.gz OVZBNCQIONIHLL-UHFFFAOYSA-N -1 1 354.884 4.371 20 30 FIEDMM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1scnc1C1CC1 ZINC000127841505 1101388348 /nfs/dbraw/zinc/38/83/48/1101388348.db2.gz YEQRHBKQEMLRKG-HNNXBMFYSA-N -1 1 367.474 4.106 20 30 FIEDMM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2oc(C3CC3)nc2C)cc1 ZINC000760182463 1101580486 /nfs/dbraw/zinc/58/04/86/1101580486.db2.gz HJFSXRKETOOXPT-QGZVFWFLSA-N -1 1 365.433 4.164 20 30 FIEDMM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2oc(C3CC3)nc2C)cc1 ZINC000760185159 1101586966 /nfs/dbraw/zinc/58/69/66/1101586966.db2.gz YIAFOUQPPSGQJF-YVEFUNNKSA-N -1 1 365.433 4.335 20 30 FIEDMM C=C(C)CCc1noc(-c2cccc([N-]S(=O)(=O)c3ccccc3)c2)n1 ZINC000508643588 1101795501 /nfs/dbraw/zinc/79/55/01/1101795501.db2.gz LIQAMPGHDHULMW-UHFFFAOYSA-N -1 1 369.446 4.046 20 30 FIEDMM N#CC(=C([O-])C=Cc1cc(C(F)(F)F)ccc1Cl)c1ccncn1 ZINC000760353479 1101935324 /nfs/dbraw/zinc/93/53/24/1101935324.db2.gz PYKICWSWXRCMJI-GEIFVHNQSA-N -1 1 351.715 4.038 20 30 FIEDMM C=CCCCS(=O)(=O)[N-]c1ccc(-c2ccc(OC)c(Cl)c2)cn1 ZINC000427760924 1105274047 /nfs/dbraw/zinc/27/40/47/1105274047.db2.gz DOXWEWXSUFSGPI-UHFFFAOYSA-N -1 1 366.870 4.119 20 30 FIEDMM N#CCc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000451051834 1106909820 /nfs/dbraw/zinc/90/98/20/1106909820.db2.gz CVOFAOSUZIXHRB-UHFFFAOYSA-N -1 1 360.866 4.086 20 30 FIEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000531082384 1107514856 /nfs/dbraw/zinc/51/48/56/1107514856.db2.gz LGOPWXHUUYNHIG-UHFFFAOYSA-N -1 1 360.438 4.239 20 30 FIEDMM CC1(c2cccc(Cl)c2)CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000478457394 1111780858 /nfs/dbraw/zinc/78/08/58/1111780858.db2.gz JUZYCIUGVQYBNA-UHFFFAOYSA-N -1 1 354.837 4.111 20 30 FIEDMM COc1ccc(C([O-])=C(C#N)c2nc(C)cs2)c(OC2CCCC2)c1 ZINC000482565579 1113298484 /nfs/dbraw/zinc/29/84/84/1113298484.db2.gz OCKMQMQWIYDDSI-INIZCTEOSA-N -1 1 356.447 4.272 20 30 FIEDMM CCCC[C@@H](ON=C(C)C)C(=O)Nc1cccc([O-])c1Br ZINC000908708737 1113687338 /nfs/dbraw/zinc/68/73/38/1113687338.db2.gz CJQYYRLVZHIILO-CYBMUJFWSA-N -1 1 357.248 4.064 20 30 FIEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000488286811 1113899821 /nfs/dbraw/zinc/89/98/21/1113899821.db2.gz AAXUVZXBEVCEBU-UHFFFAOYSA-N -1 1 374.771 4.340 20 30 FIEDMM COc1ccc(/C=C/C(=O)c2cc(C)ccc2[O-])c(Br)c1O ZINC000761012528 1115299392 /nfs/dbraw/zinc/29/93/92/1115299392.db2.gz SDVCGUJTEIUFSY-QPJJXVBHSA-N -1 1 363.207 4.073 20 30 FIEDMM CC(C)(C)Nc1ccccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593213634 1115307156 /nfs/dbraw/zinc/30/71/56/1115307156.db2.gz QKZYLNVCXHZNEW-UHFFFAOYSA-N -1 1 371.506 4.499 20 30 FIEDMM Cc1ccc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1 ZINC000046707009 1115492753 /nfs/dbraw/zinc/49/27/53/1115492753.db2.gz INGXTQRZKQNRPA-CQSZACIVSA-N -1 1 363.442 4.074 20 30 FIEDMM CCOc1c(Cl)cc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1Cl ZINC000464529375 1118597515 /nfs/dbraw/zinc/59/75/15/1118597515.db2.gz PCVPGNGIRBVCTL-UHFFFAOYSA-N -1 1 371.245 4.065 20 30 FIEDMM N#Cc1ccc([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)c(F)c1 ZINC000493180032 1119332520 /nfs/dbraw/zinc/33/25/20/1119332520.db2.gz JFPBDRRYXOFUBQ-UHFFFAOYSA-N -1 1 360.797 4.305 20 30 FIEDMM CCn1cc(Br)cc1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000177773818 1119350338 /nfs/dbraw/zinc/35/03/38/1119350338.db2.gz WSHCRMCYRQNILP-NSHDSACASA-N -1 1 366.284 4.340 20 30 FIEDMM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(F)c(OC)c1 ZINC000191568516 1119984512 /nfs/dbraw/zinc/98/45/12/1119984512.db2.gz LNUIQWDXQDMMGH-UHFFFAOYSA-N -1 1 363.454 4.487 20 30 FIEDMM CCC[C@@H](C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3)C(C)C ZINC000153139118 1120028398 /nfs/dbraw/zinc/02/83/98/1120028398.db2.gz BPJXELIZWIIKPN-OCCSQVGLSA-N -1 1 371.506 4.112 20 30 FIEDMM C=CCn1c(-c2sc(NC(=O)CCC3CCC3)nc2C)n[n-]c1=S ZINC000176565761 1120379116 /nfs/dbraw/zinc/37/91/16/1120379116.db2.gz AHJCQGWTLAMLDH-UHFFFAOYSA-N -1 1 363.512 4.077 20 30 FIEDMM CC(=CC1=Cc2cc(Cl)cc(Cl)c2OC1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000193609407 1120981833 /nfs/dbraw/zinc/98/18/33/1120981833.db2.gz MIGMVHXXUYPFSM-OQFOIZHKSA-N -1 1 374.227 4.136 20 30 FIEDMM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000326495618 1121325185 /nfs/dbraw/zinc/32/51/85/1121325185.db2.gz YTNYFLGAYOYVPT-LBPRGKRZSA-N -1 1 364.854 4.190 20 30 FIEDMM N#Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)cc1[O-] ZINC000552866592 1121336463 /nfs/dbraw/zinc/33/64/63/1121336463.db2.gz HVGHQVZVNRVEJW-IAGOWNOFSA-N -1 1 374.362 4.349 20 30 FIEDMM Cc1cc([O-])cc2c1C(=O)/C(=C/c1ccc(OCc3ccncc3)cc1)O2 ZINC000915988776 1121368429 /nfs/dbraw/zinc/36/84/29/1121368429.db2.gz HDUPDTGBDMSIBP-JAIQZWGSSA-N -1 1 359.381 4.291 20 30 FIEDMM C=CC1CCN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)CC1 ZINC000111256698 1121958514 /nfs/dbraw/zinc/95/85/14/1121958514.db2.gz ODKSGUBXZLGDHF-UHFFFAOYSA-N -1 1 369.465 4.189 20 30 FIEDMM Cc1csc(C(C#N)=C([O-])c2cccc(OCc3ccccc3C#N)c2)n1 ZINC000066504232 1122068315 /nfs/dbraw/zinc/06/83/15/1122068315.db2.gz BWRLPYPTCAVRMO-LJQANCHMSA-N -1 1 373.437 4.392 20 30 FIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3cccc(OC)c3)n2)cc1 ZINC000066544031 1122072398 /nfs/dbraw/zinc/07/23/98/1122072398.db2.gz STWMDIXWAJBCTD-QGZVFWFLSA-N -1 1 364.426 4.317 20 30 FIEDMM Cc1ccc(C)c(OCCCCC(=O)Nc2n[n-]c(C(F)(F)F)n2)c1 ZINC000067840772 1122206527 /nfs/dbraw/zinc/20/65/27/1122206527.db2.gz HDSJAFSZEFVXTO-UHFFFAOYSA-N -1 1 356.348 4.278 20 30 FIEDMM N#Cc1ccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)c(Cl)c1 ZINC000225227647 1122219054 /nfs/dbraw/zinc/21/90/54/1122219054.db2.gz UQKMLAABNCPEGW-UHFFFAOYSA-N -1 1 367.666 4.381 20 30 FIEDMM Oc1ccc(Cl)cc1/C=N/C1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000917559942 1122353288 /nfs/dbraw/zinc/35/32/88/1122353288.db2.gz XLZJRDYGMUPNLT-FOKLQQMPSA-N -1 1 364.823 4.407 20 30 FIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(C#N)cc3C)n2)cc1 ZINC000129592118 1122644313 /nfs/dbraw/zinc/64/43/13/1122644313.db2.gz NJAZYNONFBOQCA-SFHVURJKSA-N -1 1 373.437 4.489 20 30 FIEDMM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000920101917 1123349841 /nfs/dbraw/zinc/34/98/41/1123349841.db2.gz MZOHHRLNWUVATL-MRXNPFEDSA-N -1 1 368.396 4.072 20 30 FIEDMM O=[N+]([O-])c1ccc([O-])c(/C=N\C[C@@H](c2ccccc2Cl)N2CCCC2)c1 ZINC000920944369 1123540492 /nfs/dbraw/zinc/54/04/92/1123540492.db2.gz CUVKVUGLWOALJO-UMUMUWHJSA-N -1 1 373.840 4.210 20 30 FIEDMM Cc1c(C(=O)/C=C\c2ccc([O-])c(Cl)c2)nnn1-c1ccc(C)cc1 ZINC000921270688 1123609895 /nfs/dbraw/zinc/60/98/95/1123609895.db2.gz XWAUASLJJVMTSZ-POHAHGRESA-N -1 1 353.809 4.139 20 30 FIEDMM COCCCOc1cccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1 ZINC000080452134 1123966297 /nfs/dbraw/zinc/96/62/97/1123966297.db2.gz LDRWKKXMNXCNQM-MRXNPFEDSA-N -1 1 358.463 4.172 20 30 FIEDMM Cc1cnn(-c2ccc(C([O-])=C(C#N)c3nc(C(C)C)cs3)cc2)c1 ZINC000080459751 1123966781 /nfs/dbraw/zinc/96/67/81/1123966781.db2.gz ONADWISXSDOMGR-INIZCTEOSA-N -1 1 350.447 4.251 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)Nc2cc(Cl)ccc2OCC2CCC2)c1 ZINC000615818359 1124132156 /nfs/dbraw/zinc/13/21/56/1124132156.db2.gz KHSXFBOJKNAUPH-UHFFFAOYSA-N -1 1 356.809 4.348 20 30 FIEDMM N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000153670506 1124226749 /nfs/dbraw/zinc/22/67/49/1124226749.db2.gz SQDVWRQLADKEFU-UHFFFAOYSA-N -1 1 368.776 4.342 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)c1 ZINC000618304570 1125137865 /nfs/dbraw/zinc/13/78/65/1125137865.db2.gz RRUVVMKVPXETME-CQSZACIVSA-N -1 1 372.705 4.090 20 30 FIEDMM CC(C=C(C)c1nc(C)c(C#N)c(=O)[n-]1)=Cc1ccccc1OC(F)F ZINC000568041572 567818983 /nfs/dbraw/zinc/81/89/83/567818983.db2.gz IZFNMEUAVXBEJK-FYDMFQIUSA-N -1 1 357.360 4.471 20 30 FIEDMM C[C@@H](C#N)CSc1ccccc1[N-]C(=O)c1coc(C(F)(F)F)n1 ZINC000602099002 567926449 /nfs/dbraw/zinc/92/64/49/567926449.db2.gz ZLVJZEHRQZMKTE-VIFPVBQESA-N -1 1 355.341 4.197 20 30 FIEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccnn2-c2ccccc2)s1 ZINC000430591977 1082535044 /nfs/dbraw/zinc/53/50/44/1082535044.db2.gz GSDVQIQLBYWGNQ-CQSZACIVSA-N -1 1 350.447 4.116 20 30 FIEDMM CC(C)(C)c1csc(C2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)n1 ZINC000188387466 1083537485 /nfs/dbraw/zinc/53/74/85/1083537485.db2.gz HGZIENFVMWKTED-UHFFFAOYSA-N -1 1 369.490 4.038 20 30 FIEDMM N#CC(=C([O-])c1cccc(-n2cccn2)c1)c1nc(-c2ccccc2)cs1 ZINC000117083869 1085422615 /nfs/dbraw/zinc/42/26/15/1085422615.db2.gz HMULQNHZCVRBFE-SFHVURJKSA-N -1 1 370.437 4.486 20 30 FIEDMM COc1ccc2nc(C([O-])=C(C#N)c3ccc4ccccc4n3)ccc2c1 ZINC000093243610 1085495203 /nfs/dbraw/zinc/49/52/03/1085495203.db2.gz QOUABSOIGJKESL-KRWDZBQOSA-N -1 1 353.381 4.282 20 30 FIEDMM CC(=O)c1ncc(C(=O)[N-]c2sc3c(c2C#N)[C@H](C)[C@H](C)CC3)s1 ZINC000415742121 1089885690 /nfs/dbraw/zinc/88/56/90/1089885690.db2.gz ZYGAJEQZFDHNFE-RKDXNWHRSA-N -1 1 359.476 4.217 20 30 FIEDMM Cc1cc(S(=O)(=O)[N-]c2ccc3oc(C(C)(C)C)nc3c2)ccc1C#N ZINC000435751028 1089913474 /nfs/dbraw/zinc/91/34/74/1089913474.db2.gz DOCBESQTFUERRA-UHFFFAOYSA-N -1 1 369.446 4.106 20 30 FIEDMM CCCCn1ncc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)c1C ZINC000435743158 1089920090 /nfs/dbraw/zinc/92/00/90/1089920090.db2.gz ZBTDBQXHWBNODV-CYBMUJFWSA-N -1 1 371.391 4.227 20 30 FIEDMM C[C@@H]1CCCc2ncc(C([O-])=C(C#N)c3nc(-c4ccccc4)cs3)n21 ZINC000651265689 1090078696 /nfs/dbraw/zinc/07/86/96/1090078696.db2.gz KQYLLGSSYQQECF-HIFRSBDPSA-N -1 1 362.458 4.394 20 30 FIEDMM Cc1cc(O[C@H](C)C(=O)Nc2n[n-]c(C(F)(F)F)n2)ccc1C(C)C ZINC000051266447 1090153649 /nfs/dbraw/zinc/15/36/49/1090153649.db2.gz ZRQYLDIDUFLTOB-SNVBAGLBSA-N -1 1 356.348 4.311 20 30 FIEDMM C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000051266437 1090153882 /nfs/dbraw/zinc/15/38/82/1090153882.db2.gz BMEDDRXFAMYQBP-VIFPVBQESA-N -1 1 356.348 4.177 20 30 FIEDMM C=CCC(C)(C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000431990316 1091523523 /nfs/dbraw/zinc/52/35/23/1091523523.db2.gz GYPSKNRYMKHTSP-UHFFFAOYSA-N -1 1 372.490 4.337 20 30 FIEDMM C=C[C@](C)(CC)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000442868009 1092814202 /nfs/dbraw/zinc/81/42/02/1092814202.db2.gz PMIMYFPHFVIZBM-HXUWFJFHSA-N -1 1 372.490 4.337 20 30 FIEDMM N#Cc1ccc(C(=O)N2CCc3ccccc3[C@@H]2c2ccccc2)cc1[O-] ZINC000442955234 1092872820 /nfs/dbraw/zinc/87/28/20/1092872820.db2.gz WHPPNAAGSSWLRH-QFIPXVFZSA-N -1 1 354.409 4.052 20 30 FIEDMM N#Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)cc1[O-] ZINC000443110968 1092945781 /nfs/dbraw/zinc/94/57/81/1092945781.db2.gz PLAMXPXVRUWPJM-DOTOQJQBSA-N -1 1 374.362 4.349 20 30 FIEDMM N#CC(=C([O-])c1ccc(C(F)(F)F)cn1)c1ccc(C(F)(F)F)cn1 ZINC000513198013 1094000253 /nfs/dbraw/zinc/00/02/53/1094000253.db2.gz XQGGEJAFODLIDE-JTQLQIEISA-N -1 1 359.229 4.004 20 30 FIEDMM CCCOc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1Cl ZINC000513369731 1094088635 /nfs/dbraw/zinc/08/86/35/1094088635.db2.gz FXRPWBQGGIIRKR-UHFFFAOYSA-N -1 1 364.854 4.110 20 30 FIEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccccc1Cc1ccccc1 ZINC000513409089 1094106517 /nfs/dbraw/zinc/10/65/17/1094106517.db2.gz SBBBCVDCNPXVGY-UHFFFAOYSA-N -1 1 362.454 4.258 20 30 FIEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc2nc(C3CC3)sc2c1 ZINC000513426661 1094117491 /nfs/dbraw/zinc/11/74/91/1094117491.db2.gz KNXLHMCBIQGNDM-UHFFFAOYSA-N -1 1 369.471 4.155 20 30 FIEDMM C[C@@H](C#N)CSc1ccccc1[N-]C(=O)c1nc2cccnc2s1 ZINC000513455235 1094132137 /nfs/dbraw/zinc/13/21/37/1094132137.db2.gz PCSSQGGLKFETSH-NSHDSACASA-N -1 1 354.460 4.195 20 30 FIEDMM C[C@H](CC#N)Sc1ccccc1[N-]C(=O)c1nc2cccnc2s1 ZINC000513447646 1094136296 /nfs/dbraw/zinc/13/62/96/1094136296.db2.gz GKBZFYQUKQNUBO-LLVKDONJSA-N -1 1 354.460 4.338 20 30 FIEDMM Cc1csc(C(C#N)=C([O-])c2cccc(OCc3csc(C)n3)c2)n1 ZINC000041517995 1094641547 /nfs/dbraw/zinc/64/15/47/1094641547.db2.gz UMAITFVAMXGTOX-MRXNPFEDSA-N -1 1 369.471 4.286 20 30 FIEDMM O=C([N-]c1nnc(C(F)(F)F)s1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000029283618 1095300309 /nfs/dbraw/zinc/30/03/09/1095300309.db2.gz ZITJLNJLMZZINH-UHFFFAOYSA-N -1 1 374.325 4.316 20 30 FIEDMM N#CC(=C([O-])c1ccc(Cl)c(F)c1)c1nc(-c2ccncc2)cs1 ZINC000162083263 1099622053 /nfs/dbraw/zinc/62/20/53/1099622053.db2.gz DNLOUWACPLQRDQ-LBPRGKRZSA-N -1 1 357.797 4.488 20 30 FIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3cc(C)n(C)c3C)n2)cc1 ZINC000516713597 1099749322 /nfs/dbraw/zinc/74/93/22/1099749322.db2.gz AUVJSVYHQSSSLH-KRWDZBQOSA-N -1 1 365.458 4.264 20 30 FIEDMM N#Cc1ccc(C(=O)N2CCC[C@H]2c2cccc(Br)c2)cc1[O-] ZINC000190781357 1101347109 /nfs/dbraw/zinc/34/71/09/1101347109.db2.gz XKURDAWPUMULNS-INIZCTEOSA-N -1 1 371.234 4.004 20 30 FIEDMM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2oc(C3CC3)nc2C)cc1 ZINC000760185157 1101586665 /nfs/dbraw/zinc/58/66/65/1101586665.db2.gz YIAFOUQPPSGQJF-SJCJKPOMSA-N -1 1 365.433 4.335 20 30 FIEDMM CCc1cccc2c(C3CCN(C(=O)c4ccc(C#N)c([O-])c4)CC3)c[nH]c21 ZINC000190918618 1101716888 /nfs/dbraw/zinc/71/68/88/1101716888.db2.gz GLWPARREJDODDL-UHFFFAOYSA-N -1 1 373.456 4.327 20 30 FIEDMM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccccc1COC ZINC000473779267 1102742466 /nfs/dbraw/zinc/74/24/66/1102742466.db2.gz YGNAVMYVPOBSLN-UHFFFAOYSA-N -1 1 359.491 4.486 20 30 FIEDMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cc(C(C)C)nn3C)n2)cc1 ZINC000473927508 1104397100 /nfs/dbraw/zinc/39/71/00/1104397100.db2.gz JPEBSAJKHZLCII-HNNXBMFYSA-N -1 1 364.474 4.466 20 30 FIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2NC2CCCCC2)cc1F ZINC000579426573 1104909324 /nfs/dbraw/zinc/90/93/24/1104909324.db2.gz HUMGRDWXDZWDCA-UHFFFAOYSA-N -1 1 373.453 4.243 20 30 FIEDMM C=CC(C)(C)c1nc(-c2cc(Br)c([O-])c(OCC)c2)no1 ZINC000453021138 1108088626 /nfs/dbraw/zinc/08/86/26/1108088626.db2.gz MNCWECANHMBIJT-UHFFFAOYSA-N -1 1 353.216 4.067 20 30 FIEDMM N#CCCSc1ccccc1[N-]C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000447468605 1109553094 /nfs/dbraw/zinc/55/30/94/1109553094.db2.gz GEHFLLCSPYTIIF-UHFFFAOYSA-N -1 1 374.425 4.471 20 30 FIEDMM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@]2(C#N)CCC[C@@H](C)C2)c1Cl ZINC000479160930 1111956168 /nfs/dbraw/zinc/95/61/68/1111956168.db2.gz SLAXFUORDXJFDR-MEBBXXQBSA-N -1 1 361.294 4.053 20 30 FIEDMM Cc1cc(Br)c([O-])c(NC(=O)C2(c3cccc(C#N)c3)CC2)c1 ZINC000482680179 1113332866 /nfs/dbraw/zinc/33/28/66/1113332866.db2.gz ZICIDKPJEUZJNB-UHFFFAOYSA-N -1 1 371.234 4.005 20 30 FIEDMM CCOc1cc(C(=O)N[C@H](C#N)c2ccc(CC)cc2)cc(Cl)c1[O-] ZINC000489958884 1114194080 /nfs/dbraw/zinc/19/40/80/1114194080.db2.gz SGBWIMNIZBJBFN-MRXNPFEDSA-N -1 1 358.825 4.001 20 30 FIEDMM CN(Cc1ccc(C#N)cc1)Cn1c(CCC2CCCC2)n[n-]c1=S ZINC000058205593 1115138754 /nfs/dbraw/zinc/13/87/54/1115138754.db2.gz HAOLHKOCRCLAGU-UHFFFAOYSA-N -1 1 355.511 4.025 20 30 FIEDMM Cn1c2ccccc2c2cc(S(=O)(=O)[N-]c3ccc(C#N)cc3)ccc21 ZINC000603831856 1115819367 /nfs/dbraw/zinc/81/93/67/1115819367.db2.gz RLPPGYXWDQNPBB-UHFFFAOYSA-N -1 1 361.426 4.004 20 30 FIEDMM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1csc(-c2ccoc2)n1 ZINC000171776760 1115874823 /nfs/dbraw/zinc/87/48/23/1115874823.db2.gz SCIGSJICNSJGCP-CYBMUJFWSA-N -1 1 371.805 4.018 20 30 FIEDMM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cnc(CCC)s2)cc1 ZINC000173969911 1116102328 /nfs/dbraw/zinc/10/23/28/1116102328.db2.gz QXIGFSIFRGDTOK-MRXNPFEDSA-N -1 1 369.490 4.399 20 30 FIEDMM N#Cc1ccccc1-c1ccccc1C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000608984980 1116140759 /nfs/dbraw/zinc/14/07/59/1116140759.db2.gz FYDDYPVYCILNMJ-UHFFFAOYSA-N -1 1 370.437 4.351 20 30 FIEDMM N#CC(=C([O-])c1cncc(C(F)(F)F)c1)c1cc(C(F)(F)F)ccn1 ZINC000464413577 1118547884 /nfs/dbraw/zinc/54/78/84/1118547884.db2.gz ZHQVDIXAMVVYPS-LLVKDONJSA-N -1 1 359.229 4.004 20 30 FIEDMM N#CC(=C([O-])c1cncc(C(F)(F)F)c1)c1cc(C(F)(F)F)ccn1 ZINC000464413583 1118547944 /nfs/dbraw/zinc/54/79/44/1118547944.db2.gz ZHQVDIXAMVVYPS-NSHDSACASA-N -1 1 359.229 4.004 20 30 FIEDMM CC(C)COc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1Cl ZINC000030532184 1119018160 /nfs/dbraw/zinc/01/81/60/1119018160.db2.gz PCXIPWRJRQTPKH-UHFFFAOYSA-N -1 1 364.854 4.047 20 30 FIEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc3c(c2)NC(=O)[C@H](C)S3)n1 ZINC000177751133 1119349715 /nfs/dbraw/zinc/34/97/15/1119349715.db2.gz JBOMVXPAFMHVCB-JQWIXIFHSA-N -1 1 371.487 4.189 20 30 FIEDMM Cc1ccc(-c2nc(C(=O)[N-]c3nnc(C(F)(F)F)s3)cs2)o1 ZINC000031286029 1119446016 /nfs/dbraw/zinc/44/60/16/1119446016.db2.gz GLPBYXAHOJSOTE-UHFFFAOYSA-N -1 1 360.342 4.218 20 30 FIEDMM O=[N+]([O-])c1cc(C=NNc2nc(Cl)c(Cl)cc2Cl)ccc1[O-] ZINC000916318342 1121472342 /nfs/dbraw/zinc/47/23/42/1121472342.db2.gz PUALNAFYBCZMQX-UHFFFAOYSA-N -1 1 361.572 4.102 20 30 FIEDMM N#CC(=C([O-])C1=Cc2ccccc2OC1)c1nc2ccccc2n1C(F)F ZINC000917039858 1122012696 /nfs/dbraw/zinc/01/26/96/1122012696.db2.gz FXBGGIVKHHRVGT-AWEZNQCLSA-N -1 1 365.339 4.084 20 30 FIEDMM O=C(/C=C/C1=Cc2cc(Br)ccc2OC1)c1ccc([O-])cc1 ZINC000917400343 1122289566 /nfs/dbraw/zinc/28/95/66/1122289566.db2.gz TXQDLJIHUWWEIN-LREOWRDNSA-N -1 1 357.203 4.370 20 30 FIEDMM Cc1c(C(=O)/C=C/c2ccc([O-])c(Cl)c2)nnn1-c1ccc(C)cc1 ZINC000921270689 1123610065 /nfs/dbraw/zinc/61/00/65/1123610065.db2.gz XWAUASLJJVMTSZ-UXBLZVDNSA-N -1 1 353.809 4.139 20 30 FIEDMM C=C[C@](C)(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000135514753 1123769246 /nfs/dbraw/zinc/76/92/46/1123769246.db2.gz TZDQAJIGIYICTQ-LJQANCHMSA-N -1 1 358.463 4.028 20 30 FIEDMM CC(C)c1csc(C(C#N)=C([O-])c2cncn2-c2ccc(F)cc2)n1 ZINC000080456608 1123966418 /nfs/dbraw/zinc/96/64/18/1123966418.db2.gz LENVEWPWNTZDAA-AWEZNQCLSA-N -1 1 354.410 4.081 20 30 FIEDMM N#Cc1ccc(OC2CCN(C(=O)c3ccc4ccccc4c3[O-])CC2)cc1 ZINC000436560438 567850183 /nfs/dbraw/zinc/85/01/83/567850183.db2.gz CXUMWLKJGALRMM-UHFFFAOYSA-N -1 1 372.424 4.101 20 30 FIEDMM CCC(C)(C)OCc1ccccc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619463762 1125595908 /nfs/dbraw/zinc/59/59/08/1125595908.db2.gz ZHWKOGHICAWASD-UHFFFAOYSA-N -1 1 372.490 4.259 20 30 FIEDMM N#CCCCOc1cccc([N-]S(=O)(=O)c2cccc3ccccc32)c1 ZINC000084460735 1083022074 /nfs/dbraw/zinc/02/20/74/1083022074.db2.gz XVGSFKIEEFOKSX-UHFFFAOYSA-N -1 1 366.442 4.323 20 30 FIEDMM O=C1c2ccc([O-])cc2C/C1=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000588534981 1085267505 /nfs/dbraw/zinc/26/75/05/1085267505.db2.gz HEKVHVOQSFYKAR-NTUHNPAUSA-N -1 1 364.382 4.246 20 30 FIEDMM CCCCOc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000511279563 1087552110 /nfs/dbraw/zinc/55/21/10/1087552110.db2.gz JAGOZHSHICFRHQ-UHFFFAOYSA-N -1 1 364.854 4.191 20 30 FIEDMM N#CC(=C([O-])c1cccc(OC[C@H]2CCCO2)c1)c1nc(C2CC2)cs1 ZINC000647376816 1087797993 /nfs/dbraw/zinc/79/79/93/1087797993.db2.gz ZVWIODPIFNTRNC-IAGOWNOFSA-N -1 1 368.458 4.068 20 30 FIEDMM N#Cc1csc(C(=O)[N-]c2nnc(SCc3cccs3)s2)c1 ZINC000176278262 1087911403 /nfs/dbraw/zinc/91/14/03/1087911403.db2.gz RKAMVRMJLHZQMQ-UHFFFAOYSA-N -1 1 364.502 4.077 20 30 FIEDMM Cc1cc(Br)c([O-])c(NC(=O)C2(c3ccc(C#N)cc3)CC2)c1 ZINC000189028900 1088391530 /nfs/dbraw/zinc/39/15/30/1088391530.db2.gz IQFXCLICTKIACK-UHFFFAOYSA-N -1 1 371.234 4.005 20 30 FIEDMM Cc1cc(C#N)ccc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000178551939 1088637019 /nfs/dbraw/zinc/63/70/19/1088637019.db2.gz YXSHFTPUWLNUGD-AWEZNQCLSA-N -1 1 350.328 4.102 20 30 FIEDMM N#CCc1ccc([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)cc1 ZINC000514529977 1089185885 /nfs/dbraw/zinc/18/58/85/1089185885.db2.gz NCGBGYCZFODRBU-UHFFFAOYSA-N -1 1 362.410 4.453 20 30 FIEDMM C[C@H]1CCCc2ncc(C([O-])=C(C#N)c3nc(-c4ccccc4)cs3)n21 ZINC000651265688 1090079556 /nfs/dbraw/zinc/07/95/56/1090079556.db2.gz KQYLLGSSYQQECF-DZGCQCFKSA-N -1 1 362.458 4.394 20 30 FIEDMM Cc1nc(-c2ccc(N[C@@H]3CCCc4cc(C#N)ccc43)nc2)[n-]c(=O)c1C ZINC000419020637 1092450555 /nfs/dbraw/zinc/45/05/55/1092450555.db2.gz XAIKMHDEYAGRCI-LJQANCHMSA-N -1 1 371.444 4.222 20 30 FIEDMM COc1ccc([C@H]2CCCCCN2C(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000442892074 1092845818 /nfs/dbraw/zinc/84/58/18/1092845818.db2.gz DJTWMMMRNJFQBF-LJQANCHMSA-N -1 1 350.418 4.030 20 30 FIEDMM N#Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1[O-] ZINC000443115886 1092951166 /nfs/dbraw/zinc/95/11/66/1092951166.db2.gz AKCQPVZFDZYGHK-DLBZAZTESA-N -1 1 374.362 4.349 20 30 FIEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)[C@H](C)c1ccccc1C(F)(F)F ZINC000443126317 1092955284 /nfs/dbraw/zinc/95/52/84/1092955284.db2.gz ARSIKQCLJAEROV-NWDGAFQWSA-N -1 1 362.351 4.205 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)N(Cc2cccs2)Cc2cccs2)c1 ZINC000614292873 1093347171 /nfs/dbraw/zinc/34/71/71/1093347171.db2.gz DMESSEWVULQJQS-UHFFFAOYSA-N -1 1 354.456 4.229 20 30 FIEDMM COc1ccc([C@@H]2CCCCCN2C(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000614357852 1093759175 /nfs/dbraw/zinc/75/91/75/1093759175.db2.gz RTMCCIXDSDSXCJ-FQEVSTJZSA-N -1 1 350.418 4.030 20 30 FIEDMM COc1cc(OC)cc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)c1 ZINC000041535677 1094647491 /nfs/dbraw/zinc/64/74/91/1094647491.db2.gz YLOUXCICRYDMEV-QGZVFWFLSA-N -1 1 364.426 4.317 20 30 FIEDMM CC(C)Oc1cccc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)n1 ZINC000179322290 1094789613 /nfs/dbraw/zinc/78/96/13/1094789613.db2.gz IXHUOQQSUNGDKA-GFCCVEGCSA-N -1 1 370.359 4.104 20 30 FIEDMM O=S(=O)([N-]c1ccc(F)c(F)c1F)c1ccc(C(F)(F)F)cc1F ZINC000436022102 1098649228 /nfs/dbraw/zinc/64/92/28/1098649228.db2.gz RCUYGVFFMFAWSA-UHFFFAOYSA-N -1 1 373.249 4.063 20 30 FIEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1C(F)(F)F ZINC000059772509 1102428035 /nfs/dbraw/zinc/42/80/35/1102428035.db2.gz GAAJUTHXIQMZKN-UHFFFAOYSA-N -1 1 374.771 4.340 20 30 FIEDMM C[C@@H]1[C@H](C(=O)[N-][C@H](c2ccccc2C(F)(F)F)C(F)(F)F)C1(F)F ZINC000461083529 1104083429 /nfs/dbraw/zinc/08/34/29/1104083429.db2.gz DZEJPHYXPLQSBZ-BDODKLCJSA-N -1 1 361.232 4.326 20 30 FIEDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1nc(CC(C)(C)C)cs1 ZINC000330687502 1104655033 /nfs/dbraw/zinc/65/50/33/1104655033.db2.gz WEXUBKMDYNBYFN-UHFFFAOYSA-N -1 1 362.499 4.470 20 30 FIEDMM CC(C)(C)[C@@H]1C[C@@H](NC(=O)c2ccc(Br)cc2[O-])CCO1 ZINC000331228300 1104707856 /nfs/dbraw/zinc/70/78/56/1104707856.db2.gz GGVYARVFYKGTIS-FZMZJTMJSA-N -1 1 356.260 4.053 20 30 FIEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000507985273 1105288332 /nfs/dbraw/zinc/28/83/32/1105288332.db2.gz NNPWQSSZBWSDDC-UHFFFAOYSA-N -1 1 363.442 4.068 20 30 FIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)cc1Cl ZINC000121284444 1106945563 /nfs/dbraw/zinc/94/55/63/1106945563.db2.gz KHDGKGAUCPLMBQ-UHFFFAOYSA-N -1 1 373.821 4.031 20 30 FIEDMM N#Cc1ccc(C(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)cc1[O-] ZINC000444761843 1108141851 /nfs/dbraw/zinc/14/18/51/1108141851.db2.gz PLIJEPXJFKBHBQ-CQSZACIVSA-N -1 1 372.705 4.090 20 30 FIEDMM Cc1ccc(-c2nc(C([O-])=C(C#N)c3nc4cccc(C)c4[nH]3)cs2)o1 ZINC000524034883 1108763474 /nfs/dbraw/zinc/76/34/74/1108763474.db2.gz CHINGBLBZKYZNX-GFCCVEGCSA-N -1 1 362.414 4.386 20 30 FIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)cc1Cl ZINC000525018083 1109233431 /nfs/dbraw/zinc/23/34/31/1109233431.db2.gz GXEGJFLLNVZTGI-UHFFFAOYSA-N -1 1 374.771 4.117 20 30 FIEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccccc1NC1CCCCC1 ZINC000527246549 1109721950 /nfs/dbraw/zinc/72/19/50/1109721950.db2.gz JHJSIANABZBMKI-UHFFFAOYSA-N -1 1 369.490 4.298 20 30 FIEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000462103195 1111494028 /nfs/dbraw/zinc/49/40/28/1111494028.db2.gz NIARTBZSDSRDPQ-UHFFFAOYSA-N -1 1 357.479 4.304 20 30 FIEDMM C=CCCCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000480697173 1112559319 /nfs/dbraw/zinc/55/93/19/1112559319.db2.gz YQJFSBMHNJXQQF-UHFFFAOYSA-N -1 1 358.463 4.091 20 30 FIEDMM CC(C)Oc1ccccc1C(F)(F)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372555 1113295994 /nfs/dbraw/zinc/29/59/94/1113295994.db2.gz GUFALWOUTMKCLP-UHFFFAOYSA-N -1 1 353.340 4.123 20 30 FIEDMM C=CCNC(=O)Nc1ccc(NC(=O)c2cc3ccccc3cc2[O-])cc1 ZINC000029201895 1114234041 /nfs/dbraw/zinc/23/40/41/1114234041.db2.gz QIEHMUXISPJBBA-UHFFFAOYSA-N -1 1 361.401 4.105 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)N2CCc3ccccc3[C@@H]2c2ccccc2)c1 ZINC000590513950 1114939172 /nfs/dbraw/zinc/93/91/72/1114939172.db2.gz QCMIFTGYXUXLLF-QFIPXVFZSA-N -1 1 354.409 4.052 20 30 FIEDMM COc1ccc(/C=C\C(=O)c2cc(C)ccc2[O-])c(Br)c1O ZINC000761012524 1115299330 /nfs/dbraw/zinc/29/93/30/1115299330.db2.gz SDVCGUJTEIUFSY-DAXSKMNVSA-N -1 1 363.207 4.073 20 30 FIEDMM CSc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593211617 1115307224 /nfs/dbraw/zinc/30/72/24/1115307224.db2.gz YUBWFFUCUNXKEC-UHFFFAOYSA-N -1 1 360.504 4.319 20 30 FIEDMM CC(C)(C#N)c1ccc(S(=O)(=O)[N-]c2ccccc2C(C)(F)F)cc1 ZINC000593216022 1115310267 /nfs/dbraw/zinc/31/02/67/1115310267.db2.gz PGWZRDTVXIUJER-UHFFFAOYSA-N -1 1 364.417 4.400 20 30 FIEDMM C[C@@H](CCNC(=O)c1ccc(C#N)c([O-])c1)c1cccc(C(F)(F)F)c1 ZINC000443281489 1117878039 /nfs/dbraw/zinc/87/80/39/1117878039.db2.gz FWVRXGHJMGQTGG-LBPRGKRZSA-N -1 1 362.351 4.206 20 30 FIEDMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000443398802 1118227970 /nfs/dbraw/zinc/22/79/70/1118227970.db2.gz KWILNGHKVXJGFF-UHFFFAOYSA-N -1 1 374.771 4.340 20 30 FIEDMM N#Cc1c([N-]C(=O)c2c(F)cc(C#N)cc2F)sc2c1CCCCC2 ZINC000152487739 1119336043 /nfs/dbraw/zinc/33/60/43/1119336043.db2.gz YNDVLEVOEBLWKZ-UHFFFAOYSA-N -1 1 357.385 4.291 20 30 FIEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc3c(c2)NC(=O)[C@@H](C)S3)n1 ZINC000177751097 1119349216 /nfs/dbraw/zinc/34/92/16/1119349216.db2.gz JBOMVXPAFMHVCB-ZYHUDNBSSA-N -1 1 371.487 4.189 20 30 FIEDMM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000191567953 1119984559 /nfs/dbraw/zinc/98/45/59/1119984559.db2.gz HWLXHXOWRZHIQO-UHFFFAOYSA-N -1 1 373.474 4.111 20 30 FIEDMM Cc1cccc(C2(Nc3cc(/C=N/[O-])cc(C(F)(F)F)c3)COC2)c1 ZINC001168475019 1120409021 /nfs/dbraw/zinc/40/90/21/1120409021.db2.gz VNPSKOZFJVBKSH-LSFURLLWSA-N -1 1 350.340 4.160 20 30 FIEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(Cl)s2)cc1Cl ZINC000193477175 1120923478 /nfs/dbraw/zinc/92/34/78/1120923478.db2.gz NOVUYGBUJINYJC-VIFPVBQESA-N -1 1 369.229 4.025 20 30 FIEDMM O=C(C1=NO[C@@H](c2ccccc2)C1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001649025840 1121260407 /nfs/dbraw/zinc/26/04/07/1121260407.db2.gz CXIJMUAGKXYWSP-MRXNPFEDSA-N -1 1 365.216 4.229 20 30 FIEDMM Cc1sc2ncnc(NN=C3CCCc4oc(C(=O)[O-])c(C)c43)c2c1C ZINC000915942524 1121355986 /nfs/dbraw/zinc/35/59/86/1121355986.db2.gz NTQVLEPNDHVBHE-UHFFFAOYSA-N -1 1 370.434 4.060 20 30 FIEDMM Cc1cc([O-])cc2c1C(=O)/C(=C/c1ccccc1OCc1cccnc1)O2 ZINC000915988737 1121368321 /nfs/dbraw/zinc/36/83/21/1121368321.db2.gz FICBIGYONVCVBO-JMIUGGIZSA-N -1 1 359.381 4.291 20 30 FIEDMM CSc1ccc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)cc1 ZINC000916368629 1121482567 /nfs/dbraw/zinc/48/25/67/1121482567.db2.gz KOFRZEJCCCUFBV-UHFFFAOYSA-N -1 1 372.544 4.463 20 30 FIEDMM CC(=NNc1ccc(C(=O)[O-])cn1)c1csc(-c2csc(C)n2)c1 ZINC000763371563 1121501820 /nfs/dbraw/zinc/50/18/20/1121501820.db2.gz DVDKRDMBTWIYGY-UHFFFAOYSA-N -1 1 358.448 4.109 20 30 FIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3cccc(CC#N)c3)n2)cc1 ZINC000066543535 1122072598 /nfs/dbraw/zinc/07/25/98/1122072598.db2.gz XRLHPJJXBJWDLI-GOSISDBHSA-N -1 1 373.437 4.375 20 30 FIEDMM C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000066814323 1122098662 /nfs/dbraw/zinc/09/86/62/1122098662.db2.gz CBYHZYDLJYZZEZ-AWEZNQCLSA-N -1 1 372.515 4.370 20 30 FIEDMM N#CCOc1cccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)c1 ZINC000917745532 1122424835 /nfs/dbraw/zinc/42/48/35/1122424835.db2.gz WFYDCQYNCOALHF-UHFFFAOYSA-N -1 1 370.474 4.437 20 30 FIEDMM CC(C)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C#N)cc2F)c1 ZINC000556304493 1122798862 /nfs/dbraw/zinc/79/88/62/1122798862.db2.gz ZAKZSADQEJQUNV-UHFFFAOYSA-N -1 1 352.818 4.275 20 30 FIEDMM [O-]c1c(Cl)cc(Cl)cc1/C=N\CC1(N2CCOCC2)CCCCC1 ZINC000920944204 1123540272 /nfs/dbraw/zinc/54/02/72/1123540272.db2.gz JIGTZXQZYPFQHH-MTJSOVHGSA-N -1 1 371.308 4.153 20 30 FIEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1ccc(OCC(F)(F)F)cc1)O2 ZINC000921270345 1123609940 /nfs/dbraw/zinc/60/99/40/1123609940.db2.gz UNGAMUPMSQJJQN-VIZOYTHASA-N -1 1 350.292 4.258 20 30 FIEDMM CCc1cccc(S(=O)(=O)[N-]c2ccccc2S[C@H](C)CC#N)c1 ZINC000080940091 1123977802 /nfs/dbraw/zinc/97/78/02/1123977802.db2.gz AYUGKGDLIJNPSS-CQSZACIVSA-N -1 1 360.504 4.444 20 30 FIEDMM C[C@H](C#N)CSc1ccccc1[N-]C(=O)c1cc(-c2ccco2)on1 ZINC000108324087 1124288325 /nfs/dbraw/zinc/28/83/25/1124288325.db2.gz ZGISMADOIXPIKK-GFCCVEGCSA-N -1 1 353.403 4.439 20 30 FIEDMM CC[C@@H](C)n1ncc(C([O-])=C(C#N)c2nc3ccccc3n2C)c1C1CC1 ZINC000089964395 1124972445 /nfs/dbraw/zinc/97/24/45/1124972445.db2.gz XABPWXQCQAAHQP-HIFRSBDPSA-N -1 1 361.449 4.108 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(N3CCCCC3)c3ncccc23)c1 ZINC000619421986 1125591093 /nfs/dbraw/zinc/59/10/93/1125591093.db2.gz QVNGFVDJGHRBBL-UHFFFAOYSA-N -1 1 372.428 4.055 20 30 FIEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccccc2-c2cccs2)c1 ZINC000619461562 1125596074 /nfs/dbraw/zinc/59/60/74/1125596074.db2.gz VZSKXVFCHQJABQ-UHFFFAOYSA-N -1 1 354.456 4.282 20 30 FIEDMM COCCCOc1cccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000430631020 1082768364 /nfs/dbraw/zinc/76/83/64/1082768364.db2.gz STQWQCWZRGMNEG-INIZCTEOSA-N -1 1 372.490 4.346 20 30 FIEDMM N#CC(=C([O-])c1cccc(OCC(F)(F)F)c1)c1nc(C2CC2)cs1 ZINC000647378268 1083367609 /nfs/dbraw/zinc/36/76/09/1083367609.db2.gz JLYBQHSGKGLOIQ-ZDUSSCGKSA-N -1 1 366.364 4.452 20 30 FIEDMM Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc([O-])c(F)c1 ZINC000613445749 1084749603 /nfs/dbraw/zinc/74/96/03/1084749603.db2.gz MMTZBSZWKASVTF-UHFFFAOYSA-N -1 1 363.348 4.151 20 30 FIEDMM O=C(NCC(F)(C(F)(F)F)C(F)(F)F)c1ccc2ccccc2c1[O-] ZINC001648929381 1085861555 /nfs/dbraw/zinc/86/15/55/1085861555.db2.gz KVBMNHSDLJDYHF-UHFFFAOYSA-N -1 1 369.236 4.108 20 30 FIEDMM Cc1cc(C#N)ccc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000178551928 1088637076 /nfs/dbraw/zinc/63/70/76/1088637076.db2.gz YXSHFTPUWLNUGD-CQSZACIVSA-N -1 1 350.328 4.102 20 30 FIEDMM CC1(C)CC(Nc2cc(/C=N/[O-])cc(C(F)(F)F)c2)CC(C)(C)N1O ZINC001167721246 1089729977 /nfs/dbraw/zinc/72/99/77/1089729977.db2.gz PYROVADPKVDQNY-UFFVCSGVSA-N -1 1 359.392 4.336 20 30 FIEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(CCC(F)(F)F)cc2)ccc1C#N ZINC000435725191 1089909877 /nfs/dbraw/zinc/90/98/77/1089909877.db2.gz ZWTANRGNUJVBDW-UHFFFAOYSA-N -1 1 368.380 4.162 20 30 FIEDMM N#Cc1ccc(C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1[O-] ZINC000190101911 1089981149 /nfs/dbraw/zinc/98/11/49/1089981149.db2.gz BPNHZLDUGMGRTM-UHFFFAOYSA-N -1 1 360.335 4.087 20 30 FIEDMM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)ccc1OC(C)C ZINC000584561771 1090232328 /nfs/dbraw/zinc/23/23/28/1090232328.db2.gz YPZRUDOEXNFIKI-UHFFFAOYSA-N -1 1 364.854 4.108 20 30 FIEDMM N#Cc1cccc(Oc2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc2)c1 ZINC000520926116 1092360241 /nfs/dbraw/zinc/36/02/41/1092360241.db2.gz NWTXKQSGHNFIQE-UHFFFAOYSA-N -1 1 368.389 4.290 20 30 FIEDMM Cc1sc(Br)c(C([O-])=C(C#N)c2cc(C)nc(C)n2)c1C ZINC000442138675 1092445599 /nfs/dbraw/zinc/44/55/99/1092445599.db2.gz QCUMDRHAFGYDDJ-LLVKDONJSA-N -1 1 364.268 4.024 20 30 FIEDMM N#Cc1ccc(C(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)cc1[O-] ZINC000442838866 1092800139 /nfs/dbraw/zinc/80/01/39/1092800139.db2.gz LXENXHNKKVNTEN-NRFANRHFSA-N -1 1 354.409 4.052 20 30 FIEDMM Cc1nc(-c2ccc([C@H](C)NC(=O)c3ccc(C#N)c([O-])c3)cc2)cs1 ZINC000442854015 1092826294 /nfs/dbraw/zinc/82/62/94/1092826294.db2.gz IENUHVPWVIHVJT-LBPRGKRZSA-N -1 1 363.442 4.187 20 30 FIEDMM N#Cc1ccc(C(=O)N[C@H](c2ccsc2)c2ccc(Cl)cc2)cc1[O-] ZINC000442942063 1092877059 /nfs/dbraw/zinc/87/70/59/1092877059.db2.gz HJYZKNHTGZATSH-SFHVURJKSA-N -1 1 368.845 4.498 20 30 FIEDMM Cc1[nH]c2ccccc2c1C1CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000614297223 1093350539 /nfs/dbraw/zinc/35/05/39/1093350539.db2.gz YLISNMZGQLAAAP-UHFFFAOYSA-N -1 1 359.429 4.073 20 30 FIEDMM N#CC(=C([O-])c1cccc(-n2cccc2)c1)c1nc(-c2ccncc2)cs1 ZINC000114620577 1093659953 /nfs/dbraw/zinc/65/99/53/1093659953.db2.gz AXPUDBWEEPKLTF-SFHVURJKSA-N -1 1 370.437 4.486 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)Nc2cccc(OCc3cccc(F)c3)c2)c1 ZINC000614364105 1093764083 /nfs/dbraw/zinc/76/40/83/1093764083.db2.gz WEWFTKZZIFDTBB-UHFFFAOYSA-N -1 1 362.360 4.234 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccccc2CN2CCc3ccccc32)c1 ZINC000614364038 1093764453 /nfs/dbraw/zinc/76/44/53/1093764453.db2.gz KSJVJWAXVNZKHH-UHFFFAOYSA-N -1 1 369.424 4.079 20 30 FIEDMM Cc1ccn(-c2ccc(C([O-])=C(C#N)c3nc(C(C)C)cs3)cc2)n1 ZINC000474431728 1093774120 /nfs/dbraw/zinc/77/41/20/1093774120.db2.gz KKTRBOOJCNXJDD-MRXNPFEDSA-N -1 1 350.447 4.251 20 30 FIEDMM Cc1ccnn1-c1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cc1 ZINC000474428061 1093780044 /nfs/dbraw/zinc/78/00/44/1093780044.db2.gz BXSHNFCPFVUEFG-MRXNPFEDSA-N -1 1 350.447 4.251 20 30 FIEDMM C[C@@H](CC#N)Sc1ccccc1[N-]C(=O)c1nc2cccnc2s1 ZINC000513447647 1094135924 /nfs/dbraw/zinc/13/59/24/1094135924.db2.gz GKBZFYQUKQNUBO-NSHDSACASA-N -1 1 354.460 4.338 20 30 FIEDMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000329117891 1094746264 /nfs/dbraw/zinc/74/62/64/1094746264.db2.gz UTHLFBOQPREHIG-NWANDNLSSA-N -1 1 368.474 4.392 20 30 FIEDMM CC(C)Oc1cccc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)n1 ZINC000179322299 1094789424 /nfs/dbraw/zinc/78/94/24/1094789424.db2.gz IXHUOQQSUNGDKA-LBPRGKRZSA-N -1 1 370.359 4.104 20 30 FIEDMM COc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c([O-])c1 ZINC000436537238 1099103252 /nfs/dbraw/zinc/10/32/52/1099103252.db2.gz OABTZLZALWWVTQ-UHFFFAOYSA-N -1 1 360.369 4.317 20 30 FIEDMM N#Cc1ccccc1CSCCNC(=O)c1ccc2ccccc2c1[O-] ZINC000436825814 1099351836 /nfs/dbraw/zinc/35/18/36/1099351836.db2.gz MSJIDCOBGUIBGT-UHFFFAOYSA-N -1 1 362.454 4.080 20 30 FIEDMM N#Cc1ccc(Oc2cccc([N-]S(=O)(=O)c3cccc(F)c3)c2)cc1 ZINC000517159560 1100137473 /nfs/dbraw/zinc/13/74/73/1100137473.db2.gz XRHYCJGSZNTNSZ-UHFFFAOYSA-N -1 1 368.389 4.290 20 30 FIEDMM CCC(C)(C)OCc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1C ZINC000425982822 1100613923 /nfs/dbraw/zinc/61/39/23/1100613923.db2.gz YHFCXCNUZPDONE-UHFFFAOYSA-N -1 1 372.490 4.373 20 30 FIEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccccc1Cc1ccccc1 ZINC000475803922 1101902683 /nfs/dbraw/zinc/90/26/83/1101902683.db2.gz ACRXQNNLEGGTIM-UHFFFAOYSA-N -1 1 362.454 4.144 20 30 FIEDMM C[C@@H]1[C@H](C(=O)[N-][C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)C1(F)F ZINC000461088333 1104070705 /nfs/dbraw/zinc/07/07/05/1104070705.db2.gz UJUXLADBRJWNCK-BDODKLCJSA-N -1 1 361.232 4.326 20 30 FIEDMM CSc1ccc(C)c([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000538299355 1104119658 /nfs/dbraw/zinc/11/96/58/1104119658.db2.gz UTVZOEMZNZJNMM-UHFFFAOYSA-N -1 1 352.868 4.043 20 30 FIEDMM N#CC1CCC(C[N-]S(=O)(=O)c2sc3ccccc3c2Cl)CC1 ZINC000451511738 1107145800 /nfs/dbraw/zinc/14/58/00/1107145800.db2.gz QLRRVKXKIXKYSD-UHFFFAOYSA-N -1 1 368.911 4.163 20 30 FIEDMM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)C1 ZINC000451739422 1107295802 /nfs/dbraw/zinc/29/58/02/1107295802.db2.gz USBPGILHHYIBDY-WPRPVWTQSA-N -1 1 367.685 4.007 20 30 FIEDMM CCOc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)c2ccccc12 ZINC000063878482 1107835686 /nfs/dbraw/zinc/83/56/86/1107835686.db2.gz BFMVFNXJPFNYBW-UHFFFAOYSA-N -1 1 366.442 4.219 20 30 FIEDMM N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccc(F)cc2[O-])c1 ZINC000531755551 1108120072 /nfs/dbraw/zinc/12/00/72/1108120072.db2.gz BAVQWIKXBHVAQV-UHFFFAOYSA-N -1 1 362.360 4.234 20 30 FIEDMM N#CC(=C([O-])c1ccnn1C1CCCC1)c1nc(-c2ccncc2)cs1 ZINC000531976521 1108489583 /nfs/dbraw/zinc/48/95/83/1108489583.db2.gz VYAFNCZOVNHQSR-HNNXBMFYSA-N -1 1 363.446 4.007 20 30 FIEDMM CC(C)c1csc(C(C#N)=C([O-])c2cc(-c3ccccc3)nn2C)n1 ZINC000453688306 1108688018 /nfs/dbraw/zinc/68/80/18/1108688018.db2.gz HLMGJJYOIIYGRK-AWEZNQCLSA-N -1 1 350.447 4.157 20 30 FIEDMM C=CCOc1cccnc1-c1nc(-c2cc(Cl)c([O-])c(OCC)c2)no1 ZINC000445410890 1108722254 /nfs/dbraw/zinc/72/22/54/1108722254.db2.gz KNPGANZWDRWJKI-UHFFFAOYSA-N -1 1 373.796 4.121 20 30 FIEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccccc1N1CCCCCC1 ZINC000524474316 1109036979 /nfs/dbraw/zinc/03/69/79/1109036979.db2.gz NOQNLOMAWHPXTG-UHFFFAOYSA-N -1 1 369.490 4.048 20 30 FIEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000462101056 1111493578 /nfs/dbraw/zinc/49/35/78/1111493578.db2.gz IDMYJMGBLYGPDK-UHFFFAOYSA-N -1 1 365.458 4.334 20 30 FIEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(CCC)cc1 ZINC000462105873 1111495187 /nfs/dbraw/zinc/49/51/87/1111495187.db2.gz WZRHCERAADVIEV-UHFFFAOYSA-N -1 1 357.479 4.133 20 30 FIEDMM N#CCCN(C(=O)c1ccc(C(F)(F)F)cc1[O-])c1ccc(F)cc1 ZINC000554180932 1112229719 /nfs/dbraw/zinc/22/97/19/1112229719.db2.gz DMIMQCNJHWZKAP-UHFFFAOYSA-N -1 1 352.287 4.111 20 30 FIEDMM N#CC(=C([O-])c1cccnc1OCC(F)(F)F)c1nccc2ccccc21 ZINC000483236084 1113468908 /nfs/dbraw/zinc/46/89/08/1113468908.db2.gz MSFXVTUBCAUZDC-OAHLLOKOSA-N -1 1 371.318 4.061 20 30 FIEDMM CN(Cc1cccc(C#N)c1)Cn1c(CCC2CCCC2)n[n-]c1=S ZINC000058205589 1115138774 /nfs/dbraw/zinc/13/87/74/1115138774.db2.gz HLFXCHXLUSZVHZ-UHFFFAOYSA-N -1 1 355.511 4.025 20 30 FIEDMM N#CC(=C([O-])c1ccc2c(c1)OCCCO2)c1nc2cc(F)ccc2s1 ZINC000592974566 1115272814 /nfs/dbraw/zinc/27/28/14/1115272814.db2.gz UGINKCCHPCDPKB-ZDUSSCGKSA-N -1 1 368.389 4.087 20 30 FIEDMM CC(C)(C#N)c1ccc(S(=O)(=O)[N-]c2cccc(C(C)(F)F)c2)cc1 ZINC000593211926 1115307081 /nfs/dbraw/zinc/30/70/81/1115307081.db2.gz PEBALYQARVEVRF-UHFFFAOYSA-N -1 1 364.417 4.400 20 30 FIEDMM Cc1nn(C(C)C)c(C)c1C(=O)/C=C/c1ccc([O-])c(Br)c1 ZINC000063874917 1116120422 /nfs/dbraw/zinc/12/04/22/1116120422.db2.gz HBDBUCHCIAQMBF-SOFGYWHQSA-N -1 1 363.255 4.445 20 30 FIEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000443126316 1116356727 /nfs/dbraw/zinc/35/67/27/1116356727.db2.gz ARSIKQCLJAEROV-NEPJUHHUSA-N -1 1 362.351 4.205 20 30 FIEDMM N#Cc1ccc(C(=O)N2CCC[C@@H]2c2ccc(Br)cc2)cc1[O-] ZINC000443283421 1117875729 /nfs/dbraw/zinc/87/57/29/1117875729.db2.gz MHXSHANXLUQROP-MRXNPFEDSA-N -1 1 371.234 4.004 20 30 FIEDMM N#Cc1ccc(C(=O)NC[C@@H](Cc2ccccc2)c2ccccc2)cc1[O-] ZINC000443286528 1117915795 /nfs/dbraw/zinc/91/57/95/1117915795.db2.gz VDGSOAGKYIOEFK-OAQYLSRUSA-N -1 1 356.425 4.020 20 30 FIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccnn3C(C)C)n2)cc1 ZINC000151656683 1118954060 /nfs/dbraw/zinc/95/40/60/1118954060.db2.gz JCAFPEJFNGFPFL-OAHLLOKOSA-N -1 1 366.446 4.086 20 30 FIEDMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)s1 ZINC000493128040 1119307763 /nfs/dbraw/zinc/30/77/63/1119307763.db2.gz BFIGFVUGJASJGF-UHFFFAOYSA-N -1 1 354.884 4.371 20 30 FIEDMM CC(C)c1csc(C(C#N)=C([O-])c2cccc(OC[C@H]3CCCO3)c2)n1 ZINC000177777362 1119350953 /nfs/dbraw/zinc/35/09/53/1119350953.db2.gz LTLYHFXUAMDENP-SJORKVTESA-N -1 1 370.474 4.314 20 30 FIEDMM CCCCCCCCc1nnc([N-]C(=O)c2snnc2CC)s1 ZINC000139861238 1121256598 /nfs/dbraw/zinc/25/65/98/1121256598.db2.gz YAMJAJBQWMBIOI-UHFFFAOYSA-N -1 1 353.517 4.107 20 30 FIEDMM Cc1ccoc1C([O-])=C(C#N)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000916906046 1121930097 /nfs/dbraw/zinc/93/00/97/1121930097.db2.gz BBCDDTZCDHUGLB-MRXNPFEDSA-N -1 1 360.369 4.342 20 30 FIEDMM Cc1cc(S(=O)(=O)[N-]c2ccccc2S[C@@H](C)CC#N)ccc1F ZINC000066813950 1122098748 /nfs/dbraw/zinc/09/87/48/1122098748.db2.gz JEUBWNIVVMDGFT-ZDUSSCGKSA-N -1 1 364.467 4.329 20 30 FIEDMM O=C(/C=C\c1cnn(-c2ccc(Br)cc2)c1)c1ccc([O-])cc1 ZINC000917143514 1122202086 /nfs/dbraw/zinc/20/20/86/1122202086.db2.gz HVQGLLFMLBTOLD-LAFDYMOFSA-N -1 1 369.218 4.237 20 30 FIEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)ccc1Cl ZINC000917715160 1122407788 /nfs/dbraw/zinc/40/77/88/1122407788.db2.gz VEXHKBYOAREAAY-UHFFFAOYSA-N -1 1 374.821 4.327 20 30 FIEDMM N#CC(=C([O-])c1cccc(OC(F)F)c1)c1nc(-c2ccncc2)cs1 ZINC000128816976 1122421432 /nfs/dbraw/zinc/42/14/32/1122421432.db2.gz UUAFOKAJPIDCII-CQSZACIVSA-N -1 1 371.368 4.297 20 30 FIEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccccc1N1CCCCCC1 ZINC000610149653 1123946142 /nfs/dbraw/zinc/94/61/42/1123946142.db2.gz MCRJDSWCTIOJRA-UHFFFAOYSA-N -1 1 369.490 4.048 20 30 FIEDMM N#Cc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2Br)cc1[O-] ZINC000615481924 1124016242 /nfs/dbraw/zinc/01/62/42/1124016242.db2.gz GNWNGIVAVSIAFJ-MRXNPFEDSA-N -1 1 371.234 4.004 20 30 FIEDMM COc1ccc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c([O-])c1 ZINC000436677249 568286016 /nfs/dbraw/zinc/28/60/16/568286016.db2.gz WJTJHVWLDVKWPC-UHFFFAOYSA-N -1 1 360.369 4.317 20 30 FIEDMM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(-c2ccccc2)cc1F ZINC000031721628 568336379 /nfs/dbraw/zinc/33/63/79/568336379.db2.gz IDCFGAACLQOSGH-UHFFFAOYSA-N -1 1 352.390 4.165 20 30 FIEDMM N#CCc1cccc(S(=O)(=O)[N-]c2cccc(Oc3ccccc3)c2)c1 ZINC000619461191 1125596297 /nfs/dbraw/zinc/59/62/97/1125596297.db2.gz SGXVLEUOMTWHJZ-UHFFFAOYSA-N -1 1 364.426 4.346 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)c1 ZINC000619450796 1125597832 /nfs/dbraw/zinc/59/78/32/1125597832.db2.gz DBLRGXGHFVEUSU-UHFFFAOYSA-N -1 1 372.249 4.136 20 30 FIEDMM CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000619581381 1125623727 /nfs/dbraw/zinc/62/37/27/1125623727.db2.gz LNDGJTSFZBPPAX-UHFFFAOYSA-N -1 1 362.351 4.335 20 30 FIEDMM Cc1c([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cccc1C(F)(F)F ZINC000471137614 1079814270 /nfs/dbraw/zinc/81/42/70/1079814270.db2.gz RNBFKDJOMDSCQC-UHFFFAOYSA-N -1 1 374.771 4.340 20 30 FIEDMM CC(C)(C)OCc1cc(C(=O)[N-]c2sc3c(c2C#N)CCCCC3)no1 ZINC000471362945 1081012439 /nfs/dbraw/zinc/01/24/39/1081012439.db2.gz RKUCFUQDRSLCHJ-UHFFFAOYSA-N -1 1 373.478 4.444 20 30 FIEDMM C[C@@]1(Cc2ccc(F)c(Cl)c2)CCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC001648881906 1081342261 /nfs/dbraw/zinc/34/22/61/1081342261.db2.gz RHLNKKXJKSWCQP-FQEVSTJZSA-N -1 1 372.827 4.294 20 30 FIEDMM N#Cc1ccccc1COc1ccc(C(=O)Nc2c([O-])cccc2F)cc1 ZINC000610339699 1081495372 /nfs/dbraw/zinc/49/53/72/1081495372.db2.gz GQOXTBLBYMTMBC-UHFFFAOYSA-N -1 1 362.360 4.234 20 30 FIEDMM Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)C=Cc1ccnc(Cl)c1 ZINC000255323707 1082674004 /nfs/dbraw/zinc/67/40/04/1082674004.db2.gz OIINUYMGYXRLCC-IDTUSYRASA-N -1 1 363.804 4.130 20 30 FIEDMM COc1cc(OC2CC2)ccc1C([O-])=C(C#N)c1nc(C2CC2)cs1 ZINC000647379223 1083371020 /nfs/dbraw/zinc/37/10/20/1083371020.db2.gz RFCHGQUKDCOMDE-HNNXBMFYSA-N -1 1 354.431 4.060 20 30 FIEDMM Cc1ccn(-c2ccc(C([O-])=C(C#N)c3nc4ccccc4s3)cc2)n1 ZINC000048824274 1085707108 /nfs/dbraw/zinc/70/71/08/1085707108.db2.gz GKURMZXCJUYODY-MRXNPFEDSA-N -1 1 358.426 4.281 20 30 FIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1Cl ZINC000168592676 1087119006 /nfs/dbraw/zinc/11/90/06/1087119006.db2.gz CZAXYPVMGKQMDJ-UHFFFAOYSA-N -1 1 361.637 4.319 20 30 FIEDMM Cc1cc(C)n(-c2ccc(C([O-])=C(C#N)c3nc(C4CC4)cs3)cc2)n1 ZINC000647371655 1087783389 /nfs/dbraw/zinc/78/33/89/1087783389.db2.gz VSGVICUHYNPLLK-KRWDZBQOSA-N -1 1 362.458 4.313 20 30 FIEDMM CCCc1cc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)ccc1Cl ZINC000472732602 1089229258 /nfs/dbraw/zinc/22/92/58/1089229258.db2.gz CIVIFHLKBYWNFV-CQSZACIVSA-N -1 1 352.825 4.362 20 30 FIEDMM CCC(C)(C)OCc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000435727934 1089899141 /nfs/dbraw/zinc/89/91/41/1089899141.db2.gz HIRLGNWJNVMSRI-UHFFFAOYSA-N -1 1 372.490 4.373 20 30 FIEDMM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435910342 1090009625 /nfs/dbraw/zinc/00/96/25/1090009625.db2.gz WPPAIIVEPBRVDH-UHFFFAOYSA-N -1 1 367.273 4.273 20 30 FIEDMM CCCCc1ccc(C(=O)CCC(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000051266615 1090153722 /nfs/dbraw/zinc/15/37/22/1090153722.db2.gz WURDYIOLQQOODN-UHFFFAOYSA-N -1 1 368.359 4.417 20 30 FIEDMM Cc1cc([O-])c(C(=O)C=Cc2c(Cl)cccc2SC(C)C)c(=O)o1 ZINC000195333114 1091492283 /nfs/dbraw/zinc/49/22/83/1091492283.db2.gz DOWUSHGCBMMSFL-OZSKJFCKSA-N -1 1 364.850 4.069 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)Nc2cccc(COc3cccc(F)c3)c2)c1 ZINC000614295279 1093357438 /nfs/dbraw/zinc/35/74/38/1093357438.db2.gz JEXQVGRTZHSNAN-UHFFFAOYSA-N -1 1 362.360 4.234 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)c1 ZINC000614295689 1093358715 /nfs/dbraw/zinc/35/87/15/1093358715.db2.gz YGMWXNLMFROAAJ-UHFFFAOYSA-N -1 1 360.335 4.087 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)Nc2cccc(COC3CCCCC3)c2)c1 ZINC000614365805 1093760890 /nfs/dbraw/zinc/76/08/90/1093760890.db2.gz LHCIDWPEKQDWFI-UHFFFAOYSA-N -1 1 350.418 4.365 20 30 FIEDMM N#CCCC[C@@H](NC(=O)c1ccc(Br)cc1[O-])c1ccccc1 ZINC000436925271 1099438074 /nfs/dbraw/zinc/43/80/74/1099438074.db2.gz IHDRGTVWONIKMJ-MRXNPFEDSA-N -1 1 373.250 4.320 20 30 FIEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1cccc(Oc2ccccc2)c1 ZINC000475795937 1101857858 /nfs/dbraw/zinc/85/78/58/1101857858.db2.gz XDJOUAOMXVXIQE-UHFFFAOYSA-N -1 1 364.426 4.346 20 30 FIEDMM CC(C)c1nc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3)cc2s1 ZINC000519120781 1101944473 /nfs/dbraw/zinc/94/44/73/1101944473.db2.gz VWKONGZQCQPJNX-UHFFFAOYSA-N -1 1 357.460 4.092 20 30 FIEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(CCC(F)(F)F)cc1 ZINC000440272221 1102160495 /nfs/dbraw/zinc/16/04/95/1102160495.db2.gz BHIHVLDYFOZSPL-UHFFFAOYSA-N -1 1 368.380 4.162 20 30 FIEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(-c3ccoc3)c2)n1 ZINC000536348137 1104773838 /nfs/dbraw/zinc/77/38/38/1104773838.db2.gz IEXHGPXRZNKHKR-OAHLLOKOSA-N -1 1 366.398 4.070 20 30 FIEDMM N#CCCCOc1cccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c1 ZINC000450990099 1106857385 /nfs/dbraw/zinc/85/73/85/1106857385.db2.gz SJXVLHLSUNQCIH-UHFFFAOYSA-N -1 1 356.447 4.047 20 30 FIEDMM CCc1cc(C)c(C([O-])=C(C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)o1 ZINC000128725899 1113362850 /nfs/dbraw/zinc/36/28/50/1113362850.db2.gz CYMXDDMPZFPVRO-CYBMUJFWSA-N -1 1 374.824 4.082 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000587110516 1114413762 /nfs/dbraw/zinc/41/37/62/1114413762.db2.gz GWOLSZJKXUYSOX-ZWKOTPCHSA-N -1 1 374.362 4.349 20 30 FIEDMM C=CCN(Cc1ccccc1F)Cn1c(Cc2cccs2)n[n-]c1=S ZINC000058206212 1115154109 /nfs/dbraw/zinc/15/41/09/1115154109.db2.gz OMOILYRSNXAJMN-UHFFFAOYSA-N -1 1 374.510 4.378 20 30 FIEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccccc2-n2cccn2)s1 ZINC000574110581 1115290996 /nfs/dbraw/zinc/29/09/96/1115290996.db2.gz SVBVLXAWUSEMFG-AWEZNQCLSA-N -1 1 350.447 4.116 20 30 FIEDMM CSc1ccc(C)c([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1 ZINC000593210865 1115307213 /nfs/dbraw/zinc/30/72/13/1115307213.db2.gz VGIMIQBIBOSHHF-UHFFFAOYSA-N -1 1 360.504 4.319 20 30 FIEDMM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cnc(CCC)s2)cc1 ZINC000173969902 1116102347 /nfs/dbraw/zinc/10/23/47/1116102347.db2.gz QXIGFSIFRGDTOK-INIZCTEOSA-N -1 1 369.490 4.399 20 30 FIEDMM N#Cc1ccc(C(=O)NCCSCc2cccc3ccccc32)cc1[O-] ZINC000443313706 1117967757 /nfs/dbraw/zinc/96/77/57/1117967757.db2.gz QLUCZYFIGNJQBD-UHFFFAOYSA-N -1 1 362.454 4.080 20 30 FIEDMM N#CC(=C([O-])c1cc(Cl)cc2c1OCC2)c1cc(C(F)(F)F)ccn1 ZINC000464403874 1118553269 /nfs/dbraw/zinc/55/32/69/1118553269.db2.gz HNCQZEVZKLMZAP-ZDUSSCGKSA-N -1 1 366.726 4.179 20 30 FIEDMM CCCn1nc(C)c(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)c1C ZINC000177587504 1119337898 /nfs/dbraw/zinc/33/78/98/1119337898.db2.gz ZUIIWDGHIKVSMI-CYBMUJFWSA-N -1 1 371.391 4.145 20 30 FIEDMM C=C(C)C[C@H](C)C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000184230419 1119599456 /nfs/dbraw/zinc/59/94/56/1119599456.db2.gz FGQKFLPWVSBWPK-INIZCTEOSA-N -1 1 372.490 4.337 20 30 FIEDMM Cc1c(Br)scc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000186986979 1119759668 /nfs/dbraw/zinc/75/96/68/1119759668.db2.gz FRXRGHFDBDKNNV-JTQLQIEISA-N -1 1 374.263 4.196 20 30 FIEDMM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(Oc3ccccc3)o2)c1 ZINC000176530287 1119893823 /nfs/dbraw/zinc/89/38/23/1119893823.db2.gz NOUUWOHEZIHOHF-KRWDZBQOSA-N -1 1 360.369 4.342 20 30 FIEDMM CCC[C@@H](C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3)C(C)C ZINC000153138899 1120028486 /nfs/dbraw/zinc/02/84/86/1120028486.db2.gz BPJXELIZWIIKPN-TZMCWYRMSA-N -1 1 371.506 4.112 20 30 FIEDMM C=CCCCC(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000176582614 1120547650 /nfs/dbraw/zinc/54/76/50/1120547650.db2.gz WFHAOLKOYSFXOP-UHFFFAOYSA-N -1 1 354.431 4.051 20 30 FIEDMM N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(Cl)cc3[O-])o2)cc1 ZINC000153634482 1121000655 /nfs/dbraw/zinc/00/06/55/1121000655.db2.gz CXGJFTHIKVNKFP-UHFFFAOYSA-N -1 1 368.776 4.342 20 30 FIEDMM CSc1ccc([O-])c(C(=O)N(O)Cc2cc(Cl)cc(Cl)c2)c1 ZINC001649026084 1121257724 /nfs/dbraw/zinc/25/77/24/1121257724.db2.gz NROICPJNOGWWNI-UHFFFAOYSA-N -1 1 358.246 4.453 20 30 FIEDMM O=C(COc1ccc(Cl)cc1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001649025970 1121260913 /nfs/dbraw/zinc/26/09/13/1121260913.db2.gz IYGJNBJOHIFVND-UHFFFAOYSA-N -1 1 360.624 4.444 20 30 FIEDMM C[C@@H](C#N)CSc1ccccc1[N-]C(=O)c1cc(-c2ccccn2)no1 ZINC000073477581 1121990916 /nfs/dbraw/zinc/99/09/16/1121990916.db2.gz OMZZKLYDEHRDME-ZDUSSCGKSA-N -1 1 364.430 4.241 20 30 FIEDMM CCCCc1oc2ccccc2c1C=CC(=O)c1c([O-])cc(C)oc1=O ZINC000917209872 1122224152 /nfs/dbraw/zinc/22/41/52/1122224152.db2.gz BIBNCWMNPBVLEZ-PISNEZEASA-N -1 1 352.386 4.004 20 30 FIEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)cc1Cl ZINC000055639957 1122259338 /nfs/dbraw/zinc/25/93/38/1122259338.db2.gz KNOKZLAFSVLKPL-UHFFFAOYSA-N -1 1 364.854 4.132 20 30 FIEDMM CCOC(=O)c1oc2c(c1C)C(=O)/C(=C\c1ccc([O-])c(Cl)c1)CC2 ZINC000921270709 1123610018 /nfs/dbraw/zinc/61/00/18/1123610018.db2.gz YKJIJTIHPBWDCD-WQLSENKSSA-N -1 1 360.793 4.336 20 30 FIEDMM CC(C)c1csc(C(C#N)=C([O-])c2cccc(NC(=O)C3CC3)c2)n1 ZINC000080455410 1123966200 /nfs/dbraw/zinc/96/62/00/1123966200.db2.gz DUQHNSYPVQIQJL-OAHLLOKOSA-N -1 1 353.447 4.105 20 30 FIEDMM CC(C)c1csc(C(C#N)=C([O-])c2cccc(NC(=O)C3CC3)c2)n1 ZINC000080455408 1123966338 /nfs/dbraw/zinc/96/63/38/1123966338.db2.gz DUQHNSYPVQIQJL-HNNXBMFYSA-N -1 1 353.447 4.105 20 30 FIEDMM COc1ccccc1-c1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000110590689 1124760506 /nfs/dbraw/zinc/76/05/06/1124760506.db2.gz WXEOCIUDNGQSAW-UHFFFAOYSA-N -1 1 364.426 4.035 20 30 FIEDMM CC[C@H](C)n1ncc(C([O-])=C(C#N)c2nc3ccccc3n2C)c1C1CC1 ZINC000089964396 1124972592 /nfs/dbraw/zinc/97/25/92/1124972592.db2.gz XABPWXQCQAAHQP-ZFWWWQNUSA-N -1 1 361.449 4.108 20 30 FIEDMM C[C@H](CC#N)Sc1ccccc1[N-]C(=O)c1coc(C(F)(F)F)n1 ZINC000602095763 567933437 /nfs/dbraw/zinc/93/34/37/567933437.db2.gz FCUSYKLBORWCKU-SECBINFHSA-N -1 1 355.341 4.340 20 30 FIEDMM Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccccc1[O-] ZINC000436648564 568232880 /nfs/dbraw/zinc/23/28/80/568232880.db2.gz OALLRFMTNGIVTR-UHFFFAOYSA-N -1 1 358.397 4.404 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)c1 ZINC000619444392 1125592360 /nfs/dbraw/zinc/59/23/60/1125592360.db2.gz RUGCZRRJACQGDE-FQEVSTJZSA-N -1 1 372.428 4.021 20 30 FIEDMM CN1CCN(c2ccc(N=Cc3cc(Cl)cc(Cl)c3[O-])cc2)CC1 ZINC000254925983 1080003122 /nfs/dbraw/zinc/00/31/22/1080003122.db2.gz FFXAJYGYFOPELT-UHFFFAOYSA-N -1 1 364.276 4.201 20 30 FIEDMM N#CCCn1ncc(C(=O)Nc2ccc([O-])c(Cl)c2)c1-c1ccccc1 ZINC000430304445 1080565195 /nfs/dbraw/zinc/56/51/95/1080565195.db2.gz VJCDDZHBRGHUGL-UHFFFAOYSA-N -1 1 366.808 4.075 20 30 FIEDMM C[C@H](CC#N)Sc1ccccc1[N-]C(=O)c1c(F)cc(C#N)cc1F ZINC000151005859 1086716442 /nfs/dbraw/zinc/71/64/42/1086716442.db2.gz ZKSZOLCPUCMMNR-LLVKDONJSA-N -1 1 357.385 4.483 20 30 FIEDMM Cc1cc(C)n(-c2ccc(C([O-])=C(C#N)c3nc(C4CC4)cs3)cc2)n1 ZINC000647371656 1087782967 /nfs/dbraw/zinc/78/29/67/1087782967.db2.gz VSGVICUHYNPLLK-QGZVFWFLSA-N -1 1 362.458 4.313 20 30 FIEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)ccc1Cl ZINC000189238363 1088463955 /nfs/dbraw/zinc/46/39/55/1088463955.db2.gz CSUMUZVACCTHJD-UHFFFAOYSA-N -1 1 374.771 4.117 20 30 FIEDMM N#Cc1ccc(C(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)cc1[O-] ZINC000190134620 1090387516 /nfs/dbraw/zinc/38/75/16/1090387516.db2.gz KQQTXDMTMUCVTK-UHFFFAOYSA-N -1 1 360.335 4.087 20 30 FIEDMM Cc1nc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c(C)s1 ZINC000178707453 1093134581 /nfs/dbraw/zinc/13/45/81/1093134581.db2.gz GXSCICLNBVKKJS-GFCCVEGCSA-N -1 1 368.245 4.028 20 30 FIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl ZINC000322172330 1093212924 /nfs/dbraw/zinc/21/29/24/1093212924.db2.gz NPMKGHOQPVONKJ-UHFFFAOYSA-N -1 1 360.744 4.031 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)NC2(c3cccc(C(F)(F)F)c3)CCC2)c1 ZINC000614370498 1093771642 /nfs/dbraw/zinc/77/16/42/1093771642.db2.gz CZZOPHDLINIWED-UHFFFAOYSA-N -1 1 360.335 4.092 20 30 FIEDMM Cc1csc(-c2cccc([N-]S(=O)(=O)c3cc(C#N)ccc3C)c2)n1 ZINC000513374549 1094090658 /nfs/dbraw/zinc/09/06/58/1094090658.db2.gz ZTORWZRVLGUHQH-UHFFFAOYSA-N -1 1 369.471 4.099 20 30 FIEDMM Cc1csc(C(C#N)=C([O-])c2cccc(COc3ccc(C#N)cc3)c2)n1 ZINC000115900987 1094284186 /nfs/dbraw/zinc/28/41/86/1094284186.db2.gz LKRFVFPBBGLGMP-LJQANCHMSA-N -1 1 373.437 4.392 20 30 FIEDMM Cc1csc(C(C#N)=C([O-])c2cccc(NC(=O)c3cccs3)c2)n1 ZINC000041519010 1094642013 /nfs/dbraw/zinc/64/20/13/1094642013.db2.gz LTBIZOYENDJXEW-CQSZACIVSA-N -1 1 367.455 4.255 20 30 FIEDMM Cc1nc(C(F)(F)F)ccc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000515584827 1098728131 /nfs/dbraw/zinc/72/81/31/1098728131.db2.gz FMAWLNDADQVMOF-LLVKDONJSA-N -1 1 373.256 4.313 20 30 FIEDMM C=CCNC(=O)c1cccc(-c2noc(-c3ccc4ccccc4c3[O-])n2)c1 ZINC000436919301 1099434522 /nfs/dbraw/zinc/43/45/22/1099434522.db2.gz KUZCLUCBRDBLPZ-UHFFFAOYSA-N -1 1 371.396 4.178 20 30 FIEDMM N#CCCC[C@H](NC(=O)c1ccc(Br)cc1[O-])c1ccccc1 ZINC000436925270 1099437849 /nfs/dbraw/zinc/43/78/49/1099437849.db2.gz IHDRGTVWONIKMJ-INIZCTEOSA-N -1 1 373.250 4.320 20 30 FIEDMM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)ccc1C(F)(F)F ZINC000438774982 1100909301 /nfs/dbraw/zinc/90/93/01/1100909301.db2.gz PKKMEEYWTAYFRF-UHFFFAOYSA-N -1 1 374.771 4.340 20 30 FIEDMM CC(C)(C)c1nc2ccc(S(=O)(=O)[N-]c3ccc(C#N)cc3)cc2s1 ZINC000438791444 1100922047 /nfs/dbraw/zinc/92/20/47/1100922047.db2.gz BYIBBLLMTWDJIG-UHFFFAOYSA-N -1 1 371.487 4.266 20 30 FIEDMM C[C@@H]1[C@@H](C(=O)[N-][C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)C1(F)F ZINC000461083533 1104083158 /nfs/dbraw/zinc/08/31/58/1104083158.db2.gz DZEJPHYXPLQSBZ-UASFKTIASA-N -1 1 361.232 4.326 20 30 FIEDMM CC(C)(C)OCc1cc(C(=O)[N-]c2cc(C(C)(C)C)sc2C#N)no1 ZINC000186646891 1107832550 /nfs/dbraw/zinc/83/25/50/1107832550.db2.gz QSBMPVSPEWOKNX-UHFFFAOYSA-N -1 1 361.467 4.473 20 30 FIEDMM N#C[C@H](C(=O)[C@H]1CCCC12CC2)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000528911704 1110147937 /nfs/dbraw/zinc/14/79/37/1110147937.db2.gz DDYDMMPXZMWHNJ-CHWSQXEVSA-N -1 1 367.474 4.032 20 30 FIEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(Cl)c1C ZINC000462102946 1111493451 /nfs/dbraw/zinc/49/34/51/1111493451.db2.gz NZSCMJQUNJIHKG-UHFFFAOYSA-N -1 1 363.870 4.143 20 30 FIEDMM CC(C)(CCC#N)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000553566742 1112009872 /nfs/dbraw/zinc/00/98/72/1112009872.db2.gz GOZPNXKEKSHPDA-UHFFFAOYSA-N -1 1 369.701 4.255 20 30 FIEDMM Cc1nc(NC(=O)c2cc3ccccc3cc2[O-])sc1SCC#N ZINC000044789938 1114456823 /nfs/dbraw/zinc/45/68/23/1114456823.db2.gz UZIZVZBIUPYIFO-UHFFFAOYSA-N -1 1 355.444 4.178 20 30 FIEDMM CC(C)OCc1cccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1 ZINC000593197463 1115305657 /nfs/dbraw/zinc/30/56/57/1115305657.db2.gz PXLLBCVPFNNGNM-UHFFFAOYSA-N -1 1 372.490 4.214 20 30 FIEDMM CC(C)COc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000603981813 1115836649 /nfs/dbraw/zinc/83/66/49/1115836649.db2.gz PIBDVHGFXLLLKW-UHFFFAOYSA-N -1 1 364.854 4.047 20 30 FIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2NC2CCCCC2)cc1 ZINC000534289523 1116180598 /nfs/dbraw/zinc/18/05/98/1116180598.db2.gz BVYRNWLHWYLYPT-UHFFFAOYSA-N -1 1 355.463 4.104 20 30 FIEDMM N#Cc1ccc(C(=O)N[C@@H](c2cccs2)c2ccc(Cl)cc2)cc1[O-] ZINC000442733128 1116294312 /nfs/dbraw/zinc/29/43/12/1116294312.db2.gz YBFADHMPVDSBSE-GOSISDBHSA-N -1 1 368.845 4.498 20 30 FIEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)ccc1F ZINC000609106938 1117784538 /nfs/dbraw/zinc/78/45/38/1117784538.db2.gz PZKJZTKJYKEFJK-UHFFFAOYSA-N -1 1 366.373 4.398 20 30 FIEDMM CC(C)N(Cc1ccc(Br)cc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000443334016 1118032240 /nfs/dbraw/zinc/03/22/40/1118032240.db2.gz LGTOEFVNDHNXAU-UHFFFAOYSA-N -1 1 373.250 4.077 20 30 FIEDMM Cc1sc([N-]C(=O)c2cc(COc3ccccc3F)on2)c(C#N)c1C ZINC000464552297 1118601670 /nfs/dbraw/zinc/60/16/70/1118601670.db2.gz KGOSBNGWRLNKOC-UHFFFAOYSA-N -1 1 371.393 4.195 20 30 FIEDMM CC(C)c1csc(C(C#N)=C([O-])c2cccc(NC(=O)[C@@H]3C[C@H]3C)c2)n1 ZINC000177772888 1119350460 /nfs/dbraw/zinc/35/04/60/1119350460.db2.gz BUSZRARJRTZJES-DAXOMENPSA-N -1 1 367.474 4.351 20 30 FIEDMM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cc(C#N)cs2)cc1 ZINC000176461115 1119432101 /nfs/dbraw/zinc/43/21/01/1119432101.db2.gz USCZVTYNLHWHDT-LRDDRELGSA-N -1 1 351.431 4.094 20 30 FIEDMM CCN(CC)C(=O)Nc1ccc(C(C)=NNc2ccccc2C(=O)[O-])cc1 ZINC000914772813 1120531444 /nfs/dbraw/zinc/53/14/44/1120531444.db2.gz COMQEPFRHDTREL-UHFFFAOYSA-N -1 1 368.437 4.095 20 30 FIEDMM CC(=NN=c1[nH]c2ccccc2[nH]1)c1ccc(-c2ccc(C(=O)[O-])o2)cc1 ZINC000915915548 1121348106 /nfs/dbraw/zinc/34/81/06/1121348106.db2.gz SINFDANNYXQGLY-UHFFFAOYSA-N -1 1 360.373 4.357 20 30 FIEDMM CCCCOc1ccc(C(C)N=Nc2ccc(C(=O)[O-])cc2)cc1OC ZINC000915933179 1121354497 /nfs/dbraw/zinc/35/44/97/1121354497.db2.gz HEJGKQXUZVCSIB-UHFFFAOYSA-N -1 1 356.422 4.408 20 30 FIEDMM COc1cccc(-c2nc(/C=C3/Oc4cc([O-])cc(C)c4C3=O)cs2)c1 ZINC000915988735 1121367989 /nfs/dbraw/zinc/36/79/89/1121367989.db2.gz FGVSSZZJGRLNEQ-CAOOACKPSA-N -1 1 365.410 4.449 20 30 FIEDMM Cc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2Oc2ccccc2)o1 ZINC000916908882 1121930778 /nfs/dbraw/zinc/93/07/78/1121930778.db2.gz OEAZLYFLWDPPFI-INIZCTEOSA-N -1 1 360.369 4.342 20 30 FIEDMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc(OCCCC#N)c1 ZINC000055639949 1122259455 /nfs/dbraw/zinc/25/94/55/1122259455.db2.gz MTFUUZQBVMGKPV-UHFFFAOYSA-N -1 1 364.854 4.132 20 30 FIEDMM CCOc1ccc(C(CC)N=Nc2cccc(C(=O)[O-])c2)cc1OCC ZINC000920824875 1123518996 /nfs/dbraw/zinc/51/89/96/1123518996.db2.gz BEDJAKNXPSPRHP-UHFFFAOYSA-N -1 1 356.422 4.408 20 30 FIEDMM CCCCCCC[C@]1(C)NC(=O)N(N=Cc2ccc([O-])c(Cl)c2)C1=O ZINC000921256803 1123596299 /nfs/dbraw/zinc/59/62/99/1123596299.db2.gz ZCWUSMYRAFVNEL-SFHVURJKSA-N -1 1 365.861 4.051 20 30 FIEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2nc(C(C)C)sc2c1 ZINC000610123785 1123947610 /nfs/dbraw/zinc/94/76/10/1123947610.db2.gz CFYZQEQCPMTDSP-UHFFFAOYSA-N -1 1 371.487 4.401 20 30 FIEDMM CSc1nc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c2ccccn12 ZINC000080453410 1123966317 /nfs/dbraw/zinc/96/63/17/1123966317.db2.gz MQSBZGHPAYABKM-LLVKDONJSA-N -1 1 356.476 4.126 20 30 FIEDMM CC(C)c1csc(C(C#N)=C([O-])c2cncn2-c2ccc(F)cc2)n1 ZINC000080456612 1123966357 /nfs/dbraw/zinc/96/63/57/1123966357.db2.gz LENVEWPWNTZDAA-CQSZACIVSA-N -1 1 354.410 4.081 20 30 FIEDMM Cc1c(C#N)c(N2CCC(C(=O)c3ccc([O-])cc3)CC2)nc2ccccc12 ZINC000649308826 1124162868 /nfs/dbraw/zinc/16/28/68/1124162868.db2.gz YFZSWCCYZOOGSC-UHFFFAOYSA-N -1 1 371.440 4.220 20 30 FIEDMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1SC[C@@H](C)C#N ZINC000108251868 1124270251 /nfs/dbraw/zinc/27/02/51/1124270251.db2.gz JLVHMULLPZOLCR-LBPRGKRZSA-N -1 1 364.467 4.187 20 30 FIEDMM COc1ccccc1-c1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000110590723 1124760769 /nfs/dbraw/zinc/76/07/69/1124760769.db2.gz CFGHLRZADCURSI-UHFFFAOYSA-N -1 1 364.426 4.035 20 30 FIEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000007428238 1124903358 /nfs/dbraw/zinc/90/33/58/1124903358.db2.gz BHYIODDEQIJBBT-UHFFFAOYSA-N -1 1 360.744 4.031 20 30 FIEDMM Cc1ccc(-c2nc(NC(=O)c3cc([O-])cc(C#N)c3)sc2C)s1 ZINC000619612351 1125628514 /nfs/dbraw/zinc/62/85/14/1125628514.db2.gz DAVFVHMMKSESAM-UHFFFAOYSA-N -1 1 355.444 4.318 20 30 FIEDMM N#CC(=C([O-])c1ccc2ncccc2c1)c1nc(-c2ccncc2)cs1 ZINC000120060021 1080891316 /nfs/dbraw/zinc/89/13/16/1080891316.db2.gz NMPPAUNDMLRWRP-INIZCTEOSA-N -1 1 356.410 4.243 20 30 FIEDMM Cc1ccc(-c2cnc(CCC(=O)Nc3n[n-]c(C(F)(F)F)n3)o2)cc1 ZINC000029389666 1080955348 /nfs/dbraw/zinc/95/53/48/1080955348.db2.gz CDDIONPOZHLZON-UHFFFAOYSA-N -1 1 365.315 4.008 20 30 FIEDMM CC(C)NC(=O)c1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cc1 ZINC000430619457 1082723955 /nfs/dbraw/zinc/72/39/55/1082723955.db2.gz BGKRPTYAGZIBNT-HNNXBMFYSA-N -1 1 369.490 4.069 20 30 FIEDMM Cc1ccc(N=Cc2ccccc2O)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000255336044 1082729963 /nfs/dbraw/zinc/72/99/63/1082729963.db2.gz XJVBBZBTRYEICM-UHFFFAOYSA-N -1 1 366.442 4.252 20 30 FIEDMM CCCn1ccc2cc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)ccc21 ZINC000065069859 1083296033 /nfs/dbraw/zinc/29/60/33/1083296033.db2.gz UWIYSCOUFMHGBU-UHFFFAOYSA-N -1 1 373.865 4.377 20 30 FIEDMM N#CC(=C([O-])c1ccc(Br)c(F)c1)c1nc(C2CC2)cs1 ZINC000647377302 1083372506 /nfs/dbraw/zinc/37/25/06/1083372506.db2.gz BZKHDCCENDXFCK-SNVBAGLBSA-N -1 1 365.227 4.412 20 30 FIEDMM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000091990243 1083689283 /nfs/dbraw/zinc/68/92/83/1083689283.db2.gz BKRYGAULXDDTAE-NHCUHLMSSA-N -1 1 356.425 4.457 20 30 FIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(F)cc3)n2)cc1 ZINC000066544131 1084642226 /nfs/dbraw/zinc/64/22/26/1084642226.db2.gz CARYKXJDEZKUJO-MRXNPFEDSA-N -1 1 352.390 4.448 20 30 FIEDMM N#Cc1ccc(CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C2CC2)cc1 ZINC000180371016 1085077241 /nfs/dbraw/zinc/07/72/41/1085077241.db2.gz AGLOHLGEBDELJH-UHFFFAOYSA-N -1 1 360.335 4.087 20 30 FIEDMM CC(=O)c1ncc(C(=O)[N-]c2sc3c(c2C#N)[C@H](C)C[C@@H](C)C3)s1 ZINC000415733079 1089875443 /nfs/dbraw/zinc/87/54/43/1089875443.db2.gz APVJOKOPNAWJJU-RKDXNWHRSA-N -1 1 359.476 4.217 20 30 FIEDMM CC(=O)c1ncc(C(=O)[N-]c2sc3c(c2C#N)[C@H](C)[C@@H](C)CC3)s1 ZINC000415742117 1089886512 /nfs/dbraw/zinc/88/65/12/1089886512.db2.gz ZYGAJEQZFDHNFE-DTWKUNHWSA-N -1 1 359.476 4.217 20 30 FIEDMM CCCn1ccc2ccc([N-]S(=O)(=O)c3cc(C#N)ccc3C)cc21 ZINC000460832973 1090004171 /nfs/dbraw/zinc/00/41/71/1090004171.db2.gz WLIZDVJAFDXWOF-UHFFFAOYSA-N -1 1 353.447 4.032 20 30 FIEDMM Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000500758543 1092518287 /nfs/dbraw/zinc/51/82/87/1092518287.db2.gz LOKODKWZRBQAMY-UHFFFAOYSA-N -1 1 362.345 4.148 20 30 FIEDMM COc1cc(C(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc(Cl)c1[O-] ZINC000442942633 1092878600 /nfs/dbraw/zinc/87/86/00/1092878600.db2.gz QEISEBSVHCUHTJ-UHFFFAOYSA-N -1 1 372.852 4.224 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)N[C@H](c2ccsc2)c2ccc(Cl)cc2)c1 ZINC000614298340 1093359777 /nfs/dbraw/zinc/35/97/77/1093359777.db2.gz UCBCSEYRWOWCPY-SFHVURJKSA-N -1 1 368.845 4.498 20 30 FIEDMM N#CC(=C([O-])c1cccc(-n2cccc2)c1)c1nc(-c2ccncc2)cs1 ZINC000114620575 1093659736 /nfs/dbraw/zinc/65/97/36/1093659736.db2.gz AXPUDBWEEPKLTF-GOSISDBHSA-N -1 1 370.437 4.486 20 30 FIEDMM C=CCCC1(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CC1 ZINC000474411026 1093741122 /nfs/dbraw/zinc/74/11/22/1093741122.db2.gz INQJKCHIIBGFJP-UHFFFAOYSA-N -1 1 370.474 4.172 20 30 FIEDMM CCc1ccc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)cc1CC ZINC000533787165 1099936402 /nfs/dbraw/zinc/93/64/02/1099936402.db2.gz HFWMWQVFKGQNED-UHFFFAOYSA-N -1 1 372.490 4.295 20 30 FIEDMM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2oc(C3CC3)nc2C)cc1 ZINC000760185156 1101587346 /nfs/dbraw/zinc/58/73/46/1101587346.db2.gz YIAFOUQPPSGQJF-PXAZEXFGSA-N -1 1 365.433 4.335 20 30 FIEDMM Cc1[nH]c2ccccc2c1C1CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000190834340 1101599870 /nfs/dbraw/zinc/59/98/70/1101599870.db2.gz QCEJJNJXBDNXBB-UHFFFAOYSA-N -1 1 359.429 4.073 20 30 FIEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(Cl)c(C(F)(F)F)c1 ZINC000475810651 1101931181 /nfs/dbraw/zinc/93/11/81/1101931181.db2.gz HJAYRPJRZZIXAZ-UHFFFAOYSA-N -1 1 374.771 4.226 20 30 FIEDMM C=CCCS(=O)(=O)[N-]c1cccnc1Oc1ccc(Cl)cc1Cl ZINC000475831553 1102120460 /nfs/dbraw/zinc/12/04/60/1102120460.db2.gz LOBFBWROISAQNJ-UHFFFAOYSA-N -1 1 373.261 4.499 20 30 FIEDMM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)cc1 ZINC000506800483 1102132747 /nfs/dbraw/zinc/13/27/47/1102132747.db2.gz ZIOCDXPTKPQOPY-UHFFFAOYSA-N -1 1 364.854 4.047 20 30 FIEDMM N#Cc1cccc(OC2CCN(C(=O)c3cc4ccccc4cc3[O-])CC2)c1 ZINC000104918297 1102638557 /nfs/dbraw/zinc/63/85/57/1102638557.db2.gz UCWGJQZSLLACSD-UHFFFAOYSA-N -1 1 372.424 4.101 20 30 FIEDMM CSc1[n-]c(=O)c(C(=O)Nc2ccccc2-c2ccccc2)cc1C#N ZINC000476741306 1102745497 /nfs/dbraw/zinc/74/54/97/1102745497.db2.gz RGJOTKAEVBVXOP-UHFFFAOYSA-N -1 1 361.426 4.300 20 30 FIEDMM C[C@@H]1[C@@H](C(=O)[N-][C@H](c2ccccc2C(F)(F)F)C(F)(F)F)C1(F)F ZINC000461083534 1104083195 /nfs/dbraw/zinc/08/31/95/1104083195.db2.gz DZEJPHYXPLQSBZ-WHFVKQHSSA-N -1 1 361.232 4.326 20 30 FIEDMM CCOc1cc(-c2noc(-c3ccc(CC#N)cc3)n2)cc(Cl)c1[O-] ZINC000445425481 1108735600 /nfs/dbraw/zinc/73/56/00/1108735600.db2.gz DHCJQCPWPWUHBJ-UHFFFAOYSA-N -1 1 355.781 4.227 20 30 FIEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(C)cc(C)cc1C ZINC000462107138 1111495137 /nfs/dbraw/zinc/49/51/37/1111495137.db2.gz ZNIKWRYEFAKEGK-UHFFFAOYSA-N -1 1 357.479 4.106 20 30 FIEDMM CC[C@@H](C)n1ncc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)c1C ZINC000482571553 1113300147 /nfs/dbraw/zinc/30/01/47/1113300147.db2.gz CCFFBZRTUHPISK-YPMHNXCESA-N -1 1 371.391 4.397 20 30 FIEDMM CCOc1nc(C)ccc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000482572429 1113300208 /nfs/dbraw/zinc/30/02/08/1113300208.db2.gz DPFMYKFTNGHJRT-CYBMUJFWSA-N -1 1 370.359 4.024 20 30 FIEDMM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000589591066 1114813824 /nfs/dbraw/zinc/81/38/24/1114813824.db2.gz QLXKSUAWUOQFCZ-UHFFFAOYSA-N -1 1 354.475 4.405 20 30 FIEDMM C=CCOc1ccc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)cc1 ZINC000592973350 1115272296 /nfs/dbraw/zinc/27/22/96/1115272296.db2.gz DMOCLYBGYUAHTM-OAHLLOKOSA-N -1 1 352.390 4.490 20 30 FIEDMM CC(C)(C#N)c1ccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)n[nH]2)cc1 ZINC000593276541 1115316409 /nfs/dbraw/zinc/31/64/09/1115316409.db2.gz SRCNBAOOIPXFHL-UHFFFAOYSA-N -1 1 372.494 4.059 20 30 FIEDMM C[C@H]1c2c(C#N)c([N-]C(=O)c3ncoc3-c3ccon3)sc2CC[C@@H]1C ZINC000598849277 1115762101 /nfs/dbraw/zinc/76/21/01/1115762101.db2.gz ZTCBTAPBMWZJHG-VHSXEESVSA-N -1 1 368.418 4.201 20 30 FIEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)ccc1Cl ZINC000603970238 1115835333 /nfs/dbraw/zinc/83/53/33/1115835333.db2.gz WQQXDPCXQOSINE-UHFFFAOYSA-N -1 1 360.744 4.031 20 30 FIEDMM N#Cc1ccc(C(=O)N(CCc2ccc(Cl)cc2)CC2CC2)cc1[O-] ZINC000442973963 1116336891 /nfs/dbraw/zinc/33/68/91/1116336891.db2.gz OSKPPTCBZZFAOA-UHFFFAOYSA-N -1 1 354.837 4.012 20 30 FIEDMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000443402153 1118227093 /nfs/dbraw/zinc/22/70/93/1118227093.db2.gz XRLSRLRWDGYVIA-UHFFFAOYSA-N -1 1 374.771 4.340 20 30 FIEDMM CCCn1ccc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)cc21 ZINC000460834924 1119075197 /nfs/dbraw/zinc/07/51/97/1119075197.db2.gz XPNISKYOHHOZBI-UHFFFAOYSA-N -1 1 373.865 4.377 20 30 FIEDMM CCC[C@H](C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3)C(C)C ZINC000153139004 1120028452 /nfs/dbraw/zinc/02/84/52/1120028452.db2.gz BPJXELIZWIIKPN-JSGCOSHPSA-N -1 1 371.506 4.112 20 30 FIEDMM Oc1ccc(C=NNc2ccc(C(F)(F)F)cn2)cc1Br ZINC000915917837 1121348326 /nfs/dbraw/zinc/34/83/26/1121348326.db2.gz QFKXOYAVBVWQRO-UHFFFAOYSA-N -1 1 360.133 4.015 20 30 FIEDMM CC(=NN=c1[nH]c2ccccc2n1C)c1ccc(-c2ccc(C(=O)[O-])o2)cc1 ZINC000915971233 1121358859 /nfs/dbraw/zinc/35/88/59/1121358859.db2.gz KERMZQVGMQDMEW-UHFFFAOYSA-N -1 1 374.400 4.368 20 30 FIEDMM CC(N=Nc1ccccc1C(F)(F)F)c1cccc(OCC(=O)[O-])c1 ZINC000916259856 1121455128 /nfs/dbraw/zinc/45/51/28/1121455128.db2.gz NVJYJZGRGNYRIV-UHFFFAOYSA-N -1 1 352.312 4.005 20 30 FIEDMM Cc1nc2sc3c(c2c(NN=Cc2ccccc2C(=O)[O-])n1)CCCC3 ZINC000916606072 1121560392 /nfs/dbraw/zinc/56/03/92/1121560392.db2.gz INWMRXUXMJHZFO-UHFFFAOYSA-N -1 1 366.446 4.023 20 30 FIEDMM CC(C)[C@H](SCc1ccccc1)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000066629119 1122080052 /nfs/dbraw/zinc/08/00/52/1122080052.db2.gz ANRLFGHDMNEOQF-NSHDSACASA-N -1 1 358.389 4.370 20 30 FIEDMM CCCCc1oc2ccccc2c1C=CC(=O)c1c([O-])cc(C)oc1=O ZINC000917209869 1122224396 /nfs/dbraw/zinc/22/43/96/1122224396.db2.gz BIBNCWMNPBVLEZ-JPMGXVIASA-N -1 1 352.386 4.004 20 30 FIEDMM CC(=NNc1ccccc1C(=O)[O-])c1ccc(OCC(F)(F)F)cc1 ZINC000920483143 1123462591 /nfs/dbraw/zinc/46/25/91/1123462591.db2.gz WCSJALKRCBBYAA-UHFFFAOYSA-N -1 1 352.312 4.162 20 30 FIEDMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3C)cc2)cs1 ZINC000610123220 1123947507 /nfs/dbraw/zinc/94/75/07/1123947507.db2.gz PSVNMBJUAWLXGG-UHFFFAOYSA-N -1 1 369.471 4.099 20 30 FIEDMM COc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)c(OCc2ccccc2)c1 ZINC000615284218 1123981618 /nfs/dbraw/zinc/98/16/18/1123981618.db2.gz VDFJWNAODUUCLZ-UHFFFAOYSA-N -1 1 374.396 4.104 20 30 FIEDMM CC(C=C(C)c1nc(C)c(C#N)c(=O)[n-]1)=Cc1ccccc1OC(F)F ZINC000568041574 567818964 /nfs/dbraw/zinc/81/89/64/567818964.db2.gz IZFNMEUAVXBEJK-NFDHXRNHSA-N -1 1 357.360 4.471 20 30 FIEDMM C[C@H](C#N)CSc1ccccc1[N-]C(=O)c1coc(C(F)(F)F)n1 ZINC000602098996 567926496 /nfs/dbraw/zinc/92/64/96/567926496.db2.gz ZLVJZEHRQZMKTE-SECBINFHSA-N -1 1 355.341 4.197 20 30 FIEDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)c2ccccc12 ZINC000570328160 568469978 /nfs/dbraw/zinc/46/99/78/568469978.db2.gz GQGSXXSZIRQWGK-UHFFFAOYSA-N -1 1 370.405 4.050 20 30 FIEDMM O=C(NC(CCC(F)(F)F)CCC(F)(F)F)c1c([O-])cccc1F ZINC000619126695 1125475972 /nfs/dbraw/zinc/47/59/72/1125475972.db2.gz LZLSVDMQAMJKRZ-UHFFFAOYSA-N -1 1 361.257 4.315 20 30 FIEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccccc2NC2CCCCC2)c1 ZINC000619463475 1125595987 /nfs/dbraw/zinc/59/59/87/1125595987.db2.gz FWOSRPDQGKKQGE-UHFFFAOYSA-N -1 1 369.490 4.298 20 30 FIEDMM N#CC(=C([O-])c1ccc2[nH]c(=O)oc2c1)c1nc(-c2ccccc2)cs1 ZINC000619753879 1125681040 /nfs/dbraw/zinc/68/10/40/1125681040.db2.gz RWGZZHMQGIXLNC-ZDUSSCGKSA-N -1 1 361.382 4.147 20 30 FIEDMM COc1ccc2c(c1)CC/C(=C/c1ccc([O-])c(Br)c1)C2=O ZINC000022345913 1082679765 /nfs/dbraw/zinc/67/97/65/1082679765.db2.gz NSDQJXFQVQBIRE-JYRVWZFOSA-N -1 1 359.219 4.376 20 30 FIEDMM N#CC(=C([O-])c1ccc(Br)c(F)c1)c1nc(C2CC2)cs1 ZINC000647377301 1083372125 /nfs/dbraw/zinc/37/21/25/1083372125.db2.gz BZKHDCCENDXFCK-JTQLQIEISA-N -1 1 365.227 4.412 20 30 FIEDMM N#CC(=C([O-])c1ccc2c(c1)CCCCC2=O)c1nc(C2CC2)cs1 ZINC000647379657 1083376333 /nfs/dbraw/zinc/37/63/33/1083376333.db2.gz BCCNPAGCIMURKU-INIZCTEOSA-N -1 1 350.443 4.420 20 30 FIEDMM CCCOc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c(OC)c1 ZINC000647380035 1083376981 /nfs/dbraw/zinc/37/69/81/1083376981.db2.gz DYKRJUSJNQDIQH-HNNXBMFYSA-N -1 1 356.447 4.308 20 30 FIEDMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)c2ccccc12 ZINC000431191998 1083471173 /nfs/dbraw/zinc/47/11/73/1083471173.db2.gz KFDCKILBGCJKGL-UHFFFAOYSA-N -1 1 366.442 4.219 20 30 FIEDMM N#CCCCOc1cccc([N-]S(=O)(=O)c2cccc(C(F)F)c2)c1 ZINC000780374942 1083499334 /nfs/dbraw/zinc/49/93/34/1083499334.db2.gz TUSVTXBCBDEUGH-UHFFFAOYSA-N -1 1 366.389 4.108 20 30 FIEDMM N#CCc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000193361365 1083548917 /nfs/dbraw/zinc/54/89/17/1083548917.db2.gz FDTFNRGXNUXCKS-UHFFFAOYSA-N -1 1 374.771 4.226 20 30 FIEDMM Cc1ccc(Sc2nsc([N-]C(=O)c3cc(C#N)cs3)n2)cc1 ZINC000084406104 1084114785 /nfs/dbraw/zinc/11/47/85/1084114785.db2.gz QNTXDUZLOUVICN-UHFFFAOYSA-N -1 1 358.473 4.183 20 30 FIEDMM CCn1c2ccccc2c2cc(C=CC(=O)c3c([O-])cc(C)oc3=O)ccc21 ZINC000003582351 1085128242 /nfs/dbraw/zinc/12/82/42/1085128242.db2.gz LFIQHMMZPFAVTC-XBFAEUMISA-N -1 1 373.408 4.043 20 30 FIEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc3sccc3c2)n1 ZINC000473122593 1085689463 /nfs/dbraw/zinc/68/94/63/1085689463.db2.gz ZXVAEBIHMCIFFZ-LBPRGKRZSA-N -1 1 356.428 4.025 20 30 FIEDMM COc1cc(/C=C2\CCc3ccc([N+](=O)[O-])cc3C2=O)cc(Cl)c1[O-] ZINC000588598496 1087358371 /nfs/dbraw/zinc/35/83/71/1087358371.db2.gz HBYHMOFGIZEJAW-WUXMJOGZSA-N -1 1 359.765 4.175 20 30 FIEDMM N#Cc1ccc(C(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)cc1O ZINC000189088789 1088406737 /nfs/dbraw/zinc/40/67/37/1088406737.db2.gz QUXDSXFSBSIDHE-UHFFFAOYSA-N -1 1 357.580 4.182 20 30 FIEDMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccnn3CC(F)F)n2)cc1 ZINC000434616186 1088865935 /nfs/dbraw/zinc/86/59/35/1088865935.db2.gz OXGCMTPRDYXMPU-CYBMUJFWSA-N -1 1 372.400 4.070 20 30 FIEDMM CC(=Cc1ccc(-c2cccc(F)c2F)o1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435337055 1089544172 /nfs/dbraw/zinc/54/41/72/1089544172.db2.gz SXOAWJYYURBMTQ-CSKARUKUSA-N -1 1 353.328 4.049 20 30 FIEDMM Cc1csc(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)c2)n1 ZINC000435737149 1089916293 /nfs/dbraw/zinc/91/62/93/1089916293.db2.gz FDPILVHRZUCOQM-UHFFFAOYSA-N -1 1 369.471 4.099 20 30 FIEDMM Cc1cc(S(=O)(=O)[N-]c2cc(-c3ccncc3)ccc2C)ccc1C#N ZINC000435738279 1089918535 /nfs/dbraw/zinc/91/85/35/1089918535.db2.gz QIEZSICWVARKRA-UHFFFAOYSA-N -1 1 363.442 4.038 20 30 FIEDMM N#CC(=C([O-])c1ccc2c(c1)CCC(=O)N2)c1nc(-c2ccccc2)cs1 ZINC000041533524 1090235087 /nfs/dbraw/zinc/23/50/87/1090235087.db2.gz BQNGGUIIRCGREU-MRXNPFEDSA-N -1 1 373.437 4.185 20 30 FIEDMM CCc1oc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1C ZINC000162474349 1090973349 /nfs/dbraw/zinc/97/33/49/1090973349.db2.gz NQJZUFIDMITBTI-ZDUSSCGKSA-N -1 1 365.216 4.418 20 30 FIEDMM Cc1ccccc1C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000047362475 1091695476 /nfs/dbraw/zinc/69/54/76/1091695476.db2.gz CUBCWNSUQJTATI-CQSZACIVSA-N -1 1 363.442 4.074 20 30 FIEDMM CSc1nc(C([O-])=C(C#N)c2nc3ccccc3s2)c2ccccn12 ZINC000442615153 1092689128 /nfs/dbraw/zinc/68/91/28/1092689128.db2.gz ISNNRTKETSGRPY-LLVKDONJSA-N -1 1 364.455 4.156 20 30 FIEDMM N#Cc1ccc(C(=O)N[C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)cc1[O-] ZINC000443110973 1092945508 /nfs/dbraw/zinc/94/55/08/1092945508.db2.gz PLAMXPXVRUWPJM-RDJZCZTQSA-N -1 1 374.362 4.349 20 30 FIEDMM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000512834896 1093437874 /nfs/dbraw/zinc/43/78/74/1093437874.db2.gz SKIURCHGHAVVBQ-LBPRGKRZSA-N -1 1 364.854 4.190 20 30 FIEDMM Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614365547 1093766420 /nfs/dbraw/zinc/76/64/20/1093766420.db2.gz VDQSIRLYGKNCBU-LBPRGKRZSA-N -1 1 363.442 4.187 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)c1 ZINC000614365571 1093766735 /nfs/dbraw/zinc/76/67/35/1093766735.db2.gz YTIDWHXMRWJAFH-UHFFFAOYSA-N -1 1 356.809 4.491 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)N(Cc2cc(F)ccc2F)C2CCCC2)c1 ZINC000614372279 1093773254 /nfs/dbraw/zinc/77/32/54/1093773254.db2.gz IOBWEDQLOJYMOS-UHFFFAOYSA-N -1 1 356.372 4.127 20 30 FIEDMM C=CCN(CCc1ccccc1)C(=O)c1ccc(Br)cc1[O-] ZINC000436540820 1099105502 /nfs/dbraw/zinc/10/55/02/1099105502.db2.gz QXMMRJZRYBLNOK-UHFFFAOYSA-N -1 1 360.251 4.026 20 30 FIEDMM N#CC(=C([O-])c1cc2nc[nH]c2cc1F)c1nc2cc(Cl)ccc2s1 ZINC000436695795 1099229232 /nfs/dbraw/zinc/22/92/32/1099229232.db2.gz FZKHILPSJXAPRF-JTQLQIEISA-N -1 1 370.796 4.455 20 30 FIEDMM CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436762184 1099277277 /nfs/dbraw/zinc/27/72/77/1099277277.db2.gz CMMOJAOHAFJFJS-UHFFFAOYSA-N -1 1 362.351 4.335 20 30 FIEDMM CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436795272 1099327390 /nfs/dbraw/zinc/32/73/90/1099327390.db2.gz QKHGFIIZAKMUNH-UHFFFAOYSA-N -1 1 362.351 4.333 20 30 FIEDMM Cc1ccc(OC[C@H](C)O/C(=N\[O-])c2ccccc2Br)cc1 ZINC001223885727 1099708283 /nfs/dbraw/zinc/70/82/83/1099708283.db2.gz IJCWOBVJLIDIGB-HDRCJFCASA-N -1 1 364.239 4.377 20 30 FIEDMM CC(C)c1nc2ccc([N-]S(=O)(=O)c3ccccc3CC#N)cc2s1 ZINC000475787614 1101817291 /nfs/dbraw/zinc/81/72/91/1101817291.db2.gz DVJGKFYRQBDFOL-UHFFFAOYSA-N -1 1 371.487 4.287 20 30 FIEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(OC2CCCCC2)cc1 ZINC000475797663 1101867756 /nfs/dbraw/zinc/86/77/56/1101867756.db2.gz OEJUUNRAVJIISO-UHFFFAOYSA-N -1 1 370.474 4.265 20 30 FIEDMM Cc1ccc(CN(Cc2ccco2)C(=O)c2ccc(C#N)c([O-])c2)s1 ZINC000191055952 1101915989 /nfs/dbraw/zinc/91/59/89/1101915989.db2.gz RPDUXPGRCFPJPP-UHFFFAOYSA-N -1 1 352.415 4.069 20 30 FIEDMM N#CC(=C([O-])C=Cc1cc(C(F)(F)F)ccc1Cl)c1ccncn1 ZINC000760353476 1101934876 /nfs/dbraw/zinc/93/48/76/1101934876.db2.gz PYKICWSWXRCMJI-FXZDBVEHSA-N -1 1 351.715 4.038 20 30 FIEDMM Cc1ccc(-c2cccnc2)cc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000475827573 1102044827 /nfs/dbraw/zinc/04/48/27/1102044827.db2.gz OYFUOHFDYGQRPK-UHFFFAOYSA-N -1 1 363.442 4.038 20 30 FIEDMM Cc1ccc(-c2ccc(C)c([N-]S(=O)(=O)c3cccc(C#N)c3)c2)o1 ZINC000475828388 1102103278 /nfs/dbraw/zinc/10/32/78/1102103278.db2.gz PQSITFRQORSOLA-UHFFFAOYSA-N -1 1 352.415 4.236 20 30 FIEDMM O=S(=O)([N-]c1cc(F)c(F)cc1F)c1ccc(F)cc1C(F)(F)F ZINC000105389566 1103027787 /nfs/dbraw/zinc/02/77/87/1103027787.db2.gz NPQYYMVCKRGHCQ-UHFFFAOYSA-N -1 1 373.249 4.063 20 30 FIEDMM N#Cc1ccc(C(=O)N(Cc2ccc(F)cc2Cl)CC2CC2)cc1[O-] ZINC000553063825 1111898296 /nfs/dbraw/zinc/89/82/96/1111898296.db2.gz QXVROMFJPGJDSR-UHFFFAOYSA-N -1 1 358.800 4.109 20 30 FIEDMM C=CCCOCCCCC(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000482643268 1113318963 /nfs/dbraw/zinc/31/89/63/1113318963.db2.gz VMDBVKHYDAKBHG-UHFFFAOYSA-N -1 1 356.260 4.165 20 30 FIEDMM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)oc1C ZINC000128708046 1113324903 /nfs/dbraw/zinc/32/49/03/1113324903.db2.gz PSTZNYGOHXOZDN-ZDUSSCGKSA-N -1 1 364.373 4.172 20 30 FIEDMM CN1CCc2ccc(C([O-])=C(C#N)c3nc(-c4ccccc4)cs3)cc21 ZINC000570359635 1114056874 /nfs/dbraw/zinc/05/68/74/1114056874.db2.gz IEHVCAFJDMHCCL-KRWDZBQOSA-N -1 1 359.454 4.292 20 30 FIEDMM N#Cc1cc(F)c(C(=O)[N-]c2cc(F)cc(Br)c2F)c(F)c1 ZINC000489367409 1114094215 /nfs/dbraw/zinc/09/42/15/1114094215.db2.gz SZMHVSUZVNXYJS-UHFFFAOYSA-N -1 1 373.103 4.129 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000586869004 1114402091 /nfs/dbraw/zinc/40/20/91/1114402091.db2.gz XLAMWPNPWCAFNT-OAHLLOKOSA-N -1 1 374.362 4.302 20 30 FIEDMM CSCCc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)cc1 ZINC000593206038 1115306613 /nfs/dbraw/zinc/30/66/13/1115306613.db2.gz QXVOVKCBUIOEQV-UHFFFAOYSA-N -1 1 374.531 4.194 20 30 FIEDMM Cc1cc(COc2ccc(-c3nc4ccc(C#N)cc4[nH]3)cc2)oc1C(=O)[O-] ZINC000534639739 1116219479 /nfs/dbraw/zinc/21/94/79/1116219479.db2.gz LSIRWKDVGCHFCL-UHFFFAOYSA-N -1 1 373.368 4.280 20 30 FIEDMM COc1ccccc1-c1ccc([C@@H](C)NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000443277562 1117875295 /nfs/dbraw/zinc/87/52/95/1117875295.db2.gz TYHTVDNJBAKBIY-OAHLLOKOSA-N -1 1 372.424 4.430 20 30 FIEDMM CC(C)COc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1Cl ZINC000030532186 1119018043 /nfs/dbraw/zinc/01/80/43/1119018043.db2.gz DSPHDBWRXAHQTH-UHFFFAOYSA-N -1 1 364.854 4.047 20 30 FIEDMM N#Cc1ccc(OCc2ccc(C(=O)[N-]c3c(F)cc(F)cc3F)o2)cc1 ZINC000443914706 1119080953 /nfs/dbraw/zinc/08/09/53/1119080953.db2.gz UDNYDXZREZHGPW-UHFFFAOYSA-N -1 1 372.302 4.400 20 30 FIEDMM CC(C)c1csc(C(C#N)=C([O-])c2cccc(OC[C@H]3CCCO3)c2)n1 ZINC000177777371 1119350906 /nfs/dbraw/zinc/35/09/06/1119350906.db2.gz LTLYHFXUAMDENP-IAGOWNOFSA-N -1 1 370.474 4.314 20 30 FIEDMM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(OC)c(F)c1 ZINC000191568762 1119984570 /nfs/dbraw/zinc/98/45/70/1119984570.db2.gz PYXDIKISHPJSHL-UHFFFAOYSA-N -1 1 363.454 4.487 20 30 FIEDMM Cc1c(C(=O)[O-])oc2c1C(=NNc1ncc(Cl)cc1Cl)CCC2 ZINC000915947327 1121352384 /nfs/dbraw/zinc/35/23/84/1121352384.db2.gz PQEGEKSDZVKNGI-UHFFFAOYSA-N -1 1 354.193 4.141 20 30 FIEDMM COc1ccc(-c2ccc(/C=C\C(=O)c3ccc([O-])cc3)o2)c([N+](=O)[O-])c1 ZINC000916134880 1121427845 /nfs/dbraw/zinc/42/78/45/1121427845.db2.gz RALFSVODJHQRKF-YFHOEESVSA-N -1 1 365.341 4.465 20 30 FIEDMM C=CCC(CC=C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000123521250 1121611389 /nfs/dbraw/zinc/61/13/89/1121611389.db2.gz NDLKXHGDOVRKTR-UHFFFAOYSA-N -1 1 370.474 4.194 20 30 FIEDMM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1ccc(C(C)=O)s1 ZINC000916903708 1121914845 /nfs/dbraw/zinc/91/48/45/1121914845.db2.gz QVORSRRFOPLSKW-OAHLLOKOSA-N -1 1 368.458 4.037 20 30 FIEDMM Cc1ccoc1C([O-])=C(C#N)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000916906045 1121929979 /nfs/dbraw/zinc/92/99/79/1121929979.db2.gz BBCDDTZCDHUGLB-INIZCTEOSA-N -1 1 360.369 4.342 20 30 FIEDMM N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc([O-])c(Cl)c3)o2)cc1 ZINC000111667248 1121961412 /nfs/dbraw/zinc/96/14/12/1121961412.db2.gz QWASCMWWEMLRSR-UHFFFAOYSA-N -1 1 368.776 4.342 20 30 FIEDMM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C(C)=O)s2)cc1 ZINC000916956375 1121968253 /nfs/dbraw/zinc/96/82/53/1121968253.db2.gz ZUZKTFONRZXNIT-MLGOLLRUSA-N -1 1 368.458 4.425 20 30 FIEDMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2S[C@H](C)CC#N)cc1C ZINC000066814247 1122098870 /nfs/dbraw/zinc/09/88/70/1122098870.db2.gz PWSRZDZBSHJLCO-OAHLLOKOSA-N -1 1 360.504 4.499 20 30 FIEDMM CCCCc1oc2ccccc2c1C=CC(=O)c1c([O-])cc(C)oc1=O ZINC000917209865 1122224047 /nfs/dbraw/zinc/22/40/47/1122224047.db2.gz BIBNCWMNPBVLEZ-CFGKVWFZSA-N -1 1 352.386 4.004 20 30 FIEDMM Cc1nc(-c2ccccc2)oc1C([O-])=C(C#N)c1nc2cccc(C)c2[nH]1 ZINC000498027029 1122525122 /nfs/dbraw/zinc/52/51/22/1122525122.db2.gz OHNZMKMFENNZPL-OAHLLOKOSA-N -1 1 356.385 4.325 20 30 FIEDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(COc2ccccc2)cc1 ZINC000072673398 1123120277 /nfs/dbraw/zinc/12/02/77/1123120277.db2.gz SKGDLOOCXOQYFV-UHFFFAOYSA-N -1 1 362.311 4.039 20 30 FIEDMM Cc1ccc(/C=C\S(=O)(=O)[N-]c2cc(C#N)ccc2OC(C)C)cc1 ZINC000919960370 1123286031 /nfs/dbraw/zinc/28/60/31/1123286031.db2.gz SXJDTCBGGSINRU-KHPPLWFESA-N -1 1 356.447 4.067 20 30 FIEDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)C1c2ccccc2Oc2ccccc21 ZINC000078379925 1123769496 /nfs/dbraw/zinc/76/94/96/1123769496.db2.gz AUSICPLHSIWUKF-UHFFFAOYSA-N -1 1 360.295 4.349 20 30 FIEDMM COc1ccc(C(=O)/C=C/c2ccc([O-])c(Cl)c2)cc1Cn1cccn1 ZINC000175328565 1123833412 /nfs/dbraw/zinc/83/34/12/1123833412.db2.gz NSCXLFYWVYAUSD-ZZXKWVIFSA-N -1 1 368.820 4.195 20 30 FIEDMM C[C@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000108251917 1124270021 /nfs/dbraw/zinc/27/00/21/1124270021.db2.gz JLBCCUDHNQQCRB-CQSZACIVSA-N -1 1 372.515 4.228 20 30 FIEDMM CCc1ccc(S(=O)(=O)[N-]c2ccccc2SC[C@H](C)C#N)cc1 ZINC000108251926 1124271115 /nfs/dbraw/zinc/27/11/15/1124271115.db2.gz GAGDXWSUMZAKLD-CQSZACIVSA-N -1 1 360.504 4.302 20 30 FIEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(OC2CCCC2)c(F)c1 ZINC000303966894 1124523912 /nfs/dbraw/zinc/52/39/12/1124523912.db2.gz QQEPWCKKZDRNPB-UHFFFAOYSA-N -1 1 374.437 4.128 20 30 FIEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(OC2CCCC2)c(F)c1 ZINC000303971672 1124525560 /nfs/dbraw/zinc/52/55/60/1124525560.db2.gz SYJXAYZBWYXMJT-UHFFFAOYSA-N -1 1 374.437 4.128 20 30 FIEDMM CC[C@H](C)n1ncc(C([O-])=C(C#N)c2nc3ccccc3n2C)c1C1CC1 ZINC000089964394 1124971942 /nfs/dbraw/zinc/97/19/42/1124971942.db2.gz XABPWXQCQAAHQP-DZGCQCFKSA-N -1 1 361.449 4.108 20 30 FIEDMM C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000066814345 568071078 /nfs/dbraw/zinc/07/10/78/568071078.db2.gz BQKWRRBJWZSMQY-LBPRGKRZSA-N -1 1 350.440 4.021 20 30 FIEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)c1 ZINC000619461137 1125596469 /nfs/dbraw/zinc/59/64/69/1125596469.db2.gz FXHYWERVLODRNE-UHFFFAOYSA-N -1 1 364.426 4.346 20 30 FIEDMM Cc1cc(C(=O)/C=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1[O-] ZINC000728232456 1080725238 /nfs/dbraw/zinc/72/52/38/1080725238.db2.gz SVLDFVVGNUAARP-RMKNXTFCSA-N -1 1 366.417 4.495 20 30 FIEDMM N#Cc1cnn(-c2ccc(Br)cc2)c1Nc1ccc(F)c([O-])c1 ZINC001211215496 1082023658 /nfs/dbraw/zinc/02/36/58/1082023658.db2.gz RYKRGLNTRLMODZ-UHFFFAOYSA-N -1 1 373.185 4.095 20 30 FIEDMM COCCn1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c2ccccc21 ZINC000647377516 1083373749 /nfs/dbraw/zinc/37/37/49/1083373749.db2.gz QSPUCXXJJXEKMT-OAHLLOKOSA-N -1 1 365.458 4.112 20 30 FIEDMM N#CC(=C([O-])c1ccc(OC(F)F)c(F)c1)c1nc(C2CC2)cs1 ZINC000647379988 1083376860 /nfs/dbraw/zinc/37/68/60/1083376860.db2.gz AYLXUGYMJSHDQU-JTQLQIEISA-N -1 1 352.337 4.251 20 30 FIEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000431180344 1083388521 /nfs/dbraw/zinc/38/85/21/1083388521.db2.gz GTBNJAYDLXMWRB-UHFFFAOYSA-N -1 1 374.771 4.340 20 30 FIEDMM COc1cccc(-c2nc(/C=C\C(=O)c3cc(O)ccc3[O-])cs2)c1 ZINC000255832238 1083564445 /nfs/dbraw/zinc/56/44/45/1083564445.db2.gz ROVSPTJBPLILED-ALCCZGGFSA-N -1 1 353.399 4.126 20 30 FIEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2cccc(C(=O)CC)c2)c1 ZINC000448127754 1086958615 /nfs/dbraw/zinc/95/86/15/1086958615.db2.gz ZNVFWSXVTVZVIZ-UHFFFAOYSA-N -1 1 359.447 4.035 20 30 FIEDMM O=C1c2cc(Br)ccc2OCC/C1=C/c1ccc([O-])c(F)c1 ZINC000755587235 1087432216 /nfs/dbraw/zinc/43/22/16/1087432216.db2.gz QGEPMCPXFJCVNG-XFFZJAGNSA-N -1 1 363.182 4.343 20 30 FIEDMM N#Cc1ccc(C(=O)N2CCCCC[C@@H]2/C=C/c2cccs2)cc1[O-] ZINC000443121422 1092953268 /nfs/dbraw/zinc/95/32/68/1092953268.db2.gz WSIIIDYIPFNRAX-OAGJVSPASA-N -1 1 352.459 4.424 20 30 FIEDMM N#Cc1ccc(C(=O)N2CCCCC[C@@H]2/C=C\c2cccs2)cc1[O-] ZINC000443121410 1092953297 /nfs/dbraw/zinc/95/32/97/1092953297.db2.gz WSIIIDYIPFNRAX-DOOKAGJSSA-N -1 1 352.459 4.424 20 30 FIEDMM N#CC(=C([O-])c1ccc(C(F)(F)F)cn1)c1ccc(C(F)(F)F)cn1 ZINC000513198014 1094000295 /nfs/dbraw/zinc/00/02/95/1094000295.db2.gz XQGGEJAFODLIDE-SNVBAGLBSA-N -1 1 359.229 4.004 20 30 FIEDMM CC(=NNc1cccc([N+](=O)[O-])c1C)c1cc(Br)ccc1[O-] ZINC000727972844 1095087686 /nfs/dbraw/zinc/08/76/86/1095087686.db2.gz HPCLQMHLXOPHNC-UHFFFAOYSA-N -1 1 364.199 4.207 20 30 FIEDMM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436750875 1099284376 /nfs/dbraw/zinc/28/43/76/1099284376.db2.gz ICRQJPPLIBZCJD-DLBZAZTESA-N -1 1 374.362 4.323 20 30 FIEDMM C=C[C@](C)(CC)c1nc(-c2cc(Br)c([O-])c(OCC)c2)no1 ZINC000436870404 1099383448 /nfs/dbraw/zinc/38/34/48/1099383448.db2.gz HSEOSRFRLGTMMO-MRXNPFEDSA-N -1 1 367.243 4.457 20 30 FIEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccc(C#N)cc3)c2)cc1 ZINC000517158141 1100133862 /nfs/dbraw/zinc/13/38/62/1100133862.db2.gz FIGFDFLAWWLUMV-UHFFFAOYSA-N -1 1 364.426 4.460 20 30 FIEDMM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1F)c1ccc(F)c(F)c1F ZINC000102748305 1101996585 /nfs/dbraw/zinc/99/65/85/1101996585.db2.gz KHHYBNJVZWABRI-UHFFFAOYSA-N -1 1 373.249 4.063 20 30 FIEDMM CC(C)c1ccc(CC=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)cc1 ZINC000760248646 1102092179 /nfs/dbraw/zinc/09/21/79/1102092179.db2.gz IJRWMXIQGGPTSZ-UHFFFAOYSA-N -1 1 366.469 4.051 20 30 FIEDMM O=C(COc1ccc(Cl)c2ccccc12)Nc1n[n-]c(C(F)(F)F)n1 ZINC000026253817 1102521486 /nfs/dbraw/zinc/52/14/86/1102521486.db2.gz WNEVURFRDOZOCI-UHFFFAOYSA-N -1 1 370.718 4.297 20 30 FIEDMM C=C[C@H](CC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000129614251 1102798488 /nfs/dbraw/zinc/79/84/88/1102798488.db2.gz KCVCLEVXKCGSIK-QGZVFWFLSA-N -1 1 363.457 4.173 20 30 FIEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc(-c3csnn3)cc2)s1 ZINC000529009254 1110175904 /nfs/dbraw/zinc/17/59/04/1110175904.db2.gz NGICNFIPQRXNAW-ZDUSSCGKSA-N -1 1 368.487 4.449 20 30 FIEDMM CCOc1cc(C(=O)Nc2cc(C#N)ccc2NC2CC2)cc(Cl)c1[O-] ZINC000538819219 1111308848 /nfs/dbraw/zinc/30/88/48/1111308848.db2.gz HPUQXQUCOPNKGF-UHFFFAOYSA-N -1 1 371.824 4.143 20 30 FIEDMM N#Cc1cccc([N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)c1 ZINC000488212520 1113881323 /nfs/dbraw/zinc/88/13/23/1113881323.db2.gz AZBYPTPWMLGASQ-UHFFFAOYSA-N -1 1 360.744 4.031 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)N(Cc2ccccc2C(F)(F)F)CC2CC2)c1 ZINC000586866617 1114401551 /nfs/dbraw/zinc/40/15/51/1114401551.db2.gz PDPKQJXYYLBDKU-UHFFFAOYSA-N -1 1 374.362 4.335 20 30 FIEDMM CCc1ccc(Cl)c(CC)c1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000589589235 1114813792 /nfs/dbraw/zinc/81/37/92/1114813792.db2.gz GPZFUQSUFCEGJJ-UHFFFAOYSA-N -1 1 362.882 4.332 20 30 FIEDMM CC(C)Oc1cccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1 ZINC000593215668 1115307018 /nfs/dbraw/zinc/30/70/18/1115307018.db2.gz MCDPELUDPFNIOI-UHFFFAOYSA-N -1 1 358.463 4.076 20 30 FIEDMM C[C@@H]1CCc2sc([N-]C(=O)c3ncoc3-c3ccon3)c(C#N)c2[C@@H]1C ZINC000598849269 1115762147 /nfs/dbraw/zinc/76/21/47/1115762147.db2.gz ZTCBTAPBMWZJHG-NXEZZACHSA-N -1 1 368.418 4.201 20 30 FIEDMM N#Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc2)cc1 ZINC000604457767 1115866664 /nfs/dbraw/zinc/86/66/64/1115866664.db2.gz SGFKBOBWISFHJD-UHFFFAOYSA-N -1 1 368.389 4.290 20 30 FIEDMM O=S(=O)([N-]c1ccc(F)c(C(F)(F)F)c1)c1cc(F)c(F)c(F)c1 ZINC000607614227 1116049225 /nfs/dbraw/zinc/04/92/25/1116049225.db2.gz IAZXRHXXWJQQNW-UHFFFAOYSA-N -1 1 373.249 4.063 20 30 FIEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cc(F)c(Cl)cc1Cl ZINC000442897944 1116329092 /nfs/dbraw/zinc/32/90/92/1116329092.db2.gz NNDPGHLALDHCRE-QMMMGPOBSA-N -1 1 353.180 4.201 20 30 FIEDMM CC(C)c1csc(C(C#N)=C([O-])c2cccc(NC(=O)[C@@H]3C[C@@H]3C)c2)n1 ZINC000177772895 1119350432 /nfs/dbraw/zinc/35/04/32/1119350432.db2.gz BUSZRARJRTZJES-APHBMKBZSA-N -1 1 367.474 4.351 20 30 FIEDMM Cc1nn(-c2ccc(F)cc2F)c(C)c1/C=C/C(=O)c1ccc([O-])cc1 ZINC000915981247 1121362112 /nfs/dbraw/zinc/36/21/12/1121362112.db2.gz MHHPHFDRYAZXSD-CSKARUKUSA-N -1 1 354.356 4.369 20 30 FIEDMM COc1ccc(C(=O)/C=C\c2ccc([O-])c(Br)c2)c(F)c1 ZINC000916142034 1121426734 /nfs/dbraw/zinc/42/67/34/1121426734.db2.gz YZFROFGZKHFEHM-KXFIGUGUSA-N -1 1 351.171 4.199 20 30 FIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3cccc(OC)c3)n2)cc1 ZINC000066544030 1122072929 /nfs/dbraw/zinc/07/29/29/1122072929.db2.gz STWMDIXWAJBCTD-KRWDZBQOSA-N -1 1 364.426 4.317 20 30 FIEDMM COc1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc1Cl ZINC000497360542 1122146919 /nfs/dbraw/zinc/14/69/19/1122146919.db2.gz DMHRQQQXPRBGCO-CYBMUJFWSA-N -1 1 369.833 4.357 20 30 FIEDMM O=C(/C=C\C1=Cc2cc(Br)ccc2OC1)c1ccc([O-])cc1 ZINC000917400345 1122289905 /nfs/dbraw/zinc/28/99/05/1122289905.db2.gz TXQDLJIHUWWEIN-XFSBKJJWSA-N -1 1 357.203 4.370 20 30 FIEDMM O=C1c2cc(F)cc(F)c2OC/C1=C\c1ccc([O-])c(Br)c1 ZINC000920065763 1123325790 /nfs/dbraw/zinc/32/57/90/1123325790.db2.gz AJUKVQGYESYJMC-YCRREMRBSA-N -1 1 367.145 4.092 20 30 FIEDMM O=C1c2cccc(Br)c2OC/C1=C\c1ccc([O-])c(Cl)c1 ZINC000921268860 1123608470 /nfs/dbraw/zinc/60/84/70/1123608470.db2.gz FMGOUCLGKYMZKU-UXBLZVDNSA-N -1 1 365.610 4.467 20 30 FIEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(-c2cccs2)c1 ZINC000610123790 1123947226 /nfs/dbraw/zinc/94/72/26/1123947226.db2.gz DFYPLHSKRBWWHT-UHFFFAOYSA-N -1 1 354.456 4.396 20 30 FIEDMM COCCn1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c2ccccc21 ZINC000080450155 1123965613 /nfs/dbraw/zinc/96/56/13/1123965613.db2.gz CCDOUJUQBIYUBN-HNNXBMFYSA-N -1 1 367.474 4.358 20 30 FIEDMM Cc1cc(C(=O)[N-]c2cc(C(F)(F)F)ccc2SCCC#N)on1 ZINC000108241783 1124268463 /nfs/dbraw/zinc/26/84/63/1124268463.db2.gz LRXDAWKPRZOZIF-UHFFFAOYSA-N -1 1 355.341 4.260 20 30 FIEDMM CCc1ccc(S(=O)(=O)[N-]c2ccccc2SC[C@@H](C)C#N)cc1 ZINC000108251924 1124270287 /nfs/dbraw/zinc/27/02/87/1124270287.db2.gz GAGDXWSUMZAKLD-AWEZNQCLSA-N -1 1 360.504 4.302 20 30 FIEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(CC(C)C)cc2)n1 ZINC000604432298 568286270 /nfs/dbraw/zinc/28/62/70/568286270.db2.gz AWAYWQXVFSRUHS-OAHLLOKOSA-N -1 1 356.447 4.008 20 30 FIEDMM N#CC(=C([O-])c1cccc(-n2cccn2)c1)c1nc2cc(F)ccc2s1 ZINC000604929517 568397908 /nfs/dbraw/zinc/39/79/08/568397908.db2.gz ARKFVRPMEFLGTM-OAHLLOKOSA-N -1 1 362.389 4.111 20 30 FIEDMM N#CCc1cccc(S(=O)(=O)[N-]c2cc(Cl)cc(C(F)(F)F)c2)c1 ZINC000619463772 1125596015 /nfs/dbraw/zinc/59/60/15/1125596015.db2.gz ARKZRMVREJNQPG-UHFFFAOYSA-N -1 1 374.771 4.226 20 30 FIEDMM Cc1c(COC(C)(C)C)cccc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619463242 1125596139 /nfs/dbraw/zinc/59/61/39/1125596139.db2.gz XOXAUZNZLJQRJZ-UHFFFAOYSA-N -1 1 372.490 4.177 20 30 FIEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000619461414 1125596373 /nfs/dbraw/zinc/59/63/73/1125596373.db2.gz YNJPUVRIBRMWAY-UHFFFAOYSA-N -1 1 374.771 4.226 20 30 FIEDMM Cc1ccc(OCc2ccccc2)c(NC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000619681866 1125655672 /nfs/dbraw/zinc/65/56/72/1125655672.db2.gz KKZANLYEAZXTEV-UHFFFAOYSA-N -1 1 358.397 4.404 20 30 FIEDMM Cc1c(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cnn1CC(C)C ZINC000179424013 1080175008 /nfs/dbraw/zinc/17/50/08/1080175008.db2.gz FGUIHIVPHZIEBL-CYBMUJFWSA-N -1 1 371.391 4.082 20 30 FIEDMM CCOCCOc1ccccc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430623378 1082741011 /nfs/dbraw/zinc/74/10/11/1082741011.db2.gz NEHNBGISYCZBBS-OAHLLOKOSA-N -1 1 372.490 4.346 20 30 FIEDMM CCn1c2ccccc2c2cc(C=CC(=O)c3c([O-])cc(C)oc3=O)ccc21 ZINC000255344361 1082763792 /nfs/dbraw/zinc/76/37/92/1082763792.db2.gz LFIQHMMZPFAVTC-NAMLBJQJSA-N -1 1 373.408 4.043 20 30 FIEDMM COc1cc(OC2CC2)ccc1C([O-])=C(C#N)c1nc(C2CC2)cs1 ZINC000647379224 1083370832 /nfs/dbraw/zinc/37/08/32/1083370832.db2.gz RFCHGQUKDCOMDE-OAHLLOKOSA-N -1 1 354.431 4.060 20 30 FIEDMM N#CC(=C([O-])c1ccc2[nH]c(C(F)F)nc2c1)c1nc(C2CC2)cs1 ZINC000647377702 1083373313 /nfs/dbraw/zinc/37/33/13/1083373313.db2.gz FHFBPFAUVVQDBW-JTQLQIEISA-N -1 1 358.373 4.324 20 30 FIEDMM N#Cc1ccc(C(=O)N2CCC(Cc3ccc(Cl)cc3)CC2)cc1[O-] ZINC001648923250 1083599048 /nfs/dbraw/zinc/59/90/48/1083599048.db2.gz HKXCWLBXRDKKQQ-UHFFFAOYSA-N -1 1 354.837 4.012 20 30 FIEDMM N#Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1C(F)(F)F ZINC000321086907 1084688118 /nfs/dbraw/zinc/68/81/18/1084688118.db2.gz MSNKBCZIWJCNHP-UHFFFAOYSA-N -1 1 360.744 4.031 20 30 FIEDMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC000480091668 1085418042 /nfs/dbraw/zinc/41/80/42/1085418042.db2.gz FPEFYHLHALINDA-UHFFFAOYSA-N -1 1 372.393 4.100 20 30 FIEDMM Cc1cnn(-c2ccc(C([O-])=C(C#N)c3nc4ccccc4s3)cc2)c1 ZINC000048824717 1085707314 /nfs/dbraw/zinc/70/73/14/1085707314.db2.gz TWCFWLGNBGRLRS-INIZCTEOSA-N -1 1 358.426 4.281 20 30 FIEDMM C=C(C)C(C)(C)C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000424589958 1088065528 /nfs/dbraw/zinc/06/55/28/1088065528.db2.gz YALHAJHFXHWNGE-UHFFFAOYSA-N -1 1 372.490 4.337 20 30 FIEDMM CC(=Cc1ccc(-c2c(F)cccc2F)o1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435337810 1089544778 /nfs/dbraw/zinc/54/47/78/1089544778.db2.gz YBYFTVMKIDGSRA-NTMALXAHSA-N -1 1 353.328 4.049 20 30 FIEDMM N#CC(=C([O-])c1cn2cc(Cl)cc(Cl)c2n1)c1nc2ccccc2[nH]1 ZINC000442001042 1092368363 /nfs/dbraw/zinc/36/83/63/1092368363.db2.gz LHCOWWWAYZDSTA-SNVBAGLBSA-N -1 1 370.199 4.007 20 30 FIEDMM CCOc1ccc([C@H](NC(=O)c2ccc(C#N)c([O-])c2)c2ccccc2)cc1 ZINC000442874901 1092821525 /nfs/dbraw/zinc/82/15/25/1092821525.db2.gz MYDITDXFDVXZJL-JOCHJYFZSA-N -1 1 372.424 4.182 20 30 FIEDMM CC(C)Oc1ccc2ccccc2c1CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000443107532 1092944960 /nfs/dbraw/zinc/94/49/60/1092944960.db2.gz GQHJLMYVINAELZ-UHFFFAOYSA-N -1 1 360.413 4.134 20 30 FIEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000443131663 1092960334 /nfs/dbraw/zinc/96/03/34/1092960334.db2.gz ROALAUGPOMOYSL-OAHLLOKOSA-N -1 1 367.408 4.294 20 30 FIEDMM O=C([N-]c1n[nH]c(-c2ccco2)n1)c1cc(-c2cccc(Cl)c2)on1 ZINC000073772633 1092984803 /nfs/dbraw/zinc/98/48/03/1092984803.db2.gz VWJHTCZIZXSHEQ-UHFFFAOYSA-N -1 1 355.741 4.009 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)c1 ZINC000614298700 1093354997 /nfs/dbraw/zinc/35/49/97/1093354997.db2.gz YYWYFIGYKRFTLR-UHFFFAOYSA-N -1 1 365.776 4.357 20 30 FIEDMM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000512834895 1093437701 /nfs/dbraw/zinc/43/77/01/1093437701.db2.gz SKIURCHGHAVVBQ-GFCCVEGCSA-N -1 1 364.854 4.190 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@@H]2c2cccc(Br)c2)c1 ZINC000614714459 1093571640 /nfs/dbraw/zinc/57/16/40/1093571640.db2.gz GGZXDIYBTBTAMW-QGZVFWFLSA-N -1 1 371.234 4.004 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1 ZINC000614358631 1093756319 /nfs/dbraw/zinc/75/63/19/1093756319.db2.gz AZZGPXBOIRSZJL-UHFFFAOYSA-N -1 1 354.369 4.059 20 30 FIEDMM Cc1csc(C(C#N)=C([O-])c2cccc(COc3ccc(C#N)cc3)c2)n1 ZINC000115900983 1094284203 /nfs/dbraw/zinc/28/42/03/1094284203.db2.gz LKRFVFPBBGLGMP-IBGZPJMESA-N -1 1 373.437 4.392 20 30 FIEDMM Cc1csc(C(C#N)=C([O-])c2cccc(NC(=O)C3CCCCC3)c2)n1 ZINC000041515291 1094640165 /nfs/dbraw/zinc/64/01/65/1094640165.db2.gz VFTVUHOFNIMFRV-KRWDZBQOSA-N -1 1 367.474 4.460 20 30 FIEDMM C=CCCC1(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)CC1 ZINC000474899732 1094886896 /nfs/dbraw/zinc/88/68/96/1094886896.db2.gz VLKCZYNWBJUIBW-UHFFFAOYSA-N -1 1 370.474 4.172 20 30 FIEDMM O=S(=O)([N-]c1cc(F)c(F)cc1F)c1ccc(C(F)(F)F)cc1F ZINC000436013762 1098636635 /nfs/dbraw/zinc/63/66/35/1098636635.db2.gz ODSWBXAHEOVWKL-UHFFFAOYSA-N -1 1 373.249 4.063 20 30 FIEDMM N#Cc1cc(F)cc(C2(c3nc(-c4ccc([O-])cc4Cl)no3)CC2)c1 ZINC000436869157 1099378580 /nfs/dbraw/zinc/37/85/80/1099378580.db2.gz LUAPISHLVYNIHL-UHFFFAOYSA-N -1 1 355.756 4.186 20 30 FIEDMM C=C(C)C[C@@H](C)c1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000436879766 1099395174 /nfs/dbraw/zinc/39/51/74/1099395174.db2.gz OFOJEBDRLQQMIS-SECBINFHSA-N -1 1 353.216 4.283 20 30 FIEDMM Cc1cc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(C)n1C ZINC000516714146 1099748806 /nfs/dbraw/zinc/74/88/06/1099748806.db2.gz QYGXOSXKOQCVBI-KRWDZBQOSA-N -1 1 360.442 4.127 20 30 FIEDMM Cc1ccccc1S(=O)(=O)[N-]c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000517925792 1100799381 /nfs/dbraw/zinc/79/93/81/1100799381.db2.gz XFQDTRADMGIVNH-UHFFFAOYSA-N -1 1 364.426 4.460 20 30 FIEDMM CCCCOc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)c(C)c1 ZINC000475809406 1101927243 /nfs/dbraw/zinc/92/72/43/1101927243.db2.gz LJDDBBPKEPQNRU-UHFFFAOYSA-N -1 1 358.463 4.041 20 30 FIEDMM COc1cc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc(Cl)c1[O-] ZINC000330712653 1104666030 /nfs/dbraw/zinc/66/60/30/1104666030.db2.gz AZSMNLURQJTGBP-NXEZZACHSA-N -1 1 351.752 4.480 20 30 FIEDMM C=CCOc1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)cc1OC ZINC000445442794 1108764727 /nfs/dbraw/zinc/76/47/27/1108764727.db2.gz AOBIDBAXVZKIQZ-UHFFFAOYSA-N -1 1 358.781 4.336 20 30 FIEDMM CC(C)(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000525010127 1109237293 /nfs/dbraw/zinc/23/72/93/1109237293.db2.gz LJRMFYFJYKKFEG-UHFFFAOYSA-N -1 1 364.854 4.190 20 30 FIEDMM Cc1sc([N-]C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)c(C#N)c1C ZINC000448099127 1109724133 /nfs/dbraw/zinc/72/41/33/1109724133.db2.gz OUVRSRISQYYSPB-UHFFFAOYSA-N -1 1 369.324 4.416 20 30 FIEDMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccnc(N(C)C)c3)n2)cc1 ZINC000478079534 1111672206 /nfs/dbraw/zinc/67/22/06/1111672206.db2.gz RGQNDZWIBRPIHX-INIZCTEOSA-N -1 1 362.458 4.070 20 30 FIEDMM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@H](C)C2)c1Cl ZINC000479160929 1111956188 /nfs/dbraw/zinc/95/61/88/1111956188.db2.gz SLAXFUORDXJFDR-BONVTDFDSA-N -1 1 361.294 4.053 20 30 FIEDMM CCCC[C@H](ON=C(C)C)C(=O)Nc1cccc([O-])c1Br ZINC000908708738 1113687607 /nfs/dbraw/zinc/68/76/07/1113687607.db2.gz CJQYYRLVZHIILO-ZDUSSCGKSA-N -1 1 357.248 4.064 20 30 FIEDMM CC(C)(C#N)c1ccccc1CSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000488790768 1113996410 /nfs/dbraw/zinc/99/64/10/1113996410.db2.gz XIJILYKOZSSJQP-UHFFFAOYSA-N -1 1 353.369 4.294 20 30 FIEDMM N#Cc1cc(NC(=O)c2cc([O-])ccc2Cl)ccc1OCC(F)(F)F ZINC000571366873 1114464124 /nfs/dbraw/zinc/46/41/24/1114464124.db2.gz SFFKWQKIRRHPEZ-UHFFFAOYSA-N -1 1 370.714 4.111 20 30 FIEDMM CCC[C@H](CC)S(=O)(=O)[N-]c1ccccc1Oc1ncccc1C#N ZINC000593200374 1115602958 /nfs/dbraw/zinc/60/29/58/1115602958.db2.gz UFFGPXHKGUNFFN-HNNXBMFYSA-N -1 1 359.451 4.066 20 30 FIEDMM C#CCOc1ccc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)cc1 ZINC000174002677 1116104348 /nfs/dbraw/zinc/10/43/48/1116104348.db2.gz KGXKWCFOPDVVTC-OAHLLOKOSA-N -1 1 366.829 4.452 20 30 FIEDMM COc1cc(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)cc(Cl)c1[O-] ZINC000456110550 1116157813 /nfs/dbraw/zinc/15/78/13/1116157813.db2.gz FEEYCBCFSOGOAN-UHFFFAOYSA-N -1 1 374.824 4.355 20 30 FIEDMM CN(C(=O)c1cc(CCc2ccccc2)ccc1[O-])c1cccc(C#N)c1 ZINC000539845147 1116390189 /nfs/dbraw/zinc/39/01/89/1116390189.db2.gz ZLJXKZIVSWSDAK-UHFFFAOYSA-N -1 1 356.425 4.326 20 30 FIEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)ccc1F ZINC000609106530 1117824249 /nfs/dbraw/zinc/82/42/49/1117824249.db2.gz GSTYTDXHEGYRBQ-UHFFFAOYSA-N -1 1 352.390 4.165 20 30 FIEDMM C[C@H](CCNC(=O)c1ccc(C#N)c([O-])c1)c1cccc(C(F)(F)F)c1 ZINC000443281487 1117872103 /nfs/dbraw/zinc/87/21/03/1117872103.db2.gz FWVRXGHJMGQTGG-GFCCVEGCSA-N -1 1 362.351 4.206 20 30 FIEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc3ccoc3c2)ccc1C(F)(F)F ZINC000443414022 1118267073 /nfs/dbraw/zinc/26/70/73/1118267073.db2.gz NLXGHJMVCIGVRS-UHFFFAOYSA-N -1 1 366.320 4.124 20 30 FIEDMM C=C(C)C[C@H](C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000184228614 1119599164 /nfs/dbraw/zinc/59/91/64/1119599164.db2.gz ZPWPATWUIKXWFU-HNNXBMFYSA-N -1 1 358.463 4.028 20 30 FIEDMM CCN(C(=O)c1cc(Cl)c([O-])c(OC)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000153649071 1121006315 /nfs/dbraw/zinc/00/63/15/1121006315.db2.gz RWJOGWDGDBJGDI-GFCCVEGCSA-N -1 1 358.825 4.149 20 30 FIEDMM CCCCCCCCc1nnc(NC([O-])=NO[C@H]2CCCCO2)s1 ZINC000153691554 1121026482 /nfs/dbraw/zinc/02/64/82/1121026482.db2.gz FHQVKUWPNXQDAH-AWEZNQCLSA-N -1 1 356.492 4.021 20 30 FIEDMM CCCCCCCCc1nnc(NC(=O)[N-]O[C@H]2CCCCO2)s1 ZINC000153691554 1121026499 /nfs/dbraw/zinc/02/64/99/1121026499.db2.gz FHQVKUWPNXQDAH-AWEZNQCLSA-N -1 1 356.492 4.021 20 30 FIEDMM CCOc1ccc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)cc1 ZINC000916368760 1121482022 /nfs/dbraw/zinc/48/20/22/1121482022.db2.gz MVEACAVOEXGVJO-UHFFFAOYSA-N -1 1 370.503 4.140 20 30 FIEDMM COc1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc1Cl ZINC000497360559 1122146348 /nfs/dbraw/zinc/14/63/48/1122146348.db2.gz DMHRQQQXPRBGCO-ZDUSSCGKSA-N -1 1 369.833 4.357 20 30 FIEDMM Cc1nc(NC(=O)c2ccc3ccccc3c2[O-])sc1SCC#N ZINC000131283615 1123024305 /nfs/dbraw/zinc/02/43/05/1123024305.db2.gz ITUYQRZOXNBJQG-UHFFFAOYSA-N -1 1 355.444 4.178 20 30 FIEDMM CC(C)n1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000615479508 1124015730 /nfs/dbraw/zinc/01/57/30/1124015730.db2.gz FWLDRPRWHMTBQH-IBGZPJMESA-N -1 1 374.444 4.172 20 30 FIEDMM N#CC(=C([O-])c1ccc(C2(C#N)CC2)cc1)c1nc(-c2ccncc2)cs1 ZINC000179965739 1124174767 /nfs/dbraw/zinc/17/47/67/1124174767.db2.gz JAIWZNAFJXMGMX-QGZVFWFLSA-N -1 1 370.437 4.250 20 30 FIEDMM O=C(NC(CCC(F)(F)F)CCC(F)(F)F)c1ccc([O-])cc1F ZINC000619126991 1124900120 /nfs/dbraw/zinc/90/01/20/1124900120.db2.gz PFCWZDLEBFFEIG-UHFFFAOYSA-N -1 1 361.257 4.315 20 30 FIEDMM Cc1nc(NC(=O)c2cc([O-])cc(C#N)c2)sc1Cc1ccc(F)cc1 ZINC000618445227 1125179043 /nfs/dbraw/zinc/17/90/43/1125179043.db2.gz UCVISMKZVIMVDY-UHFFFAOYSA-N -1 1 367.405 4.011 20 30 FIEDMM CC(C)C[C@@H](C)CC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000070031548 1125244511 /nfs/dbraw/zinc/24/45/11/1125244511.db2.gz CSAGTWQYPAWPFG-OCCSQVGLSA-N -1 1 371.506 4.112 20 30 FIEDMM CC(C)C[C@@H](C)CC(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000070031546 1125244774 /nfs/dbraw/zinc/24/47/74/1125244774.db2.gz CSAGTWQYPAWPFG-TZMCWYRMSA-N -1 1 371.506 4.112 20 30 FIEDMM C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1cc(F)c(Cl)cc1Cl ZINC000618925697 1125323830 /nfs/dbraw/zinc/32/38/30/1125323830.db2.gz UJJZQRUJXVSORG-MRVPVSSYSA-N -1 1 353.180 4.201 20 30 FIEDMM COCc1nc(C(=O)[N-]c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)co1 ZINC000547865469 1080990137 /nfs/dbraw/zinc/99/01/37/1080990137.db2.gz HBDFQSHBNUYZOO-LLVKDONJSA-N -1 1 373.478 4.157 20 30 FIEDMM N#Cc1ccc(Nc2cccc([O-])c2Cl)c(I)c1 ZINC001210854749 1081781505 /nfs/dbraw/zinc/78/15/05/1081781505.db2.gz LOBZUMBICNROQF-UHFFFAOYSA-N -1 1 370.577 4.265 20 30 FIEDMM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000091990222 1083689000 /nfs/dbraw/zinc/68/90/00/1083689000.db2.gz ZQNLTVQMXOVUOU-SFTDATJTSA-N -1 1 356.425 4.457 20 30 FIEDMM COc1ccc(C(=O)/C=C/c2ccc([O-])c(Br)c2)cc1F ZINC000024656938 1086378032 /nfs/dbraw/zinc/37/80/32/1086378032.db2.gz LJHUJTBWNKOFLA-GORDUTHDSA-N -1 1 351.171 4.199 20 30 FIEDMM C[C@@H](C#N)CSc1ccccc1[N-]C(=O)c1c(F)cc(C#N)cc1F ZINC000150921852 1086601052 /nfs/dbraw/zinc/60/10/52/1086601052.db2.gz TUUBYATYFJDMQM-NSHDSACASA-N -1 1 357.385 4.341 20 30 FIEDMM N#CC(=C([O-])C=Cc1ccnc2ccccc12)c1cnc2ccccc2n1 ZINC000588587640 1087178292 /nfs/dbraw/zinc/17/82/92/1087178292.db2.gz WHWLTZGQCZLBCO-IBSYWUHOSA-N -1 1 350.381 4.068 20 30 FIEDMM COc1ccc([O-])c(C(=O)/C=C\c2cn(CCC#N)nc2-c2ccccc2)c1 ZINC000588610510 1087464908 /nfs/dbraw/zinc/46/49/08/1087464908.db2.gz WFLPBLQVUZIDBU-NTMALXAHSA-N -1 1 373.412 4.074 20 30 FIEDMM Cc1csc(C(C#N)=C([O-])c2cc(N(C)C)cc(C(F)(F)F)c2)n1 ZINC000659010098 1087896867 /nfs/dbraw/zinc/89/68/67/1087896867.db2.gz HLRZFHRHFQWWNH-ZDUSSCGKSA-N -1 1 353.369 4.026 20 30 FIEDMM N#Cc1csc(C(=O)[N-]c2nnc(SCc3ccccc3)s2)c1 ZINC000176827254 1088084850 /nfs/dbraw/zinc/08/48/50/1088084850.db2.gz BNMAERQNPRRCON-UHFFFAOYSA-N -1 1 358.473 4.016 20 30 FIEDMM CC(=O)c1ncc(C(=O)[N-]c2sc3c(c2C#N)[C@@H](C)[C@@H](C)CC3)s1 ZINC000415742119 1089885554 /nfs/dbraw/zinc/88/55/54/1089885554.db2.gz ZYGAJEQZFDHNFE-IUCAKERBSA-N -1 1 359.476 4.217 20 30 FIEDMM N#C[C@H](c1ccc(Cl)cc1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000660024000 1090425429 /nfs/dbraw/zinc/42/54/29/1090425429.db2.gz CJHUMAXBQRYJFQ-LJQANCHMSA-N -1 1 354.837 4.205 20 30 FIEDMM CCc1oc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1C ZINC000162456078 1090958857 /nfs/dbraw/zinc/95/88/57/1090958857.db2.gz MSHTWBUHQALXIV-NSHDSACASA-N -1 1 365.216 4.418 20 30 FIEDMM N#Cc1ccc(C(=O)N(Cc2c(F)cccc2F)C2CCCC2)cc1[O-] ZINC000442965417 1092891885 /nfs/dbraw/zinc/89/18/85/1092891885.db2.gz KTDOUUYTQBPJKF-UHFFFAOYSA-N -1 1 356.372 4.127 20 30 FIEDMM C=C(C)[C@@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)c1ccc(F)c(F)c1 ZINC000443135883 1092961427 /nfs/dbraw/zinc/96/14/27/1092961427.db2.gz RBZXGBSHCSPXRP-MRXNPFEDSA-N -1 1 367.779 4.380 20 30 FIEDMM Cc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)ccc1-n1cccn1 ZINC000422120461 1096090710 /nfs/dbraw/zinc/09/07/10/1096090710.db2.gz MSPLUPMRZROCJJ-OAHLLOKOSA-N -1 1 350.447 4.251 20 30 FIEDMM N#Cc1ccc(C(=O)N(Cc2cccs2)Cc2cccs2)cc1[O-] ZINC000190395036 1096366126 /nfs/dbraw/zinc/36/61/26/1096366126.db2.gz ORIFDSBYHVWDGX-UHFFFAOYSA-N -1 1 354.456 4.229 20 30 FIEDMM C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(C(C)C)cc2[O-])cc1 ZINC000436662150 1099192788 /nfs/dbraw/zinc/19/27/88/1099192788.db2.gz IDXHNSNVCQXEOE-UHFFFAOYSA-N -1 1 353.422 4.075 20 30 FIEDMM N#CCCC[C@H](NC(=O)c1cc(Br)ccc1[O-])c1ccccc1 ZINC000436924697 1099440155 /nfs/dbraw/zinc/44/01/55/1099440155.db2.gz DMVIHMZERDZYKY-INIZCTEOSA-N -1 1 373.250 4.320 20 30 FIEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)c(C(F)(F)F)c2)cc(C)c1F ZINC000438757823 1100899136 /nfs/dbraw/zinc/89/91/36/1100899136.db2.gz UGVGKYYSWHVDEZ-UHFFFAOYSA-N -1 1 372.343 4.134 20 30 FIEDMM N#CC(=C([O-])c1ccc(-c2cnco2)cc1)c1nc(-c2ccncc2)cs1 ZINC000518642163 1101373806 /nfs/dbraw/zinc/37/38/06/1101373806.db2.gz YDTNJWUWTRXOMN-INIZCTEOSA-N -1 1 372.409 4.350 20 30 FIEDMM Cc1noc(C(F)F)c1C(=O)[N-]c1sc2c(c1C#N)CC[C@H](C)C2 ZINC000610432167 1102021945 /nfs/dbraw/zinc/02/19/45/1102021945.db2.gz OZIPTXQBYIMNQG-ZETCQYMHSA-N -1 1 351.378 4.231 20 30 FIEDMM N#Cc1ccc(CSCc2nc(-c3ccc([O-])cc3Cl)no2)cc1 ZINC000445450301 1103067639 /nfs/dbraw/zinc/06/76/39/1103067639.db2.gz XSBHCOIPSPUGCU-UHFFFAOYSA-N -1 1 357.822 4.401 20 30 FIEDMM CC(C)(C)OCc1cc(C(=O)[N-]c2sc3c(c2C#N)CCCC3)no1 ZINC000184694173 1104974588 /nfs/dbraw/zinc/97/45/88/1104974588.db2.gz BSVVDKRIDBIHFJ-UHFFFAOYSA-N -1 1 359.451 4.054 20 30 FIEDMM N#CCc1ccc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)cc1 ZINC000447344788 1109519957 /nfs/dbraw/zinc/51/99/57/1109519957.db2.gz DAQLGESZMNMDIP-UHFFFAOYSA-N -1 1 356.834 4.360 20 30 FIEDMM CC(C)c1ccc(OC2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)cc1 ZINC000525950896 1109561575 /nfs/dbraw/zinc/56/15/75/1109561575.db2.gz GSTIKDVXRVVEHM-UHFFFAOYSA-N -1 1 364.445 4.071 20 30 FIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccnc(-c3ccccc3)c2)cc1Cl ZINC000479245939 1111973334 /nfs/dbraw/zinc/97/33/34/1111973334.db2.gz OPKZKJCXXQRNOZ-UHFFFAOYSA-N -1 1 369.833 4.074 20 30 FIEDMM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cc2c(cc1C)OCO2 ZINC000481838759 1113099932 /nfs/dbraw/zinc/09/99/32/1113099932.db2.gz IXISMKUPXFSEQP-UHFFFAOYSA-N -1 1 373.474 4.376 20 30 FIEDMM CC[C@H](C)n1ncc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)c1C ZINC000482571550 1113300260 /nfs/dbraw/zinc/30/02/60/1113300260.db2.gz CCFFBZRTUHPISK-AAEUAGOBSA-N -1 1 371.391 4.397 20 30 FIEDMM CC[C@H](C)n1ncc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)c1C ZINC000482571552 1113300473 /nfs/dbraw/zinc/30/04/73/1113300473.db2.gz CCFFBZRTUHPISK-WCQYABFASA-N -1 1 371.391 4.397 20 30 FIEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000488298840 1113904357 /nfs/dbraw/zinc/90/43/57/1113904357.db2.gz WGIQDQQGSVOMGJ-UHFFFAOYSA-N -1 1 374.771 4.340 20 30 FIEDMM Cc1c(=O)[n-]c(SCc2ccc(F)c(C#N)c2)nc1-c1ccccc1 ZINC000163898887 1114409697 /nfs/dbraw/zinc/40/96/97/1114409697.db2.gz GSZQZTJCUZYKGZ-UHFFFAOYSA-N -1 1 351.406 4.048 20 30 FIEDMM CSc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593214310 1115307052 /nfs/dbraw/zinc/30/70/52/1115307052.db2.gz LKKDFAITGBGMGW-UHFFFAOYSA-N -1 1 360.504 4.319 20 30 FIEDMM N#Cc1ccc(C(=O)N[C@H](c2cccs2)c2ccc(Cl)cc2)cc1[O-] ZINC000442733129 1116294145 /nfs/dbraw/zinc/29/41/45/1116294145.db2.gz YBFADHMPVDSBSE-SFHVURJKSA-N -1 1 368.845 4.498 20 30 FIEDMM Cc1cc(Br)c([O-])c(NC(=O)[C@H](C)c2cccc(C#N)c2)c1 ZINC000462590302 1116375987 /nfs/dbraw/zinc/37/59/87/1116375987.db2.gz IZYNHRIPDLHSLW-LLVKDONJSA-N -1 1 359.223 4.077 20 30 FIEDMM CSc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)cc1Cl ZINC000463792367 1118325261 /nfs/dbraw/zinc/32/52/61/1118325261.db2.gz WUYXXXUKKHGLKQ-UHFFFAOYSA-N -1 1 352.868 4.043 20 30 FIEDMM CCCn1ccc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)cc21 ZINC000460829938 1119064899 /nfs/dbraw/zinc/06/48/99/1119064899.db2.gz JSQXSUHFMUBXJG-UHFFFAOYSA-N -1 1 373.865 4.377 20 30 FIEDMM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cc(C#N)cs2)cc1 ZINC000176461129 1119431994 /nfs/dbraw/zinc/43/19/94/1119431994.db2.gz USCZVTYNLHWHDT-MLGOLLRUSA-N -1 1 351.431 4.094 20 30 FIEDMM C=C(C)C[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000184217175 1119599202 /nfs/dbraw/zinc/59/92/02/1119599202.db2.gz BWTUSOADUQEXPD-OAHLLOKOSA-N -1 1 358.463 4.028 20 30 FIEDMM C=C(C)C[C@H](C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000184230376 1119599451 /nfs/dbraw/zinc/59/94/51/1119599451.db2.gz GRSDIAGBOMRIOH-HNNXBMFYSA-N -1 1 358.463 4.028 20 30 FIEDMM O=[N+]([O-])c1ccc([O-])c(/C=N\C[C@H](c2cccc(Cl)c2)N2CCCC2)c1 ZINC000915112783 1120819528 /nfs/dbraw/zinc/81/95/28/1120819528.db2.gz FZDVIYSCMLDSQU-UZQMFHLOSA-N -1 1 373.840 4.210 20 30 FIEDMM O=[N+]([O-])c1ccc([O-])c(/C=N\C[C@@H](c2cccc(Cl)c2)N2CCCC2)c1 ZINC000915112782 1120820174 /nfs/dbraw/zinc/82/01/74/1120820174.db2.gz FZDVIYSCMLDSQU-UMUMUWHJSA-N -1 1 373.840 4.210 20 30 FIEDMM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000026547639 1121097703 /nfs/dbraw/zinc/09/77/03/1121097703.db2.gz JUUKLJGRIILAAR-UHFFFAOYSA-N -1 1 350.443 4.442 20 30 FIEDMM C[C@H](C=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1)c1cccc(Cl)c1 ZINC000763364849 1121452755 /nfs/dbraw/zinc/45/27/55/1121452755.db2.gz WMJIGZHNEKDSME-LLVKDONJSA-N -1 1 372.860 4.142 20 30 FIEDMM S=c1[n-]nc(SCc2ccccc2)n1N=Cc1cccc(Cl)c1 ZINC000916368866 1121481846 /nfs/dbraw/zinc/48/18/46/1121481846.db2.gz SAZGAOCFVJCAJJ-UHFFFAOYSA-N -1 1 360.895 4.395 20 30 FIEDMM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C(C)=O)s2)cc1 ZINC000916914923 1121934344 /nfs/dbraw/zinc/93/43/44/1121934344.db2.gz ZCMZQQPNYWPJNW-MRXNPFEDSA-N -1 1 368.458 4.254 20 30 FIEDMM COCc1ccc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 ZINC000066544765 1122072153 /nfs/dbraw/zinc/07/21/53/1122072153.db2.gz XNUQDFHYWHIDML-GOSISDBHSA-N -1 1 373.437 4.318 20 30 FIEDMM CCCC(C)=CC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000920325212 1123444343 /nfs/dbraw/zinc/44/43/43/1123444343.db2.gz XBBDZEXMKUVOQA-FUWURINLSA-N -1 1 355.463 4.198 20 30 FIEDMM [O-]c1ccc(C=NN2C(=S)N=NC2c2ccccc2Cl)cc1Cl ZINC000921255587 1123595630 /nfs/dbraw/zinc/59/56/30/1123595630.db2.gz VTNYFNAKIXNPRJ-UHFFFAOYSA-N -1 1 365.245 4.128 20 30 FIEDMM N#Cc1ccc(Oc2ccc(NC(=O)c3cncc([O-])c3)cc2Cl)cc1 ZINC000609547389 1123748949 /nfs/dbraw/zinc/74/89/49/1123748949.db2.gz BUXJKZRJSMAOEL-UHFFFAOYSA-N -1 1 365.776 4.357 20 30 FIEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(OC(C)C)c(Cl)c1 ZINC000610123656 1123947535 /nfs/dbraw/zinc/94/75/35/1123947535.db2.gz CFRQXHUCTCCRFH-UHFFFAOYSA-N -1 1 364.854 4.108 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)c1 ZINC000618304569 1125137888 /nfs/dbraw/zinc/13/78/88/1125137888.db2.gz RRUVVMKVPXETME-AWEZNQCLSA-N -1 1 372.705 4.090 20 30 FIEDMM N#CCCCOc1cccc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)c1 ZINC000619581738 1125623815 /nfs/dbraw/zinc/62/38/15/1125623815.db2.gz KFJJSROOWDYBJL-UHFFFAOYSA-N -1 1 364.323 4.346 20 30 FIEDMM Cn1ncc(C([O-])=C(C#N)c2ccc3ccccc3n2)c1Cc1ccccc1 ZINC000683688665 1081382238 /nfs/dbraw/zinc/38/22/38/1081382238.db2.gz DWQHPZBZWYVHQR-SFHVURJKSA-N -1 1 366.424 4.049 20 30 FIEDMM C=CC[C@@H]1CCCN([C@H](C(=O)[O-])c2ccc(Br)cc2F)C1 ZINC000656759432 1082752056 /nfs/dbraw/zinc/75/20/56/1082752056.db2.gz GEUAZEKMVFXYOH-ABAIWWIYSA-N -1 1 356.235 4.002 20 30 FIEDMM COc1ccc(OCc2nc(/C=C\C(=O)c3ccc([O-])cc3)cs2)cc1 ZINC000066405071 1084444745 /nfs/dbraw/zinc/44/47/45/1084444745.db2.gz VQQUPEBWBJKIJY-WCIBSUBMSA-N -1 1 367.426 4.332 20 30 FIEDMM Cc1ccn(-c2ccc(C([O-])=C(C#N)c3nc4ccccc4s3)cc2)n1 ZINC000048824275 1085707497 /nfs/dbraw/zinc/70/74/97/1085707497.db2.gz GKURMZXCJUYODY-INIZCTEOSA-N -1 1 358.426 4.281 20 30 FIEDMM Cc1c(C(=O)/C=C\c2ccc([O-])c(Cl)c2)cnn1-c1ccc(C#N)cc1 ZINC000255908972 1087907457 /nfs/dbraw/zinc/90/74/57/1087907457.db2.gz PMVFIYOYNVXAAM-YWEYNIOJSA-N -1 1 363.804 4.308 20 30 FIEDMM C=C(C)C(C)(C)c1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000424362990 1087948186 /nfs/dbraw/zinc/94/81/86/1087948186.db2.gz YKLIFQPMZZFFLX-UHFFFAOYSA-N -1 1 353.216 4.067 20 30 FIEDMM CC(=O)c1ncc(C(=O)[N-]c2sc3c(c2C#N)[C@@H](C)C[C@H](C)C3)s1 ZINC000415733076 1089877152 /nfs/dbraw/zinc/87/71/52/1089877152.db2.gz APVJOKOPNAWJJU-IUCAKERBSA-N -1 1 359.476 4.217 20 30 FIEDMM C=CCOc1ccc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)cc1Cl ZINC000417710733 1090966852 /nfs/dbraw/zinc/96/68/52/1090966852.db2.gz URZOOZVUALUQMU-UHFFFAOYSA-N -1 1 372.852 4.165 20 30 FIEDMM CCCCCCC(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000123459398 1091168923 /nfs/dbraw/zinc/16/89/23/1091168923.db2.gz PTAUWRZFIVPDGD-CYBMUJFWSA-N -1 1 357.479 4.010 20 30 FIEDMM CC(C)(c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1)C(F)(F)F ZINC000432049750 1091566966 /nfs/dbraw/zinc/56/69/66/1091566966.db2.gz XEZNPSKJJPVYNX-UHFFFAOYSA-N -1 1 368.380 4.199 20 30 FIEDMM Cc1ccccc1C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000047362477 1091696386 /nfs/dbraw/zinc/69/63/86/1091696386.db2.gz CUBCWNSUQJTATI-AWEZNQCLSA-N -1 1 363.442 4.074 20 30 FIEDMM C=C[C@@](C)(CC)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000442868006 1092815895 /nfs/dbraw/zinc/81/58/95/1092815895.db2.gz PMIMYFPHFVIZBM-FQEVSTJZSA-N -1 1 372.490 4.337 20 30 FIEDMM N#Cc1ccc(C(=O)N[C@H]2CCOc3c(-c4ccccc4)cccc32)cc1[O-] ZINC000442941085 1092875527 /nfs/dbraw/zinc/87/55/27/1092875527.db2.gz DQVUSMOMFYFSGI-FQEVSTJZSA-N -1 1 370.408 4.184 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)c1 ZINC000614714560 1093565218 /nfs/dbraw/zinc/56/52/18/1093565218.db2.gz YZQLIOURGUGCOV-UHFFFAOYSA-N -1 1 364.351 4.061 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)Nc2cccc(CSc3ccccn3)c2)c1 ZINC000614366231 1093765255 /nfs/dbraw/zinc/76/52/55/1093765255.db2.gz ZFXFEBDWDLJMAB-UHFFFAOYSA-N -1 1 361.426 4.203 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)c1 ZINC000614369243 1093770797 /nfs/dbraw/zinc/77/07/97/1093770797.db2.gz UOCHSHWADCWXBI-UHFFFAOYSA-N -1 1 370.714 4.111 20 30 FIEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(-c2cccs2)c1 ZINC000513363983 1094080791 /nfs/dbraw/zinc/08/07/91/1094080791.db2.gz LQJJYBXJNRJGNT-UHFFFAOYSA-N -1 1 354.456 4.396 20 30 FIEDMM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436750877 1099285380 /nfs/dbraw/zinc/28/53/80/1099285380.db2.gz ICRQJPPLIBZCJD-IRXDYDNUSA-N -1 1 374.362 4.323 20 30 FIEDMM CCOc1cc(/C=C/c2nc3ccccc3n2CC#N)cc(Cl)c1[O-] ZINC000436933172 1099446290 /nfs/dbraw/zinc/44/62/90/1099446290.db2.gz PJDDKENBIUZYIB-BQYQJAHWSA-N -1 1 353.809 4.488 20 30 FIEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccccc1CCC(F)(F)F ZINC000475789518 1101824665 /nfs/dbraw/zinc/82/46/65/1101824665.db2.gz SEXZONJLECTFFS-UHFFFAOYSA-N -1 1 368.380 4.048 20 30 FIEDMM N#CC(=C([O-])C=Cc1cc(C(F)(F)F)ccc1Cl)c1ccncn1 ZINC000760353487 1101935171 /nfs/dbraw/zinc/93/51/71/1101935171.db2.gz PYKICWSWXRCMJI-YJEWXARHSA-N -1 1 351.715 4.038 20 30 FIEDMM C=CCC(CC=C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000121697070 1102439322 /nfs/dbraw/zinc/43/93/22/1102439322.db2.gz XMRRIULPACGJMV-UHFFFAOYSA-N -1 1 370.474 4.194 20 30 FIEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000447345293 1109519938 /nfs/dbraw/zinc/51/99/38/1109519938.db2.gz KKRSGORTVQZJSC-UHFFFAOYSA-N -1 1 356.834 4.474 20 30 FIEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000462098450 1111492862 /nfs/dbraw/zinc/49/28/62/1111492862.db2.gz BYXKLEUGGPFGQE-UHFFFAOYSA-N -1 1 363.870 4.143 20 30 FIEDMM N#CC(=C([O-])c1cccc(OCC(F)(F)F)n1)c1nccc2ccccc21 ZINC000483218952 1113467774 /nfs/dbraw/zinc/46/77/74/1113467774.db2.gz IRFGAQUOKLGGHL-CQSZACIVSA-N -1 1 371.318 4.061 20 30 FIEDMM CSCc1ccccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593211262 1115307243 /nfs/dbraw/zinc/30/72/43/1115307243.db2.gz RLHBYPGAOCQBGM-UHFFFAOYSA-N -1 1 360.504 4.152 20 30 FIEDMM CCOc1cc(C(=O)NC2(c3ccc(C#N)cc3)CCC2)cc(Cl)c1[O-] ZINC000594402148 1115432526 /nfs/dbraw/zinc/43/25/26/1115432526.db2.gz GBXPMVWQFZSCMW-UHFFFAOYSA-N -1 1 370.836 4.125 20 30 FIEDMM CCOc1cc(/C=C/C(=O)c2cccc(C#N)c2)cc(Br)c1[O-] ZINC000059270130 1115481837 /nfs/dbraw/zinc/48/18/37/1115481837.db2.gz YIMBAXQHJMPRAQ-VOTSOKGWSA-N -1 1 372.218 4.321 20 30 FIEDMM C[C@H]1Cc2c(C#N)c([N-]C(=O)c3ncoc3-c3ccon3)sc2[C@@H](C)C1 ZINC000598839474 1115759723 /nfs/dbraw/zinc/75/97/23/1115759723.db2.gz SMSZSRSSHGPBSE-ZJUUUORDSA-N -1 1 368.418 4.201 20 30 FIEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(SC3CC3)cc2)n1 ZINC000542130768 1118799620 /nfs/dbraw/zinc/79/96/20/1118799620.db2.gz PTJCKGQMXSWAQB-CQSZACIVSA-N -1 1 372.471 4.064 20 30 FIEDMM N#CC(=C([O-])c1ccc2c(c1)COC2)c1nc2cc(Cl)ccc2s1 ZINC000492555368 1119131738 /nfs/dbraw/zinc/13/17/38/1119131738.db2.gz AWHOATYTSOJWCI-CQSZACIVSA-N -1 1 354.818 4.470 20 30 FIEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc3c(c2)NC(=O)CCS3)n1 ZINC000177762352 1119349462 /nfs/dbraw/zinc/34/94/62/1119349462.db2.gz WQLVCVASJWVRDB-LBPRGKRZSA-N -1 1 371.487 4.191 20 30 FIEDMM Cc1c(Br)scc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000186986959 1119759954 /nfs/dbraw/zinc/75/99/54/1119759954.db2.gz FRXRGHFDBDKNNV-SNVBAGLBSA-N -1 1 374.263 4.196 20 30 FIEDMM Cc1ccc(N=Cc2ccccc2O)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000915271486 1120904565 /nfs/dbraw/zinc/90/45/65/1120904565.db2.gz XLNBPFRJJNLUFM-UHFFFAOYSA-N -1 1 366.442 4.252 20 30 FIEDMM O=C([O-])c1ccc(N=NCc2sc(Oc3ccccc3)nc2Cl)nc1 ZINC000763368423 1121481235 /nfs/dbraw/zinc/48/12/35/1121481235.db2.gz NVSXIEZLWBOFOT-UHFFFAOYSA-N -1 1 374.809 4.128 20 30 FIEDMM O=C(COc1ccccc1Cc1ccccc1)N([O-])Cc1ccc(F)cc1 ZINC001649070349 1121549138 /nfs/dbraw/zinc/54/91/38/1121549138.db2.gz XISTXVZJGLWRMZ-UHFFFAOYSA-N -1 1 365.404 4.213 20 30 FIEDMM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C(C)=O)s2)cc1 ZINC000916956378 1121968303 /nfs/dbraw/zinc/96/83/03/1121968303.db2.gz ZUZKTFONRZXNIT-WBMJQRKESA-N -1 1 368.458 4.425 20 30 FIEDMM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2noc3c2CCCC3)cc1 ZINC000916951176 1121973678 /nfs/dbraw/zinc/97/36/78/1121973678.db2.gz XOTUASWCLBUKHN-DYVFJYSZSA-N -1 1 365.433 4.028 20 30 FIEDMM CCCc1ccc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)cc1 ZINC000055640078 1122259536 /nfs/dbraw/zinc/25/95/36/1122259536.db2.gz GBUPYLGIWVVCAA-UHFFFAOYSA-N -1 1 358.463 4.122 20 30 FIEDMM N#Cc1c([N-]C(=O)c2c(Cl)cccc2[N+](=O)[O-])sc2c1CCCC2 ZINC000171820495 1123047131 /nfs/dbraw/zinc/04/71/31/1123047131.db2.gz FORAOBBKJODIEC-UHFFFAOYSA-N -1 1 361.810 4.312 20 30 FIEDMM Cc1cc(C)c2c(c1)C(=O)/C(=C/c1ccc([O-])c(Br)c1)CO2 ZINC000920068832 1123337060 /nfs/dbraw/zinc/33/70/60/1123337060.db2.gz CXBSLRVHMPXTAU-NTUHNPAUSA-N -1 1 359.219 4.430 20 30 FIEDMM Cc1cc([O-])cc2c1C(=O)/C(=C/c1ccc(OCC(F)(F)F)cc1)O2 ZINC000921270342 1123609872 /nfs/dbraw/zinc/60/98/72/1123609872.db2.gz UNGAMUPMSQJJQN-CHHVJCJISA-N -1 1 350.292 4.258 20 30 FIEDMM CC1=NN(c2ccc(C([O-])=C(C#N)c3nc(C(C)C)cs3)cc2)CC1 ZINC000080459724 1123966862 /nfs/dbraw/zinc/96/68/62/1123966862.db2.gz UUIFXDZWUTVTML-MRXNPFEDSA-N -1 1 352.463 4.343 20 30 FIEDMM CCc1cccc(S(=O)(=O)[N-]c2ccccc2SC[C@H](C)C#N)c1 ZINC000080940077 1123978163 /nfs/dbraw/zinc/97/81/63/1123978163.db2.gz DSUBYBQVLXVLRM-CQSZACIVSA-N -1 1 360.504 4.302 20 30 FIEDMM N#Cc1ccc(Oc2ccc(-c3noc(-c4ncccc4[O-])n3)cc2)cc1 ZINC001212480650 1125300449 /nfs/dbraw/zinc/30/04/49/1125300449.db2.gz BDLUDFHCZYACOU-UHFFFAOYSA-N -1 1 356.341 4.168 20 30 FIEDMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)cc1 ZINC000603982851 568194358 /nfs/dbraw/zinc/19/43/58/568194358.db2.gz ORDRQXZRCPILRM-UHFFFAOYSA-N -1 1 372.490 4.467 20 30 FIEDMM Cc1nsc([N-]C(=O)c2c(F)ccc(SCC3CC3)c2F)c1C#N ZINC000563158112 568431046 /nfs/dbraw/zinc/43/10/46/568431046.db2.gz WDIXDWXZLYUWGZ-UHFFFAOYSA-N -1 1 365.430 4.356 20 30 FIEDMM CC(C)(C)C=CC(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000255052780 1080682981 /nfs/dbraw/zinc/68/29/81/1080682981.db2.gz QTLZVNNDQAAZCX-JLVNDZCYSA-N -1 1 355.463 4.054 20 30 FIEDMM COC(=O)c1sc2ncc(C(=O)/C=C\c3ccc([O-])c(F)c3)cc2c1C ZINC000255057432 1080742428 /nfs/dbraw/zinc/74/24/28/1080742428.db2.gz BZSBSPDCBWHEPG-HYXAFXHYSA-N -1 1 371.389 4.132 20 30 FIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccn3)cc2)cc1Cl ZINC000579658111 1081965374 /nfs/dbraw/zinc/96/53/74/1081965374.db2.gz TYIXLQUTEIXRKB-UHFFFAOYSA-N -1 1 369.833 4.074 20 30 FIEDMM CSc1nc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c2ccccn12 ZINC000430611589 1082664638 /nfs/dbraw/zinc/66/46/38/1082664638.db2.gz ORFGISCILQHNKN-NSHDSACASA-N -1 1 370.503 4.300 20 30 FIEDMM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000091990244 1083689219 /nfs/dbraw/zinc/68/92/19/1083689219.db2.gz BKRYGAULXDDTAE-LEWJYISDSA-N -1 1 356.425 4.457 20 30 FIEDMM COc1ccc(/C=C2/CCc3cc([O-])ccc3C2=O)cc1OCCCC#N ZINC000255538278 1085612165 /nfs/dbraw/zinc/61/21/65/1085612165.db2.gz VRSGEKLUMCBPIO-ATVHPVEESA-N -1 1 363.413 4.296 20 30 FIEDMM N#CC(=C([O-])c1cccc(OC[C@H]2CCCO2)c1)c1nc(C2CC2)cs1 ZINC000647376818 1087798510 /nfs/dbraw/zinc/79/85/10/1087798510.db2.gz ZVWIODPIFNTRNC-SJORKVTESA-N -1 1 368.458 4.068 20 30 FIEDMM CCOc1cc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc(Cl)c1[O-] ZINC000186716587 1087973164 /nfs/dbraw/zinc/97/31/64/1087973164.db2.gz XNHUZKULMIWLPJ-UHFFFAOYSA-N -1 1 372.852 4.367 20 30 FIEDMM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2cccc3ccccc32)cc1 ZINC000176637784 1088030149 /nfs/dbraw/zinc/03/01/49/1088030149.db2.gz SQECMVPYLCNACW-UHFFFAOYSA-N -1 1 350.443 4.442 20 30 FIEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc3[nH]c(=O)n(C(C)C)c3c2)n1 ZINC000659114189 1088116585 /nfs/dbraw/zinc/11/65/85/1088116585.db2.gz LIOFKXGSGMPTOQ-CYBMUJFWSA-N -1 1 368.462 4.393 20 30 FIEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc3[nH]c(=O)n(C4CC4)c3c2)n1 ZINC000659115244 1088124347 /nfs/dbraw/zinc/12/43/47/1088124347.db2.gz ULHPHJFBWVWCRV-ZDUSSCGKSA-N -1 1 366.446 4.147 20 30 FIEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccccc2C(C)(C)C)n1 ZINC000434427536 1088595365 /nfs/dbraw/zinc/59/53/65/1088595365.db2.gz BZUSQFWXBTULBF-ZDUSSCGKSA-N -1 1 356.447 4.107 20 30 FIEDMM Cc1cc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)sc3c2)ccc1C#N ZINC000435730088 1089902146 /nfs/dbraw/zinc/90/21/46/1089902146.db2.gz WPTZNFLNJNZVJY-UHFFFAOYSA-N -1 1 369.471 4.155 20 30 FIEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(OC)c3ccccc32)c1 ZINC000511684680 1091539646 /nfs/dbraw/zinc/53/96/46/1091539646.db2.gz XEJKZYAJEGNJGF-UHFFFAOYSA-N -1 1 369.442 4.214 20 30 FIEDMM N#Cc1ccc(C(=O)N[C@H](c2cccc3ccccc32)C(F)(F)F)cc1[O-] ZINC000443118909 1092952587 /nfs/dbraw/zinc/95/25/87/1092952587.db2.gz OXQYBXUMJKFOLJ-GOSISDBHSA-N -1 1 370.330 4.450 20 30 FIEDMM C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000443126318 1092955191 /nfs/dbraw/zinc/95/51/91/1092955191.db2.gz ARSIKQCLJAEROV-RYUDHWBXSA-N -1 1 362.351 4.205 20 30 FIEDMM Cc1c(=O)[n-]c(SCc2ccc(F)cc2C#N)nc1-c1ccccc1 ZINC000185053282 1093335134 /nfs/dbraw/zinc/33/51/34/1093335134.db2.gz XOVDDLYGCLMFGN-UHFFFAOYSA-N -1 1 351.406 4.048 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000614374078 1093774185 /nfs/dbraw/zinc/77/41/85/1093774185.db2.gz ZUUSMXQWDQQUHM-UHFFFAOYSA-N -1 1 374.362 4.302 20 30 FIEDMM CC(F)(F)c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000436157894 1098777476 /nfs/dbraw/zinc/77/74/76/1098777476.db2.gz VHGKKTJBWGPEBX-UHFFFAOYSA-N -1 1 356.781 4.124 20 30 FIEDMM CCOc1ccc(N(CCC#N)C(=O)c2ccc(C(C)C)cc2[O-])cc1 ZINC000436570312 1099121702 /nfs/dbraw/zinc/12/17/02/1099121702.db2.gz OVNVABFMKPSIOA-UHFFFAOYSA-N -1 1 352.434 4.475 20 30 FIEDMM C=CC[C@H](CC)NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436776817 1099297482 /nfs/dbraw/zinc/29/74/82/1099297482.db2.gz AKECMXGFQUJMRJ-HNNXBMFYSA-N -1 1 374.387 4.007 20 30 FIEDMM C=CCC1(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)CCCC1 ZINC001211843750 1100052230 /nfs/dbraw/zinc/05/22/30/1100052230.db2.gz UEBKVPOOAIRVIN-UHFFFAOYSA-N -1 1 354.324 4.470 20 30 FIEDMM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001625927690 1100554403 /nfs/dbraw/zinc/55/44/03/1100554403.db2.gz HAMXIEQAUWCYDS-UHFFFAOYSA-N -1 1 374.440 4.421 20 30 FIEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1cccc(-c2cccs2)c1 ZINC000475816591 1101954115 /nfs/dbraw/zinc/95/41/15/1101954115.db2.gz UOMWNXMIZLTGKI-UHFFFAOYSA-N -1 1 354.456 4.282 20 30 FIEDMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccnn3CC(C)C)n2)cc1 ZINC000520405330 1104326722 /nfs/dbraw/zinc/32/67/22/1104326722.db2.gz GMSNCZJRBTWPAZ-MRXNPFEDSA-N -1 1 364.474 4.461 20 30 FIEDMM C=CCCOc1ccccc1-c1ccc(OC)c([N-]S(=O)(=O)CC)c1 ZINC000665192213 1105196248 /nfs/dbraw/zinc/19/62/48/1105196248.db2.gz FSVKGETVZJLHKK-UHFFFAOYSA-N -1 1 361.463 4.079 20 30 FIEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1C ZINC000462101573 1111493155 /nfs/dbraw/zinc/49/31/55/1111493155.db2.gz MCNBCXJOHHVOPT-UHFFFAOYSA-N -1 1 363.870 4.143 20 30 FIEDMM Cc1cc(C(C#N)=C([O-])c2cc3c(s2)-c2ccccc2CC3)nc(C)n1 ZINC000041574859 1111723352 /nfs/dbraw/zinc/72/33/52/1111723352.db2.gz HRRMMCTZHCGMCR-QGZVFWFLSA-N -1 1 359.454 4.411 20 30 FIEDMM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@@H](C)C2)c1Cl ZINC000479160924 1111955726 /nfs/dbraw/zinc/95/57/26/1111955726.db2.gz SLAXFUORDXJFDR-BMIGLBTASA-N -1 1 361.294 4.053 20 30 FIEDMM O=C1c2cc(F)ccc2OCC/C1=C\c1ccc([O-])c(Br)c1 ZINC000029217607 1114250062 /nfs/dbraw/zinc/25/00/62/1114250062.db2.gz POEXLUGGFQEPQW-YRNVUSSQSA-N -1 1 363.182 4.343 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000586869003 1114402161 /nfs/dbraw/zinc/40/21/61/1114402161.db2.gz XLAMWPNPWCAFNT-HNNXBMFYSA-N -1 1 374.362 4.302 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000587110515 1114413885 /nfs/dbraw/zinc/41/38/85/1114413885.db2.gz GWOLSZJKXUYSOX-ROUUACIJSA-N -1 1 374.362 4.349 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)N2CCc3ccccc3[C@H]2c2ccccc2)c1 ZINC000590513883 1114939188 /nfs/dbraw/zinc/93/91/88/1114939188.db2.gz QCMIFTGYXUXLLF-JOCHJYFZSA-N -1 1 354.409 4.052 20 30 FIEDMM CCOc1c(Cl)cc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1Cl ZINC000464541752 1118600727 /nfs/dbraw/zinc/60/07/27/1118600727.db2.gz WHWQYBMJGBRSRA-UHFFFAOYSA-N -1 1 371.245 4.065 20 30 FIEDMM CC(=O)[N-][C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000542171853 1118825238 /nfs/dbraw/zinc/82/52/38/1118825238.db2.gz NHMCJIURBFDVSJ-SECBINFHSA-N -1 1 353.184 4.464 20 30 FIEDMM CSCc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)ccc1F ZINC000177588328 1119337882 /nfs/dbraw/zinc/33/78/82/1119337882.db2.gz PYQWKWXHNBIUMZ-CQSZACIVSA-N -1 1 353.422 4.065 20 30 FIEDMM C=C(C)C[C@@H](C)C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000184230436 1119599272 /nfs/dbraw/zinc/59/92/72/1119599272.db2.gz FGQKFLPWVSBWPK-MRXNPFEDSA-N -1 1 372.490 4.337 20 30 FIEDMM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cccc(COC)c1 ZINC000191568827 1119984479 /nfs/dbraw/zinc/98/44/79/1119984479.db2.gz KZTAFQCMPTZWPP-UHFFFAOYSA-N -1 1 359.491 4.486 20 30 FIEDMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccc4[nH]cnc4c3)n2)cc1 ZINC000915102105 1120811932 /nfs/dbraw/zinc/81/19/32/1120811932.db2.gz RQASGSUNSPBQEF-HNNXBMFYSA-N -1 1 358.426 4.485 20 30 FIEDMM O=C(/C=C\c1ccc([O-])c(Cl)c1)c1cc(Br)ncc1F ZINC000762421005 1120904951 /nfs/dbraw/zinc/90/49/51/1120904951.db2.gz GDOGEXXFCLAHEB-IWQZZHSRSA-N -1 1 356.578 4.238 20 30 FIEDMM CC(=Cc1ccc(-c2c(F)cccc2F)o1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000193610291 1120981745 /nfs/dbraw/zinc/98/17/45/1120981745.db2.gz YBYFTVMKIDGSRA-CSKARUKUSA-N -1 1 353.328 4.049 20 30 FIEDMM CCCCCCCCc1nnc(NC([O-])=NO[C@@H]2CCCCO2)s1 ZINC000153691453 1121026449 /nfs/dbraw/zinc/02/64/49/1121026449.db2.gz FHQVKUWPNXQDAH-CQSZACIVSA-N -1 1 356.492 4.021 20 30 FIEDMM CCCCCCCCc1nnc(NC(=O)[N-]O[C@@H]2CCCCO2)s1 ZINC000153691453 1121026452 /nfs/dbraw/zinc/02/64/52/1121026452.db2.gz FHQVKUWPNXQDAH-CQSZACIVSA-N -1 1 356.492 4.021 20 30 FIEDMM COc1ccc(OC)c(C(=O)/C=C\c2ccc([O-])c(Br)c2)c1 ZINC000916137747 1121425418 /nfs/dbraw/zinc/42/54/18/1121425418.db2.gz RXKLWEKQMCSJEH-UTCJRWHESA-N -1 1 363.207 4.068 20 30 FIEDMM COCc1cccc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000066544730 1122072443 /nfs/dbraw/zinc/07/24/43/1122072443.db2.gz RTOJSIAJMHPIOW-SFHVURJKSA-N -1 1 373.437 4.318 20 30 FIEDMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2S[C@@H](C)CC#N)cc1C ZINC000066814245 1122098949 /nfs/dbraw/zinc/09/89/49/1122098949.db2.gz PWSRZDZBSHJLCO-HNNXBMFYSA-N -1 1 360.504 4.499 20 30 FIEDMM C=CCN(Cc1nc(=O)c2sc(-c3ccc(OC)cc3)cc2[n-]1)C(C)C ZINC000917167837 1122213581 /nfs/dbraw/zinc/21/35/81/1122213581.db2.gz CNWSVQICROWORJ-UHFFFAOYSA-N -1 1 369.490 4.057 20 30 FIEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc(OC(F)F)c(F)c2)n1 ZINC000498061287 1122538211 /nfs/dbraw/zinc/53/82/11/1122538211.db2.gz LZQUIQOTUNHANZ-JTQLQIEISA-N -1 1 354.353 4.497 20 30 FIEDMM N#CCc1ccccc1[N-]S(=O)(=O)c1ccc2oc3ccccc3c2c1 ZINC000556926383 1123227837 /nfs/dbraw/zinc/22/78/37/1123227837.db2.gz BLIORACKHLDDLC-UHFFFAOYSA-N -1 1 362.410 4.453 20 30 FIEDMM CC(C)c1nc2ccc([N-]S(=O)(=O)c3cccc(C#N)c3)cc2s1 ZINC000520700874 1125037080 /nfs/dbraw/zinc/03/70/80/1125037080.db2.gz ZWWTVAIBDKTPOM-UHFFFAOYSA-N -1 1 357.460 4.092 20 30 FIEDMM Cc1nc(NC(=O)c2cc([O-])cc(C#N)c2)sc1Cc1cccc(C)c1 ZINC000618445230 1125179089 /nfs/dbraw/zinc/17/90/89/1125179089.db2.gz URLWJJROLXDPCC-UHFFFAOYSA-N -1 1 363.442 4.180 20 30 FIEDMM C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1cc(F)c(Cl)cc1Cl ZINC000618925700 1125323546 /nfs/dbraw/zinc/32/35/46/1125323546.db2.gz UJJZQRUJXVSORG-QMMMGPOBSA-N -1 1 353.180 4.201 20 30 FIEDMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)cc1 ZINC000603982487 568194329 /nfs/dbraw/zinc/19/43/29/568194329.db2.gz BSJIUYMNZOWAPI-UHFFFAOYSA-N -1 1 372.490 4.368 20 30 FIEDMM N#CC(=C([O-])c1ccn(-c2cccc(F)c2)n1)c1ccc2ccccc2n1 ZINC000620058248 1125766596 /nfs/dbraw/zinc/76/65/96/1125766596.db2.gz ZOEDDBNGDMDUSR-KRWDZBQOSA-N -1 1 356.360 4.050 20 30 FIEDMM N#Cc1ccccc1OCc1ccc(C(=O)[N-]c2c(F)cc(F)cc2F)o1 ZINC000175315731 1079924625 /nfs/dbraw/zinc/92/46/25/1079924625.db2.gz SUTQTLFSFKNHSA-UHFFFAOYSA-N -1 1 372.302 4.400 20 30 FIEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C3=CCCC3)cc2)n1 ZINC000581163781 1082353510 /nfs/dbraw/zinc/35/35/10/1082353510.db2.gz WTACIDKGFBCFQI-MRXNPFEDSA-N -1 1 366.442 4.377 20 30 FIEDMM N#CC(=C([O-])c1coc2c1C(=O)CCC2)c1nc2ccccc2n1C(F)F ZINC000581173745 1082358026 /nfs/dbraw/zinc/35/80/26/1082358026.db2.gz KCXDNUHXTKSLRV-JTQLQIEISA-N -1 1 369.327 4.033 20 30 FIEDMM C=CC[C@H]1CCCN([C@H](C(=O)[O-])c2ccc(Br)cc2F)C1 ZINC000656759437 1082752483 /nfs/dbraw/zinc/75/24/83/1082752483.db2.gz GEUAZEKMVFXYOH-NHYWBVRUSA-N -1 1 356.235 4.002 20 30 FIEDMM CCN(C)C(=O)c1cccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000430629590 1082766237 /nfs/dbraw/zinc/76/62/37/1082766237.db2.gz OWVMARHMKRBJPI-OAHLLOKOSA-N -1 1 369.490 4.023 20 30 FIEDMM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000091990221 1083690346 /nfs/dbraw/zinc/69/03/46/1083690346.db2.gz ZQNLTVQMXOVUOU-RTWAWAEBSA-N -1 1 356.425 4.457 20 30 FIEDMM CSCc1cccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1 ZINC000593205385 1085418729 /nfs/dbraw/zinc/41/87/29/1085418729.db2.gz YFSWETQKSZEIQZ-UHFFFAOYSA-N -1 1 360.504 4.152 20 30 FIEDMM N#CC(=C([O-])C=Cc1ccnc2ccccc12)c1cnc2ccccc2n1 ZINC000588587639 1087178549 /nfs/dbraw/zinc/17/85/49/1087178549.db2.gz WHWLTZGQCZLBCO-DOOKAGJSSA-N -1 1 350.381 4.068 20 30 FIEDMM C=CCn1c(-c2sc(NC(=O)CCC(C)(C)C)nc2C)n[n-]c1=S ZINC000159520675 1087264293 /nfs/dbraw/zinc/26/42/93/1087264293.db2.gz LONZLXJGOJDPHJ-UHFFFAOYSA-N -1 1 365.528 4.323 20 30 FIEDMM CSc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC000435174128 1089385588 /nfs/dbraw/zinc/38/55/88/1089385588.db2.gz RNQPJBGIDHJYBE-UHFFFAOYSA-N -1 1 372.393 4.100 20 30 FIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3ccoc3c2)cc1C(F)(F)F ZINC000442843252 1092801854 /nfs/dbraw/zinc/80/18/54/1092801854.db2.gz CTFQSLXYCGIXRO-UHFFFAOYSA-N -1 1 366.320 4.124 20 30 FIEDMM CCSc1cccc(F)c1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000573770216 1093062595 /nfs/dbraw/zinc/06/25/95/1093062595.db2.gz XIOMQGRIFDHKGT-UHFFFAOYSA-N -1 1 370.858 4.264 20 30 FIEDMM Cc1nc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c(C)s1 ZINC000178707461 1093134559 /nfs/dbraw/zinc/13/45/59/1093134559.db2.gz GXSCICLNBVKKJS-LBPRGKRZSA-N -1 1 368.245 4.028 20 30 FIEDMM Cc1c(=O)[n-]c(SCc2ccc(C#N)cc2F)nc1-c1ccccc1 ZINC000185050471 1093335766 /nfs/dbraw/zinc/33/57/66/1093335766.db2.gz JEKHDKNAWLXPTO-UHFFFAOYSA-N -1 1 351.406 4.048 20 30 FIEDMM Cc1csc(C(C#N)=C([O-])c2cccc(COc3ccc(C)nc3)c2)n1 ZINC000114617289 1093659838 /nfs/dbraw/zinc/65/98/38/1093659838.db2.gz ZSAJMSYOMUDTAX-SFHVURJKSA-N -1 1 363.442 4.224 20 30 FIEDMM COc1cc(OC)cc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)c1 ZINC000041535682 1094646634 /nfs/dbraw/zinc/64/66/34/1094646634.db2.gz YLOUXCICRYDMEV-KRWDZBQOSA-N -1 1 364.426 4.317 20 30 FIEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H]1CCCCC12CCCC2 ZINC000329728507 1095222999 /nfs/dbraw/zinc/22/29/99/1095222999.db2.gz HFGTWJDRUQIVAR-INIZCTEOSA-N -1 1 356.470 4.054 20 30 FIEDMM CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Br)cc1[O-] ZINC000436760212 1099273443 /nfs/dbraw/zinc/27/34/43/1099273443.db2.gz NVAMZYMVYLVNOH-UHFFFAOYSA-N -1 1 373.250 4.079 20 30 FIEDMM CSc1nc(C2CC2)cc(-c2nc(-c3ccc([O-])cc3F)no2)c1C#N ZINC000436876151 1099388400 /nfs/dbraw/zinc/38/84/00/1099388400.db2.gz WVOAZEBGMSRIFP-UHFFFAOYSA-N -1 1 368.393 4.114 20 30 FIEDMM CN(C(=O)c1cc([O-])cc(C#N)c1)c1ccc(OCc2ccccc2)cc1 ZINC000614895783 1099436644 /nfs/dbraw/zinc/43/66/44/1099436644.db2.gz LWIXYLQTUBPMNS-UHFFFAOYSA-N -1 1 358.397 4.119 20 30 FIEDMM N#CC(=C([O-])c1ccc(Cl)c(F)c1)c1nc(-c2ccncc2)cs1 ZINC000162083137 1099621891 /nfs/dbraw/zinc/62/18/91/1099621891.db2.gz DNLOUWACPLQRDQ-GFCCVEGCSA-N -1 1 357.797 4.488 20 30 FIEDMM C=CCC1(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)CCC1 ZINC000188715039 1101818948 /nfs/dbraw/zinc/81/89/48/1101818948.db2.gz NUFKXHFTGSKJJZ-UHFFFAOYSA-N -1 1 370.474 4.172 20 30 FIEDMM CC(C)Cn1ccc2cc([N-]S(=O)(=O)c3ccccc3CC#N)ccc21 ZINC000475790935 1101825764 /nfs/dbraw/zinc/82/57/64/1101825764.db2.gz KTIUSLBCFKGGTO-UHFFFAOYSA-N -1 1 367.474 4.164 20 30 FIEDMM N#Cc1ccccc1Oc1ccc([N-]S(=O)(=O)c2ccsc2)cc1 ZINC000506717484 1101901200 /nfs/dbraw/zinc/90/12/00/1101901200.db2.gz CMZPIYJVWAKUDZ-UHFFFAOYSA-N -1 1 356.428 4.213 20 30 FIEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)Cc1ccccc1-2 ZINC000475805798 1101916326 /nfs/dbraw/zinc/91/63/26/1101916326.db2.gz ACCZBPAHQJHRPC-UHFFFAOYSA-N -1 1 360.438 4.125 20 30 FIEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(CCC(F)(F)F)cc1 ZINC000475806465 1101921674 /nfs/dbraw/zinc/92/16/74/1101921674.db2.gz HDLAKTIEMOSPNW-UHFFFAOYSA-N -1 1 368.380 4.048 20 30 FIEDMM Cc1csc(C(C#N)=C([O-])c2ccc(Br)c(Cl)c2)n1 ZINC000121299610 1102368101 /nfs/dbraw/zinc/36/81/01/1102368101.db2.gz YRYDNYVIDMVMHM-SECBINFHSA-N -1 1 355.644 4.358 20 30 FIEDMM Cc1c(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cnn1-c1cc(C)ccc1C ZINC000121870980 1102467270 /nfs/dbraw/zinc/46/72/70/1102467270.db2.gz DSOLCZBIPXYZKB-MRXNPFEDSA-N -1 1 369.428 4.164 20 30 FIEDMM CSc1ccc(-c2nsc([N-]C(=O)c3sccc3C#N)n2)cc1 ZINC000440471782 1102778299 /nfs/dbraw/zinc/77/82/99/1102778299.db2.gz IMUHXJWJDXQHNK-UHFFFAOYSA-N -1 1 358.473 4.112 20 30 FIEDMM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)c1 ZINC000461109134 1104087900 /nfs/dbraw/zinc/08/79/00/1104087900.db2.gz CSDXEDLKJMSQFR-UHFFFAOYSA-N -1 1 366.773 4.093 20 30 FIEDMM CCC(CC)[C@@H]1C[C@H](NC(=O)c2cc(Cl)c([O-])c(OC)c2)CCO1 ZINC000331274390 1104709240 /nfs/dbraw/zinc/70/92/40/1104709240.db2.gz NGGZMFHUCPZUNR-HIFRSBDPSA-N -1 1 355.862 4.343 20 30 FIEDMM C=CCOc1ccccc1CNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000301388059 1107014042 /nfs/dbraw/zinc/01/40/42/1107014042.db2.gz DNLYPOOKGAHOBY-UHFFFAOYSA-N -1 1 362.433 4.038 20 30 FIEDMM C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3c(F)cc(C#N)cc3F)sc2C1 ZINC000530788193 1107327230 /nfs/dbraw/zinc/32/72/30/1107327230.db2.gz BDUOQBOFJIFBHZ-SECBINFHSA-N -1 1 357.385 4.147 20 30 FIEDMM Cc1ccc(-c2nc(C([O-])=C(C#N)c3nc4cccc(C)c4[nH]3)cs2)o1 ZINC000524034884 1108763438 /nfs/dbraw/zinc/76/34/38/1108763438.db2.gz CHINGBLBZKYZNX-LBPRGKRZSA-N -1 1 362.414 4.386 20 30 FIEDMM CC(C)(C)Oc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000610194573 1108825309 /nfs/dbraw/zinc/82/53/09/1108825309.db2.gz MKHCQWRFCHDFLH-UHFFFAOYSA-N -1 1 364.854 4.190 20 30 FIEDMM Cc1ccnn1-c1ccc(C([O-])=C(C#N)c2nc3ccccc3s2)cc1 ZINC000041502329 1111522567 /nfs/dbraw/zinc/52/25/67/1111522567.db2.gz UXAGURRZCPFVSS-INIZCTEOSA-N -1 1 358.426 4.281 20 30 FIEDMM N#Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)cc1[O-] ZINC000552866591 1111836733 /nfs/dbraw/zinc/83/67/33/1111836733.db2.gz HVGHQVZVNRVEJW-DLBZAZTESA-N -1 1 374.362 4.349 20 30 FIEDMM C=CCN(CCc1ccccc1)Cn1c(=S)[n-]nc1Cc1cccs1 ZINC000058206560 1115154086 /nfs/dbraw/zinc/15/40/86/1115154086.db2.gz BHGYRRSRBSJTDO-UHFFFAOYSA-N -1 1 370.547 4.281 20 30 FIEDMM Cc1cc(Br)c([O-])c(NC(=O)CC2(C#N)CCCCC2)c1 ZINC000597475976 1115667392 /nfs/dbraw/zinc/66/73/92/1115667392.db2.gz LPHGXKKPWNJYEP-UHFFFAOYSA-N -1 1 351.244 4.266 20 30 FIEDMM N#Cc1ccc(C(=O)NC(CCC(F)(F)F)CCC(F)(F)F)cc1[O-] ZINC000598299017 1115718289 /nfs/dbraw/zinc/71/82/89/1115718289.db2.gz BFLYUJYTOMKAJU-UHFFFAOYSA-N -1 1 368.277 4.047 20 30 FIEDMM CCc1cc(C#N)c([N-]C(=O)c2cc(-c3ccc4c(c3)CCO4)no2)s1 ZINC000122217637 1116332730 /nfs/dbraw/zinc/33/27/30/1116332730.db2.gz KVRMZNWUNUPKHN-UHFFFAOYSA-N -1 1 365.414 4.024 20 30 FIEDMM CCN(C(=O)c1ccc(C#N)c([O-])c1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000443309404 1117966804 /nfs/dbraw/zinc/96/68/04/1117966804.db2.gz FONFZPKFRRWWBL-IBGZPJMESA-N -1 1 354.425 4.132 20 30 FIEDMM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3cccc(C#N)c3C)c2)n1 ZINC000443416310 1118319359 /nfs/dbraw/zinc/31/93/59/1118319359.db2.gz SVVZEEJRSAJXHU-UHFFFAOYSA-N -1 1 369.471 4.099 20 30 FIEDMM N#CC(=C([O-])c1cc(Cl)cc2c1OCC2)c1cc(C(F)(F)F)ccn1 ZINC000464403866 1118553187 /nfs/dbraw/zinc/55/31/87/1118553187.db2.gz HNCQZEVZKLMZAP-CYBMUJFWSA-N -1 1 366.726 4.179 20 30 FIEDMM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C(C)=O)s2)cc1 ZINC000916914922 1121934087 /nfs/dbraw/zinc/93/40/87/1121934087.db2.gz ZCMZQQPNYWPJNW-INIZCTEOSA-N -1 1 368.458 4.254 20 30 FIEDMM CCCCc1oc2ccccc2c1C=CC(=O)c1c([O-])cc(C)oc1=O ZINC000917209867 1122224426 /nfs/dbraw/zinc/22/44/26/1122224426.db2.gz BIBNCWMNPBVLEZ-CTDFXDFQSA-N -1 1 352.386 4.004 20 30 FIEDMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(OCCCC#N)c1 ZINC000055639912 1122259350 /nfs/dbraw/zinc/25/93/50/1122259350.db2.gz MQPJLTLHTVRYGF-UHFFFAOYSA-N -1 1 364.854 4.132 20 30 FIEDMM Cc1cc(C)c2c(c1)OC/C(=C\c1ccc([O-])c(Br)c1)C2=O ZINC000920066303 1123326153 /nfs/dbraw/zinc/32/61/53/1123326153.db2.gz OQWREAJSULTUML-NTUHNPAUSA-N -1 1 359.219 4.430 20 30 FIEDMM Cc1cnn(-c2ccc(C([O-])=C(C#N)c3nc(C(C)C)cs3)cc2)c1 ZINC000080459747 1123966902 /nfs/dbraw/zinc/96/69/02/1123966902.db2.gz ONADWISXSDOMGR-MRXNPFEDSA-N -1 1 350.447 4.251 20 30 FIEDMM CC(C)n1c2ccccc2nc1[C@H]1CCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000615479511 1124015771 /nfs/dbraw/zinc/01/57/71/1124015771.db2.gz FWLDRPRWHMTBQH-LJQANCHMSA-N -1 1 374.444 4.172 20 30 FIEDMM COC(=O)c1sc(SC)c(C#N)c1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214482599 1124808143 /nfs/dbraw/zinc/80/81/43/1124808143.db2.gz DCDHVBYXVBVOJQ-UHFFFAOYSA-N -1 1 372.830 4.370 20 30 FIEDMM N#Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000007057219 210091530 /nfs/dbraw/zinc/09/15/30/210091530.db2.gz HFUDIICQVUHVST-UHFFFAOYSA-N -1 1 360.744 4.031 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)c1 ZINC000619784390 1125696175 /nfs/dbraw/zinc/69/61/75/1125696175.db2.gz KFBIUPIXCYUBJZ-UHFFFAOYSA-N -1 1 355.806 4.293 20 30 FIEDMM N#CC(=C([O-])c1ccc(F)c(Br)c1)c1nc(C2CC2)cs1 ZINC000647378388 1083367949 /nfs/dbraw/zinc/36/79/49/1083367949.db2.gz VHJZZERNTHYGTI-SNVBAGLBSA-N -1 1 365.227 4.412 20 30 FIEDMM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000091990223 1083691069 /nfs/dbraw/zinc/69/10/69/1083691069.db2.gz ZQNLTVQMXOVUOU-NHCUHLMSSA-N -1 1 356.425 4.457 20 30 FIEDMM N#CCCSc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000609379838 1084125208 /nfs/dbraw/zinc/12/52/08/1084125208.db2.gz KTNBGZNFZJJOSD-UHFFFAOYSA-N -1 1 370.858 4.286 20 30 FIEDMM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C(F)(F)F)s2)cc1 ZINC000796796989 1085628640 /nfs/dbraw/zinc/62/86/40/1085628640.db2.gz GFLYAUSRYIHOQZ-LBPRGKRZSA-N -1 1 366.364 4.290 20 30 FIEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc3c(c2)[nH]c(=O)n3C2CC2)n1 ZINC000659115389 1088124582 /nfs/dbraw/zinc/12/45/82/1088124582.db2.gz XELUPGSZXAMAGG-CYBMUJFWSA-N -1 1 366.446 4.147 20 30 FIEDMM N#Cc1ccc(C(=O)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)cc1[O-] ZINC000189123416 1088416232 /nfs/dbraw/zinc/41/62/32/1088416232.db2.gz IVKBCDOMSKPQBK-UHFFFAOYSA-N -1 1 374.362 4.302 20 30 FIEDMM C[C@H]1CCc2c(C#N)c([N-]C(=O)c3ncsc3C(F)(F)F)sc2C1 ZINC000549212621 1089238559 /nfs/dbraw/zinc/23/85/59/1089238559.db2.gz DRUDWGXVUNZRSP-ZETCQYMHSA-N -1 1 371.409 4.472 20 30 FIEDMM CSc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000435165081 1089375117 /nfs/dbraw/zinc/37/51/17/1089375117.db2.gz JDSGFTHDBMNSGY-UHFFFAOYSA-N -1 1 372.393 4.100 20 30 FIEDMM Cc1cc(O[C@@H](C)C(=O)Nc2n[n-]c(C(F)(F)F)n2)ccc1C(C)C ZINC000051266445 1090154524 /nfs/dbraw/zinc/15/45/24/1090154524.db2.gz ZRQYLDIDUFLTOB-JTQLQIEISA-N -1 1 356.348 4.311 20 30 FIEDMM N#Cc1ccc(C(=O)N[C@@H](c2ccsc2)c2ccc(Cl)cc2)cc1[O-] ZINC000442942059 1092877552 /nfs/dbraw/zinc/87/75/52/1092877552.db2.gz HJYZKNHTGZATSH-GOSISDBHSA-N -1 1 368.845 4.498 20 30 FIEDMM COc1cc(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)cc(Cl)c1[O-] ZINC000442980478 1092905912 /nfs/dbraw/zinc/90/59/12/1092905912.db2.gz HSLJJLXNBJNYNK-INIZCTEOSA-N -1 1 372.852 4.346 20 30 FIEDMM N#Cc1cc(NC(=O)c2cc([O-])ccc2Cl)ccc1OC(F)(F)F ZINC000512617258 1092995894 /nfs/dbraw/zinc/99/58/94/1092995894.db2.gz LHJJUXRKDFLQIN-UHFFFAOYSA-N -1 1 356.687 4.068 20 30 FIEDMM Cc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)c(OCc2ccccc2)c1 ZINC000614364099 1093764488 /nfs/dbraw/zinc/76/44/88/1093764488.db2.gz UMSRSIBQNMDOKB-UHFFFAOYSA-N -1 1 358.397 4.404 20 30 FIEDMM CC(C)[C@@H](C#N)c1ccc(NC2([P@](=O)([O-])O)Cc3ccccc3C2)cc1 ZINC001167937290 1093949043 /nfs/dbraw/zinc/94/90/43/1093949043.db2.gz BHZJAERRRQBITP-LJQANCHMSA-N -1 1 370.389 4.034 20 30 FIEDMM N#CC(=C([O-])c1ccc2ccccc2n1)c1nc2ccccc2n1C(F)F ZINC000041559074 1094631585 /nfs/dbraw/zinc/63/15/85/1094631585.db2.gz KYFHSRGIODQSCT-CYBMUJFWSA-N -1 1 362.339 4.470 20 30 FIEDMM Cc1c(=O)[n-]c(SCCCC2(C#N)CCOCC2)nc1-c1ccccc1 ZINC000281013209 1095470606 /nfs/dbraw/zinc/47/06/06/1095470606.db2.gz OVJPVVBLJBOMBA-UHFFFAOYSA-N -1 1 369.490 4.350 20 30 FIEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1C(F)(F)F ZINC000515690723 1098835849 /nfs/dbraw/zinc/83/58/49/1098835849.db2.gz KXJNMQHQTZEGEH-UHFFFAOYSA-N -1 1 374.771 4.340 20 30 FIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(C#N)cc3)n2)cc1 ZINC000516269911 1099335021 /nfs/dbraw/zinc/33/50/21/1099335021.db2.gz DFWYSWVGFYXZAY-QGZVFWFLSA-N -1 1 359.410 4.180 20 30 FIEDMM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(COC)cc1 ZINC000473771817 1102717005 /nfs/dbraw/zinc/71/70/05/1102717005.db2.gz GHNPAEBCAYBRND-UHFFFAOYSA-N -1 1 359.491 4.486 20 30 FIEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C3CCCC3)cc2)n1 ZINC000519571036 1102780779 /nfs/dbraw/zinc/78/07/79/1102780779.db2.gz FGNFWRXSEPEMFA-INIZCTEOSA-N -1 1 368.458 4.467 20 30 FIEDMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(C(C)(C)C#N)cc3)cc2s1 ZINC000427101402 1103253245 /nfs/dbraw/zinc/25/32/45/1103253245.db2.gz BTUWYCUKYZXPRS-UHFFFAOYSA-N -1 1 371.487 4.207 20 30 FIEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)c(Cl)c1 ZINC000461109481 1104086278 /nfs/dbraw/zinc/08/62/78/1104086278.db2.gz IGZKBBZTTQNUSG-UHFFFAOYSA-N -1 1 366.773 4.093 20 30 FIEDMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccnn3CC(C)C)n2)cc1 ZINC000520405329 1104326634 /nfs/dbraw/zinc/32/66/34/1104326634.db2.gz GMSNCZJRBTWPAZ-INIZCTEOSA-N -1 1 364.474 4.461 20 30 FIEDMM N#CCCC[C@H](NC(=O)NCc1cccc(Cl)c1[O-])c1ccccc1 ZINC000895042481 1104502722 /nfs/dbraw/zinc/50/27/22/1104502722.db2.gz DSJQELCCOUNDEN-KRWDZBQOSA-N -1 1 357.841 4.280 20 30 FIEDMM C=C[C@](C)(CC)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000190556787 1104926493 /nfs/dbraw/zinc/92/64/93/1104926493.db2.gz FJRGYRXANIXBJD-LJQANCHMSA-N -1 1 358.463 4.028 20 30 FIEDMM CSc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)cc1Cl ZINC000184831225 1105215506 /nfs/dbraw/zinc/21/55/06/1105215506.db2.gz IKYICPOTYXLGCV-UHFFFAOYSA-N -1 1 352.868 4.043 20 30 FIEDMM N#Cc1cccc(OCc2cccc(C(=O)Nc3ccc(F)cc3[O-])c2)c1 ZINC000531756315 1108122346 /nfs/dbraw/zinc/12/23/46/1108122346.db2.gz LKBOOHGLKVLHNQ-UHFFFAOYSA-N -1 1 362.360 4.234 20 30 FIEDMM N#Cc1ccc(C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)cc1[O-] ZINC000444761842 1108142370 /nfs/dbraw/zinc/14/23/70/1108142370.db2.gz PLIJEPXJFKBHBQ-AWEZNQCLSA-N -1 1 372.705 4.090 20 30 FIEDMM CC(C)c1csc(C(C#N)=C([O-])c2cc(-c3ccccc3)nn2C)n1 ZINC000453688307 1108687376 /nfs/dbraw/zinc/68/73/76/1108687376.db2.gz HLMGJJYOIIYGRK-CQSZACIVSA-N -1 1 350.447 4.157 20 30 FIEDMM N#Cc1cccc(OCCCCc2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000445450863 1108753049 /nfs/dbraw/zinc/75/30/49/1108753049.db2.gz XQELGKBXBQIHPB-UHFFFAOYSA-N -1 1 369.808 4.369 20 30 FIEDMM CCCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1Cl ZINC000525368238 1109355906 /nfs/dbraw/zinc/35/59/06/1109355906.db2.gz CYTRVMMCPIPHGY-UHFFFAOYSA-N -1 1 364.854 4.110 20 30 FIEDMM N#Cc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])cc1Cl ZINC000525953347 1109562752 /nfs/dbraw/zinc/56/27/52/1109562752.db2.gz NUTBFNMOPFITLV-UHFFFAOYSA-N -1 1 356.687 4.068 20 30 FIEDMM N#C[C@@H](C(=O)[C@H]1CCCC12CC2)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000528911706 1110148401 /nfs/dbraw/zinc/14/84/01/1110148401.db2.gz DDYDMMPXZMWHNJ-QWHCGFSZSA-N -1 1 367.474 4.032 20 30 FIEDMM N#C[C@H](C(=O)[C@@H]1CCCC12CC2)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000528911705 1110148438 /nfs/dbraw/zinc/14/84/38/1110148438.db2.gz DDYDMMPXZMWHNJ-OLZOCXBDSA-N -1 1 367.474 4.032 20 30 FIEDMM CSc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1C ZINC000539194462 1111474153 /nfs/dbraw/zinc/47/41/53/1111474153.db2.gz ZKNWVBUWDUXIKO-UHFFFAOYSA-N -1 1 352.868 4.043 20 30 FIEDMM Cc1ccc2[n-]cc(C(=O)N(CC(C)C)c3ccc(C#N)cc3)c(=O)c2c1 ZINC000552894702 1111841519 /nfs/dbraw/zinc/84/15/19/1111841519.db2.gz HEMXAANLGWIIEY-UHFFFAOYSA-N -1 1 359.429 4.011 20 30 FIEDMM CCc1cc(C)c(C([O-])=C(C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)o1 ZINC000128726114 1113361943 /nfs/dbraw/zinc/36/19/43/1113361943.db2.gz CYMXDDMPZFPVRO-ZDUSSCGKSA-N -1 1 374.824 4.082 20 30 FIEDMM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)oc1C ZINC000128750684 1113394099 /nfs/dbraw/zinc/39/40/99/1113394099.db2.gz GIEPMCDKKVMDON-LLVKDONJSA-N -1 1 351.189 4.164 20 30 FIEDMM C=CCSc1ccccc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000486481216 1113578563 /nfs/dbraw/zinc/57/85/63/1113578563.db2.gz SVMZDVMBDAELST-UHFFFAOYSA-N -1 1 351.431 4.313 20 30 FIEDMM Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000055652195 1114504898 /nfs/dbraw/zinc/50/48/98/1114504898.db2.gz GOQXRMZIUBXCPW-UHFFFAOYSA-N -1 1 364.854 4.108 20 30 FIEDMM O=S(=O)([N-]c1cc(F)c(F)c(F)c1)c1ccc(F)c(C(F)(F)F)c1 ZINC000607331691 1116019424 /nfs/dbraw/zinc/01/94/24/1116019424.db2.gz UHTYKUNEABQIQT-UHFFFAOYSA-N -1 1 373.249 4.063 20 30 FIEDMM C#CCOc1ccc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)cc1 ZINC000174002685 1116104467 /nfs/dbraw/zinc/10/44/67/1116104467.db2.gz KGXKWCFOPDVVTC-HNNXBMFYSA-N -1 1 366.829 4.452 20 30 FIEDMM C=CCCCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000175321993 1119198162 /nfs/dbraw/zinc/19/81/62/1119198162.db2.gz QWADWOVDQUCVSO-UHFFFAOYSA-N -1 1 358.463 4.091 20 30 FIEDMM N#CC(=C([O-])c1ccc(N2CCCC2)nc1)c1nc(-c2ccccc2)cs1 ZINC000187130473 1119768333 /nfs/dbraw/zinc/76/83/33/1119768333.db2.gz VPLZLXVPOOXQHC-KRWDZBQOSA-N -1 1 374.469 4.295 20 30 FIEDMM [O-]c1ccc(C=NNCc2ccc(C(F)(F)F)cc2)cc1Br ZINC000915972586 1121358236 /nfs/dbraw/zinc/35/82/36/1121358236.db2.gz PZRJWQLNXHDYJR-UHFFFAOYSA-N -1 1 373.172 4.297 20 30 FIEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1ccccc1OCc1ccccn1)O2 ZINC000915989077 1121369355 /nfs/dbraw/zinc/36/93/55/1121369355.db2.gz XEAPGVPTECPDFH-RGVLZGJSSA-N -1 1 359.381 4.291 20 30 FIEDMM CCOc1ccccc1C=Nn1c(=S)[n-]nc1SCc1ccccc1 ZINC000916368806 1121482236 /nfs/dbraw/zinc/48/22/36/1121482236.db2.gz OJXFGXWMTDVUGS-UHFFFAOYSA-N -1 1 370.503 4.140 20 30 FIEDMM COc1cc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1C ZINC000066544690 1122072980 /nfs/dbraw/zinc/07/29/80/1122072980.db2.gz YJWUDAQJOOXLKG-KRWDZBQOSA-N -1 1 373.437 4.489 20 30 FIEDMM Oc1ccc(Cl)cc1/C=N\C1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000917559943 1122352932 /nfs/dbraw/zinc/35/29/32/1122352932.db2.gz XLZJRDYGMUPNLT-KSEXSDGBSA-N -1 1 364.823 4.407 20 30 FIEDMM N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000556150393 1122695183 /nfs/dbraw/zinc/69/51/83/1122695183.db2.gz ZZMDEFOZKYDCTB-UHFFFAOYSA-N -1 1 362.360 4.234 20 30 FIEDMM N#Cc1ccc(C(=O)N2CCC[C@H]2c2ccccc2Br)cc1[O-] ZINC000615481923 1124016195 /nfs/dbraw/zinc/01/61/95/1124016195.db2.gz GNWNGIVAVSIAFJ-INIZCTEOSA-N -1 1 371.234 4.004 20 30 FIEDMM N#CC(=C([O-])c1ccc(C2(C#N)CC2)cc1)c1nc(-c2ccncc2)cs1 ZINC000179965755 1124174952 /nfs/dbraw/zinc/17/49/52/1124174952.db2.gz JAIWZNAFJXMGMX-KRWDZBQOSA-N -1 1 370.437 4.250 20 30 FIEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1C(F)(F)F ZINC000303882527 1124509638 /nfs/dbraw/zinc/50/96/38/1124509638.db2.gz JGWRCNLKYSPIIM-UHFFFAOYSA-N -1 1 360.744 4.031 20 30 FIEDMM N#CC(=C([O-])c1ccc2c(c1)OCO2)c1nc2cc(Cl)ccc2s1 ZINC000076606529 1125006762 /nfs/dbraw/zinc/00/67/62/1125006762.db2.gz BILUCYXHQISOOH-NSHDSACASA-N -1 1 356.790 4.168 20 30 FIEDMM N#Cc1ccc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)cn1 ZINC000436604242 568033676 /nfs/dbraw/zinc/03/36/76/568033676.db2.gz NLRQUKPAEFCQET-UHFFFAOYSA-N -1 1 372.409 4.188 20 30 FIEDMM COc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c([O-])c1 ZINC000436654041 568253634 /nfs/dbraw/zinc/25/36/34/568253634.db2.gz WKOBKBJNBGICAB-UHFFFAOYSA-N -1 1 374.396 4.104 20 30 FIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1 ZINC000007053995 568435788 /nfs/dbraw/zinc/43/57/88/568435788.db2.gz FDILUIBQGXCXQY-UHFFFAOYSA-N -1 1 350.399 4.151 20 30 FIEDMM N#Cc1cccc(COc2ccc(NC(=O)c3ccccc3[O-])cc2F)c1 ZINC000436707283 568437671 /nfs/dbraw/zinc/43/76/71/568437671.db2.gz XLAKNJWEOKAJKN-UHFFFAOYSA-N -1 1 362.360 4.234 20 30 FIEDMM CC1(c2ccc(Cl)cc2)CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000619418315 1125589802 /nfs/dbraw/zinc/58/98/02/1125589802.db2.gz QVSKJRFRRVFHLB-UHFFFAOYSA-N -1 1 354.837 4.111 20 30 FIEDMM [O-]/N=C/c1cc(NCc2ccc(-c3ncon3)cc2)cc(C(F)(F)F)c1 ZINC001167097672 1080401176 /nfs/dbraw/zinc/40/11/76/1080401176.db2.gz SCZPKRYEVVDXAV-NUGSKGIGSA-N -1 1 362.311 4.176 20 30 FIEDMM N#Cc1c(C(F)F)cccc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000656150576 1081749377 /nfs/dbraw/zinc/74/93/77/1081749377.db2.gz VUPDOWVEHRQGCV-UHFFFAOYSA-N -1 1 356.372 4.301 20 30 FIEDMM CC(C)(C)c1cnc(C(C#N)C(=O)c2cncn2-c2ccc(F)cc2)s1 ZINC000430589644 1082533653 /nfs/dbraw/zinc/53/36/53/1082533653.db2.gz IUNXJXZQSQAVAH-CQSZACIVSA-N -1 1 368.437 4.255 20 30 FIEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cncn2-c2ccc(F)cc2)s1 ZINC000430589644 1082533656 /nfs/dbraw/zinc/53/36/56/1082533656.db2.gz IUNXJXZQSQAVAH-CQSZACIVSA-N -1 1 368.437 4.255 20 30 FIEDMM Cn1cc(Br)cc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430616366 1082704855 /nfs/dbraw/zinc/70/48/55/1082704855.db2.gz AUJLWYYAECOAQI-SNVBAGLBSA-N -1 1 366.284 4.032 20 30 FIEDMM N#CCCSc1ccccc1[N-]C(=O)c1ncsc1C(F)(F)F ZINC000430706612 1083124028 /nfs/dbraw/zinc/12/40/28/1083124028.db2.gz DJULAIKUKWHJQJ-UHFFFAOYSA-N -1 1 357.382 4.420 20 30 FIEDMM CCN(CC)[C@@H](C/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccco1 ZINC000255514069 1085147611 /nfs/dbraw/zinc/14/76/11/1085147611.db2.gz WRXSGUNJUGCAKU-HNIBHBHRSA-N -1 1 365.817 4.049 20 30 FIEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc3sccc3c2)n1 ZINC000473122592 1085689973 /nfs/dbraw/zinc/68/99/73/1085689973.db2.gz ZXVAEBIHMCIFFZ-GFCCVEGCSA-N -1 1 356.428 4.025 20 30 FIEDMM Cc1csc(C(C#N)=C([O-])c2cccc(N(C)C(=O)OC(C)(C)C)c2)n1 ZINC000892418258 1087688364 /nfs/dbraw/zinc/68/83/64/1087688364.db2.gz QNDNVXYIBNFKLZ-HNNXBMFYSA-N -1 1 371.462 4.313 20 30 FIEDMM N#CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000548861310 1087761597 /nfs/dbraw/zinc/76/15/97/1087761597.db2.gz CLFZFPUGUCXGRA-UHFFFAOYSA-N -1 1 360.438 4.125 20 30 FIEDMM CCSc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000505304756 1088336475 /nfs/dbraw/zinc/33/64/75/1088336475.db2.gz IVWGYAIJQGCUPG-UHFFFAOYSA-N -1 1 352.868 4.124 20 30 FIEDMM CCOc1cc(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)cc(Cl)c1[O-] ZINC000425138010 1088951855 /nfs/dbraw/zinc/95/18/55/1088951855.db2.gz YJPOODUDXPVOFR-LBPRGKRZSA-N -1 1 358.825 4.149 20 30 FIEDMM CCCc1cc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)ccc1Cl ZINC000472732598 1089229345 /nfs/dbraw/zinc/22/93/45/1089229345.db2.gz CIVIFHLKBYWNFV-AWEZNQCLSA-N -1 1 352.825 4.362 20 30 FIEDMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000435165101 1089375310 /nfs/dbraw/zinc/37/53/10/1089375310.db2.gz JINOSSDKGNNQKG-UHFFFAOYSA-N -1 1 374.771 4.340 20 30 FIEDMM CCc1oc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1C ZINC000162474195 1090973314 /nfs/dbraw/zinc/97/33/14/1090973314.db2.gz NQJZUFIDMITBTI-CYBMUJFWSA-N -1 1 365.216 4.418 20 30 FIEDMM C=CCC(C)(C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000432000367 1091533149 /nfs/dbraw/zinc/53/31/49/1091533149.db2.gz GZVZBULZDXQXIG-UHFFFAOYSA-N -1 1 358.463 4.028 20 30 FIEDMM C=CCOc1ccc(C=C(C)c2ncc(C(=O)OCC)c(=O)[n-]2)cc1Cl ZINC000432695949 1092123342 /nfs/dbraw/zinc/12/33/42/1092123342.db2.gz SBGXSXSNUCQVPN-XFXZXTDPSA-N -1 1 374.824 4.138 20 30 FIEDMM N#Cc1ccc(C(=O)N[C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1[O-] ZINC000443115891 1092951327 /nfs/dbraw/zinc/95/13/27/1092951327.db2.gz AKCQPVZFDZYGHK-IRXDYDNUSA-N -1 1 374.362 4.349 20 30 FIEDMM CCOc1ccc([C@@H](NC(=O)c2cc([O-])cc(C#N)c2)c2ccccc2)cc1 ZINC000614295075 1093356327 /nfs/dbraw/zinc/35/63/27/1093356327.db2.gz DFCKTNFUAHJFSU-QFIPXVFZSA-N -1 1 372.424 4.182 20 30 FIEDMM C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)C(c1ccccc1)c1ccccc1 ZINC000614295190 1093356927 /nfs/dbraw/zinc/35/69/27/1093356927.db2.gz GCDKEKXVBPYCSH-MRXNPFEDSA-N -1 1 356.425 4.214 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c1 ZINC000614358703 1093756256 /nfs/dbraw/zinc/75/62/56/1093756256.db2.gz UCKVCKJXVCGPAE-UHFFFAOYSA-N -1 1 372.384 4.160 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)N(Cc2c(F)cccc2F)C2CCCC2)c1 ZINC000614367175 1093768502 /nfs/dbraw/zinc/76/85/02/1093768502.db2.gz ZGPUSCZHCMMPEX-UHFFFAOYSA-N -1 1 356.372 4.127 20 30 FIEDMM CC(C)(C#N)c1ccc(NC(=O)c2cc(Br)ccc2[O-])cc1 ZINC000025438308 1093777552 /nfs/dbraw/zinc/77/75/52/1093777552.db2.gz GORQNBMXKZVRTR-UHFFFAOYSA-N -1 1 359.223 4.208 20 30 FIEDMM Cc1ccc2c(Cl)c(C([O-])=C(C#N)C(=O)Nc3ccccn3)sc2c1 ZINC000729186427 1093941430 /nfs/dbraw/zinc/94/14/30/1093941430.db2.gz VDANXVCAMCHGDV-GFCCVEGCSA-N -1 1 369.833 4.219 20 30 FIEDMM C=C(C)CCc1ccccc1NC1([P@](=O)([O-])O)Cc2ccccc2C1 ZINC001167936803 1093943860 /nfs/dbraw/zinc/94/38/60/1093943860.db2.gz OIKDIXKLJTUCQM-UHFFFAOYSA-N -1 1 357.390 4.280 20 30 FIEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc2nc(C(C)C)sc2c1 ZINC000513407630 1094105563 /nfs/dbraw/zinc/10/55/63/1094105563.db2.gz GOGWPSGADBQPEJ-UHFFFAOYSA-N -1 1 371.487 4.401 20 30 FIEDMM CCc1cc(C#N)c([N-]C(=O)c2cc(COc3ccccc3F)on2)s1 ZINC000185456073 1094311731 /nfs/dbraw/zinc/31/17/31/1094311731.db2.gz PZYUCEDAJBSZJP-UHFFFAOYSA-N -1 1 371.393 4.141 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)Nc2nc(-c3ccccc3Cl)cs2)c1 ZINC000614718119 1094396796 /nfs/dbraw/zinc/39/67/96/1094396796.db2.gz DSUJWTGAAINVTL-UHFFFAOYSA-N -1 1 355.806 4.293 20 30 FIEDMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000329117892 1094745949 /nfs/dbraw/zinc/74/59/49/1094745949.db2.gz UTHLFBOQPREHIG-VHDGCEQUSA-N -1 1 368.474 4.392 20 30 FIEDMM C=CCn1c(SCC(=O)c2ccc([O-])cc2)nnc1-c1cccc(C)c1 ZINC000016863016 1096413911 /nfs/dbraw/zinc/41/39/11/1096413911.db2.gz KCGXQUDITGVPBB-UHFFFAOYSA-N -1 1 365.458 4.120 20 30 FIEDMM N#CCc1ccc(OCc2cccc(NC(=O)c3ccccc3[O-])c2)cc1 ZINC000436511738 1099071882 /nfs/dbraw/zinc/07/18/82/1099071882.db2.gz HPZWROXLHAFPBX-UHFFFAOYSA-N -1 1 358.397 4.290 20 30 FIEDMM N#Cc1ccc2c(c1)N(C(=O)c1cc(Cc3ccccc3)ccc1[O-])CC2 ZINC000436716294 1099247905 /nfs/dbraw/zinc/24/79/05/1099247905.db2.gz SNGJXBKYDAAZEX-UHFFFAOYSA-N -1 1 354.409 4.058 20 30 FIEDMM N#CCCCOc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])c1 ZINC000436763244 1099304350 /nfs/dbraw/zinc/30/43/50/1099304350.db2.gz JESQZKWHOACWSJ-UHFFFAOYSA-N -1 1 364.323 4.346 20 30 FIEDMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c(C)c1 ZINC000536901388 1101326682 /nfs/dbraw/zinc/32/66/82/1101326682.db2.gz USLVAVBNNCBHNF-UHFFFAOYSA-N -1 1 368.380 4.303 20 30 FIEDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccccc2CC#N)cc1Cl ZINC000193355651 1101984429 /nfs/dbraw/zinc/98/44/29/1101984429.db2.gz USBGEVMDKLOAKX-UHFFFAOYSA-N -1 1 355.246 4.169 20 30 FIEDMM Cc1cc(Br)c([O-])c(NC(=O)C[C@H](CC#N)c2ccccc2)c1 ZINC000476558121 1102340922 /nfs/dbraw/zinc/34/09/22/1102340922.db2.gz AWULDNQLYLJVHH-AWEZNQCLSA-N -1 1 373.250 4.489 20 30 FIEDMM N#Cc1cccc(OC2CCN(C(=O)c3ccc4ccccc4c3[O-])CC2)c1 ZINC000104918213 1102638191 /nfs/dbraw/zinc/63/81/91/1102638191.db2.gz SXYJDTKTYHIEEB-UHFFFAOYSA-N -1 1 372.424 4.101 20 30 FIEDMM CC(C)(C)[C@@H]1C[C@H](NC(=O)c2cc(Br)ccc2[O-])CCO1 ZINC000331226777 1104706609 /nfs/dbraw/zinc/70/66/09/1104706609.db2.gz CZHRLUHRSZFNAG-RISCZKNCSA-N -1 1 356.260 4.053 20 30 FIEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(-c3ccoc3)c2)n1 ZINC000536348120 1104773570 /nfs/dbraw/zinc/77/35/70/1104773570.db2.gz IEXHGPXRZNKHKR-HNNXBMFYSA-N -1 1 366.398 4.070 20 30 FIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(COC3CCCCC3)c2)cc1 ZINC000520699902 1105122733 /nfs/dbraw/zinc/12/27/33/1105122733.db2.gz FQJNRLIMRGUKFX-UHFFFAOYSA-N -1 1 370.474 4.208 20 30 FIEDMM C=CCn1c(SCC(=O)c2ccc([O-])cc2)nnc1-c1ccccc1C ZINC000531761501 1108148109 /nfs/dbraw/zinc/14/81/09/1108148109.db2.gz NHWAMMZLQMVWRL-UHFFFAOYSA-N -1 1 365.458 4.120 20 30 FIEDMM N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc(F)cc3[O-])c2)cc1 ZINC000532267114 1108737805 /nfs/dbraw/zinc/73/78/05/1108737805.db2.gz CXLNSPWUEDAYRX-UHFFFAOYSA-N -1 1 362.360 4.234 20 30 FIEDMM C=C(C)[C@H](Cc1nc(-c2cc(Cl)c([O-])c(OCC)c2)no1)OCC ZINC000445431327 1108742031 /nfs/dbraw/zinc/74/20/31/1108742031.db2.gz NOHWAYBHSISZBE-ZDUSSCGKSA-N -1 1 352.818 4.018 20 30 FIEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2nc(C3CC3)sc2c1 ZINC000524856313 1109173971 /nfs/dbraw/zinc/17/39/71/1109173971.db2.gz QXUPNPDDYHESNJ-UHFFFAOYSA-N -1 1 369.471 4.155 20 30 FIEDMM CCCNc1ccc(C#N)cc1NC(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000186832785 1110303293 /nfs/dbraw/zinc/30/32/93/1110303293.db2.gz VIGYIMZEPIASBF-UHFFFAOYSA-N -1 1 373.840 4.390 20 30 FIEDMM N#CC(=C([O-])c1ccc2oc(=O)[nH]c2c1)c1nc2cc(Cl)ccc2s1 ZINC000553999060 1112157307 /nfs/dbraw/zinc/15/73/07/1112157307.db2.gz BKTLYYFZEMUOFR-JTQLQIEISA-N -1 1 369.789 4.287 20 30 FIEDMM N#CC(=C([O-])c1cccc(OCC(F)(F)F)n1)c1nccc2ccccc21 ZINC000483218951 1113467856 /nfs/dbraw/zinc/46/78/56/1113467856.db2.gz IRFGAQUOKLGGHL-AWEZNQCLSA-N -1 1 371.318 4.061 20 30 FIEDMM O=C(Nc1cccc(C#Cc2ccccn2)c1)Nc1ccc([O-])c(Cl)c1 ZINC000486930423 1113679642 /nfs/dbraw/zinc/67/96/42/1113679642.db2.gz RBOXSZPFDVKDIH-UHFFFAOYSA-N -1 1 363.804 4.484 20 30 FIEDMM Cc1c(=O)[n-]c(SCc2cccc(F)c2C#N)nc1-c1ccccc1 ZINC000488263498 1113893380 /nfs/dbraw/zinc/89/33/80/1113893380.db2.gz HPRJHRBFLYIPSF-UHFFFAOYSA-N -1 1 351.406 4.461 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000587110514 1114414034 /nfs/dbraw/zinc/41/40/34/1114414034.db2.gz GWOLSZJKXUYSOX-QZTJIDSGSA-N -1 1 374.362 4.349 20 30 FIEDMM C=CCCC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000588078292 1114520130 /nfs/dbraw/zinc/52/01/30/1114520130.db2.gz AZXNVVFOTOOGOG-UHFFFAOYSA-N -1 1 364.854 4.046 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)Nc2ncc(-c3ccc(Cl)cc3)s2)c1 ZINC000589657045 1114823586 /nfs/dbraw/zinc/82/35/86/1114823586.db2.gz RYDIDWGWSKVDHR-UHFFFAOYSA-N -1 1 355.806 4.293 20 30 FIEDMM CCCOc1cccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1 ZINC000593198370 1115305692 /nfs/dbraw/zinc/30/56/92/1115305692.db2.gz KLRXBKKDPMTYEO-UHFFFAOYSA-N -1 1 358.463 4.077 20 30 FIEDMM CSc1cccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1C ZINC000593210205 1115307328 /nfs/dbraw/zinc/30/73/28/1115307328.db2.gz OJRBIIVGKPCQBF-UHFFFAOYSA-N -1 1 360.504 4.319 20 30 FIEDMM CSc1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)ccc1C ZINC000593218482 1115310773 /nfs/dbraw/zinc/31/07/73/1115310773.db2.gz LAYXXSLIVBLOQB-UHFFFAOYSA-N -1 1 360.504 4.319 20 30 FIEDMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000443402084 1118218478 /nfs/dbraw/zinc/21/84/78/1118218478.db2.gz WVVOGIZRSZFEGG-UHFFFAOYSA-N -1 1 374.771 4.340 20 30 FIEDMM CC(C)c1csc(C(C#N)=C([O-])c2cccc(OC[C@@H]3CCCO3)c2)n1 ZINC000177777336 1119351176 /nfs/dbraw/zinc/35/11/76/1119351176.db2.gz LTLYHFXUAMDENP-IRXDYDNUSA-N -1 1 370.474 4.314 20 30 FIEDMM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cccc(N(C)C)c1 ZINC000494449677 1119864823 /nfs/dbraw/zinc/86/48/23/1119864823.db2.gz YSEBRZMUNPGAGK-UHFFFAOYSA-N -1 1 358.507 4.405 20 30 FIEDMM O=C(COc1cc(Cl)cc(Cl)c1)N([O-])Cc1ccccc1Cl ZINC001649046470 1121306481 /nfs/dbraw/zinc/30/64/81/1121306481.db2.gz UJMKJBIJVREBID-UHFFFAOYSA-N -1 1 360.624 4.444 20 30 FIEDMM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2noc3c2CCCC3)cc1 ZINC000916951175 1121973457 /nfs/dbraw/zinc/97/34/57/1121973457.db2.gz XOTUASWCLBUKHN-CXAGYDPISA-N -1 1 365.433 4.028 20 30 FIEDMM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000919962245 1123287304 /nfs/dbraw/zinc/28/73/04/1123287304.db2.gz YXZXASJNNRULBD-MDZDMXLPSA-N -1 1 362.838 4.023 20 30 FIEDMM Cn1cc(/C=C2/Oc3cc([O-])ccc3C2=O)c(-c2cc3ccccc3o2)n1 ZINC000920065739 1123325571 /nfs/dbraw/zinc/32/55/71/1123325571.db2.gz IXVLUGVJUOXKEA-DJKKODMXSA-N -1 1 358.353 4.155 20 30 FIEDMM CCCC(C)=CC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000920325214 1123444239 /nfs/dbraw/zinc/44/42/39/1123444239.db2.gz XBBDZEXMKUVOQA-STRFDMGBSA-N -1 1 355.463 4.198 20 30 FIEDMM [O-]c1ccc(C=NN2C(=S)N=NC2c2cccc(Cl)c2)cc1Cl ZINC000921257175 1123596974 /nfs/dbraw/zinc/59/69/74/1123596974.db2.gz POSYOOKQQBDETB-UHFFFAOYSA-N -1 1 365.245 4.128 20 30 FIEDMM O=C1c2cccc(Br)c2OC/C1=C/c1ccc([O-])c(Cl)c1 ZINC000921268859 1123608689 /nfs/dbraw/zinc/60/86/89/1123608689.db2.gz FMGOUCLGKYMZKU-POHAHGRESA-N -1 1 365.610 4.467 20 30 FIEDMM CCCn1ccc2cc([N-]S(=O)(=O)c3ccc(C#N)cc3C)ccc21 ZINC000610123808 1123947540 /nfs/dbraw/zinc/94/75/40/1123947540.db2.gz FCEVYHZKLFUAMC-UHFFFAOYSA-N -1 1 353.447 4.032 20 30 FIEDMM COCCCOc1cccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1 ZINC000080452131 1123966393 /nfs/dbraw/zinc/96/63/93/1123966393.db2.gz LDRWKKXMNXCNQM-INIZCTEOSA-N -1 1 358.463 4.172 20 30 FIEDMM C[C@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000108252035 1124271057 /nfs/dbraw/zinc/27/10/57/1124271057.db2.gz UOKOMNITVRTFIJ-GFCCVEGCSA-N -1 1 366.895 4.393 20 30 FIEDMM N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)o1 ZINC000111666093 1124920767 /nfs/dbraw/zinc/92/07/67/1124920767.db2.gz WUIUWMBGYSHIRH-UHFFFAOYSA-N -1 1 368.776 4.342 20 30 FIEDMM N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000111668685 1124921733 /nfs/dbraw/zinc/92/17/33/1124921733.db2.gz RKJJHIHYBMYPJJ-UHFFFAOYSA-N -1 1 368.776 4.342 20 30 FIEDMM N#CC(=C([O-])c1ccc2oc(=O)[nH]c2c1)c1nc(-c2ccccc2)cs1 ZINC000672581920 1125188544 /nfs/dbraw/zinc/18/85/44/1125188544.db2.gz VUZJFKKEOUSCNG-CYBMUJFWSA-N -1 1 361.382 4.147 20 30 FIEDMM CN(Cc1ccccc1NC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1 ZINC000619144424 1125492875 /nfs/dbraw/zinc/49/28/75/1125492875.db2.gz WGMQFZNUPWFUTR-UHFFFAOYSA-N -1 1 357.413 4.153 20 30 FIEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccccc2Nc2ccccc2)c1 ZINC000619463510 1125596228 /nfs/dbraw/zinc/59/62/28/1125596228.db2.gz LHIIODMXQVACIU-UHFFFAOYSA-N -1 1 363.442 4.297 20 30 FIEDMM Cc1ccc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(C#N)cc3)c2)o1 ZINC000475827632 1079605976 /nfs/dbraw/zinc/60/59/76/1079605976.db2.gz PFOQKMYLIJMXKW-UHFFFAOYSA-N -1 1 352.415 4.236 20 30 FIEDMM N#CC(=C([O-])c1ccn(-c2cccc(F)c2)n1)c1ccc2ccccc2n1 ZINC000620058249 1125766180 /nfs/dbraw/zinc/76/61/80/1125766180.db2.gz ZOEDDBNGDMDUSR-QGZVFWFLSA-N -1 1 356.360 4.050 20 30 FIEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(-c3ccccc3Cl)s2)c(=O)o1 ZINC000255029097 1080427004 /nfs/dbraw/zinc/42/70/04/1080427004.db2.gz IDXNCPSHIMUNMW-POZKEBTKSA-N -1 1 372.829 4.297 20 30 FIEDMM N#Cc1cc(F)cc(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])c1 ZINC001648807791 1081102839 /nfs/dbraw/zinc/10/28/39/1081102839.db2.gz OGFLBEZTOKOFQV-UHFFFAOYSA-N -1 1 360.388 4.440 20 30 FIEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccccc1CCC(F)(F)F ZINC000176966472 1081175857 /nfs/dbraw/zinc/17/58/57/1081175857.db2.gz CHRACTOVENHPCN-UHFFFAOYSA-N -1 1 368.380 4.162 20 30 FIEDMM Cn1ncc(C([O-])=C(C#N)c2ccc3ccccc3n2)c1Cc1ccccc1 ZINC000683688660 1081381802 /nfs/dbraw/zinc/38/18/02/1081381802.db2.gz DWQHPZBZWYVHQR-GOSISDBHSA-N -1 1 366.424 4.049 20 30 FIEDMM N#Cc1ccc(OCc2cccc(C(=O)Nc3c([O-])cccc3F)c2)cc1 ZINC000610339783 1081493148 /nfs/dbraw/zinc/49/31/48/1081493148.db2.gz ORPUHNPUWNLXDD-UHFFFAOYSA-N -1 1 362.360 4.234 20 30 FIEDMM N#Cc1cccc(OCc2cccc(C(=O)Nc3c([O-])cccc3F)c2)c1 ZINC000610339776 1081493765 /nfs/dbraw/zinc/49/37/65/1081493765.db2.gz OIYLELFEZKUWEW-UHFFFAOYSA-N -1 1 362.360 4.234 20 30 FIEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C3=CCCC3)cc2)n1 ZINC000581163779 1082353618 /nfs/dbraw/zinc/35/36/18/1082353618.db2.gz WTACIDKGFBCFQI-INIZCTEOSA-N -1 1 366.442 4.377 20 30 FIEDMM CC(C)NC(=O)c1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cc1 ZINC000430619460 1082724897 /nfs/dbraw/zinc/72/48/97/1082724897.db2.gz BGKRPTYAGZIBNT-OAHLLOKOSA-N -1 1 369.490 4.069 20 30 FIEDMM C=CCOc1cc(OC)ccc1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000156070806 1082898366 /nfs/dbraw/zinc/89/83/66/1082898366.db2.gz CNPQPAAXPIFNDL-OAHLLOKOSA-N -1 1 356.447 4.330 20 30 FIEDMM N#CC(=C([O-])c1ccc2c(c1)CCCCC2=O)c1nc(C2CC2)cs1 ZINC000647379658 1083377316 /nfs/dbraw/zinc/37/73/16/1083377316.db2.gz BCCNPAGCIMURKU-MRXNPFEDSA-N -1 1 350.443 4.420 20 30 FIEDMM N#Cc1cccc(COc2cccc(NC(=O)c3ccc([O-])c(F)c3)c2)c1 ZINC000613446160 1084749944 /nfs/dbraw/zinc/74/99/44/1084749944.db2.gz VNWGRSOLLYKJJN-UHFFFAOYSA-N -1 1 362.360 4.234 20 30 FIEDMM COc1cc(OC)cc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)c1 ZINC000119972961 1084751276 /nfs/dbraw/zinc/75/12/76/1084751276.db2.gz NZBXFSMYRWDNQW-CQSZACIVSA-N -1 1 372.833 4.457 20 30 FIEDMM C[C@@H](CC#N)Sc1ccccc1[N-]C(=O)c1c(F)cc(C#N)cc1F ZINC000151005814 1086716468 /nfs/dbraw/zinc/71/64/68/1086716468.db2.gz ZKSZOLCPUCMMNR-NSHDSACASA-N -1 1 357.385 4.483 20 30 FIEDMM Cc1cc([O-])c(C(=O)C=Cc2c(Cl)cccc2SC(C)C)c(=O)o1 ZINC000588601224 1087375293 /nfs/dbraw/zinc/37/52/93/1087375293.db2.gz DOWUSHGCBMMSFL-QWPQOLDESA-N -1 1 364.850 4.069 20 30 FIEDMM COc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c([O-])c1 ZINC000065680170 1087479705 /nfs/dbraw/zinc/47/97/05/1087479705.db2.gz SHUUSQMKMVJNEA-UHFFFAOYSA-N -1 1 360.369 4.317 20 30 FIEDMM CC(=O)c1ncc(C(=O)[N-]c2sc3c(c2C#N)C[C@H](C)C[C@@H]3C)s1 ZINC000415739653 1089884664 /nfs/dbraw/zinc/88/46/64/1089884664.db2.gz VWRSFIQQEUESRB-BDAKNGLRSA-N -1 1 359.476 4.217 20 30 FIEDMM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2n[n-]c(C(F)(F)F)n2)c1 ZINC000051266482 1090153685 /nfs/dbraw/zinc/15/36/85/1090153685.db2.gz YMLKRLWOFLQJNC-JTQLQIEISA-N -1 1 356.348 4.311 20 30 FIEDMM CCc1oc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1C ZINC000162455969 1090959146 /nfs/dbraw/zinc/95/91/46/1090959146.db2.gz MSHTWBUHQALXIV-LLVKDONJSA-N -1 1 365.216 4.418 20 30 FIEDMM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000511686729 1091541163 /nfs/dbraw/zinc/54/11/63/1091541163.db2.gz JMGGLHLNEAZYGP-GFCCVEGCSA-N -1 1 364.854 4.190 20 30 FIEDMM C=C(C)[C@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)c1ccc(F)c(F)c1 ZINC000443135881 1092960891 /nfs/dbraw/zinc/96/08/91/1092960891.db2.gz RBZXGBSHCSPXRP-INIZCTEOSA-N -1 1 367.779 4.380 20 30 FIEDMM COc1ccccc1Oc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000614293371 1093356807 /nfs/dbraw/zinc/35/68/07/1093356807.db2.gz CAABAZQGFSKEID-UHFFFAOYSA-N -1 1 360.369 4.317 20 30 FIEDMM CCN(CC)C(=O)c1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cc1 ZINC000474440235 1093787066 /nfs/dbraw/zinc/78/70/66/1093787066.db2.gz XDSZLLFLSOLLGG-INIZCTEOSA-N -1 1 369.490 4.239 20 30 FIEDMM Cc1ncoc1C(=O)[N-]c1cc(C(F)(F)F)ccc1SCCC#N ZINC000474572885 1094352721 /nfs/dbraw/zinc/35/27/21/1094352721.db2.gz GJFUCDAMWQSCQU-UHFFFAOYSA-N -1 1 355.341 4.260 20 30 FIEDMM Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000515695335 1098858045 /nfs/dbraw/zinc/85/80/45/1098858045.db2.gz MBRSBELRSTZGHP-UHFFFAOYSA-N -1 1 364.854 4.108 20 30 FIEDMM C=CCC(C)(C)c1nc(-c2cc(Br)c([O-])c(OCC)c2)no1 ZINC000436783165 1099313421 /nfs/dbraw/zinc/31/34/21/1099313421.db2.gz KWDAZTKPNMGPKH-UHFFFAOYSA-N -1 1 367.243 4.457 20 30 FIEDMM N#CCn1c(/C=C/c2ccc([O-])c(Br)c2)nc2ccccc21 ZINC000436932110 1099430132 /nfs/dbraw/zinc/43/01/32/1099430132.db2.gz MPGZVNKLMXLMAB-SOFGYWHQSA-N -1 1 354.207 4.198 20 30 FIEDMM N#Cc1c([N-]C(=O)c2ncc(F)cc2F)sc2c1-c1ccccc1CC2 ZINC000192206418 1099732081 /nfs/dbraw/zinc/73/20/81/1099732081.db2.gz XXCRHEVNKWFJDK-UHFFFAOYSA-N -1 1 367.380 4.311 20 30 FIEDMM N#Cc1ccccc1Oc1ccc([N-]S(=O)(=O)c2ccccc2)cc1F ZINC000438723722 1100884189 /nfs/dbraw/zinc/88/41/89/1100884189.db2.gz KWFZTYZRERABPV-UHFFFAOYSA-N -1 1 368.389 4.290 20 30 FIEDMM N#CC(=C([O-])c1cccc(-c2nc[nH]n2)c1)c1nc(-c2ccccc2)cs1 ZINC000551773607 1103613346 /nfs/dbraw/zinc/61/33/46/1103613346.db2.gz KOFHBNHUTVVVQK-MRXNPFEDSA-N -1 1 371.425 4.085 20 30 FIEDMM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)ccc1-c1ccncc1 ZINC000427639903 1105194935 /nfs/dbraw/zinc/19/49/35/1105194935.db2.gz SIFROIDFKURHBQ-UHFFFAOYSA-N -1 1 363.442 4.038 20 30 FIEDMM CC(C)(CCC#N)C[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451573538 1107187905 /nfs/dbraw/zinc/18/79/05/1107187905.db2.gz YHXMECQTCKZXIU-UHFFFAOYSA-N -1 1 356.900 4.163 20 30 FIEDMM Cc1csc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000453584740 1108644466 /nfs/dbraw/zinc/64/44/66/1108644466.db2.gz HPGTUWIEYGQJLQ-NSHDSACASA-N -1 1 369.471 4.136 20 30 FIEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc3ncsc3c2)c1 ZINC000479491283 1112044642 /nfs/dbraw/zinc/04/46/42/1112044642.db2.gz PGPXPRUSNPOFOZ-UHFFFAOYSA-N -1 1 360.460 4.052 20 30 FIEDMM Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000554518837 1112384171 /nfs/dbraw/zinc/38/41/71/1112384171.db2.gz NKUQLPLTGCEELV-UHFFFAOYSA-N -1 1 372.380 4.186 20 30 FIEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000554687589 1112442340 /nfs/dbraw/zinc/44/23/40/1112442340.db2.gz YPGQMGAMEWZUNW-UHFFFAOYSA-N -1 1 365.405 4.119 20 30 FIEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C3CCC3)cc2)n1 ZINC000482589526 1113304248 /nfs/dbraw/zinc/30/42/48/1113304248.db2.gz SRENEQXZJBTJKE-HNNXBMFYSA-N -1 1 354.431 4.077 20 30 FIEDMM C=CCN(Cc1ccccc1)Cn1c(=S)[n-]nc1Cc1cccs1 ZINC000058205540 1115139217 /nfs/dbraw/zinc/13/92/17/1115139217.db2.gz NFCLPHCFNXRLNE-UHFFFAOYSA-N -1 1 356.520 4.239 20 30 FIEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593212931 1115307150 /nfs/dbraw/zinc/30/71/50/1115307150.db2.gz GDDKGODWPICUNU-UHFFFAOYSA-N -1 1 354.475 4.407 20 30 FIEDMM CC(C)(C)c1csc([N-]C(=O)c2nscc2Br)c1C#N ZINC000593163224 1115583443 /nfs/dbraw/zinc/58/34/43/1115583443.db2.gz ODGVIMUJXUDION-UHFFFAOYSA-N -1 1 370.297 4.389 20 30 FIEDMM Cn1c2ccccc2c2cc(S(=O)(=O)[N-]c3cccc(C#N)c3)ccc21 ZINC000603831848 1115819316 /nfs/dbraw/zinc/81/93/16/1115819316.db2.gz IMOSYDFFAVDNIQ-UHFFFAOYSA-N -1 1 361.426 4.004 20 30 FIEDMM CCCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c(C)c1 ZINC000603987661 1115837265 /nfs/dbraw/zinc/83/72/65/1115837265.db2.gz XHGVEDPJUGCGEP-UHFFFAOYSA-N -1 1 364.854 4.110 20 30 FIEDMM CC(C)c1nc(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)cs1 ZINC000171146179 1115843326 /nfs/dbraw/zinc/84/33/26/1115843326.db2.gz RBUNSQNMVGTKQF-HNNXBMFYSA-N -1 1 363.442 4.381 20 30 FIEDMM O=C([N-]c1nnc(C(F)(F)F)s1)c1csc(Cc2ccccc2)n1 ZINC000030635663 1119061784 /nfs/dbraw/zinc/06/17/84/1119061784.db2.gz BWULNNKZJRJJNR-UHFFFAOYSA-N -1 1 370.381 4.241 20 30 FIEDMM CCCn1nc(C)c(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)c1C ZINC000177587518 1119338265 /nfs/dbraw/zinc/33/82/65/1119338265.db2.gz ZUIIWDGHIKVSMI-ZDUSSCGKSA-N -1 1 371.391 4.145 20 30 FIEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc3c(c2)NC(=O)[C@@H](C)S3)n1 ZINC000177751121 1119349375 /nfs/dbraw/zinc/34/93/75/1119349375.db2.gz JBOMVXPAFMHVCB-PWSUYJOCSA-N -1 1 371.487 4.189 20 30 FIEDMM C=C(C)C[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000184217161 1119599175 /nfs/dbraw/zinc/59/91/75/1119599175.db2.gz BWTUSOADUQEXPD-HNNXBMFYSA-N -1 1 358.463 4.028 20 30 FIEDMM Cc1c(Br)scc1C([O-])=C(C#N)c1nc2ccccc2[nH]1 ZINC000186987577 1119759833 /nfs/dbraw/zinc/75/98/33/1119759833.db2.gz VYEAIIZTQYSBFQ-SECBINFHSA-N -1 1 360.236 4.185 20 30 FIEDMM CCc1ccccc1S(=O)(=O)[N-]c1ccccc1S[C@@H](C)CC#N ZINC000187438559 1119783546 /nfs/dbraw/zinc/78/35/46/1119783546.db2.gz QIBNBCZEHUDDDL-AWEZNQCLSA-N -1 1 360.504 4.444 20 30 FIEDMM CCOc1cccc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)c1 ZINC000915955804 1121352912 /nfs/dbraw/zinc/35/29/12/1121352912.db2.gz KPYMEHLKJPENAJ-UHFFFAOYSA-N -1 1 370.503 4.140 20 30 FIEDMM N#Cc1cccc(COc2cccc(CN=Nc3ccccc3C(=O)[O-])c2)c1 ZINC000915956722 1121353698 /nfs/dbraw/zinc/35/36/98/1121353698.db2.gz ZPZHNJQJNGRTAH-UHFFFAOYSA-N -1 1 371.396 4.281 20 30 FIEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1ccc(OCc3ccncc3)cc1)O2 ZINC000915988777 1121368037 /nfs/dbraw/zinc/36/80/37/1121368037.db2.gz HDUPDTGBDMSIBP-RGVLZGJSSA-N -1 1 359.381 4.291 20 30 FIEDMM COc1ccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c([O-])c1 ZINC000032742978 1121423380 /nfs/dbraw/zinc/42/33/80/1121423380.db2.gz OSEMUZNRPJADPK-UHFFFAOYSA-N -1 1 374.396 4.104 20 30 FIEDMM CCc1ccc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)cc1 ZINC000916368448 1121482176 /nfs/dbraw/zinc/48/21/76/1121482176.db2.gz GARPXBJDAGQZES-UHFFFAOYSA-N -1 1 354.504 4.304 20 30 FIEDMM O=C(N([O-])Cc1cccc2ccccc21)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001649069908 1121542294 /nfs/dbraw/zinc/54/22/94/1121542294.db2.gz LONODVZTFJPDMI-UHFFFAOYSA-N -1 1 372.327 4.258 20 30 FIEDMM Cc1cc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cs1 ZINC000671745653 1121661278 /nfs/dbraw/zinc/66/12/78/1121661278.db2.gz IDVCHXJGACEAEQ-LBPRGKRZSA-N -1 1 369.471 4.136 20 30 FIEDMM Cc1csc(C(C#N)=C([O-])c2cccc(OCc3ccccc3C#N)c2)n1 ZINC000066504231 1122068600 /nfs/dbraw/zinc/06/86/00/1122068600.db2.gz BWRLPYPTCAVRMO-IBGZPJMESA-N -1 1 373.437 4.392 20 30 FIEDMM N#CCCCOc1cccc([N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000055640165 1122259711 /nfs/dbraw/zinc/25/97/11/1122259711.db2.gz DQFKSHNUGQUXNU-UHFFFAOYSA-N -1 1 366.442 4.323 20 30 FIEDMM CCC(N=Nc1ccc(Cl)c(C(=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000917532408 1122351125 /nfs/dbraw/zinc/35/11/25/1122351125.db2.gz JPEFJEYROKKBKH-UHFFFAOYSA-N -1 1 360.797 4.036 20 30 FIEDMM O=C([O-])c1ccccc1NN=Cc1c[nH]c2ccc(Br)cc12 ZINC000920953279 1123541569 /nfs/dbraw/zinc/54/15/69/1123541569.db2.gz FTULUGFGTSUEFC-UHFFFAOYSA-N -1 1 358.195 4.075 20 30 FIEDMM CCOC(=O)c1oc2c(c1C)C(=O)/C(=C/c1ccc([O-])c(Cl)c1)CC2 ZINC000921270710 1123610032 /nfs/dbraw/zinc/61/00/32/1123610032.db2.gz YKJIJTIHPBWDCD-XYOKQWHBSA-N -1 1 360.793 4.336 20 30 FIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCCC3)cc2)cc1 ZINC000609705735 1123803528 /nfs/dbraw/zinc/80/35/28/1123803528.db2.gz FFYRSUYCUJSJPO-UHFFFAOYSA-N -1 1 356.447 4.071 20 30 FIEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(SC(C)C)cc2)n1 ZINC000067897744 1123987179 /nfs/dbraw/zinc/98/71/79/1123987179.db2.gz YVCHXEDKVHIHTQ-AWEZNQCLSA-N -1 1 374.487 4.310 20 30 FIEDMM C[C@@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000108252039 1124270784 /nfs/dbraw/zinc/27/07/84/1124270784.db2.gz UOKOMNITVRTFIJ-LBPRGKRZSA-N -1 1 366.895 4.393 20 30 FIEDMM Cc1ccc(-c2ccncc2)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000076937050 1125067336 /nfs/dbraw/zinc/06/73/36/1125067336.db2.gz UXVARDLCBXJPGK-UHFFFAOYSA-N -1 1 363.442 4.038 20 30 FIEDMM C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000066814347 568071046 /nfs/dbraw/zinc/07/10/46/568071046.db2.gz BQKWRRBJWZSMQY-GFCCVEGCSA-N -1 1 350.440 4.021 20 30 FIEDMM N#CC(=C([O-])c1cccc(-n2cccn2)c1)c1nc2cc(F)ccc2s1 ZINC000604929516 568397945 /nfs/dbraw/zinc/39/79/45/568397945.db2.gz ARKFVRPMEFLGTM-HNNXBMFYSA-N -1 1 362.389 4.111 20 30 FIEDMM O=C(NC(CCC(F)(F)F)CCC(F)(F)F)c1cc(F)ccc1[O-] ZINC000619126649 1125475944 /nfs/dbraw/zinc/47/59/44/1125475944.db2.gz KAPYPZNWAAZUKR-UHFFFAOYSA-N -1 1 361.257 4.315 20 30 FIEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccccc2Cc2ccccc2)c1 ZINC000619461296 1125596285 /nfs/dbraw/zinc/59/62/85/1125596285.db2.gz IJKVIOBHFISXDD-UHFFFAOYSA-N -1 1 362.454 4.144 20 30 FIEDMM CCOC(=O)c1sc([N-]C(=O)c2coc(C3CCCC3)n2)c(C#N)c1C ZINC000619743715 1125676118 /nfs/dbraw/zinc/67/61/18/1125676118.db2.gz IZWLMJZHXZAEHX-UHFFFAOYSA-N -1 1 373.434 4.003 20 30 FIEDMM Cc1cc(C(=O)/C=C\c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1[O-] ZINC000728232458 1080723527 /nfs/dbraw/zinc/72/35/27/1080723527.db2.gz SVLDFVVGNUAARP-TWGQIWQCSA-N -1 1 366.417 4.495 20 30 FIEDMM N#CC(=C([O-])c1ccc2ncccc2c1)c1nc(-c2ccncc2)cs1 ZINC000120059867 1080891236 /nfs/dbraw/zinc/89/12/36/1080891236.db2.gz NMPPAUNDMLRWRP-MRXNPFEDSA-N -1 1 356.410 4.243 20 30 FIEDMM C[C@]1(Cc2ccc(F)c(Cl)c2)CCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC001648881907 1081341789 /nfs/dbraw/zinc/34/17/89/1081341789.db2.gz RHLNKKXJKSWCQP-HXUWFJFHSA-N -1 1 372.827 4.294 20 30 FIEDMM CN(C)c1cc(C#N)cc(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)c1 ZINC001167445196 1082301494 /nfs/dbraw/zinc/30/14/94/1082301494.db2.gz UYDUQPPOBREMGZ-UHFFFAOYSA-N -1 1 365.820 4.389 20 30 FIEDMM O=S(=O)([N-]c1cc(F)cc(F)c1F)c1ccc(F)cc1C(F)(F)F ZINC000431153549 1083355082 /nfs/dbraw/zinc/35/50/82/1083355082.db2.gz RHVGXDOAUIBTHA-UHFFFAOYSA-N -1 1 373.249 4.063 20 30 FIEDMM N#CC(=C([O-])c1ccc2[nH]c(C(F)F)nc2c1)c1nc(C2CC2)cs1 ZINC000647377703 1083374119 /nfs/dbraw/zinc/37/41/19/1083374119.db2.gz FHFBPFAUVVQDBW-SNVBAGLBSA-N -1 1 358.373 4.324 20 30 FIEDMM COc1cc(OC)cc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)c1 ZINC000119973119 1084752277 /nfs/dbraw/zinc/75/22/77/1084752277.db2.gz NZBXFSMYRWDNQW-AWEZNQCLSA-N -1 1 372.833 4.457 20 30 FIEDMM C=CCOc1ccc(Br)cc1NC(=O)c1ccc([O-])cc1F ZINC001299166036 1087101518 /nfs/dbraw/zinc/10/15/18/1087101518.db2.gz FIUNNTJOSXEJQH-UHFFFAOYSA-N -1 1 366.186 4.111 20 30 FIEDMM CCCCOc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000511275811 1087541179 /nfs/dbraw/zinc/54/11/79/1087541179.db2.gz IBFLJRHZDOHXIU-UHFFFAOYSA-N -1 1 364.854 4.191 20 30 FIEDMM N#CC(=C([O-])c1cccc(OC[C@@H]2CCCO2)c1)c1nc(C2CC2)cs1 ZINC000647376817 1087798862 /nfs/dbraw/zinc/79/88/62/1087798862.db2.gz ZVWIODPIFNTRNC-IRXDYDNUSA-N -1 1 368.458 4.068 20 30 FIEDMM Cc1nc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)sc1SCC#N ZINC000589835274 1088764856 /nfs/dbraw/zinc/76/48/56/1088764856.db2.gz LZTUIKWFCXBHNR-UHFFFAOYSA-N -1 1 373.381 4.044 20 30 FIEDMM CCCCn1ncc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)c1C ZINC000435743159 1089919534 /nfs/dbraw/zinc/91/95/34/1089919534.db2.gz ZBTDBQXHWBNODV-ZDUSSCGKSA-N -1 1 371.391 4.227 20 30 FIEDMM C[C@@H]1CCCc2ncc(C([O-])=C(C#N)c3nc4cc(F)ccc4s3)n21 ZINC000651297200 1090118877 /nfs/dbraw/zinc/11/88/77/1090118877.db2.gz CBWZPHVNQKDCBU-ZYHUDNBSSA-N -1 1 354.410 4.019 20 30 FIEDMM C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000051266439 1090153990 /nfs/dbraw/zinc/15/39/90/1090153990.db2.gz BMEDDRXFAMYQBP-SECBINFHSA-N -1 1 356.348 4.177 20 30 FIEDMM CCN(CC)[C@H](C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccco1 ZINC000067005685 1091794321 /nfs/dbraw/zinc/79/43/21/1091794321.db2.gz WRXSGUNJUGCAKU-GDXCHIGESA-N -1 1 365.817 4.049 20 30 FIEDMM CC(C)c1ccc2c(c1)C(=N[N-]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)N2 ZINC000006672652 1091845264 /nfs/dbraw/zinc/84/52/64/1091845264.db2.gz BUIZDTFTQCYMNV-UHFFFAOYSA-N -1 1 369.337 4.044 20 30 FIEDMM N#Cc1cc(NC(=O)Nc2ccc([O-])c(Cl)c2)ccc1OC(F)(F)F ZINC000442083810 1092415497 /nfs/dbraw/zinc/41/54/97/1092415497.db2.gz SQHSNZDSMKYBKH-UHFFFAOYSA-N -1 1 371.702 4.460 20 30 FIEDMM CCCN(Cc1ccccc1Br)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442870518 1092819015 /nfs/dbraw/zinc/81/90/15/1092819015.db2.gz KKQBUNPWLHYCSW-UHFFFAOYSA-N -1 1 373.250 4.079 20 30 FIEDMM CCOc1ccc([C@@H](NC(=O)c2ccc(C#N)c([O-])c2)c2ccccc2)cc1 ZINC000442874903 1092823281 /nfs/dbraw/zinc/82/32/81/1092823281.db2.gz MYDITDXFDVXZJL-QFIPXVFZSA-N -1 1 372.424 4.182 20 30 FIEDMM N#Cc1ccc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)cc1[O-] ZINC000443049702 1092920580 /nfs/dbraw/zinc/92/05/80/1092920580.db2.gz PFNADBTZAYFXHW-UHFFFAOYSA-N -1 1 374.362 4.302 20 30 FIEDMM N#Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)cc1[O-] ZINC000443110975 1092945843 /nfs/dbraw/zinc/94/58/43/1092945843.db2.gz PLAMXPXVRUWPJM-WBVHZDCISA-N -1 1 374.362 4.349 20 30 FIEDMM N#Cc1ccc(C(=O)NC2(c3cccc(C(F)(F)F)c3)CCC2)cc1[O-] ZINC000443288262 1093035883 /nfs/dbraw/zinc/03/58/83/1093035883.db2.gz LHTOQTZKOWCUPS-UHFFFAOYSA-N -1 1 360.335 4.092 20 30 FIEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000443420302 1093117637 /nfs/dbraw/zinc/11/76/37/1093117637.db2.gz UBHAFHKKEWUDBV-UHFFFAOYSA-N -1 1 371.380 4.347 20 30 FIEDMM Cc1nc(NC(=O)c2cc([O-])cc(C#N)c2)sc1Cc1ccccc1F ZINC000614297228 1093351126 /nfs/dbraw/zinc/35/11/26/1093351126.db2.gz YXFXMIMVFPTUIG-UHFFFAOYSA-N -1 1 367.405 4.011 20 30 FIEDMM CCc1cccc2c(C3CCN(C(=O)c4cc([O-])cc(C#N)c4)CC3)c[nH]c21 ZINC000614297226 1093351311 /nfs/dbraw/zinc/35/13/11/1093351311.db2.gz YTAFQTQDHZFHSX-UHFFFAOYSA-N -1 1 373.456 4.327 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)c1 ZINC000614293498 1093354831 /nfs/dbraw/zinc/35/48/31/1093354831.db2.gz LCYKKVIMAWSFQD-UHFFFAOYSA-N -1 1 369.833 4.217 20 30 FIEDMM CCn1c(C)cc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)c1C ZINC000114620568 1093659763 /nfs/dbraw/zinc/65/97/63/1093659763.db2.gz KUHOAEIKZMOKDG-MRXNPFEDSA-N -1 1 350.447 4.133 20 30 FIEDMM N#Cc1ccc(C2=CCN(C(=O)c3ccc4ccccc4c3[O-])CC2)cc1 ZINC000439059312 1101108636 /nfs/dbraw/zinc/10/86/36/1101108636.db2.gz NEHWVULFOGYTPC-UHFFFAOYSA-N -1 1 354.409 4.347 20 30 FIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc[nH]3)cc2)cc1Cl ZINC000537158207 1101504378 /nfs/dbraw/zinc/50/43/78/1101504378.db2.gz QJFYPPGBABKJDH-UHFFFAOYSA-N -1 1 357.822 4.008 20 30 FIEDMM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2oc(C3CC3)nc2C)cc1 ZINC000760185158 1101587746 /nfs/dbraw/zinc/58/77/46/1101587746.db2.gz YIAFOUQPPSGQJF-SJKOYZFVSA-N -1 1 365.433 4.335 20 30 FIEDMM Cc1c(Cl)cc([N-]S(=O)(=O)c2ccccc2CC#N)cc1Cl ZINC000475785431 1101811615 /nfs/dbraw/zinc/81/16/15/1101811615.db2.gz DLOKQZNLUCJFFY-UHFFFAOYSA-N -1 1 355.246 4.169 20 30 FIEDMM C=CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000102321642 1104391559 /nfs/dbraw/zinc/39/15/59/1104391559.db2.gz XHNJWZCNKBSWDN-UHFFFAOYSA-N -1 1 364.854 4.046 20 30 FIEDMM C=CCCCS(=O)(=O)[N-]c1cccc(-c2ccc(F)cc2Cl)n1 ZINC000427644124 1105214240 /nfs/dbraw/zinc/21/42/40/1105214240.db2.gz GBDNELNMKZPMFC-UHFFFAOYSA-N -1 1 354.834 4.249 20 30 FIEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(-c2ccncc2)c(C)c1 ZINC000427652105 1105227982 /nfs/dbraw/zinc/22/79/82/1105227982.db2.gz SUHCEGMMPRWVTR-UHFFFAOYSA-N -1 1 363.442 4.038 20 30 FIEDMM Cc1sccc1C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000453579468 1108641068 /nfs/dbraw/zinc/64/10/68/1108641068.db2.gz ASWZQFSUDDEVPN-LBPRGKRZSA-N -1 1 369.471 4.136 20 30 FIEDMM N#Cc1ccc(Oc2ccc(-c3nc(-c4ccc([O-])cc4F)no3)cc2)nc1 ZINC000445459737 1108793067 /nfs/dbraw/zinc/79/30/67/1108793067.db2.gz GPQCDGPVDJUYPI-UHFFFAOYSA-N -1 1 374.331 4.307 20 30 FIEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc2oc3ccccc3c2c1 ZINC000527247033 1109721726 /nfs/dbraw/zinc/72/17/26/1109721726.db2.gz QXFPUZBAWCGBPS-UHFFFAOYSA-N -1 1 362.410 4.453 20 30 FIEDMM C=CCOc1ccccc1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000482555792 1113298040 /nfs/dbraw/zinc/29/80/40/1113298040.db2.gz QTELGJXKDHFXMG-UHFFFAOYSA-N -1 1 362.223 4.280 20 30 FIEDMM CSCc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)cc1 ZINC000593203799 1115306006 /nfs/dbraw/zinc/30/60/06/1115306006.db2.gz HFYUVFADCACVEG-UHFFFAOYSA-N -1 1 360.504 4.152 20 30 FIEDMM C[C@@H]1CCc2sc([N-]C(=O)c3ncoc3-c3ccon3)c(C#N)c2[C@H]1C ZINC000598849278 1115762351 /nfs/dbraw/zinc/76/23/51/1115762351.db2.gz ZTCBTAPBMWZJHG-ZJUUUORDSA-N -1 1 368.418 4.201 20 30 FIEDMM CC(C)(Cc1ccc(C(F)(F)F)cc1)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000443379809 1118177506 /nfs/dbraw/zinc/17/75/06/1118177506.db2.gz ADMDMSVTMSQFJD-UHFFFAOYSA-N -1 1 362.351 4.034 20 30 FIEDMM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000443403297 1118229243 /nfs/dbraw/zinc/22/92/43/1118229243.db2.gz AHOUGBGYLIRLBM-UHFFFAOYSA-N -1 1 368.380 4.249 20 30 FIEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc(C(=O)c3cc[nH]c3)cc2)n1 ZINC000176615269 1119285461 /nfs/dbraw/zinc/28/54/61/1119285461.db2.gz VNJRXNAPMTXQHB-INIZCTEOSA-N -1 1 363.442 4.316 20 30 FIEDMM N#CC(=C([O-])c1ccc(N2CCCC2)nc1)c1nc(-c2ccccc2)cs1 ZINC000187130491 1119768610 /nfs/dbraw/zinc/76/86/10/1119768610.db2.gz VPLZLXVPOOXQHC-QGZVFWFLSA-N -1 1 374.469 4.295 20 30 FIEDMM CCN(C(=O)c1cc(Cl)c([O-])c(OC)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000153648964 1121006567 /nfs/dbraw/zinc/00/65/67/1121006567.db2.gz RWJOGWDGDBJGDI-LBPRGKRZSA-N -1 1 358.825 4.149 20 30 FIEDMM N#Cc1ccc(C(=O)N2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)cc1[O-] ZINC000552796649 1121201007 /nfs/dbraw/zinc/20/10/07/1121201007.db2.gz HVZBAGSFCAWASZ-INIZCTEOSA-N -1 1 374.362 4.302 20 30 FIEDMM O=C(N([O-])Cc1ccc(F)cc1)C(F)(F)c1ccc(Br)cc1 ZINC001649075921 1121575827 /nfs/dbraw/zinc/57/58/27/1121575827.db2.gz KCLLZIZEHWMNBS-UHFFFAOYSA-N -1 1 374.156 4.098 20 30 FIEDMM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2noc3c2CCCC3)cc1 ZINC000916951177 1121974065 /nfs/dbraw/zinc/97/40/65/1121974065.db2.gz XOTUASWCLBUKHN-GUYCJALGSA-N -1 1 365.433 4.028 20 30 FIEDMM COCc1ccc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 ZINC000066544766 1122072495 /nfs/dbraw/zinc/07/24/95/1122072495.db2.gz XNUQDFHYWHIDML-SFHVURJKSA-N -1 1 373.437 4.318 20 30 FIEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc(OCC)c3ccccc32)c1 ZINC000919957846 1123284474 /nfs/dbraw/zinc/28/44/74/1123284474.db2.gz XLHNBULYVQWNCF-UHFFFAOYSA-N -1 1 351.427 4.021 20 30 FIEDMM CC(C)(Cc1ccc(C(F)(F)F)cc1)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000615495200 1124019923 /nfs/dbraw/zinc/01/99/23/1124019923.db2.gz QHRUXKOLUTVOEB-UHFFFAOYSA-N -1 1 362.351 4.034 20 30 FIEDMM CCC(C)(C)OCc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000542723010 1124149259 /nfs/dbraw/zinc/14/92/59/1124149259.db2.gz GNHULRDYVXFGIQ-UHFFFAOYSA-N -1 1 358.463 4.064 20 30 FIEDMM CC[C@@H](C)n1ncc(C([O-])=C(C#N)c2nc3ccccc3n2C)c1C1CC1 ZINC000089964393 1124972190 /nfs/dbraw/zinc/97/21/90/1124972190.db2.gz XABPWXQCQAAHQP-UKRRQHHQSA-N -1 1 361.449 4.108 20 30 FIEDMM Cc1noc(C(F)F)c1C(=O)[N-]c1ccccc1SC[C@H](C)C#N ZINC000610431416 1081860172 /nfs/dbraw/zinc/86/01/72/1081860172.db2.gz MDLXKNDELUOJFT-SECBINFHSA-N -1 1 351.378 4.425 20 30 FIEDMM O=C(/C=C\c1ccc([O-])c(Cl)c1)c1cc2c(s1)SCC(=O)N2 ZINC000588402852 1082382961 /nfs/dbraw/zinc/38/29/61/1082382961.db2.gz JLRSPKRIBOVTRV-RQOWECAXSA-N -1 1 351.836 4.047 20 30 FIEDMM CCCNC(=O)c1cccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000430616034 1082692565 /nfs/dbraw/zinc/69/25/65/1082692565.db2.gz FEPJNNUUIIKJDO-HNNXBMFYSA-N -1 1 369.490 4.070 20 30 FIEDMM COc1cc(C(=O)[O-])ccc1N=NC(C)c1cc(Br)cs1 ZINC000782256264 1082784940 /nfs/dbraw/zinc/78/49/40/1082784940.db2.gz ZIDXRIZMRQQWIC-UHFFFAOYSA-N -1 1 369.240 4.054 20 30 FIEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(Sc3ccccc3)cc2)c(=O)o1 ZINC000255696301 1083422127 /nfs/dbraw/zinc/42/21/27/1083422127.db2.gz SKQWKWDMLZSRGU-DBBZSVRUSA-N -1 1 364.422 4.066 20 30 FIEDMM CCN(CC)[C@H](C/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccco1 ZINC000255514070 1085147694 /nfs/dbraw/zinc/14/76/94/1085147694.db2.gz WRXSGUNJUGCAKU-SMLKNPDNSA-N -1 1 365.817 4.049 20 30 FIEDMM CC(=O)c1ncc(C(=O)[N-]c2sc3c(c2C#N)[C@H](C)C[C@H](C)C3)s1 ZINC000415733072 1089876134 /nfs/dbraw/zinc/87/61/34/1089876134.db2.gz APVJOKOPNAWJJU-DTWKUNHWSA-N -1 1 359.476 4.217 20 30 FIEDMM CCN(CC)[C@@H](C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccco1 ZINC000067005682 1091794340 /nfs/dbraw/zinc/79/43/40/1091794340.db2.gz WRXSGUNJUGCAKU-RPJLVFAOSA-N -1 1 365.817 4.049 20 30 FIEDMM CC(C)(C)Cc1nc2cc([N-]S(=O)(=O)c3cccc(C#N)c3)ccc2o1 ZINC000520924121 1092359012 /nfs/dbraw/zinc/35/90/12/1092359012.db2.gz JUHBKZXJRQRHTF-UHFFFAOYSA-N -1 1 369.446 4.089 20 30 FIEDMM N#Cc1ccc(C(=O)N2CCC(c3cccc4ccccc43)CC2)cc1[O-] ZINC000442931823 1092863704 /nfs/dbraw/zinc/86/37/04/1092863704.db2.gz BDIXZTOUVFSQSV-UHFFFAOYSA-N -1 1 356.425 4.437 20 30 FIEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000443126319 1092955376 /nfs/dbraw/zinc/95/53/76/1092955376.db2.gz ARSIKQCLJAEROV-VXGBXAGGSA-N -1 1 362.351 4.205 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(NCCc3ccccc3)cc2)c1 ZINC000614298186 1093353064 /nfs/dbraw/zinc/35/30/64/1093353064.db2.gz HLLYGUOZNPAYLZ-UHFFFAOYSA-N -1 1 357.413 4.171 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)NCCC(c2ccccc2)c2ccccc2)c1 ZINC000614293409 1093356302 /nfs/dbraw/zinc/35/63/02/1093356302.db2.gz OCNPBMQSFYCWGW-UHFFFAOYSA-N -1 1 356.425 4.216 20 30 FIEDMM CCn1c(C)cc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)c1C ZINC000114620570 1093660043 /nfs/dbraw/zinc/66/00/43/1093660043.db2.gz KUHOAEIKZMOKDG-INIZCTEOSA-N -1 1 350.447 4.133 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc3nc(Cc4ccccc4)oc3c2)c1 ZINC000614371717 1093773382 /nfs/dbraw/zinc/77/33/82/1093773382.db2.gz HNLHQSFTIOMMAU-UHFFFAOYSA-N -1 1 369.380 4.248 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)N(CCc2cccc(F)c2)C2CCCC2)c1 ZINC000614375205 1093775919 /nfs/dbraw/zinc/77/59/19/1093775919.db2.gz KJDGXJFCYAOAGR-UHFFFAOYSA-N -1 1 352.409 4.030 20 30 FIEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(-c3ccccc3Cl)s2)c(=O)o1 ZINC000120780572 1095686700 /nfs/dbraw/zinc/68/67/00/1095686700.db2.gz IDXNCPSHIMUNMW-IWHGQQBYSA-N -1 1 372.829 4.297 20 30 FIEDMM N#Cc1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)ccc1Cl ZINC000515615609 1098766670 /nfs/dbraw/zinc/76/66/70/1098766670.db2.gz ZLCSUQFKHQYSQB-UHFFFAOYSA-N -1 1 360.744 4.031 20 30 FIEDMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1Cl ZINC000515630601 1098775942 /nfs/dbraw/zinc/77/59/42/1098775942.db2.gz ALADISMOIUWUSX-UHFFFAOYSA-N -1 1 371.245 4.065 20 30 FIEDMM CC(F)(F)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000436179615 1098804543 /nfs/dbraw/zinc/80/45/43/1098804543.db2.gz OUODKMPYSATCHV-UHFFFAOYSA-N -1 1 356.781 4.124 20 30 FIEDMM C=CCNC(=O)Nc1ccc(NC(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000436752476 1099288302 /nfs/dbraw/zinc/28/83/02/1099288302.db2.gz AYCORCPNWAIGCV-UHFFFAOYSA-N -1 1 361.401 4.105 20 30 FIEDMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(C#N)c(C(F)(F)F)c1 ZINC000438780008 1100914070 /nfs/dbraw/zinc/91/40/70/1100914070.db2.gz WBTJYJRIPJQXNZ-UHFFFAOYSA-N -1 1 374.771 4.340 20 30 FIEDMM CSc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1C ZINC000536993930 1101373771 /nfs/dbraw/zinc/37/37/71/1101373771.db2.gz QGPTXPZTWDVTDK-UHFFFAOYSA-N -1 1 352.868 4.043 20 30 FIEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(OC2CCCC2)c(F)c1 ZINC000475803811 1101903142 /nfs/dbraw/zinc/90/31/42/1101903142.db2.gz LDFRDWQHCOCLIQ-UHFFFAOYSA-N -1 1 374.437 4.014 20 30 FIEDMM Cc1c(COC(C)(C)C)cccc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000475812653 1101934254 /nfs/dbraw/zinc/93/42/54/1101934254.db2.gz JLHBVCZRIBATHW-UHFFFAOYSA-N -1 1 372.490 4.177 20 30 FIEDMM CCCc1ccc(S(=O)(=O)[N-]c2ccccc2SCCC#N)cc1 ZINC000519399693 1102170591 /nfs/dbraw/zinc/17/05/91/1102170591.db2.gz BNXZHYNJFARLDX-UHFFFAOYSA-N -1 1 360.504 4.446 20 30 FIEDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(C(C)(C)C)cc1O ZINC000330387606 1104626546 /nfs/dbraw/zinc/62/65/46/1104626546.db2.gz BWAUIJQOBPILJA-UHFFFAOYSA-N -1 1 357.454 4.428 20 30 FIEDMM C=C[C@@](C)(CC)C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000190556964 1104926599 /nfs/dbraw/zinc/92/65/99/1104926599.db2.gz CUJYPPJEISCBTP-FQEVSTJZSA-N -1 1 372.490 4.337 20 30 FIEDMM C[C@H]1CCc2c(C#N)c([N-]C(=O)c3c(F)cc(C#N)cc3F)sc2C1 ZINC000530788199 1107327267 /nfs/dbraw/zinc/32/72/67/1107327267.db2.gz BDUOQBOFJIFBHZ-VIFPVBQESA-N -1 1 357.385 4.147 20 30 FIEDMM CCOc1cc(-c2noc(CCc3ccc(C#N)cc3)n2)cc(Cl)c1[O-] ZINC000445408954 1108733541 /nfs/dbraw/zinc/73/35/41/1108733541.db2.gz AAPGFLLAVSYFII-UHFFFAOYSA-N -1 1 369.808 4.151 20 30 FIEDMM CCc1c(C([O-])=C(C#N)c2nc3ccccc3n2C)cnn1C(CC)CC ZINC000482572219 1113300877 /nfs/dbraw/zinc/30/08/77/1113300877.db2.gz BDTZUPAUDJCAQZ-OAHLLOKOSA-N -1 1 363.465 4.183 20 30 FIEDMM N#CCc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)cc1 ZINC000488286235 1113899981 /nfs/dbraw/zinc/89/99/81/1113899981.db2.gz AILNURGHYNONJD-UHFFFAOYSA-N -1 1 374.771 4.226 20 30 FIEDMM N#CCCCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000055640020 1114503391 /nfs/dbraw/zinc/50/33/91/1114503391.db2.gz RZOGJNVHBFDRBI-UHFFFAOYSA-N -1 1 370.474 4.049 20 30 FIEDMM C[C@@H]1C[C@H](C)Cc2c(C#N)c([N-]C(=O)c3ncoc3-c3ccon3)sc21 ZINC000598839473 1115759757 /nfs/dbraw/zinc/75/97/57/1115759757.db2.gz SMSZSRSSHGPBSE-VHSXEESVSA-N -1 1 368.418 4.201 20 30 FIEDMM O=C(C1=NO[C@H](c2ccccc2)C1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001649025839 1121260533 /nfs/dbraw/zinc/26/05/33/1121260533.db2.gz CXIJMUAGKXYWSP-INIZCTEOSA-N -1 1 365.216 4.229 20 30 FIEDMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(OCCCC#N)c1 ZINC000055639946 1122259600 /nfs/dbraw/zinc/25/96/00/1122259600.db2.gz QVASSTRTTYZABI-UHFFFAOYSA-N -1 1 364.854 4.132 20 30 FIEDMM C=C[C@@](C)(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000135514772 1123769233 /nfs/dbraw/zinc/76/92/33/1123769233.db2.gz TZDQAJIGIYICTQ-IBGZPJMESA-N -1 1 358.463 4.028 20 30 FIEDMM CC(C)c1csc(C(C#N)=C([O-])c2cccc(NC(=O)NC3CC3)c2)n1 ZINC000080450095 1123965872 /nfs/dbraw/zinc/96/58/72/1123965872.db2.gz GVEPGYDDCZEZPX-HNNXBMFYSA-N -1 1 368.462 4.040 20 30 FIEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C(C)(C)C)cc2)n1 ZINC000067895628 1123982972 /nfs/dbraw/zinc/98/29/72/1123982972.db2.gz MRPFJQRTWNKCMT-CQSZACIVSA-N -1 1 356.447 4.107 20 30 FIEDMM CCC(C)(C)OCc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000542736120 1124174604 /nfs/dbraw/zinc/17/46/04/1124174604.db2.gz VQNGDWABGJJALZ-UHFFFAOYSA-N -1 1 372.490 4.373 20 30 FIEDMM Cc1c(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cnn1C(C)(C)C ZINC000051656161 568139833 /nfs/dbraw/zinc/13/98/33/568139833.db2.gz XGQGJMYBJBGIFY-GFCCVEGCSA-N -1 1 371.391 4.181 20 30 FIEDMM COc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c([O-])c1 ZINC000436697025 568345298 /nfs/dbraw/zinc/34/52/98/568345298.db2.gz LFYWOPUCOMCHDH-UHFFFAOYSA-N -1 1 360.369 4.317 20 30 FIEDMM N#CC(=C([O-])c1ccc2[nH]c(=O)oc2c1)c1nc(-c2ccccc2)cs1 ZINC000619753878 1125680844 /nfs/dbraw/zinc/68/08/44/1125680844.db2.gz RWGZZHMQGIXLNC-CYBMUJFWSA-N -1 1 361.382 4.147 20 30 FIEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(-c3ccccc3Cl)s2)c(=O)o1 ZINC000255029099 1080426672 /nfs/dbraw/zinc/42/66/72/1080426672.db2.gz IDXNCPSHIMUNMW-XOWYPZSQSA-N -1 1 372.829 4.297 20 30 FIEDMM COCc1nc(C(=O)[N-]c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)co1 ZINC000547865470 1080990189 /nfs/dbraw/zinc/99/01/89/1080990189.db2.gz HBDFQSHBNUYZOO-NSHDSACASA-N -1 1 373.478 4.157 20 30 FIEDMM COc1ccc([C@@H]([N-]C(=O)CC(F)(F)C(F)(F)F)C(F)(F)F)cc1 ZINC001266548034 1081462157 /nfs/dbraw/zinc/46/21/57/1081462157.db2.gz NXCCSWPLJBICDS-SNVBAGLBSA-N -1 1 365.220 4.003 20 30 FIEDMM N#Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)cc(C(F)(F)F)c2)c1 ZINC000391220174 1081790172 /nfs/dbraw/zinc/79/01/72/1081790172.db2.gz KTUNYARJULFOFE-UHFFFAOYSA-N -1 1 360.744 4.031 20 30 FIEDMM CN(C)C(=O)Nc1cccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000430620657 1082726596 /nfs/dbraw/zinc/72/65/96/1082726596.db2.gz CGTZUXKTBLXHOA-CQSZACIVSA-N -1 1 370.478 4.024 20 30 FIEDMM O=S(=O)([N-]c1cc(F)cc(F)c1F)c1cc(C(F)(F)F)ccc1F ZINC000431167985 1083367395 /nfs/dbraw/zinc/36/73/95/1083367395.db2.gz NEOXBMXALBQSHJ-UHFFFAOYSA-N -1 1 373.249 4.063 20 30 FIEDMM CC(C)(C)c1cc([N-]C(=O)c2cnc(-c3ncccn3)s2)c(C#N)s1 ZINC000179542659 1083558688 /nfs/dbraw/zinc/55/86/88/1083558688.db2.gz GZELVJLAUPJJOK-UHFFFAOYSA-N -1 1 369.475 4.083 20 30 FIEDMM C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684873285 1085003615 /nfs/dbraw/zinc/00/36/15/1085003615.db2.gz VNPAACJSIYNJDI-UHFFFAOYSA-N -1 1 365.351 4.248 20 30 FIEDMM C[C@H](C#N)CSc1ccccc1[N-]C(=O)c1c(F)cc(C#N)cc1F ZINC000150921809 1086600741 /nfs/dbraw/zinc/60/07/41/1086600741.db2.gz TUUBYATYFJDMQM-LLVKDONJSA-N -1 1 357.385 4.341 20 30 FIEDMM CC(=O)c1ncc(C(=O)[N-]c2sc3c(c2C#N)[C@@H](C)[C@H](C)CC3)s1 ZINC000415742115 1089884335 /nfs/dbraw/zinc/88/43/35/1089884335.db2.gz ZYGAJEQZFDHNFE-BDAKNGLRSA-N -1 1 359.476 4.217 20 30 FIEDMM CC(=O)c1ncc(C(=O)[N-]c2sc3c(c2C#N)C[C@H](C)C[C@H]3C)s1 ZINC000415739810 1089885088 /nfs/dbraw/zinc/88/50/88/1089885088.db2.gz VWRSFIQQEUESRB-RKDXNWHRSA-N -1 1 359.476 4.217 20 30 FIEDMM C=C[C@@H](CCC(=O)[O-])NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000417632128 1090945628 /nfs/dbraw/zinc/94/56/28/1090945628.db2.gz WGWWGCLIBSJUHP-ZDUSSCGKSA-N -1 1 370.396 4.338 20 30 FIEDMM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000511725679 1091564575 /nfs/dbraw/zinc/56/45/75/1091564575.db2.gz COIWBVBUKNPPFE-LBPRGKRZSA-N -1 1 364.854 4.190 20 30 FIEDMM Cc1sc(Br)c(C([O-])=C(C#N)c2cc(C)nc(C)n2)c1C ZINC000442138680 1092446568 /nfs/dbraw/zinc/44/65/68/1092446568.db2.gz QCUMDRHAFGYDDJ-NSHDSACASA-N -1 1 364.268 4.024 20 30 FIEDMM CSc1nc(C([O-])=C(C#N)c2nc3ccccc3s2)c2ccccn12 ZINC000442615162 1092688862 /nfs/dbraw/zinc/68/88/62/1092688862.db2.gz ISNNRTKETSGRPY-NSHDSACASA-N -1 1 364.455 4.156 20 30 FIEDMM COc1ccc([C@H](NC(=O)c2ccc(C#N)c([O-])c2)c2ccc(C)cc2)cc1 ZINC000442939609 1092876036 /nfs/dbraw/zinc/87/60/36/1092876036.db2.gz ABIPXAKPFNAQFV-JOCHJYFZSA-N -1 1 372.424 4.100 20 30 FIEDMM N#Cc1ccc(C(=O)N2CC=C(c3ccccc3C(F)(F)F)CC2)cc1[O-] ZINC000443060477 1092923282 /nfs/dbraw/zinc/92/32/82/1092923282.db2.gz RZMPKJYNPCQICI-UHFFFAOYSA-N -1 1 372.346 4.212 20 30 FIEDMM N#Cc1ccc(C(=O)NC[C@H](Cc2ccccc2)c2ccccc2)cc1[O-] ZINC000443286527 1093028981 /nfs/dbraw/zinc/02/89/81/1093028981.db2.gz VDGSOAGKYIOEFK-NRFANRHFSA-N -1 1 356.425 4.020 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H](c2cccs2)c2ccc(Cl)cc2)c1 ZINC000614296563 1093351978 /nfs/dbraw/zinc/35/19/78/1093351978.db2.gz IHDSDRPNCHMESI-GOSISDBHSA-N -1 1 368.845 4.498 20 30 FIEDMM C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)C(c1ccccc1)c1ccccc1 ZINC000614295189 1093357055 /nfs/dbraw/zinc/35/70/55/1093357055.db2.gz GCDKEKXVBPYCSH-INIZCTEOSA-N -1 1 356.425 4.214 20 30 FIEDMM Cc1cc(OCc2ccccc2)ccc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614369909 1093766983 /nfs/dbraw/zinc/76/69/83/1093766983.db2.gz RAOOVXWKQFEURW-UHFFFAOYSA-N -1 1 358.397 4.404 20 30 FIEDMM C=CCN(CC=C)C(=O)c1ccc(NCc2cccc([O-])c2Cl)cc1 ZINC000513429512 1094119303 /nfs/dbraw/zinc/11/93/03/1094119303.db2.gz GTTPXZOYYUJEMF-UHFFFAOYSA-N -1 1 356.853 4.472 20 30 FIEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)ccc1OC(C)C ZINC000515695236 1098858175 /nfs/dbraw/zinc/85/81/75/1098858175.db2.gz CBFKDQKVSHTYIR-UHFFFAOYSA-N -1 1 364.854 4.108 20 30 FIEDMM N#Cc1ccccc1OC1CCC(NC(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000436840737 1099360565 /nfs/dbraw/zinc/36/05/65/1099360565.db2.gz RDKXFJZGQARDGZ-UHFFFAOYSA-N -1 1 370.836 4.037 20 30 FIEDMM CC(C)(c1nc(-c2ccc([O-])cc2Cl)no1)c1cc(F)cc(C#N)c1 ZINC000436868138 1099377891 /nfs/dbraw/zinc/37/78/91/1099377891.db2.gz GSCMGROZXBNAQS-UHFFFAOYSA-N -1 1 357.772 4.432 20 30 FIEDMM C=CCN(CCc1ccccc1)C(=O)c1cc(Br)ccc1[O-] ZINC000436925218 1099438188 /nfs/dbraw/zinc/43/81/88/1099438188.db2.gz JMAUUCCIFXCAPY-UHFFFAOYSA-N -1 1 360.251 4.026 20 30 FIEDMM C=CCCCc1nc(-c2cc(Br)c([O-])c(OCC)c2)no1 ZINC000436996259 1099500802 /nfs/dbraw/zinc/50/08/02/1099500802.db2.gz FZFSNIKSRVQYGX-UHFFFAOYSA-N -1 1 353.216 4.112 20 30 FIEDMM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)ccc1C(F)(F)F ZINC000438758833 1100900447 /nfs/dbraw/zinc/90/04/47/1100900447.db2.gz WOFIWIIVAWAOJU-UHFFFAOYSA-N -1 1 374.771 4.340 20 30 FIEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccccc1Nc1ccccc1 ZINC000475798657 1101876601 /nfs/dbraw/zinc/87/66/01/1101876601.db2.gz QGZLFCLGTVQPSR-UHFFFAOYSA-N -1 1 363.442 4.297 20 30 FIEDMM N#CC(=C([O-])C=Cc1cc(C(F)(F)F)ccc1Cl)c1ccncn1 ZINC000760353483 1101935425 /nfs/dbraw/zinc/93/54/25/1101935425.db2.gz PYKICWSWXRCMJI-VCUZLRKMSA-N -1 1 351.715 4.038 20 30 FIEDMM Cc1c(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cnn1-c1cc(C)ccc1C ZINC000121871146 1102466999 /nfs/dbraw/zinc/46/69/99/1102466999.db2.gz DSOLCZBIPXYZKB-INIZCTEOSA-N -1 1 369.428 4.164 20 30 FIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2Cc2ccccc2)cc1F ZINC000427104133 1103258671 /nfs/dbraw/zinc/25/86/71/1103258671.db2.gz MEHFDTYCVOBBFJ-UHFFFAOYSA-N -1 1 366.417 4.089 20 30 FIEDMM COc1cc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc(Cl)c1[O-] ZINC000330712654 1104666232 /nfs/dbraw/zinc/66/62/32/1104666232.db2.gz AZSMNLURQJTGBP-VHSXEESVSA-N -1 1 351.752 4.480 20 30 FIEDMM Cc1csc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000453584738 1108645293 /nfs/dbraw/zinc/64/52/93/1108645293.db2.gz HPGTUWIEYGQJLQ-LLVKDONJSA-N -1 1 369.471 4.136 20 30 FIEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(COC2CCCC2)cc1 ZINC000524851945 1109181180 /nfs/dbraw/zinc/18/11/80/1109181180.db2.gz BFQPJKKDZXLTNH-UHFFFAOYSA-N -1 1 370.474 4.127 20 30 FIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2F)c(F)c1 ZINC000610056628 1110031716 /nfs/dbraw/zinc/03/17/16/1110031716.db2.gz BOIITSYVUPODIE-UHFFFAOYSA-N -1 1 370.380 4.304 20 30 FIEDMM Cc1ccnn1-c1ccc(C([O-])=C(C#N)c2nc3ccccc3s2)cc1 ZINC000041502325 1111522389 /nfs/dbraw/zinc/52/23/89/1111522389.db2.gz UXAGURRZCPFVSS-MRXNPFEDSA-N -1 1 358.426 4.281 20 30 FIEDMM N#CC(=C([O-])c1ccc2oc(=O)[nH]c2c1)c1nc2cc(Cl)ccc2s1 ZINC000553999061 1112157022 /nfs/dbraw/zinc/15/70/22/1112157022.db2.gz BKTLYYFZEMUOFR-SNVBAGLBSA-N -1 1 369.789 4.287 20 30 FIEDMM Cc1cc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)oc1C ZINC000128760949 1113401638 /nfs/dbraw/zinc/40/16/38/1113401638.db2.gz YETGNJGOOOMZGY-CYBMUJFWSA-N -1 1 351.189 4.164 20 30 FIEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccccc2-n2cccn2)s1 ZINC000574110582 1115291045 /nfs/dbraw/zinc/29/10/45/1115291045.db2.gz SVBVLXAWUSEMFG-CQSZACIVSA-N -1 1 350.447 4.116 20 30 FIEDMM CC(C)(C)c1cc([N-]C(=O)c2nscc2Br)c(C#N)s1 ZINC000593107181 1115557426 /nfs/dbraw/zinc/55/74/26/1115557426.db2.gz UOPVAXOZBGSLGF-UHFFFAOYSA-N -1 1 370.297 4.389 20 30 FIEDMM N#Cc1ccc(C(=O)N(Cc2cc(F)ccc2F)C2CCCC2)cc1[O-] ZINC000443278313 1117875488 /nfs/dbraw/zinc/87/54/88/1117875488.db2.gz VPXDMZRUZGBJDU-UHFFFAOYSA-N -1 1 356.372 4.127 20 30 FIEDMM CCc1ccccc1S(=O)(=O)[N-]c1ccccc1SC[C@@H](C)C#N ZINC000187437277 1119783437 /nfs/dbraw/zinc/78/34/37/1119783437.db2.gz VEDWRTDQSAZMGV-AWEZNQCLSA-N -1 1 360.504 4.302 20 30 FIEDMM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1 ZINC000191570872 1119984836 /nfs/dbraw/zinc/98/48/36/1119984836.db2.gz AFSSKXAPBUVHHO-UHFFFAOYSA-N -1 1 373.474 4.126 20 30 FIEDMM O=C(/C=C/c1ccc([O-])c(Cl)c1)c1cc(Br)ncc1F ZINC000762421001 1120904914 /nfs/dbraw/zinc/90/49/14/1120904914.db2.gz GDOGEXXFCLAHEB-HNQUOIGGSA-N -1 1 356.578 4.238 20 30 FIEDMM Cc1c(C(=O)[O-])oc2c1C(N=Nc1ccc(Cl)cc1[N+](=O)[O-])CCC2 ZINC000915976226 1121359861 /nfs/dbraw/zinc/35/98/61/1121359861.db2.gz QJQQMTXYSMGUFB-UHFFFAOYSA-N -1 1 363.757 4.000 20 30 FIEDMM Cc1nn(-c2ccc(F)cc2F)c(C)c1/C=C\C(=O)c1ccc([O-])cc1 ZINC000915981248 1121362811 /nfs/dbraw/zinc/36/28/11/1121362811.db2.gz MHHPHFDRYAZXSD-NTMALXAHSA-N -1 1 354.356 4.369 20 30 FIEDMM Cc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2Oc2ccccc2)o1 ZINC000916908883 1121931020 /nfs/dbraw/zinc/93/10/20/1121931020.db2.gz OEAZLYFLWDPPFI-MRXNPFEDSA-N -1 1 360.369 4.342 20 30 FIEDMM C[C@H](C#N)CSc1ccccc1[N-]C(=O)c1cc(-c2ccccn2)no1 ZINC000073477580 1121990726 /nfs/dbraw/zinc/99/07/26/1121990726.db2.gz OMZZKLYDEHRDME-CYBMUJFWSA-N -1 1 364.430 4.241 20 30 FIEDMM CC[C@@H](c1nnc([N-]C(=O)c2sccc2C#N)s1)c1ccccc1 ZINC000106719826 1122235945 /nfs/dbraw/zinc/23/59/45/1122235945.db2.gz VZMQJTIYKXXAOY-CYBMUJFWSA-N -1 1 354.460 4.265 20 30 FIEDMM Cc1cc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)o1 ZINC000175111318 1123739421 /nfs/dbraw/zinc/73/94/21/1123739421.db2.gz LEVOCWLODGEJGA-NSHDSACASA-N -1 1 351.189 4.164 20 30 FIEDMM N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ncccc2[O-])c1 ZINC000609742588 1123818590 /nfs/dbraw/zinc/81/85/90/1123818590.db2.gz GUDIFJACXSGOPS-UHFFFAOYSA-N -1 1 365.776 4.357 20 30 FIEDMM N#Cc1ccccc1COc1cccc(C(=O)Nc2c([O-])cccc2F)c1 ZINC000609851173 1123859862 /nfs/dbraw/zinc/85/98/62/1123859862.db2.gz ONBUFRWJPJJKRR-UHFFFAOYSA-N -1 1 362.360 4.234 20 30 FIEDMM CCc1cccc(S(=O)(=O)[N-]c2ccccc2S[C@@H](C)CC#N)c1 ZINC000080940088 1123977827 /nfs/dbraw/zinc/97/78/27/1123977827.db2.gz AYUGKGDLIJNPSS-AWEZNQCLSA-N -1 1 360.504 4.444 20 30 FIEDMM CSc1ccc(S(=O)(=O)[N-]c2ccccc2SCCC#N)cc1 ZINC000108250910 1124269915 /nfs/dbraw/zinc/26/99/15/1124269915.db2.gz VGAMTMAGAKREQL-UHFFFAOYSA-N -1 1 364.517 4.215 20 30 FIEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(Cl)c(C(F)(F)F)c1 ZINC000327091582 1124362928 /nfs/dbraw/zinc/36/29/28/1124362928.db2.gz JMCGDYKHOFEWRG-UHFFFAOYSA-N -1 1 374.771 4.340 20 30 FIEDMM Nc1cc(Nc2cccc(C([O-])(C(F)(F)F)C(F)(F)F)c2)ccc1F ZINC001212345379 1125083013 /nfs/dbraw/zinc/08/30/13/1125083013.db2.gz NREYCVJNCPOROQ-UHFFFAOYSA-N -1 1 368.252 4.464 20 30 FIEDMM C=C(C)CN(CC)Cc1nc(=O)c2sc(-c3ccc(OC)cc3)cc2[n-]1 ZINC000096992597 222147672 /nfs/dbraw/zinc/14/76/72/222147672.db2.gz LKPVTYJWBLKJFE-UHFFFAOYSA-N -1 1 369.490 4.058 20 30 FIEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(Oc3cccc(F)c3)cc2)c1 ZINC000603985552 568194879 /nfs/dbraw/zinc/19/48/79/568194879.db2.gz SAUSFPHKFQFWEZ-UHFFFAOYSA-N -1 1 368.389 4.290 20 30 FIEDMM CC(C)Cn1ccc2cc([N-]S(=O)(=O)c3cccc(CC#N)c3)ccc21 ZINC000619462412 1125596119 /nfs/dbraw/zinc/59/61/19/1125596119.db2.gz RFJPXXYROVHMET-UHFFFAOYSA-N -1 1 367.474 4.164 20 30 FIEDMM Cc1ccc(-c2ccc(C)c([N-]S(=O)(=O)c3cccc(CC#N)c3)c2)o1 ZINC000619464057 1125596316 /nfs/dbraw/zinc/59/63/16/1125596316.db2.gz BAKFVPRKYDEHFC-UHFFFAOYSA-N -1 1 366.442 4.430 20 30 FIEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(COC3CCCC3)cc2)c1 ZINC000619463078 1125596478 /nfs/dbraw/zinc/59/64/78/1125596478.db2.gz ZYFJCZMKOLVYNB-UHFFFAOYSA-N -1 1 370.474 4.013 20 30 FIEDMM C=CCOc1ccc(CN[C@@H](C(=O)[O-])c2cc(F)ccc2F)cc1Cl ZINC000683174186 1079810185 /nfs/dbraw/zinc/81/01/85/1079810185.db2.gz RADQNQMSDWPRRL-QGZVFWFLSA-N -1 1 367.779 4.099 20 30 FIEDMM C[C@@H]1CC(=O)C=C(Nc2ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc2)C1 ZINC001210775362 1081601092 /nfs/dbraw/zinc/60/10/92/1081601092.db2.gz IEEHNTOXWLXVJL-VIFPVBQESA-N -1 1 367.289 4.294 20 30 FIEDMM C=CCN(C(=O)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O)C1CC1 ZINC000430600075 1082567523 /nfs/dbraw/zinc/56/75/23/1082567523.db2.gz WXQAQQZYPDNGQK-UHFFFAOYSA-N -1 1 360.413 4.111 20 30 FIEDMM C=CC[C@@H]1CCCN([C@@H](C(=O)[O-])c2ccc(Br)cc2F)C1 ZINC000656759434 1082752312 /nfs/dbraw/zinc/75/23/12/1082752312.db2.gz GEUAZEKMVFXYOH-IAQYHMDHSA-N -1 1 356.235 4.002 20 30 FIEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])c2c[nH]c3cc([N+](=O)[O-])ccc32)s1 ZINC000430652047 1082850539 /nfs/dbraw/zinc/85/05/39/1082850539.db2.gz WUQZKONINKHVEP-LBPRGKRZSA-N -1 1 368.418 4.320 20 30 FIEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(Sc3ccccc3)cc2)c(=O)o1 ZINC000255696307 1083422662 /nfs/dbraw/zinc/42/26/62/1083422662.db2.gz SKQWKWDMLZSRGU-FNUUXAGOSA-N -1 1 364.422 4.066 20 30 FIEDMM Cc1csc(C(C#N)=C([O-])c2cc(C)n(-c3ccc(F)cc3)c2C)n1 ZINC000048786703 1085220433 /nfs/dbraw/zinc/22/04/33/1085220433.db2.gz UEDFDOPNRJJGLH-QGZVFWFLSA-N -1 1 353.422 4.488 20 30 FIEDMM Cc1c(=O)[n-]c(SCc2ccc(C#N)c(F)c2)nc1-c1ccccc1 ZINC000188184401 1087727175 /nfs/dbraw/zinc/72/71/75/1087727175.db2.gz MGZSLDKCWXSYGG-UHFFFAOYSA-N -1 1 351.406 4.048 20 30 FIEDMM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000176205396 1087893705 /nfs/dbraw/zinc/89/37/05/1087893705.db2.gz FZKCSRKSDAFHCK-UHFFFAOYSA-N -1 1 361.637 4.319 20 30 FIEDMM N#Cc1ccc(C(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)cc1[O-] ZINC000188955318 1088353671 /nfs/dbraw/zinc/35/36/71/1088353671.db2.gz IKVHGKVPYAQYBS-UHFFFAOYSA-N -1 1 372.877 4.314 20 30 FIEDMM C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180456366 1088770993 /nfs/dbraw/zinc/77/09/93/1088770993.db2.gz KZNUGEWJWLVVFS-UHFFFAOYSA-N -1 1 360.335 4.111 20 30 FIEDMM N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(F)cc2[O-])c1 ZINC000536221632 1089006945 /nfs/dbraw/zinc/00/69/45/1089006945.db2.gz SSPSLSMUGQMZJX-UHFFFAOYSA-N -1 1 362.360 4.234 20 30 FIEDMM N#Cc1ccc(C(=O)NCCC(c2ccccc2)c2ccccc2)cc1[O-] ZINC000442901758 1092854846 /nfs/dbraw/zinc/85/48/46/1092854846.db2.gz UNXMZVNSVSWHOD-UHFFFAOYSA-N -1 1 356.425 4.216 20 30 FIEDMM COc1ccc([C@@H](NC(=O)c2ccc(C#N)c([O-])c2)c2ccc(C)cc2)cc1 ZINC000442939611 1092875129 /nfs/dbraw/zinc/87/51/29/1092875129.db2.gz ABIPXAKPFNAQFV-QFIPXVFZSA-N -1 1 372.424 4.100 20 30 FIEDMM CCN(C(=O)c1ccc(C#N)c([O-])c1)[C@H](c1ccc(C)cc1)c1cccnc1 ZINC000442963621 1092891034 /nfs/dbraw/zinc/89/10/34/1092891034.db2.gz FKWNHNGGDUYJRE-JOCHJYFZSA-N -1 1 371.440 4.219 20 30 FIEDMM N#Cc1ccc(C(=O)N[C@@H](c2cccc3ccccc32)C(F)(F)F)cc1[O-] ZINC000443118910 1092952630 /nfs/dbraw/zinc/95/26/30/1092952630.db2.gz OXQYBXUMJKFOLJ-SFHVURJKSA-N -1 1 370.330 4.450 20 30 FIEDMM Cc1c(=O)[n-]c(SCc2cn3ccccc3c2C#N)nc1-c1ccccc1 ZINC000185054057 1093349852 /nfs/dbraw/zinc/34/98/52/1093349852.db2.gz VPPTZRBGGZKGNZ-UHFFFAOYSA-N -1 1 372.453 4.162 20 30 FIEDMM N#Cc1ccsc1C(=O)[N-]c1nnc(SCc2ccccc2)s1 ZINC000052028240 1093521165 /nfs/dbraw/zinc/52/11/65/1093521165.db2.gz MXXMIVYYBOMZAE-UHFFFAOYSA-N -1 1 358.473 4.400 20 30 FIEDMM N#Cc1ccc(C2(NC(=O)c3ccc(C(F)(F)F)c([O-])c3)CCC2)cc1 ZINC001143555609 1093888837 /nfs/dbraw/zinc/88/88/37/1093888837.db2.gz MCELHDJUMOCVOR-UHFFFAOYSA-N -1 1 360.335 4.092 20 30 FIEDMM N#CC(=C([O-])c1cncn1-c1ccc(F)cc1)c1nc2ccccc2s1 ZINC000513666137 1094263261 /nfs/dbraw/zinc/26/32/61/1094263261.db2.gz JQPFNITUSDKIKA-AWEZNQCLSA-N -1 1 362.389 4.111 20 30 FIEDMM Cc1csc(C(C#N)=C([O-])c2cccc(NC(=O)c3cccs3)c2)n1 ZINC000041519008 1094642755 /nfs/dbraw/zinc/64/27/55/1094642755.db2.gz LTBIZOYENDJXEW-AWEZNQCLSA-N -1 1 367.455 4.255 20 30 FIEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(-c3ccccc3Cl)s2)c(=O)o1 ZINC000120780749 1095686825 /nfs/dbraw/zinc/68/68/25/1095686825.db2.gz IDXNCPSHIMUNMW-JHTBKMLMSA-N -1 1 372.829 4.297 20 30 FIEDMM N#C[C@H](NC(=O)c1ccc(Cl)cc1[O-])c1cccc(C(F)(F)F)c1 ZINC000436615325 1099149586 /nfs/dbraw/zinc/14/95/86/1099149586.db2.gz FOUCWEAOKFVWFG-ZDUSSCGKSA-N -1 1 354.715 4.059 20 30 FIEDMM N#CC(=C([O-])c1cc2nc[nH]c2cc1F)c1nc2cc(Cl)ccc2s1 ZINC000436695796 1099229761 /nfs/dbraw/zinc/22/97/61/1099229761.db2.gz FZKHILPSJXAPRF-SNVBAGLBSA-N -1 1 370.796 4.455 20 30 FIEDMM N#CCCC[C@@H](NC(=O)c1cc(Br)ccc1[O-])c1ccccc1 ZINC000436924700 1099439864 /nfs/dbraw/zinc/43/98/64/1099439864.db2.gz DMVIHMZERDZYKY-MRXNPFEDSA-N -1 1 373.250 4.320 20 30 FIEDMM C=CCC1(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)CCCCC1 ZINC000648490642 1102174206 /nfs/dbraw/zinc/17/42/06/1102174206.db2.gz UVJNNVRFNYCVKM-UHFFFAOYSA-N -1 1 355.478 4.340 20 30 FIEDMM Cc1csc(C(C#N)=C([O-])c2ccc(Br)c(Cl)c2)n1 ZINC000121299476 1102367374 /nfs/dbraw/zinc/36/73/74/1102367374.db2.gz YRYDNYVIDMVMHM-VIFPVBQESA-N -1 1 355.644 4.358 20 30 FIEDMM N#CC(=C([O-])c1cccc(-c2nc[nH]n2)c1)c1nc(-c2ccccc2)cs1 ZINC000551773606 1103613619 /nfs/dbraw/zinc/61/36/19/1103613619.db2.gz KOFHBNHUTVVVQK-INIZCTEOSA-N -1 1 371.425 4.085 20 30 FIEDMM CC(C)(C)[C@@H]1C[C@H](NC(=O)c2ccc(Br)cc2[O-])CCO1 ZINC000331228301 1104707516 /nfs/dbraw/zinc/70/75/16/1104707516.db2.gz GGVYARVFYKGTIS-RISCZKNCSA-N -1 1 356.260 4.053 20 30 FIEDMM C=C[C@H](CCC(=O)[O-])NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000417631739 1105032954 /nfs/dbraw/zinc/03/29/54/1105032954.db2.gz WGWWGCLIBSJUHP-CYBMUJFWSA-N -1 1 370.396 4.338 20 30 FIEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3ccncc3)c(C)c2)ccc1C#N ZINC000427640348 1105199538 /nfs/dbraw/zinc/19/95/38/1105199538.db2.gz AJSXTJCYWVFROB-UHFFFAOYSA-N -1 1 363.442 4.038 20 30 FIEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc(-c3csnn3)cc2)s1 ZINC000529009253 1110175933 /nfs/dbraw/zinc/17/59/33/1110175933.db2.gz NGICNFIPQRXNAW-CYBMUJFWSA-N -1 1 368.487 4.449 20 30 FIEDMM Cc1nn(Cc2ccccc2)c(Cl)c1/C=C/C(=O)c1ccc([O-])cc1 ZINC000007718029 1110298376 /nfs/dbraw/zinc/29/83/76/1110298376.db2.gz GTLGHGWWVAPSBL-VAWYXSNFSA-N -1 1 352.821 4.495 20 30 FIEDMM Cc1csc(C(C#N)=C([O-])c2cc(Cl)cc(Br)c2)n1 ZINC000156244902 1112465675 /nfs/dbraw/zinc/46/56/75/1112465675.db2.gz IHGWYARTCXGPMJ-NSHDSACASA-N -1 1 355.644 4.358 20 30 FIEDMM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)oc1C ZINC000128707857 1113320772 /nfs/dbraw/zinc/32/07/72/1113320772.db2.gz PSTZNYGOHXOZDN-CYBMUJFWSA-N -1 1 364.373 4.172 20 30 FIEDMM Cc1nc(C(=O)[N-]c2cc(C(F)(F)F)ccc2SCCC#N)co1 ZINC000588925444 1114675486 /nfs/dbraw/zinc/67/54/86/1114675486.db2.gz LRIZKNLNORZOAG-UHFFFAOYSA-N -1 1 355.341 4.260 20 30 FIEDMM N#CCCCN1C(=O)CCc2cc(NCc3cccc([O-])c3Cl)ccc21 ZINC000590187076 1114905619 /nfs/dbraw/zinc/90/56/19/1114905619.db2.gz UUBKPVWZXRFBLX-UHFFFAOYSA-N -1 1 369.852 4.241 20 30 FIEDMM N#CC(=C([O-])c1ccc2c(c1)OCCCO2)c1nc2cc(F)ccc2s1 ZINC000592974565 1115272193 /nfs/dbraw/zinc/27/21/93/1115272193.db2.gz UGINKCCHPCDPKB-CYBMUJFWSA-N -1 1 368.389 4.087 20 30 FIEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1 ZINC000593203154 1115306773 /nfs/dbraw/zinc/30/67/73/1115306773.db2.gz CLKRWHZMGPAUOJ-UHFFFAOYSA-N -1 1 370.474 4.243 20 30 FIEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(C3CCCC3)c2)n1 ZINC000595240576 1115521132 /nfs/dbraw/zinc/52/11/32/1115521132.db2.gz IDOYZHHMRRTQDH-MRXNPFEDSA-N -1 1 368.458 4.467 20 30 FIEDMM CCC[C@@H](CC)S(=O)(=O)[N-]c1ccccc1Oc1ncccc1C#N ZINC000593200375 1115602852 /nfs/dbraw/zinc/60/28/52/1115602852.db2.gz UFFGPXHKGUNFFN-OAHLLOKOSA-N -1 1 359.451 4.066 20 30 FIEDMM N#Cc1c([N-]C(=O)c2ncoc2-c2ccon2)sc2c1CCCCCC2 ZINC000598809825 1115756932 /nfs/dbraw/zinc/75/69/32/1115756932.db2.gz YXFCBQFGVIQXDV-UHFFFAOYSA-N -1 1 368.418 4.174 20 30 FIEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)ccc1Cl ZINC000603969773 1115834952 /nfs/dbraw/zinc/83/49/52/1115834952.db2.gz KIEZMRRWOUPFHT-UHFFFAOYSA-N -1 1 361.637 4.319 20 30 FIEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000063878725 1116119615 /nfs/dbraw/zinc/11/96/15/1116119615.db2.gz KLVDZWJBNOMYCB-UHFFFAOYSA-N -1 1 374.771 4.340 20 30 FIEDMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000462590303 1116375885 /nfs/dbraw/zinc/37/58/85/1116375885.db2.gz IZYNHRIPDLHSLW-NSHDSACASA-N -1 1 359.223 4.077 20 30 FIEDMM CSc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c1 ZINC000443404414 1118263345 /nfs/dbraw/zinc/26/33/45/1118263345.db2.gz FPMPLCFHGNYBDK-UHFFFAOYSA-N -1 1 372.393 4.100 20 30 FIEDMM N#CC1([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CCCCC1 ZINC000464432200 1118555598 /nfs/dbraw/zinc/55/55/98/1118555598.db2.gz XVJXIBCGICTSEG-UHFFFAOYSA-N -1 1 367.685 4.152 20 30 FIEDMM CC(C)c1csc(C(C#N)=C([O-])c2cccc(NC(=O)[C@H]3C[C@@H]3C)c2)n1 ZINC000177772874 1119350271 /nfs/dbraw/zinc/35/02/71/1119350271.db2.gz BUSZRARJRTZJES-VBNZEHGJSA-N -1 1 367.474 4.351 20 30 FIEDMM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(Oc3ccccc3)o2)c1 ZINC000176530297 1119894118 /nfs/dbraw/zinc/89/41/18/1119894118.db2.gz NOUUWOHEZIHOHF-QGZVFWFLSA-N -1 1 360.369 4.342 20 30 FIEDMM Cc1cccc(S(=O)(=O)[N-]c2ccc([C@@H](C#N)c3ccccc3)cc2)c1 ZINC000915187641 1120859907 /nfs/dbraw/zinc/85/99/07/1120859907.db2.gz IAVCDJZNLJYDPQ-NRFANRHFSA-N -1 1 362.454 4.451 20 30 FIEDMM Cc1ccc(OCC(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)cc1C ZINC001649026372 1121268404 /nfs/dbraw/zinc/26/84/04/1121268404.db2.gz ZXARCIXGTRWAQZ-UHFFFAOYSA-N -1 1 354.233 4.407 20 30 FIEDMM Cc1cc([O-])cc2c1C(=O)/C(=C/c1ccccc1OCc1ccccn1)O2 ZINC000915989076 1121369111 /nfs/dbraw/zinc/36/91/11/1121369111.db2.gz XEAPGVPTECPDFH-JAIQZWGSSA-N -1 1 359.381 4.291 20 30 FIEDMM CSc1ccc(-c2nsc([N-]C(=O)c3cc(C#N)cs3)n2)cc1 ZINC000084116228 1121369366 /nfs/dbraw/zinc/36/93/66/1121369366.db2.gz RGBKJKRBGKYGIH-UHFFFAOYSA-N -1 1 358.473 4.112 20 30 FIEDMM O=C([O-])c1ccc(N=NCc2c[nH]c3ccc(Br)cc23)cc1 ZINC000916240888 1121450234 /nfs/dbraw/zinc/45/02/34/1121450234.db2.gz SQMOJHUUYZSZAR-UHFFFAOYSA-N -1 1 358.195 4.075 20 30 FIEDMM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C(C)=O)s2)cc1 ZINC000916956370 1121968411 /nfs/dbraw/zinc/96/84/11/1121968411.db2.gz ZUZKTFONRZXNIT-BLLLJJGKSA-N -1 1 368.458 4.425 20 30 FIEDMM CC(N=Nc1ccc(C(=O)[O-])cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000920480064 1123466958 /nfs/dbraw/zinc/46/69/58/1123466958.db2.gz XYSROXNMSCQRCT-UHFFFAOYSA-N -1 1 352.312 4.162 20 30 FIEDMM CCCCCCC[C@@]1(C)NC(=O)N(N=Cc2ccc([O-])c(Cl)c2)C1=O ZINC000921256802 1123596595 /nfs/dbraw/zinc/59/65/95/1123596595.db2.gz ZCWUSMYRAFVNEL-GOSISDBHSA-N -1 1 365.861 4.051 20 30 FIEDMM Cc1c(C(=O)/C=C\c2ccc([O-])c(Cl)c2)nnn1-c1cccc(Cl)c1 ZINC000921268953 1123608611 /nfs/dbraw/zinc/60/86/11/1123608611.db2.gz GICZRHMENLWWKP-VURMDHGXSA-N -1 1 374.227 4.484 20 30 FIEDMM Nc1cc(Nc2ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc2)ccc1F ZINC001212339052 1124862979 /nfs/dbraw/zinc/86/29/79/1124862979.db2.gz CLVIBRFCBLZRPB-UHFFFAOYSA-N -1 1 368.252 4.464 20 30 FIEDMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)c1C ZINC000603982563 568194337 /nfs/dbraw/zinc/19/43/37/568194337.db2.gz HHOGSPYOZXVOEV-UHFFFAOYSA-N -1 1 372.490 4.404 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)c[nH]2)c1 ZINC000619444393 1125592051 /nfs/dbraw/zinc/59/20/51/1125592051.db2.gz RUGCZRRJACQGDE-HXUWFJFHSA-N -1 1 372.428 4.021 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)N2CCC(F)(c3ccc(Cl)cc3)CC2)c1 ZINC000619618135 1125630307 /nfs/dbraw/zinc/63/03/07/1125630307.db2.gz IBEDZRNAZAFQGT-UHFFFAOYSA-N -1 1 358.800 4.018 20 30 FIEDMM Cc1nn(C(C)C)c(C)c1C(=O)/C=C\c1ccc([O-])c(Br)c1 ZINC000255298387 1082550802 /nfs/dbraw/zinc/55/08/02/1082550802.db2.gz HBDBUCHCIAQMBF-VURMDHGXSA-N -1 1 363.255 4.445 20 30 FIEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])c2c[nH]c3cc([N+](=O)[O-])ccc32)s1 ZINC000430652046 1082851026 /nfs/dbraw/zinc/85/10/26/1082851026.db2.gz WUQZKONINKHVEP-GFCCVEGCSA-N -1 1 368.418 4.320 20 30 FIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)cc1Cl ZINC000175973269 1082995950 /nfs/dbraw/zinc/99/59/50/1082995950.db2.gz LPOAYBXPDGQCFR-UHFFFAOYSA-N -1 1 373.821 4.031 20 30 FIEDMM Cc1nc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)s1 ZINC000178707153 1085922191 /nfs/dbraw/zinc/92/21/91/1085922191.db2.gz HGJKEQKYAROJOJ-SNVBAGLBSA-N -1 1 368.245 4.028 20 30 FIEDMM Cc1c(C(=O)/C=C\c2ccc([O-])c(Br)c2)cnn1C(C)(C)C ZINC000588558960 1085943592 /nfs/dbraw/zinc/94/35/92/1085943592.db2.gz HIKVFBARJDVTKV-ALCCZGGFSA-N -1 1 363.255 4.311 20 30 FIEDMM C=C1CCC(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)CC1 ZINC000892423474 1087773275 /nfs/dbraw/zinc/77/32/75/1087773275.db2.gz GTLGUKHQSBRXFW-CQSZACIVSA-N -1 1 367.474 4.198 20 30 FIEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc3[nH]c(=O)n(C(C)C)c3c2)n1 ZINC000659114190 1088116460 /nfs/dbraw/zinc/11/64/60/1088116460.db2.gz LIOFKXGSGMPTOQ-ZDUSSCGKSA-N -1 1 368.462 4.393 20 30 FIEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc3[nH]c(=O)n(C4CC4)c3c2)n1 ZINC000659115243 1088124266 /nfs/dbraw/zinc/12/42/66/1088124266.db2.gz ULHPHJFBWVWCRV-CYBMUJFWSA-N -1 1 366.446 4.147 20 30 FIEDMM N#CC(=C([O-])c1cn2cc(Cl)cc(Cl)c2n1)c1nc2ccccc2[nH]1 ZINC000442001030 1092368817 /nfs/dbraw/zinc/36/88/17/1092368817.db2.gz LHCOWWWAYZDSTA-JTQLQIEISA-N -1 1 370.199 4.007 20 30 FIEDMM Cc1nc(-c2ccc([C@@H](C)NC(=O)c3ccc(C#N)c([O-])c3)cc2)cs1 ZINC000442854012 1092826586 /nfs/dbraw/zinc/82/65/86/1092826586.db2.gz IENUHVPWVIHVJT-GFCCVEGCSA-N -1 1 363.442 4.187 20 30 FIEDMM COc1cc(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)cc(Cl)c1[O-] ZINC000442980483 1092905497 /nfs/dbraw/zinc/90/54/97/1092905497.db2.gz HSLJJLXNBJNYNK-MRXNPFEDSA-N -1 1 372.852 4.346 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H](c2ccsc2)c2ccc(Cl)cc2)c1 ZINC000614298339 1093360137 /nfs/dbraw/zinc/36/01/37/1093360137.db2.gz UCBCSEYRWOWCPY-GOSISDBHSA-N -1 1 368.845 4.498 20 30 FIEDMM N#CC(=C([O-])c1cncn1-c1ccc(F)cc1)c1nc2ccccc2s1 ZINC000513666138 1094262701 /nfs/dbraw/zinc/26/27/01/1094262701.db2.gz JQPFNITUSDKIKA-CQSZACIVSA-N -1 1 362.389 4.111 20 30 FIEDMM N#CC(=C([O-])c1ccc2ccccc2n1)c1nc2ccccc2n1C(F)F ZINC000041559076 1094633184 /nfs/dbraw/zinc/63/31/84/1094633184.db2.gz KYFHSRGIODQSCT-ZDUSSCGKSA-N -1 1 362.339 4.470 20 30 FIEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000438766341 1100905999 /nfs/dbraw/zinc/90/59/99/1100905999.db2.gz WZWXXBIFASQQKU-UHFFFAOYSA-N -1 1 357.479 4.304 20 30 FIEDMM CC(C)(C)c1nc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3)cc2s1 ZINC000438773106 1100908398 /nfs/dbraw/zinc/90/83/98/1100908398.db2.gz GTALKFKYYDRPCE-UHFFFAOYSA-N -1 1 371.487 4.266 20 30 FIEDMM CC(C)(C)c1nc2ccc([N-]S(=O)(=O)c3cccc(C#N)c3)cc2s1 ZINC000438780306 1100914111 /nfs/dbraw/zinc/91/41/11/1100914111.db2.gz WYYIXXONSJIMTB-UHFFFAOYSA-N -1 1 371.487 4.266 20 30 FIEDMM Cn1ccnc1COc1ccc(C(=O)/C=C/c2ccc([O-])c(Cl)c2)cc1 ZINC000109266542 1101335402 /nfs/dbraw/zinc/33/54/02/1101335402.db2.gz ZWZFLRZEHPHWTF-KRXBUXKQSA-N -1 1 368.820 4.254 20 30 FIEDMM N#CC(=C([O-])c1ccc(-c2cnco2)cc1)c1nc(-c2ccncc2)cs1 ZINC000518642164 1101373973 /nfs/dbraw/zinc/37/39/73/1101373973.db2.gz YDTNJWUWTRXOMN-MRXNPFEDSA-N -1 1 372.409 4.350 20 30 FIEDMM CSc1ccc(C)c([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000537196769 1101531000 /nfs/dbraw/zinc/53/10/00/1101531000.db2.gz OBGVDSFSXDUSCF-UHFFFAOYSA-N -1 1 352.868 4.043 20 30 FIEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1cccc(CCC(F)(F)F)c1 ZINC000475811103 1101928595 /nfs/dbraw/zinc/92/85/95/1101928595.db2.gz PLAAPIMSGQPXFJ-UHFFFAOYSA-N -1 1 368.380 4.048 20 30 FIEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1cc(Cl)cc(C(F)(F)F)c1 ZINC000475815120 1101937563 /nfs/dbraw/zinc/93/75/63/1101937563.db2.gz ROXQXKIVAKXCJK-UHFFFAOYSA-N -1 1 374.771 4.226 20 30 FIEDMM Cc1ccc(-c2cccnc2)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000475817393 1101955034 /nfs/dbraw/zinc/95/50/34/1101955034.db2.gz NZLVEAUYZUBRMO-UHFFFAOYSA-N -1 1 363.442 4.038 20 30 FIEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000532709423 1103028948 /nfs/dbraw/zinc/02/89/48/1103028948.db2.gz XDTRJIQAPQCWAX-UHFFFAOYSA-N -1 1 360.438 4.239 20 30 FIEDMM N#Cc1c([N-]C(=O)c2c(F)c(F)cc(F)c2F)sc2c1CCCC2 ZINC000192726126 1103339649 /nfs/dbraw/zinc/33/96/49/1103339649.db2.gz WXXXCCRWSZJZDH-UHFFFAOYSA-N -1 1 354.328 4.307 20 30 FIEDMM C[C@@H]1[C@@H](C(=O)[N-][C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)C1(F)F ZINC000461088336 1104069927 /nfs/dbraw/zinc/06/99/27/1104069927.db2.gz UJUXLADBRJWNCK-WHFVKQHSSA-N -1 1 361.232 4.326 20 30 FIEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(CCC(F)(F)F)c1 ZINC000441758247 1105177037 /nfs/dbraw/zinc/17/70/37/1105177037.db2.gz YOBYGCDNKNIKFF-UHFFFAOYSA-N -1 1 368.380 4.162 20 30 FIEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(-c2ccccc2)c1 ZINC000507918058 1105267224 /nfs/dbraw/zinc/26/72/24/1105267224.db2.gz BGMGQNYTVHQDTB-UHFFFAOYSA-N -1 1 363.442 4.068 20 30 FIEDMM N#Cc1ccc(C(=O)N2CCC(F)(Cc3ccc(Cl)cc3)CC2)cc1[O-] ZINC000452817674 1107959710 /nfs/dbraw/zinc/95/97/10/1107959710.db2.gz MQJZJSLMXBTLFU-UHFFFAOYSA-N -1 1 372.827 4.104 20 30 FIEDMM N#CCCC[C@@H](NC(=O)c1ccc(Br)c([O-])c1)c1ccccc1 ZINC000487510175 1108553972 /nfs/dbraw/zinc/55/39/72/1108553972.db2.gz AZKUUTGNCDPYRD-MRXNPFEDSA-N -1 1 373.250 4.320 20 30 FIEDMM C=CCc1ccc(OCc2nc(-c3ccc([O-])cc3Cl)no2)c(OC)c1 ZINC000445450797 1108753685 /nfs/dbraw/zinc/75/36/85/1108753685.db2.gz WTLXRISPCILCHO-UHFFFAOYSA-N -1 1 372.808 4.412 20 30 FIEDMM N#CC(=C([O-])c1c[nH]nc1-c1c(F)cccc1F)c1nccc2ccccc21 ZINC000483236584 1113469054 /nfs/dbraw/zinc/46/90/54/1113469054.db2.gz UZKGMIDMKGXVGW-CQSZACIVSA-N -1 1 374.350 4.393 20 30 FIEDMM Cc1sc(-c2ccco2)nc1C(=O)[N-]c1nnc(C(F)(F)F)s1 ZINC000029284786 1114268648 /nfs/dbraw/zinc/26/86/48/1114268648.db2.gz MSPOGMKMNTVYTO-UHFFFAOYSA-N -1 1 360.342 4.218 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000587110513 1114414010 /nfs/dbraw/zinc/41/40/10/1114414010.db2.gz GWOLSZJKXUYSOX-MSOLQXFVSA-N -1 1 374.362 4.349 20 30 FIEDMM O=C(/C=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cc(O)ccc1[O-] ZINC000156664216 1114488267 /nfs/dbraw/zinc/48/82/67/1114488267.db2.gz SGMOMBODDXJTFJ-GQCTYLIASA-N -1 1 368.370 4.026 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)Nc2cc(F)c(Br)c(Cl)c2)c1 ZINC000588070833 1114519103 /nfs/dbraw/zinc/51/91/03/1114519103.db2.gz WUFMADWOWPJXQO-UHFFFAOYSA-N -1 1 369.577 4.071 20 30 FIEDMM CCSc1cccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1 ZINC000593203871 1115306735 /nfs/dbraw/zinc/30/67/35/1115306735.db2.gz JFEISTHAIQGQPL-UHFFFAOYSA-N -1 1 360.504 4.401 20 30 FIEDMM CCOc1ccc(N(CCC#N)C(=O)c2cc(SC)ccc2[O-])cc1 ZINC000597131978 1115642668 /nfs/dbraw/zinc/64/26/68/1115642668.db2.gz ZNKRTVRKUQMQEX-UHFFFAOYSA-N -1 1 356.447 4.073 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)NC(CCC(F)(F)F)CCC(F)(F)F)c1 ZINC000598300113 1115718029 /nfs/dbraw/zinc/71/80/29/1115718029.db2.gz ZZEBHUBTGSOYQF-UHFFFAOYSA-N -1 1 368.277 4.047 20 30 FIEDMM CCCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c(C)c1 ZINC000603986965 1115836928 /nfs/dbraw/zinc/83/69/28/1115836928.db2.gz BOZASFGUJRBALI-UHFFFAOYSA-N -1 1 364.854 4.110 20 30 FIEDMM COc1ccc(OCc2nc(/C=C/C(=O)c3ccc([O-])cc3)cs2)cc1 ZINC000063274726 1116035954 /nfs/dbraw/zinc/03/59/54/1116035954.db2.gz VQQUPEBWBJKIJY-NYYWCZLTSA-N -1 1 367.426 4.332 20 30 FIEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(-c4ccccn4)c3C)nc1-2 ZINC000534379338 1116193737 /nfs/dbraw/zinc/19/37/37/1116193737.db2.gz GDLNHHZHLAIRGT-QGZVFWFLSA-N -1 1 367.412 4.127 20 30 FIEDMM N#CC(=C([O-])c1cc(Cl)cc([N+](=O)[O-])c1)c1cc(C(F)(F)F)ccn1 ZINC000464464109 1118571308 /nfs/dbraw/zinc/57/13/08/1118571308.db2.gz CWYVCFJUQPTHCT-GFCCVEGCSA-N -1 1 369.686 4.152 20 30 FIEDMM CC(C)c1csc(C(C#N)=C([O-])c2cccc(NC(=O)[C@H]3C[C@H]3C)c2)n1 ZINC000177772862 1119350419 /nfs/dbraw/zinc/35/04/19/1119350419.db2.gz BUSZRARJRTZJES-UHOFOFEASA-N -1 1 367.474 4.351 20 30 FIEDMM CC(C)COc1cccc(OCC(=O)N([O-])Cc2ccccc2Cl)c1 ZINC001649046503 1121309108 /nfs/dbraw/zinc/30/91/08/1121309108.db2.gz WEIVIAMKNDMABN-UHFFFAOYSA-N -1 1 363.841 4.172 20 30 FIEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1ccccc1OCc1cccnc1)O2 ZINC000915988738 1121368085 /nfs/dbraw/zinc/36/80/85/1121368085.db2.gz FICBIGYONVCVBO-KEBDBYFISA-N -1 1 359.381 4.291 20 30 FIEDMM Cc1cc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cs1 ZINC000671745652 1121661816 /nfs/dbraw/zinc/66/18/16/1121661816.db2.gz IDVCHXJGACEAEQ-GFCCVEGCSA-N -1 1 369.471 4.136 20 30 FIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3cccc(CC#N)c3)n2)cc1 ZINC000066543533 1122071965 /nfs/dbraw/zinc/07/19/65/1122071965.db2.gz XRLHPJJXBJWDLI-SFHVURJKSA-N -1 1 373.437 4.375 20 30 FIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3cccc(C#N)c3)n2)cc1 ZINC000066543844 1122072734 /nfs/dbraw/zinc/07/27/34/1122072734.db2.gz SFOKWSDMUJVZDL-QGZVFWFLSA-N -1 1 359.410 4.180 20 30 FIEDMM COc1cc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1C ZINC000066544689 1122073057 /nfs/dbraw/zinc/07/30/57/1122073057.db2.gz YJWUDAQJOOXLKG-QGZVFWFLSA-N -1 1 373.437 4.489 20 30 FIEDMM CC(C)(C)c1cc([N-]C(=O)c2cc(-c3cccnc3)on2)c(C#N)s1 ZINC000091208445 1122251054 /nfs/dbraw/zinc/25/10/54/1122251054.db2.gz VWAJEENGNDMODZ-UHFFFAOYSA-N -1 1 352.419 4.220 20 30 FIEDMM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000919962244 1123287444 /nfs/dbraw/zinc/28/74/44/1123287444.db2.gz YXZXASJNNRULBD-KTKRTIGZSA-N -1 1 362.838 4.023 20 30 FIEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C(C)(C)C)cc2)n1 ZINC000067895626 1123983044 /nfs/dbraw/zinc/98/30/44/1123983044.db2.gz MRPFJQRTWNKCMT-AWEZNQCLSA-N -1 1 356.447 4.107 20 30 FIEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(CSCC)cc2)n1 ZINC000067897322 1123987194 /nfs/dbraw/zinc/98/71/94/1123987194.db2.gz YSSQRYQKJOJVFQ-AWEZNQCLSA-N -1 1 374.487 4.063 20 30 FIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccccc3)c2)cc1 ZINC000069116999 221322060 /nfs/dbraw/zinc/32/20/60/221322060.db2.gz MGZWTJWFASWGDS-UHFFFAOYSA-N -1 1 350.399 4.151 20 30 FIEDMM CC(C)(C)C=CC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000255052781 1080682861 /nfs/dbraw/zinc/68/28/61/1080682861.db2.gz QTLZVNNDQAAZCX-LAUAKBEESA-N -1 1 355.463 4.054 20 30 FIEDMM C[C@H]1CC(=O)C=C(Nc2ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc2)C1 ZINC001210775361 1081600727 /nfs/dbraw/zinc/60/07/27/1081600727.db2.gz IEEHNTOXWLXVJL-SECBINFHSA-N -1 1 367.289 4.294 20 30 FIEDMM N#Cc1cnn(-c2ccccc2Br)c1Nc1ccc(F)c([O-])c1 ZINC001211215492 1082023713 /nfs/dbraw/zinc/02/37/13/1082023713.db2.gz RSRVYGSLDLYPSZ-UHFFFAOYSA-N -1 1 373.185 4.095 20 30 FIEDMM CC(=O)Nc1ccc(C(=O)/C=C\c2ccc([O-])c(Br)c2)cc1 ZINC000588419438 1082724108 /nfs/dbraw/zinc/72/41/08/1082724108.db2.gz KRDQZWUQGVCCEK-WAPJZHGLSA-N -1 1 360.207 4.009 20 30 FIEDMM CCn1c2ccccc2c2cc(C=CC(=O)c3c([O-])cc(C)oc3=O)ccc21 ZINC000255344355 1082764124 /nfs/dbraw/zinc/76/41/24/1082764124.db2.gz LFIQHMMZPFAVTC-DMGQTMSCSA-N -1 1 373.408 4.043 20 30 FIEDMM C=CCC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000431673996 1084009831 /nfs/dbraw/zinc/00/98/31/1084009831.db2.gz QMZZCZSYYCWVSL-UHFFFAOYSA-N -1 1 358.463 4.028 20 30 FIEDMM Cc1cccc(NC(=O)C(C#N)=C([O-])c2csc(-c3cccs3)n2)c1 ZINC000127707279 1085049664 /nfs/dbraw/zinc/04/96/64/1085049664.db2.gz BCLNSERNOGRXEP-ZDUSSCGKSA-N -1 1 367.455 4.141 20 30 FIEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccnc(-c3ccccc3)c2)ccc1Cl ZINC000479310366 1085127525 /nfs/dbraw/zinc/12/75/25/1085127525.db2.gz QQBYJYPJZKMAAK-UHFFFAOYSA-N -1 1 369.833 4.074 20 30 FIEDMM N#CC(=C([O-])c1cccc(-n2cccn2)c1)c1nc(-c2ccccc2)cs1 ZINC000117083873 1085422998 /nfs/dbraw/zinc/42/29/98/1085422998.db2.gz HMULQNHZCVRBFE-GOSISDBHSA-N -1 1 370.437 4.486 20 30 FIEDMM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000536129584 1086965235 /nfs/dbraw/zinc/96/52/35/1086965235.db2.gz QDLPXWMILUJCIT-UHFFFAOYSA-N -1 1 355.312 4.196 20 30 FIEDMM Cc1cc([O-])c(C(=O)C=Cc2c(Cl)cccc2SC(C)C)c(=O)o1 ZINC000588601225 1087375505 /nfs/dbraw/zinc/37/55/05/1087375505.db2.gz DOWUSHGCBMMSFL-ZPUOCTKUSA-N -1 1 364.850 4.069 20 30 FIEDMM C=C1CCC(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)CC1 ZINC000892423473 1087773030 /nfs/dbraw/zinc/77/30/30/1087773030.db2.gz GTLGUKHQSBRXFW-AWEZNQCLSA-N -1 1 367.474 4.198 20 30 FIEDMM C[C@H]([N-]C(=O)C(F)(F)F)c1ccc(N[C@@H](C)c2cccc(C#N)c2)cc1 ZINC001167709031 1088460327 /nfs/dbraw/zinc/46/03/27/1088460327.db2.gz ITFZDDCLMJNKFJ-STQMWFEESA-N -1 1 361.367 4.471 20 30 FIEDMM N#Cc1c([N-]C(=O)c2cc(-c3cccc(F)c3)no2)sc2c1CCC2 ZINC000514403317 1089056497 /nfs/dbraw/zinc/05/64/97/1089056497.db2.gz FNPJDXAVFISQNV-UHFFFAOYSA-N -1 1 353.378 4.155 20 30 FIEDMM CC(=CC1=Cc2cc(Cl)cc(Cl)c2OC1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435336071 1089542382 /nfs/dbraw/zinc/54/23/82/1089542382.db2.gz MIGMVHXXUYPFSM-YCRREMRBSA-N -1 1 374.227 4.136 20 30 FIEDMM Cc1cc(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)ccc1C#N ZINC000435722042 1089909239 /nfs/dbraw/zinc/90/92/39/1089909239.db2.gz GYLCAQLUIOSVIS-UHFFFAOYSA-N -1 1 368.380 4.162 20 30 FIEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(COC3CCCC3)cc2)ccc1C#N ZINC000435738912 1089917165 /nfs/dbraw/zinc/91/71/65/1089917165.db2.gz UQJWXGNIUKYTTQ-UHFFFAOYSA-N -1 1 370.474 4.127 20 30 FIEDMM N#CC(=C([O-])c1ccc2c(c1)CCC(=O)N2)c1nc(-c2ccccc2)cs1 ZINC000041533521 1090234924 /nfs/dbraw/zinc/23/49/24/1090234924.db2.gz BQNGGUIIRCGREU-INIZCTEOSA-N -1 1 373.437 4.185 20 30 FIEDMM CCCCCCC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000123459622 1091163103 /nfs/dbraw/zinc/16/31/03/1091163103.db2.gz PTAUWRZFIVPDGD-ZDUSSCGKSA-N -1 1 357.479 4.010 20 30 FIEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)cc1C(F)(F)F ZINC000500311683 1091269468 /nfs/dbraw/zinc/26/94/68/1091269468.db2.gz CMHBVWYUQUODBR-UHFFFAOYSA-N -1 1 374.771 4.340 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)N[C@H](c2cccs2)c2ccc(Cl)cc2)c1 ZINC000614296564 1093352038 /nfs/dbraw/zinc/35/20/38/1093352038.db2.gz IHDSDRPNCHMESI-SFHVURJKSA-N -1 1 368.845 4.498 20 30 FIEDMM Cc1ccc(Cc2cnc(NC(=O)c3cc([O-])cc(C#N)c3)s2)cc1F ZINC000614295248 1093357171 /nfs/dbraw/zinc/35/71/71/1093357171.db2.gz HVXZWAPJNYQSTN-UHFFFAOYSA-N -1 1 367.405 4.011 20 30 FIEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000512844994 1093444956 /nfs/dbraw/zinc/44/49/56/1093444956.db2.gz JSNIMXHJMJIZOP-UHFFFAOYSA-N -1 1 357.353 4.071 20 30 FIEDMM N#CCc1ccc(OCc2ccccc2NC(=O)c2ccccc2[O-])cc1 ZINC000097699583 1094392812 /nfs/dbraw/zinc/39/28/12/1094392812.db2.gz NTORZTNMJZCFGI-UHFFFAOYSA-N -1 1 358.397 4.290 20 30 FIEDMM O=C1c2cc(F)ccc2OCC/C1=C/c1ccc([O-])c(Br)c1 ZINC000205855692 1096398713 /nfs/dbraw/zinc/39/87/13/1096398713.db2.gz POEXLUGGFQEPQW-XFFZJAGNSA-N -1 1 363.182 4.343 20 30 FIEDMM C=C[C@@](C)(CC)c1nc(-c2cc(Br)c([O-])c(OCC)c2)no1 ZINC000436870402 1099382710 /nfs/dbraw/zinc/38/27/10/1099382710.db2.gz HSEOSRFRLGTMMO-INIZCTEOSA-N -1 1 367.243 4.457 20 30 FIEDMM COc1c(Br)ccc(Nc2ccc([O-])c(F)c2F)c1C#N ZINC001212016154 1099382813 /nfs/dbraw/zinc/38/28/13/1099382813.db2.gz AIVDOFQERCWBME-UHFFFAOYSA-N -1 1 355.138 4.057 20 30 FIEDMM N#Cc1cccc(-c2cc(-c3nc(-c4ccc([O-])cc4Cl)no3)on2)c1 ZINC000436875577 1099389806 /nfs/dbraw/zinc/38/98/06/1099389806.db2.gz YKBLSBVSJCICSM-UHFFFAOYSA-N -1 1 364.748 4.289 20 30 FIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)cc1Cl ZINC000438763183 1100902643 /nfs/dbraw/zinc/90/26/43/1100902643.db2.gz JUOXUTZKTRUEAL-UHFFFAOYSA-N -1 1 374.771 4.117 20 30 FIEDMM N#Cc1ccc(C(=O)N2CCC[C@@H]2c2cccc(Br)c2)cc1[O-] ZINC000190781374 1101346041 /nfs/dbraw/zinc/34/60/41/1101346041.db2.gz XKURDAWPUMULNS-MRXNPFEDSA-N -1 1 371.234 4.004 20 30 FIEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000439619999 1101599297 /nfs/dbraw/zinc/59/92/97/1101599297.db2.gz IJWYODGPZXKIPY-UHFFFAOYSA-N -1 1 370.261 4.098 20 30 FIEDMM Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000190974212 1101725282 /nfs/dbraw/zinc/72/52/82/1101725282.db2.gz AVPHQYSMTABYNC-LBPRGKRZSA-N -1 1 363.442 4.187 20 30 FIEDMM C=C[C@@](C)(CC)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000190556801 1104926397 /nfs/dbraw/zinc/92/63/97/1104926397.db2.gz FJRGYRXANIXBJD-IBGZPJMESA-N -1 1 358.463 4.028 20 30 FIEDMM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427768115 1105276436 /nfs/dbraw/zinc/27/64/36/1105276436.db2.gz DGUBADREHUNGHV-UHFFFAOYSA-N -1 1 358.438 4.350 20 30 FIEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(Cl)c(C)c(Cl)c1 ZINC000507981031 1105287516 /nfs/dbraw/zinc/28/75/16/1105287516.db2.gz ACJRNQASQVNRNN-UHFFFAOYSA-N -1 1 370.261 4.016 20 30 FIEDMM CCOc1cc(-c2noc(-c3ccc(C#N)cc3C)n2)cc(Cl)c1[O-] ZINC000445399241 1108727893 /nfs/dbraw/zinc/72/78/93/1108727893.db2.gz CBRLHQRSSUCOKH-UHFFFAOYSA-N -1 1 355.781 4.341 20 30 FIEDMM Cc1oc(-c2ccccc2)nc1C([O-])=C(C#N)c1nc2cccc(C)c2[nH]1 ZINC000524033075 1108764064 /nfs/dbraw/zinc/76/40/64/1108764064.db2.gz BQELZWONOFTUFR-HNNXBMFYSA-N -1 1 356.385 4.325 20 30 FIEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1C ZINC000462106623 1111495292 /nfs/dbraw/zinc/49/52/92/1111495292.db2.gz XPFGKJXUWROISR-UHFFFAOYSA-N -1 1 363.870 4.143 20 30 FIEDMM COc1ccc(/C=C/C(=O)c2cc(C)ccc2[O-])cc1OCCCC#N ZINC000156697619 1114500829 /nfs/dbraw/zinc/50/08/29/1114500829.db2.gz GZTOVCLSVRCRCB-RMKNXTFCSA-N -1 1 351.402 4.288 20 30 FIEDMM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1csc(-c2ccoc2)n1 ZINC000171776757 1115874641 /nfs/dbraw/zinc/87/46/41/1115874641.db2.gz SCIGSJICNSJGCP-ZDUSSCGKSA-N -1 1 371.805 4.018 20 30 FIEDMM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)cc1 ZINC000535138029 1116273238 /nfs/dbraw/zinc/27/32/38/1116273238.db2.gz NGULSLMQSQLREZ-UHFFFAOYSA-N -1 1 352.818 4.081 20 30 FIEDMM N#Cc1ccc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)cc1[O-] ZINC000442903319 1116328949 /nfs/dbraw/zinc/32/89/49/1116328949.db2.gz YFRVYCNHXKBTJS-SFHVURJKSA-N -1 1 366.467 4.175 20 30 FIEDMM N#Cc1ccc(C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)cc1[O-] ZINC000443334145 1118034177 /nfs/dbraw/zinc/03/41/77/1118034177.db2.gz PYAUDRWTSQOSII-UHFFFAOYSA-N -1 1 364.351 4.061 20 30 FIEDMM CC(C)(C)[C@](C)(C#N)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000464419980 1118558114 /nfs/dbraw/zinc/55/81/14/1118558114.db2.gz OMSITPYIAFLERK-ZDUSSCGKSA-N -1 1 369.701 4.253 20 30 FIEDMM N#CC(=C([O-])c1cc(Cl)cc([N+](=O)[O-])c1)c1cc(C(F)(F)F)ccn1 ZINC000464464113 1118571374 /nfs/dbraw/zinc/57/13/74/1118571374.db2.gz CWYVCFJUQPTHCT-LBPRGKRZSA-N -1 1 369.686 4.152 20 30 FIEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc(C(=O)c3cc[nH]c3)cc2)n1 ZINC000176615280 1119285549 /nfs/dbraw/zinc/28/55/49/1119285549.db2.gz VNJRXNAPMTXQHB-MRXNPFEDSA-N -1 1 363.442 4.316 20 30 FIEDMM CC(C)c1csc(C(C#N)=C([O-])c2cccc(OC[C@@H]3CCCO3)c2)n1 ZINC000177777348 1119351077 /nfs/dbraw/zinc/35/10/77/1119351077.db2.gz LTLYHFXUAMDENP-DLBZAZTESA-N -1 1 370.474 4.314 20 30 FIEDMM CCN(CC)C(=O)Nc1ccc(C(C)N=Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000914772721 1120531034 /nfs/dbraw/zinc/53/10/34/1120531034.db2.gz LYJYJPPNHAVXLT-UHFFFAOYSA-N -1 1 368.437 4.095 20 30 FIEDMM C[C@]1(C(=O)N([O-])Cc2cccc3ccccc32)CC(c2ccccc2)=NO1 ZINC001649069964 1121542219 /nfs/dbraw/zinc/54/22/19/1121542219.db2.gz NVLXQHIZVJASJU-JOCHJYFZSA-N -1 1 360.413 4.141 20 30 FIEDMM Cc1cc(S(=O)(=O)[N-]c2ccccc2S[C@H](C)CC#N)ccc1F ZINC000066813952 1122099002 /nfs/dbraw/zinc/09/90/02/1122099002.db2.gz JEUBWNIVVMDGFT-CYBMUJFWSA-N -1 1 364.467 4.329 20 30 FIEDMM CC[C@H](c1nnc([N-]C(=O)c2sccc2C#N)s1)c1ccccc1 ZINC000106719825 1122235834 /nfs/dbraw/zinc/23/58/34/1122235834.db2.gz VZMQJTIYKXXAOY-ZDUSSCGKSA-N -1 1 354.460 4.265 20 30 FIEDMM Cn1cc(/C=C2\Oc3cc([O-])ccc3C2=O)c(-c2cc3ccccc3o2)n1 ZINC000920065740 1123325607 /nfs/dbraw/zinc/32/56/07/1123325607.db2.gz IXVLUGVJUOXKEA-OCKHKDLRSA-N -1 1 358.353 4.155 20 30 FIEDMM CCCC(C)=CC(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000920325215 1123444378 /nfs/dbraw/zinc/44/43/78/1123444378.db2.gz XBBDZEXMKUVOQA-YGNAEDSMSA-N -1 1 355.463 4.198 20 30 FIEDMM CC(C)c1csc(C(C#N)=C([O-])c2cccc(NC(=O)NC3CC3)c2)n1 ZINC000080450098 1123965884 /nfs/dbraw/zinc/96/58/84/1123965884.db2.gz GVEPGYDDCZEZPX-OAHLLOKOSA-N -1 1 368.462 4.040 20 30 FIEDMM CSc1nc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c2ccccn12 ZINC000080453407 1123966142 /nfs/dbraw/zinc/96/61/42/1123966142.db2.gz MQSBZGHPAYABKM-NSHDSACASA-N -1 1 356.476 4.126 20 30 FIEDMM CC(C)c1csc(C(C#N)=C([O-])c2cccc(Oc3cnccn3)c2)n1 ZINC000080456070 1123966325 /nfs/dbraw/zinc/96/63/25/1123966325.db2.gz PQNNFTROTNSBIL-HNNXBMFYSA-N -1 1 364.430 4.339 20 30 FIEDMM N#Cc1ccccc1CSCCNC(=O)c1cc2ccccc2cc1[O-] ZINC000302542090 1124321854 /nfs/dbraw/zinc/32/18/54/1124321854.db2.gz UFEQITMWJYZWIA-UHFFFAOYSA-N -1 1 362.454 4.080 20 30 FIEDMM CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000511725678 1124563528 /nfs/dbraw/zinc/56/35/28/1124563528.db2.gz COIWBVBUKNPPFE-GFCCVEGCSA-N -1 1 364.854 4.190 20 30 FIEDMM N#Cc1ccsc1C(=O)[N-]c1c2ccccc2oc1C(=O)c1ccco1 ZINC000110169694 1124719752 /nfs/dbraw/zinc/71/97/52/1124719752.db2.gz YEQJVTALYFFCDR-UHFFFAOYSA-N -1 1 362.366 4.442 20 30 FIEDMM CC(C=C(C)c1nc(C)c(C#N)c(=O)[n-]1)=Cc1ccccc1OC(F)F ZINC000568041573 567818916 /nfs/dbraw/zinc/81/89/16/567818916.db2.gz IZFNMEUAVXBEJK-JTTDQXDJSA-N -1 1 357.360 4.471 20 30 FIEDMM CC(C=C(C)c1nc(C)c(C#N)c(=O)[n-]1)=Cc1ccccc1OC(F)F ZINC000568041575 567819001 /nfs/dbraw/zinc/81/90/01/567819001.db2.gz IZFNMEUAVXBEJK-WBWBCYDVSA-N -1 1 357.360 4.471 20 30 FIEDMM N#Cc1ccc(OC2CCN(C(=O)c3cc4ccccc4cc3[O-])CC2)cc1 ZINC000436567171 567883854 /nfs/dbraw/zinc/88/38/54/567883854.db2.gz YLCRHMWUZTXDLY-UHFFFAOYSA-N -1 1 372.424 4.101 20 30 FIEDMM N#CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000603624468 568127070 /nfs/dbraw/zinc/12/70/70/568127070.db2.gz IDAFIOICZPHJPX-UHFFFAOYSA-N -1 1 360.438 4.125 20 30 FIEDMM O=C(NC(CCC(F)(F)F)CCC(F)(F)F)c1ccc([O-])c(F)c1 ZINC000619127231 1125475867 /nfs/dbraw/zinc/47/58/67/1125475867.db2.gz VXZGPBRDDMAXLN-UHFFFAOYSA-N -1 1 361.257 4.315 20 30 FIEDMM Cc1cc(Nc2ccc(I)cc2C#N)cc([O-])c1F ZINC001216082903 1083068620 /nfs/dbraw/zinc/06/86/20/1083068620.db2.gz JZUVGZINXCDEOE-UHFFFAOYSA-N -1 1 368.149 4.060 20 30 FIEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)Cc2ccccc2-3)c1 ZINC000619461402 1125595859 /nfs/dbraw/zinc/59/58/59/1125595859.db2.gz XOMWEQBSDHHPOA-UHFFFAOYSA-N -1 1 360.438 4.125 20 30 FIEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc3oc4ccccc4c3c2)c1 ZINC000619461200 1125596129 /nfs/dbraw/zinc/59/61/29/1125596129.db2.gz UKJPBVVIOPUPIV-UHFFFAOYSA-N -1 1 362.410 4.453 20 30 FIEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)c(F)c2)c1 ZINC000619463157 1125596214 /nfs/dbraw/zinc/59/62/14/1125596214.db2.gz LMTXYHIOTUNENS-UHFFFAOYSA-N -1 1 374.437 4.014 20 30 FIEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(CCC(F)(F)F)cc2)c1 ZINC000619463265 1125596450 /nfs/dbraw/zinc/59/64/50/1125596450.db2.gz BUQLFMGIPDTYPK-UHFFFAOYSA-N -1 1 368.380 4.048 20 30 FIEDMM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)CC2 ZINC000656183344 1081872602 /nfs/dbraw/zinc/87/26/02/1081872602.db2.gz BAEPIVCZALTNLI-UHFFFAOYSA-N -1 1 369.486 4.468 20 30 FIEDMM CCCOc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c(OC)c1 ZINC000647380036 1083377416 /nfs/dbraw/zinc/37/74/16/1083377416.db2.gz DYKRJUSJNQDIQH-OAHLLOKOSA-N -1 1 356.447 4.308 20 30 FIEDMM Cc1nc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)s1 ZINC000178707165 1085921824 /nfs/dbraw/zinc/92/18/24/1085921824.db2.gz HGJKEQKYAROJOJ-JTQLQIEISA-N -1 1 368.245 4.028 20 30 FIEDMM CCOc1c(Cl)cc(NC(=O)c2cc([O-])cc(C#N)c2)cc1Cl ZINC000589207308 1088569335 /nfs/dbraw/zinc/56/93/35/1088569335.db2.gz KCMIUGXZIDFNKQ-UHFFFAOYSA-N -1 1 351.189 4.222 20 30 FIEDMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccnn3CC(F)F)n2)cc1 ZINC000434616187 1088864626 /nfs/dbraw/zinc/86/46/26/1088864626.db2.gz OXGCMTPRDYXMPU-ZDUSSCGKSA-N -1 1 372.400 4.070 20 30 FIEDMM CCOc1cc(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)cc(Cl)c1[O-] ZINC000425138008 1088950140 /nfs/dbraw/zinc/95/01/40/1088950140.db2.gz YJPOODUDXPVOFR-GFCCVEGCSA-N -1 1 358.825 4.149 20 30 FIEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(CCC(F)(F)F)c2)ccc1C#N ZINC000435721723 1089909390 /nfs/dbraw/zinc/90/93/90/1089909390.db2.gz JRMWYLPIPGFQBF-UHFFFAOYSA-N -1 1 368.380 4.162 20 30 FIEDMM Cc1cccc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000046707110 1090018514 /nfs/dbraw/zinc/01/85/14/1090018514.db2.gz PFVOIUUYGVDCFX-CQSZACIVSA-N -1 1 363.442 4.074 20 30 FIEDMM N#Cc1ccc(C2=CCN(C(=O)c3cc4ccccc4cc3[O-])CC2)cc1 ZINC000439061705 1092792485 /nfs/dbraw/zinc/79/24/85/1092792485.db2.gz UTXMZIIHISZUGY-UHFFFAOYSA-N -1 1 354.409 4.347 20 30 FIEDMM N#Cc1ccc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc1[O-] ZINC000442903309 1092856073 /nfs/dbraw/zinc/85/60/73/1092856073.db2.gz YFRVYCNHXKBTJS-GOSISDBHSA-N -1 1 366.467 4.175 20 30 FIEDMM C=CCCC[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC001211739163 1092952108 /nfs/dbraw/zinc/95/21/08/1092952108.db2.gz GAJOFPXJKPZXIM-UHFFFAOYSA-N -1 1 373.099 4.000 20 30 FIEDMM N#Cc1ccc(C(=O)N2CCCCC[C@H]2/C=C\c2cccs2)cc1[O-] ZINC000443121420 1092953829 /nfs/dbraw/zinc/95/38/29/1092953829.db2.gz WSIIIDYIPFNRAX-IBSYWUHOSA-N -1 1 352.459 4.424 20 30 FIEDMM Cc1c(=O)[n-]c(SCc2cc(C#N)ccc2F)nc1-c1ccccc1 ZINC000185055554 1093350442 /nfs/dbraw/zinc/35/04/42/1093350442.db2.gz ZRGVIZLPNKEJKA-UHFFFAOYSA-N -1 1 351.406 4.048 20 30 FIEDMM CCOc1cc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)ccc1C ZINC000114619065 1093659866 /nfs/dbraw/zinc/65/98/66/1093659866.db2.gz UEQMHDSGEKPKAG-MRXNPFEDSA-N -1 1 363.442 4.402 20 30 FIEDMM N#CC(=C([O-])c1ccc(Cl)cc1[N+](=O)[O-])c1ccc2ccccc2n1 ZINC000047376067 1093732508 /nfs/dbraw/zinc/73/25/08/1093732508.db2.gz HIBCFDYHVBWKQR-CQSZACIVSA-N -1 1 351.749 4.286 20 30 FIEDMM N#Cc1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1Cl ZINC000323452467 1093753579 /nfs/dbraw/zinc/75/35/79/1093753579.db2.gz BBJPMOXUBFYMQK-UHFFFAOYSA-N -1 1 360.744 4.031 20 30 FIEDMM Cc1cc(C=Nn2c(SCc3ccccc3)n[n-]c2=S)ccc1F ZINC000729143809 1093933871 /nfs/dbraw/zinc/93/38/71/1093933871.db2.gz SBWDACJYBFYKFC-UHFFFAOYSA-N -1 1 358.467 4.189 20 30 FIEDMM Cc1ccc2c(Cl)c(C([O-])=C(C#N)C(=O)Nc3ccccn3)sc2c1 ZINC000729186429 1093941521 /nfs/dbraw/zinc/94/15/21/1093941521.db2.gz VDANXVCAMCHGDV-LBPRGKRZSA-N -1 1 369.833 4.219 20 30 FIEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccccc1-c1cccs1 ZINC000513373467 1094090326 /nfs/dbraw/zinc/09/03/26/1094090326.db2.gz RLPQUYRHTZVBHK-UHFFFAOYSA-N -1 1 354.456 4.396 20 30 FIEDMM N#CC(=C([O-])c1cc2cc([N+](=O)[O-])ccc2s1)c1nc2ccccc2[nH]1 ZINC000041496707 1094620033 /nfs/dbraw/zinc/62/00/33/1094620033.db2.gz MSSUXFGXAVUHKJ-LBPRGKRZSA-N -1 1 362.370 4.176 20 30 FIEDMM Cc1csc(C(C#N)=C([O-])c2cccc(NC(=O)C3CCCCC3)c2)n1 ZINC000041515293 1094638468 /nfs/dbraw/zinc/63/84/68/1094638468.db2.gz VFTVUHOFNIMFRV-QGZVFWFLSA-N -1 1 367.474 4.460 20 30 FIEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(OC3CCCCC3)cc2)c1 ZINC000522528798 1095110734 /nfs/dbraw/zinc/11/07/34/1095110734.db2.gz OLADRFQALWRHLL-UHFFFAOYSA-N -1 1 356.447 4.071 20 30 FIEDMM C=CCCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000522598520 1095173730 /nfs/dbraw/zinc/17/37/30/1095173730.db2.gz IOAJFYOIBYQDFM-UHFFFAOYSA-N -1 1 358.463 4.009 20 30 FIEDMM Cc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)ccc1-n1cccn1 ZINC000422120460 1096090152 /nfs/dbraw/zinc/09/01/52/1096090152.db2.gz MSPLUPMRZROCJJ-HNNXBMFYSA-N -1 1 350.447 4.251 20 30 FIEDMM CC(C)COc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000515630065 1098777346 /nfs/dbraw/zinc/77/73/46/1098777346.db2.gz UCIWNJRUTGBEAY-UHFFFAOYSA-N -1 1 364.854 4.047 20 30 FIEDMM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436750876 1099284746 /nfs/dbraw/zinc/28/47/46/1099284746.db2.gz ICRQJPPLIBZCJD-IAGOWNOFSA-N -1 1 374.362 4.323 20 30 FIEDMM CCOC(=O)CCCc1ccc(C#N)cc1Nc1ccc([O-])c(F)c1F ZINC001212016631 1099382628 /nfs/dbraw/zinc/38/26/28/1099382628.db2.gz ZQTRQZBFXPTTPP-UHFFFAOYSA-N -1 1 360.360 4.171 20 30 FIEDMM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c2cccnc2c1C ZINC000437311935 1099804180 /nfs/dbraw/zinc/80/41/80/1099804180.db2.gz XDLXWEJDIBNTIH-UHFFFAOYSA-N -1 1 371.849 4.178 20 30 FIEDMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)cc1 ZINC000438799047 1100919420 /nfs/dbraw/zinc/91/94/20/1100919420.db2.gz WKOOWDANQHPWNU-UHFFFAOYSA-N -1 1 370.474 4.127 20 30 FIEDMM Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000190974193 1101726344 /nfs/dbraw/zinc/72/63/44/1101726344.db2.gz AVPHQYSMTABYNC-GFCCVEGCSA-N -1 1 363.442 4.187 20 30 FIEDMM C[C@@H]1[C@@H](C(=O)[N-][C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)C1(F)F ZINC000461088335 1104070220 /nfs/dbraw/zinc/07/02/20/1104070220.db2.gz UJUXLADBRJWNCK-UASFKTIASA-N -1 1 361.232 4.326 20 30 FIEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(CCC(F)(F)F)c1 ZINC000441761953 1105180341 /nfs/dbraw/zinc/18/03/41/1105180341.db2.gz MLCAMYKFRDJXIR-UHFFFAOYSA-N -1 1 368.380 4.162 20 30 FIEDMM C=CCCCS(=O)(=O)[N-]c1ccc(Br)cc1C(F)(F)F ZINC000427792507 1105278206 /nfs/dbraw/zinc/27/82/06/1105278206.db2.gz JJSUQIDWZQFDSK-UHFFFAOYSA-N -1 1 372.206 4.176 20 30 FIEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccccc1Cc1ccccc1 ZINC000524850966 1109180878 /nfs/dbraw/zinc/18/08/78/1109180878.db2.gz JFOZMALAUWEHLN-UHFFFAOYSA-N -1 1 362.454 4.258 20 30 FIEDMM Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3ccco3)cc2F)c1C#N ZINC000447273074 1109486642 /nfs/dbraw/zinc/48/66/42/1109486642.db2.gz USDUNIUTSFHXQP-UHFFFAOYSA-N -1 1 356.378 4.067 20 30 FIEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)c1 ZINC000479128199 1111950506 /nfs/dbraw/zinc/95/05/06/1111950506.db2.gz IHZXKLWCMKDTAG-UHFFFAOYSA-N -1 1 371.380 4.157 20 30 FIEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C3CCC3)cc2)n1 ZINC000482589530 1113304337 /nfs/dbraw/zinc/30/43/37/1113304337.db2.gz SRENEQXZJBTJKE-OAHLLOKOSA-N -1 1 354.431 4.077 20 30 FIEDMM C=CCN(Cc1ccccc1F)C(=O)c1ccc(Br)c([O-])c1 ZINC000486420487 1113563575 /nfs/dbraw/zinc/56/35/75/1113563575.db2.gz DQHKHYGDIKCTJP-UHFFFAOYSA-N -1 1 364.214 4.122 20 30 FIEDMM O=C(/C=C\c1ccc([O-])c(Br)c1)c1ccc(-n2cccn2)cc1 ZINC000912858847 1114231596 /nfs/dbraw/zinc/23/15/96/1114231596.db2.gz HCYSCRMHZGFDRL-WAPJZHGLSA-N -1 1 369.218 4.237 20 30 FIEDMM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1F)c1cc(F)c(F)cc1F ZINC000591796515 1115139752 /nfs/dbraw/zinc/13/97/52/1115139752.db2.gz CKQDREPDWYWEOZ-UHFFFAOYSA-N -1 1 373.249 4.063 20 30 FIEDMM CC(C)(C#N)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(C3CC3)c2)cc1 ZINC000593212880 1115306977 /nfs/dbraw/zinc/30/69/77/1115306977.db2.gz DIKAYCYCPNUHKY-UHFFFAOYSA-N -1 1 358.438 4.305 20 30 FIEDMM O=C1c2ccc([O-])cc2O/C1=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000171880281 1115880809 /nfs/dbraw/zinc/88/08/09/1115880809.db2.gz MPHGNZPCPVHZMG-FRKPEAEDSA-N -1 1 366.354 4.040 20 30 FIEDMM CC(C)N(Cc1cccc(Br)c1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000443321925 1118000082 /nfs/dbraw/zinc/00/00/82/1118000082.db2.gz QYMITFDOXIBAAN-UHFFFAOYSA-N -1 1 373.250 4.077 20 30 FIEDMM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3cc(C#N)ccc3C)c2)n1 ZINC000443402034 1118230531 /nfs/dbraw/zinc/23/05/31/1118230531.db2.gz FTUWFWMFHPLAEA-UHFFFAOYSA-N -1 1 369.471 4.099 20 30 FIEDMM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cc(C#N)cs2)cc1 ZINC000176461103 1119432267 /nfs/dbraw/zinc/43/22/67/1119432267.db2.gz USCZVTYNLHWHDT-WBMJQRKESA-N -1 1 351.431 4.094 20 30 FIEDMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc(C3(C#N)CC3)cc2)c1 ZINC000182924635 1119563288 /nfs/dbraw/zinc/56/32/88/1119563288.db2.gz JJBOPQUKVOEXGQ-UHFFFAOYSA-N -1 1 371.234 4.271 20 30 FIEDMM CCc1ccccc1S(=O)(=O)[N-]c1ccccc1SC[C@H](C)C#N ZINC000187437292 1119783600 /nfs/dbraw/zinc/78/36/00/1119783600.db2.gz VEDWRTDQSAZMGV-CQSZACIVSA-N -1 1 360.504 4.302 20 30 FIEDMM CCC[C@H](C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3)C(C)C ZINC000153138795 1120021047 /nfs/dbraw/zinc/02/10/47/1120021047.db2.gz BPJXELIZWIIKPN-GXTWGEPZSA-N -1 1 371.506 4.112 20 30 FIEDMM N#Cc1ccsc1C(=O)[N-]c1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000303026382 1120726229 /nfs/dbraw/zinc/72/62/29/1120726229.db2.gz MYIQAZPPRMQCOG-UHFFFAOYSA-N -1 1 370.503 4.191 20 30 FIEDMM Cc1cccc(S(=O)(=O)[N-]c2ccc([C@H](C#N)c3ccccc3)cc2)c1 ZINC000915187642 1120860012 /nfs/dbraw/zinc/86/00/12/1120860012.db2.gz IAVCDJZNLJYDPQ-OAQYLSRUSA-N -1 1 362.454 4.451 20 30 FIEDMM O=C(C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)c1ccc2c(c1)CCC2 ZINC001649025945 1121260809 /nfs/dbraw/zinc/26/08/09/1121260809.db2.gz HVCYRYIPPLAJFG-UHFFFAOYSA-N -1 1 364.228 4.083 20 30 FIEDMM C[C@@]1(C(=O)N([O-])Cc2cccc3ccccc32)CC(c2ccccc2)=NO1 ZINC001649069965 1121542447 /nfs/dbraw/zinc/54/24/47/1121542447.db2.gz NVLXQHIZVJASJU-QFIPXVFZSA-N -1 1 360.413 4.141 20 30 FIEDMM CC(=NNc1[n-]cnc2ncnc1-2)c1ccc2c(c1)Nc1ccccc1S2 ZINC000917555955 1122359747 /nfs/dbraw/zinc/35/97/47/1122359747.db2.gz QXLOQIOJLAKLHI-UHFFFAOYSA-N -1 1 373.445 4.397 20 30 FIEDMM CSc1[n-]c(=O)c(C(=O)Oc2ccc(C)c3ccccc23)cc1C#N ZINC001272670028 1123254576 /nfs/dbraw/zinc/25/45/76/1123254576.db2.gz OVCIEYBUIJEZNS-UHFFFAOYSA-N -1 1 350.399 4.062 20 30 FIEDMM Cc1ccc(/C=C/S(=O)(=O)[N-]c2cc(C#N)ccc2OC(C)C)cc1 ZINC000919960371 1123285707 /nfs/dbraw/zinc/28/57/07/1123285707.db2.gz SXJDTCBGGSINRU-ZHACJKMWSA-N -1 1 356.447 4.067 20 30 FIEDMM Cc1csc(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)cc3C)c2)n1 ZINC000610123997 1123946965 /nfs/dbraw/zinc/94/69/65/1123946965.db2.gz YXXCNVXEAZEFMZ-UHFFFAOYSA-N -1 1 369.471 4.099 20 30 FIEDMM Cc1nc(NC(=O)c2cc([O-])cc(C#N)c2)sc1Cc1cccc(F)c1 ZINC000618445188 1125179015 /nfs/dbraw/zinc/17/90/15/1125179015.db2.gz AYWKGWNDZZDNLS-UHFFFAOYSA-N -1 1 367.405 4.011 20 30 FIEDMM CSCCc1ccccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000601979368 567894969 /nfs/dbraw/zinc/89/49/69/567894969.db2.gz LTVXORXCDBVEFD-UHFFFAOYSA-N -1 1 374.531 4.194 20 30 FIEDMM Cc1c(Cl)cc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1Cl ZINC000619462409 1125596178 /nfs/dbraw/zinc/59/61/78/1125596178.db2.gz QLSYSKMQLYNIET-UHFFFAOYSA-N -1 1 355.246 4.169 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)Nc2cccc(OCCc3ccccc3)c2)c1 ZINC000619732537 1125679490 /nfs/dbraw/zinc/67/94/90/1125679490.db2.gz MYWQBDMRCQFOJW-UHFFFAOYSA-N -1 1 358.397 4.138 20 30 FIEDMM C=CCn1c(SCC(=O)c2ccc([O-])cc2)nnc1-c1ccc(C)cc1 ZINC000580060678 1081565015 /nfs/dbraw/zinc/56/50/15/1081565015.db2.gz ZOJSSCQEIZLFGL-UHFFFAOYSA-N -1 1 365.458 4.120 20 30 FIEDMM C=CCN(CC=C)C(=O)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430605376 1082597691 /nfs/dbraw/zinc/59/76/91/1082597691.db2.gz SLILCSCFJKOQLZ-UHFFFAOYSA-N -1 1 360.413 4.135 20 30 FIEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccccc2NC2CCCCC2)c1 ZINC000535737970 1083611088 /nfs/dbraw/zinc/61/10/88/1083611088.db2.gz VSHXGLDNOYWOKX-UHFFFAOYSA-N -1 1 355.463 4.104 20 30 FIEDMM O=C1c2cc(Br)ccc2OC/C1=C\c1ccc([O-])c(Cl)c1 ZINC000072042101 1084602378 /nfs/dbraw/zinc/60/23/78/1084602378.db2.gz HIXHOHMHBHLQDK-BJMVGYQFSA-N -1 1 365.610 4.467 20 30 FIEDMM C=CCN(CCCCCC(=O)[O-])Cc1cc(Br)ccc1F ZINC000582491033 1085066025 /nfs/dbraw/zinc/06/60/25/1085066025.db2.gz SGLLPGRAYVSWIJ-UHFFFAOYSA-N -1 1 358.251 4.221 20 30 FIEDMM N#Cc1ccc(C(=O)N(Cc2cccs2)C2Cc3ccccc3C2)cc1[O-] ZINC000582562790 1085149860 /nfs/dbraw/zinc/14/98/60/1085149860.db2.gz DNEDPIMZTVQXTB-UHFFFAOYSA-N -1 1 374.465 4.135 20 30 FIEDMM Cc1csc(C(C#N)=C([O-])c2ccc(Cl)c(Br)c2)n1 ZINC000511866581 1085210973 /nfs/dbraw/zinc/21/09/73/1085210973.db2.gz CWRVLGZUILJLRS-SECBINFHSA-N -1 1 355.644 4.358 20 30 FIEDMM CCc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)oc1CC ZINC000128758071 1086598549 /nfs/dbraw/zinc/59/85/49/1086598549.db2.gz NEUKCCAJHTWMSY-ZDUSSCGKSA-N -1 1 374.824 4.028 20 30 FIEDMM CC(=O)c1ncc(C(=O)[N-]c2sc3c(c2C#N)C[C@@H](C)C[C@@H]3C)s1 ZINC000415739657 1089884928 /nfs/dbraw/zinc/88/49/28/1089884928.db2.gz VWRSFIQQEUESRB-IUCAKERBSA-N -1 1 359.476 4.217 20 30 FIEDMM C=CCC(C)(C)C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000432014401 1091534160 /nfs/dbraw/zinc/53/41/60/1091534160.db2.gz OQMDYJBZHJBAOS-UHFFFAOYSA-N -1 1 372.490 4.337 20 30 FIEDMM CC1(c2ccc(Cl)cc2)CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000473309104 1092728152 /nfs/dbraw/zinc/72/81/52/1092728152.db2.gz LVRBEZFWLSBTFI-UHFFFAOYSA-N -1 1 354.837 4.111 20 30 FIEDMM N#Cc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2F)cc1[O-] ZINC000442941734 1092876871 /nfs/dbraw/zinc/87/68/71/1092876871.db2.gz GKIYNUVJVIEHBM-UHFFFAOYSA-N -1 1 360.388 4.246 20 30 FIEDMM CN(Cc1ccccc1)c1ccccc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614366374 1093767734 /nfs/dbraw/zinc/76/77/34/1093767734.db2.gz VMOVFXFIPFOIJO-UHFFFAOYSA-N -1 1 357.413 4.153 20 30 FIEDMM Nc1ccc(F)c(Nc2ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc2)c1 ZINC001211833249 1093890804 /nfs/dbraw/zinc/89/08/04/1093890804.db2.gz LSGPTRHMAYXLGT-UHFFFAOYSA-N -1 1 368.252 4.464 20 30 FIEDMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000329117889 1094745282 /nfs/dbraw/zinc/74/52/82/1094745282.db2.gz UTHLFBOQPREHIG-AEGPPILISA-N -1 1 368.474 4.392 20 30 FIEDMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC000329117890 1094745438 /nfs/dbraw/zinc/74/54/38/1094745438.db2.gz UTHLFBOQPREHIG-BPLDGKMQSA-N -1 1 368.474 4.392 20 30 FIEDMM C=CCC1(c2nc(-c3cc(Br)c([O-])c(OC)c3)no2)CCC1 ZINC000436880191 1099395233 /nfs/dbraw/zinc/39/52/33/1099395233.db2.gz PZOOZSFKKXFQED-UHFFFAOYSA-N -1 1 365.227 4.211 20 30 FIEDMM Cc1cccc(NC(=O)C(C#N)=C([O-])c2csc(-c3cccs3)n2)c1 ZINC000127707509 1099494261 /nfs/dbraw/zinc/49/42/61/1099494261.db2.gz BCLNSERNOGRXEP-CYBMUJFWSA-N -1 1 367.455 4.141 20 30 FIEDMM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1scnc1C1CC1 ZINC000127841730 1101408789 /nfs/dbraw/zinc/40/87/89/1101408789.db2.gz YEQRHBKQEMLRKG-OAHLLOKOSA-N -1 1 367.474 4.106 20 30 FIEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)c1 ZINC000006316091 1101724341 /nfs/dbraw/zinc/72/43/41/1101724341.db2.gz LTRGDRINTLPHRU-UHFFFAOYSA-N -1 1 350.399 4.151 20 30 FIEDMM C=C[C@@](C)(CC)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000190525476 1104923696 /nfs/dbraw/zinc/92/36/96/1104923696.db2.gz MCVKYPQJIWZRGI-IBGZPJMESA-N -1 1 358.463 4.028 20 30 FIEDMM CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000186573407 1107645460 /nfs/dbraw/zinc/64/54/60/1107645460.db2.gz VUPRAUNSUDFCPQ-UHFFFAOYSA-N -1 1 372.852 4.368 20 30 FIEDMM C=C(C)[C@@H](Cc1nc(-c2cc(Cl)c([O-])c(OCC)c2)no1)OCC ZINC000445431326 1108742633 /nfs/dbraw/zinc/74/26/33/1108742633.db2.gz NOHWAYBHSISZBE-CYBMUJFWSA-N -1 1 352.818 4.018 20 30 FIEDMM CCOc1nc(C)ccc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000482572430 1113300712 /nfs/dbraw/zinc/30/07/12/1113300712.db2.gz DPFMYKFTNGHJRT-ZDUSSCGKSA-N -1 1 370.359 4.024 20 30 FIEDMM N#CC(=C([O-])c1ccc(Oc2ccccc2)nc1)c1cnc2ccccc2n1 ZINC000483207223 1113465331 /nfs/dbraw/zinc/46/53/31/1113465331.db2.gz DOPBUXHPDKCNDS-KRWDZBQOSA-N -1 1 366.380 4.307 20 30 FIEDMM N#CC(=C([O-])c1ccc(Oc2ccccc2)nc1)c1cnc2ccccc2n1 ZINC000483207226 1113465735 /nfs/dbraw/zinc/46/57/35/1113465735.db2.gz DOPBUXHPDKCNDS-QGZVFWFLSA-N -1 1 366.380 4.307 20 30 FIEDMM CCc1nc(SCc2ccc(C#N)cc2C(F)(F)F)[n-]c(=O)c1C ZINC000594903551 1115487357 /nfs/dbraw/zinc/48/73/57/1115487357.db2.gz HIHMWXYZJDTSDC-UHFFFAOYSA-N -1 1 353.369 4.236 20 30 FIEDMM C[C@H]1CCc2sc([N-]C(=O)c3ncoc3-c3ccon3)c(C#N)c2[C@H]1C ZINC000598849276 1115762271 /nfs/dbraw/zinc/76/22/71/1115762271.db2.gz ZTCBTAPBMWZJHG-UWVGGRQHSA-N -1 1 368.418 4.201 20 30 FIEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)c2ccccc12 ZINC000603974306 1115837529 /nfs/dbraw/zinc/83/75/29/1115837529.db2.gz LXGHZHVPBIKNGS-UHFFFAOYSA-N -1 1 372.833 4.174 20 30 FIEDMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccc4c(c3)ncn4C)n2)cc1 ZINC000539680503 1116365484 /nfs/dbraw/zinc/36/54/84/1116365484.db2.gz TVGMSBKBXIKBFN-INIZCTEOSA-N -1 1 372.453 4.495 20 30 FIEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)ccc1F ZINC000609106861 1117790335 /nfs/dbraw/zinc/79/03/35/1117790335.db2.gz PHRZNSWZZFZPHP-UHFFFAOYSA-N -1 1 364.401 4.069 20 30 FIEDMM N#Cc1ccc(C(=O)N2CCC[C@H]2c2ccc(Br)cc2)cc1[O-] ZINC000443283420 1117872237 /nfs/dbraw/zinc/87/22/37/1117872237.db2.gz MHXSHANXLUQROP-INIZCTEOSA-N -1 1 371.234 4.004 20 30 FIEDMM COc1ccc(CN(Cc2ccccc2)C(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000443333150 1118040787 /nfs/dbraw/zinc/04/07/87/1118040787.db2.gz JCUIXFRYJSBUPG-UHFFFAOYSA-N -1 1 372.424 4.115 20 30 FIEDMM CSc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)cc1 ZINC000443404264 1118226585 /nfs/dbraw/zinc/22/65/85/1118226585.db2.gz FKHZCYGYCZUSEZ-UHFFFAOYSA-N -1 1 372.393 4.100 20 30 FIEDMM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccccc2CC#N)cc1 ZINC000193362450 1120133683 /nfs/dbraw/zinc/13/36/83/1120133683.db2.gz QUWZFBVWCYSMRT-UHFFFAOYSA-N -1 1 358.463 4.122 20 30 FIEDMM O=C([O-])c1ccccc1N=NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000915955677 1121353518 /nfs/dbraw/zinc/35/35/18/1121353518.db2.gz IISVHBWHIFKVJP-UHFFFAOYSA-N -1 1 374.322 4.035 20 30 FIEDMM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1ccc(Cl)s1 ZINC000916900723 1121914449 /nfs/dbraw/zinc/91/44/49/1121914449.db2.gz RWUKHWUERLBORN-ZDUSSCGKSA-N -1 1 360.866 4.487 20 30 FIEDMM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2noc3c2CCCC3)cc1 ZINC000916951178 1121973484 /nfs/dbraw/zinc/97/34/84/1121973484.db2.gz XOTUASWCLBUKHN-SUMWQHHRSA-N -1 1 365.433 4.028 20 30 FIEDMM C[C@@H](CC#N)Sc1ccccc1[N-]C(=O)c1cc(-c2ccccn2)no1 ZINC000073496702 1121998531 /nfs/dbraw/zinc/99/85/31/1121998531.db2.gz JVALILPOGKCMRC-ZDUSSCGKSA-N -1 1 364.430 4.383 20 30 FIEDMM COCCn1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c2ccccc21 ZINC000080450157 1123965832 /nfs/dbraw/zinc/96/58/32/1123965832.db2.gz CCDOUJUQBIYUBN-OAHLLOKOSA-N -1 1 367.474 4.358 20 30 FIEDMM CCc1cccc(S(=O)(=O)[N-]c2ccccc2SC[C@@H](C)C#N)c1 ZINC000080940073 1123977987 /nfs/dbraw/zinc/97/79/87/1123977987.db2.gz DSUBYBQVLXVLRM-AWEZNQCLSA-N -1 1 360.504 4.302 20 30 FIEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(SC(C)C)cc2)n1 ZINC000067897746 1123985383 /nfs/dbraw/zinc/98/53/83/1123985383.db2.gz YVCHXEDKVHIHTQ-CQSZACIVSA-N -1 1 374.487 4.310 20 30 FIEDMM O=C(CCc1cccc(OC2CCCC2)c1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000067910153 1123987704 /nfs/dbraw/zinc/98/77/04/1123987704.db2.gz REXNSIUBVWOFHQ-UHFFFAOYSA-N -1 1 368.359 4.366 20 30 FIEDMM Cc1ccc(-n2ncc(NC(=O)c3cc([O-])cc(C#N)c3)c2C(C)C)cc1 ZINC000616564257 1124348845 /nfs/dbraw/zinc/34/88/45/1124348845.db2.gz RYLBSZUMOPQHSI-UHFFFAOYSA-N -1 1 360.417 4.134 20 30 FIEDMM CC(C)C[C@H](C)CC(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000070031547 1125245067 /nfs/dbraw/zinc/24/50/67/1125245067.db2.gz CSAGTWQYPAWPFG-GXTWGEPZSA-N -1 1 371.506 4.112 20 30 FIEDMM C=CCOc1ccc(CN[C@H](C(=O)[O-])c2cc(F)ccc2F)cc1Cl ZINC000683174184 1079810676 /nfs/dbraw/zinc/81/06/76/1079810676.db2.gz RADQNQMSDWPRRL-KRWDZBQOSA-N -1 1 367.779 4.099 20 30 FIEDMM CCSCc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000610194083 1079898726 /nfs/dbraw/zinc/89/87/26/1079898726.db2.gz MNYVZADLLARYLV-UHFFFAOYSA-N -1 1 366.895 4.266 20 30 FIEDMM COc1c(Br)ccc(Nc2cccc(Cl)c2[O-])c1C#N ZINC001210222579 1081197750 /nfs/dbraw/zinc/19/77/50/1081197750.db2.gz PFHSBSMESLYTOR-UHFFFAOYSA-N -1 1 353.603 4.432 20 30 FIEDMM CN1CCc2c(C#N)c(Nc3cc(Cl)c([O-])c(Cl)c3)sc2C1 ZINC001210924912 1081851913 /nfs/dbraw/zinc/85/19/13/1081851913.db2.gz XGDBREGSNBAKBN-UHFFFAOYSA-N -1 1 354.262 4.364 20 30 FIEDMM CC(C)(C)c1cnc(C(C#N)C(=O)c2cncn2-c2ccc(F)cc2)s1 ZINC000430589642 1082533465 /nfs/dbraw/zinc/53/34/65/1082533465.db2.gz IUNXJXZQSQAVAH-AWEZNQCLSA-N -1 1 368.437 4.255 20 30 FIEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cncn2-c2ccc(F)cc2)s1 ZINC000430589642 1082533469 /nfs/dbraw/zinc/53/34/69/1082533469.db2.gz IUNXJXZQSQAVAH-AWEZNQCLSA-N -1 1 368.437 4.255 20 30 FIEDMM CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(Br)ccc1[O-] ZINC000220103755 1082729982 /nfs/dbraw/zinc/72/99/82/1082729982.db2.gz VYSKRXUIPKOMGB-UHFFFAOYSA-N -1 1 373.250 4.079 20 30 FIEDMM CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Br)c([O-])c1 ZINC000135430245 1083300681 /nfs/dbraw/zinc/30/06/81/1083300681.db2.gz LCNSUBLCMJJEAR-UHFFFAOYSA-N -1 1 373.250 4.079 20 30 FIEDMM CC(=CC(C)(C)C)C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000588507519 1084771729 /nfs/dbraw/zinc/77/17/29/1084771729.db2.gz STCFCPIFJJLFRH-FUWURINLSA-N -1 1 369.490 4.444 20 30 FIEDMM CCCCCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC001167575908 1085025118 /nfs/dbraw/zinc/02/51/18/1085025118.db2.gz BLJGVTYIRAKZEB-UHFFFAOYSA-N -1 1 374.506 4.188 20 30 FIEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C(C)(C)CC)cc2)n1 ZINC000511883316 1085299608 /nfs/dbraw/zinc/29/96/08/1085299608.db2.gz DICHOVWASYWUQI-OAHLLOKOSA-N -1 1 370.474 4.497 20 30 FIEDMM CC(C)c1csc(C(C#N)=C([O-])c2cnc3c(cnn3C(C)C)c2)n1 ZINC000080459228 1086744880 /nfs/dbraw/zinc/74/48/80/1086744880.db2.gz STBDCKRVEQHOBY-CQSZACIVSA-N -1 1 353.451 4.082 20 30 FIEDMM C=CCC1(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)CCC1 ZINC000188675848 1086887280 /nfs/dbraw/zinc/88/72/80/1086887280.db2.gz GCKHQIOVZNBWOJ-UHFFFAOYSA-N -1 1 370.474 4.172 20 30 FIEDMM C[C@]([N-]C(=O)c1c(F)c(F)cc(F)c1F)(c1ccccc1)C(F)(F)F ZINC000504583462 1087736873 /nfs/dbraw/zinc/73/68/73/1087736873.db2.gz AFNAXLUWPNTYDU-HNNXBMFYSA-N -1 1 365.248 4.451 20 30 FIEDMM C=CC(C)(C)CC(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000892424102 1087759788 /nfs/dbraw/zinc/75/97/88/1087759788.db2.gz MAXZLIHZFNVFOD-GFCCVEGCSA-N -1 1 355.463 4.054 20 30 FIEDMM C=CC(C)(C)CC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000892424104 1087760637 /nfs/dbraw/zinc/76/06/37/1087760637.db2.gz MAXZLIHZFNVFOD-LBPRGKRZSA-N -1 1 355.463 4.054 20 30 FIEDMM N#Cc1csc(C(=O)[N-]c2c3ccccc3oc2C(=O)c2ccco2)c1 ZINC000176839992 1088087906 /nfs/dbraw/zinc/08/79/06/1088087906.db2.gz SDQZUVPNSQCMGO-UHFFFAOYSA-N -1 1 362.366 4.442 20 30 FIEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc3c(c2)[nH]c(=O)n3C2CC2)n1 ZINC000659115391 1088123667 /nfs/dbraw/zinc/12/36/67/1088123667.db2.gz XELUPGSZXAMAGG-ZDUSSCGKSA-N -1 1 366.446 4.147 20 30 FIEDMM Cc1csc(C(C#N)=C([O-])c2cc(Cl)cc(Br)c2)n1 ZINC000156245017 1089147269 /nfs/dbraw/zinc/14/72/69/1089147269.db2.gz IHGWYARTCXGPMJ-LLVKDONJSA-N -1 1 355.644 4.358 20 30 FIEDMM CCOc1cc(C(=O)N[C@@](C)(C#N)C2CCCCC2)cc(Cl)c1[O-] ZINC000515038462 1089732513 /nfs/dbraw/zinc/73/25/13/1089732513.db2.gz KDFMBVNTZJYCON-SFHVURJKSA-N -1 1 350.846 4.037 20 30 FIEDMM CC(=O)c1ncc(C(=O)[N-]c2sc3c(c2C#N)C[C@@H](C)C[C@H]3C)s1 ZINC000415739655 1089886199 /nfs/dbraw/zinc/88/61/99/1089886199.db2.gz VWRSFIQQEUESRB-DTWKUNHWSA-N -1 1 359.476 4.217 20 30 FIEDMM CCOc1cc(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)cc(Cl)c1[O-] ZINC000416343595 1090337632 /nfs/dbraw/zinc/33/76/32/1090337632.db2.gz SMWSYYNVFJAILZ-QGZVFWFLSA-N -1 1 370.836 4.123 20 30 FIEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)c1 ZINC000511727324 1091567137 /nfs/dbraw/zinc/56/71/37/1091567137.db2.gz AAIKTMKHXYROMG-UHFFFAOYSA-N -1 1 361.463 4.148 20 30 FIEDMM N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(O)cc2[O-])cc1F ZINC000439055017 1092791108 /nfs/dbraw/zinc/79/11/08/1092791108.db2.gz HEFAFMAGYOTMHN-UHFFFAOYSA-N -1 1 364.332 4.153 20 30 FIEDMM N#Cc1ccc(C(=O)N(CCc2cccc(F)c2)C2CCCC2)cc1[O-] ZINC000443041208 1092922183 /nfs/dbraw/zinc/92/21/83/1092922183.db2.gz AMFJVYMIPIZVQS-UHFFFAOYSA-N -1 1 352.409 4.030 20 30 FIEDMM N#Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1[O-] ZINC000443115889 1092950978 /nfs/dbraw/zinc/95/09/78/1092950978.db2.gz AKCQPVZFDZYGHK-IAGOWNOFSA-N -1 1 374.362 4.349 20 30 FIEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(OC(C)C)c(Cl)c1 ZINC000513403410 1094103125 /nfs/dbraw/zinc/10/31/25/1094103125.db2.gz UDRFIWVKFPVCEW-UHFFFAOYSA-N -1 1 364.854 4.108 20 30 FIEDMM N#Cc1ccc2c(c1)N(C(=O)c1cc(Oc3ccccc3)ccc1[O-])CC2 ZINC000436715961 1099247140 /nfs/dbraw/zinc/24/71/40/1099247140.db2.gz RAJIDLGMGWGFAA-UHFFFAOYSA-N -1 1 356.381 4.259 20 30 FIEDMM N#Cc1ccc2c(c1)N(C(=O)c1cc(CCc3ccccc3)ccc1[O-])CC2 ZINC000436717381 1099250250 /nfs/dbraw/zinc/25/02/50/1099250250.db2.gz WDQHKKRCKZCRCX-UHFFFAOYSA-N -1 1 368.436 4.252 20 30 FIEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(Cl)c(C(F)(F)F)c1 ZINC000324993415 1101825378 /nfs/dbraw/zinc/82/53/78/1101825378.db2.gz XDSAYIGJXGVYQV-UHFFFAOYSA-N -1 1 374.771 4.340 20 30 FIEDMM CCC(C)(C)OCc1ccccc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000475822927 1101975175 /nfs/dbraw/zinc/97/51/75/1101975175.db2.gz YGJPQCVWWZZTBJ-UHFFFAOYSA-N -1 1 372.490 4.259 20 30 FIEDMM Cc1cc(Br)c([O-])c(NC(=O)C[C@@H](CC#N)c2ccccc2)c1 ZINC000476558122 1102341227 /nfs/dbraw/zinc/34/12/27/1102341227.db2.gz AWULDNQLYLJVHH-CQSZACIVSA-N -1 1 373.250 4.489 20 30 FIEDMM CC(C)(C)C[N@H+](CCC#N)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000729467886 1102794610 /nfs/dbraw/zinc/79/46/10/1102794610.db2.gz HLRQKKPDBCTWDH-UHFFFAOYSA-N -1 1 366.461 4.091 20 30 FIEDMM CC(C)(C)C[N@@H+](CCC#N)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000729467886 1102794619 /nfs/dbraw/zinc/79/46/19/1102794619.db2.gz HLRQKKPDBCTWDH-UHFFFAOYSA-N -1 1 366.461 4.091 20 30 FIEDMM N#CCCC[C@H](NC(=O)c1ccc(Br)c([O-])c1)c1ccccc1 ZINC000487510174 1108554489 /nfs/dbraw/zinc/55/44/89/1108554489.db2.gz AZKUUTGNCDPYRD-INIZCTEOSA-N -1 1 373.250 4.320 20 30 FIEDMM N#Cc1ccc(C(=O)N2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1[O-] ZINC000552796650 1111815710 /nfs/dbraw/zinc/81/57/10/1111815710.db2.gz HVZBAGSFCAWASZ-MRXNPFEDSA-N -1 1 374.362 4.302 20 30 FIEDMM N#Cc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)c(Cl)c1 ZINC000486551509 1113593371 /nfs/dbraw/zinc/59/33/71/1113593371.db2.gz XMHGLQIFEVNXAC-UHFFFAOYSA-N -1 1 361.637 4.319 20 30 FIEDMM CN1CCc2ccc(C([O-])=C(C#N)c3nc(-c4ccccc4)cs3)cc21 ZINC000570359646 1114056885 /nfs/dbraw/zinc/05/68/85/1114056885.db2.gz IEHVCAFJDMHCCL-QGZVFWFLSA-N -1 1 359.454 4.292 20 30 FIEDMM N#Cc1cc([O-])cc(C(=O)Nc2cccc(-c3ccc(F)cc3Cl)n2)c1 ZINC000590408405 1114928133 /nfs/dbraw/zinc/92/81/33/1114928133.db2.gz WTYLOWRKAMHMKW-UHFFFAOYSA-N -1 1 367.767 4.371 20 30 FIEDMM Cc1ccc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1 ZINC000046707011 1115493322 /nfs/dbraw/zinc/49/33/22/1115493322.db2.gz INGXTQRZKQNRPA-AWEZNQCLSA-N -1 1 363.442 4.074 20 30 FIEDMM CC(C)c1nc(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)cs1 ZINC000171146173 1115843336 /nfs/dbraw/zinc/84/33/36/1115843336.db2.gz RBUNSQNMVGTKQF-OAHLLOKOSA-N -1 1 363.442 4.381 20 30 FIEDMM CCCc1ncc(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)s1 ZINC000173970455 1116102441 /nfs/dbraw/zinc/10/24/41/1116102441.db2.gz GHHXXQBHEKOHSG-OAHLLOKOSA-N -1 1 363.442 4.210 20 30 FIEDMM N#Cc1cc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)ccc1F ZINC000609107000 1117787124 /nfs/dbraw/zinc/78/71/24/1117787124.db2.gz SEIYLMPNLUWPOQ-UHFFFAOYSA-N -1 1 352.390 4.165 20 30 FIEDMM N#Cc1ccc(C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)cc1[O-] ZINC000443324032 1118000341 /nfs/dbraw/zinc/00/03/41/1118000341.db2.gz XELUZMGFKYREDW-UHFFFAOYSA-N -1 1 361.228 4.375 20 30 FIEDMM N#CC(=C([O-])c1ccccc1OC(F)(F)F)c1cc(C(F)(F)F)ccn1 ZINC000464421213 1118558064 /nfs/dbraw/zinc/55/80/64/1118558064.db2.gz LBJCZQDIGHGGHG-LLVKDONJSA-N -1 1 374.240 4.489 20 30 FIEDMM CC(C)(C)[C@@](C)(C#N)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000464419979 1118558201 /nfs/dbraw/zinc/55/82/01/1118558201.db2.gz OMSITPYIAFLERK-CYBMUJFWSA-N -1 1 369.701 4.253 20 30 FIEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc3c(c2)NC(=O)CCS3)n1 ZINC000177762366 1119350407 /nfs/dbraw/zinc/35/04/07/1119350407.db2.gz WQLVCVASJWVRDB-GFCCVEGCSA-N -1 1 371.487 4.191 20 30 FIEDMM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cc(C#N)cs2)cc1 ZINC000176461145 1119432396 /nfs/dbraw/zinc/43/23/96/1119432396.db2.gz USCZVTYNLHWHDT-BLLLJJGKSA-N -1 1 351.431 4.094 20 30 FIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(C(F)(F)F)c2)cc1 ZINC000322391060 1121078515 /nfs/dbraw/zinc/07/85/15/1121078515.db2.gz MGEBLQAVIPPJHB-UHFFFAOYSA-N -1 1 360.744 4.031 20 30 FIEDMM [O-]c1c(Cl)cc(Cl)cc1/C=N\C1CCN(Cc2ccccn2)CC1 ZINC000915982795 1121363264 /nfs/dbraw/zinc/36/32/64/1121363264.db2.gz CNICKLVXHUFIHU-JJFYIABZSA-N -1 1 364.276 4.178 20 30 FIEDMM O=C(/C=C/c1cnn(-c2ccc(Br)cc2)c1)c1ccc([O-])cc1 ZINC000917143513 1122202232 /nfs/dbraw/zinc/20/22/32/1122202232.db2.gz HVQGLLFMLBTOLD-BCTAIJSYSA-N -1 1 369.218 4.237 20 30 FIEDMM N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])o1 ZINC000153642329 1122298040 /nfs/dbraw/zinc/29/80/40/1122298040.db2.gz RGQQWFJCVOWRRR-UHFFFAOYSA-N -1 1 368.776 4.342 20 30 FIEDMM CC1=NN(c2ccc(C([O-])=C(C#N)c3nc(C(C)C)cs3)cc2)CC1 ZINC000080459728 1123966656 /nfs/dbraw/zinc/96/66/56/1123966656.db2.gz UUIFXDZWUTVTML-INIZCTEOSA-N -1 1 352.463 4.343 20 30 FIEDMM N#Cc1c(F)cccc1Oc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000301451524 1124232188 /nfs/dbraw/zinc/23/21/88/1124232188.db2.gz XMRKIFRTTGOETE-UHFFFAOYSA-N -1 1 368.389 4.290 20 30 FIEDMM C[C@@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000108251920 1124270211 /nfs/dbraw/zinc/27/02/11/1124270211.db2.gz JLBCCUDHNQQCRB-AWEZNQCLSA-N -1 1 372.515 4.228 20 30 FIEDMM N#Cc1ccncc1C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436704982 568395717 /nfs/dbraw/zinc/39/57/17/568395717.db2.gz LUOIVAJSAOLLHE-UHFFFAOYSA-N -1 1 372.409 4.188 20 30 FIEDMM