smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1ccc(Oc2c(F)c(F)nc(F)c2F)cc1F ZINC000127668083 187324676 /nfs/dbraw/zinc/32/46/76/187324676.db2.gz XHZLNPMSXAFWSX-UHFFFAOYSA-N 0 0 286.159 3.441 10 30 CGEERN N#Cc1ccc(N2CC[C@@]3(O)CCCC[C@@H]3C2)cc1Cl ZINC000128351899 136387539 /nfs/dbraw/zinc/38/75/39/136387539.db2.gz ARFOFYSPAHMUCI-CJNGLKHVSA-N 0 0 290.794 3.343 10 30 CGEERN Cc1nnc(C)n1/N=C/c1cc2cc(C)ccc2nc1Cl ZINC000002630860 282313028 /nfs/dbraw/zinc/31/30/28/282313028.db2.gz WGYWGZQFTNUBBV-CAOOACKPSA-N 0 0 299.765 3.287 10 30 CGEERN C#Cc1cccc(Nc2ncnc3ccc([N+](=O)[O-])cc32)c1 ZINC000003826863 344859597 /nfs/dbraw/zinc/85/95/97/344859597.db2.gz DOAMPDMHUHJVAU-UHFFFAOYSA-N 0 0 290.282 3.263 10 30 CGEERN CC(N=NC(=S)N(C)C1CCCCC1)c1ccccn1 ZINC000027309717 344909183 /nfs/dbraw/zinc/90/91/83/344909183.db2.gz ZTTYYRXZMKKBMI-SFQUDFHCSA-N 0 0 290.436 3.356 10 30 CGEERN N#Cc1cc(F)c(Br)cc1Br ZINC000039082875 344957312 /nfs/dbraw/zinc/95/73/12/344957312.db2.gz OGYYQLDZGMCHFE-UHFFFAOYSA-N 0 0 278.906 3.222 10 30 CGEERN CCCCCCCCCCC[C@@H](O)[C@H]1O[C@H]1C(=O)N(C)C ZINC000043397042 344997818 /nfs/dbraw/zinc/99/78/18/344997818.db2.gz YFJDMVBPXGJWBW-BZUAXINKSA-N 0 0 299.455 3.124 10 30 CGEERN C[C@@H](C#N)Nc1c(F)cc(F)cc1Br ZINC000043514803 345000409 /nfs/dbraw/zinc/00/04/09/345000409.db2.gz OVBHSDCPXKCCDT-YFKPBYRVSA-N 0 0 261.069 3.051 10 30 CGEERN CC[C@H](C#N)C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000044825973 345017071 /nfs/dbraw/zinc/01/70/71/345017071.db2.gz DYBXWZYGRIHNCA-VHSXEESVSA-N 0 0 295.180 3.176 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NCc1ccc(Br)s1 ZINC000054825857 345139206 /nfs/dbraw/zinc/13/92/06/345139206.db2.gz FDSNRSXJNRTDIB-WCBMZHEXSA-N 0 0 285.210 3.292 10 30 CGEERN N#Cc1cc(NCC[C@@H]2CCCO2)nc2ccccc12 ZINC000070978745 345400211 /nfs/dbraw/zinc/40/02/11/345400211.db2.gz WTNXCALKTAKLHC-ZDUSSCGKSA-N 0 0 267.332 3.087 10 30 CGEERN C=CCC(=O)Nc1ccc(C)c(Br)c1 ZINC000070994296 345401140 /nfs/dbraw/zinc/40/11/40/345401140.db2.gz JOCORPLTCUFQTC-UHFFFAOYSA-N 0 0 254.127 3.272 10 30 CGEERN C[C@@H](CO)Sc1cc(C#N)c2cc(Cl)ccc2n1 ZINC000092658989 345850606 /nfs/dbraw/zinc/85/06/06/345850606.db2.gz LYIAOXOSTTZLER-QMMMGPOBSA-N 0 0 278.764 3.233 10 30 CGEERN O/N=C1/C[C@@H]2CCCC[C@@H]2C[C@]1(O)c1ccccc1 ZINC000105362023 345927610 /nfs/dbraw/zinc/92/76/10/345927610.db2.gz KMELCHREZIDTNB-ZEGCTTJMSA-N 0 0 259.349 3.305 10 30 CGEERN C=C1C[C@H](Cc2ccc(-c3ccccc3)cc2)NC1=O ZINC000115615680 345972940 /nfs/dbraw/zinc/97/29/40/345972940.db2.gz HCQPGQBTYXKWKB-QGZVFWFLSA-N 0 0 263.340 3.341 10 30 CGEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)C(C)C ZINC000129087874 346046606 /nfs/dbraw/zinc/04/66/06/346046606.db2.gz GBHHVLRHKFFKDE-XJKSGUPXSA-N 0 0 288.391 3.122 10 30 CGEERN C=CCNc1nc(NCCC)nc2c(C)csc21 ZINC000140947563 346106987 /nfs/dbraw/zinc/10/69/87/346106987.db2.gz CHWJEYDVHLSUBP-UHFFFAOYSA-N 0 0 262.382 3.420 10 30 CGEERN CC(=O)c1ccccc1NC1=CC(=O)c2ccccc2C1=O ZINC000141149009 346107096 /nfs/dbraw/zinc/10/70/96/346107096.db2.gz QTSUFKZPBMIAHT-UHFFFAOYSA-N 0 0 291.306 3.264 10 30 CGEERN CC#CCC(=O)c1cc(C)cc(Br)c1 ZINC000167887565 346189739 /nfs/dbraw/zinc/18/97/39/346189739.db2.gz UVPFIWFBOSAYRB-UHFFFAOYSA-N 0 0 251.123 3.354 10 30 CGEERN C=C(Br)CNc1cc(Cl)ccc1N ZINC000168189694 346189796 /nfs/dbraw/zinc/18/97/96/346189796.db2.gz JOEUOYVKRJEZOE-UHFFFAOYSA-N 0 0 261.550 3.243 10 30 CGEERN C[Si](C)(C)CCOc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000215636666 346289060 /nfs/dbraw/zinc/28/90/60/346289060.db2.gz IOWBPXZGCAGHJO-UHFFFAOYSA-N 0 0 264.357 3.183 10 30 CGEERN C#CCNc1ccc(F)c(NC(=O)OC(C)(C)C)c1 ZINC000227596977 346310141 /nfs/dbraw/zinc/31/01/41/346310141.db2.gz VDORMVWJNYFGTO-UHFFFAOYSA-N 0 0 264.300 3.218 10 30 CGEERN C=C(Cl)CNc1nc(Cl)ncc1Br ZINC000229315609 346317069 /nfs/dbraw/zinc/31/70/69/346317069.db2.gz YZCMTDYORWABAT-UHFFFAOYSA-N 0 0 282.956 3.057 10 30 CGEERN C#C[C@H](CCC)Nc1cncc(Br)c1 ZINC000230021279 346319341 /nfs/dbraw/zinc/31/93/41/346319341.db2.gz JUPXRTKEKHPVGQ-SNVBAGLBSA-N 0 0 253.143 3.058 10 30 CGEERN N#Cc1cc(F)c(Br)c(Br)c1F ZINC000306581123 346455341 /nfs/dbraw/zinc/45/53/41/346455341.db2.gz PKPJZMFPHQEQBQ-UHFFFAOYSA-N 0 0 296.896 3.361 10 30 CGEERN CCc1ccc([C@H](C)Nc2ncncc2C#N)cc1 ZINC000311428883 346472756 /nfs/dbraw/zinc/47/27/56/346472756.db2.gz QGMMTTQWSKFZAW-NSHDSACASA-N 0 0 252.321 3.084 10 30 CGEERN N#Cc1cc(Cl)ccc1N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160666574 136551404 /nfs/dbraw/zinc/55/14/04/136551404.db2.gz ZZHUZOURHNYMGG-CJNGLKHVSA-N 0 0 290.794 3.343 10 30 CGEERN N#Cc1cc(C(F)(F)F)c(C(F)(F)F)cc1CO ZINC000514260959 346635839 /nfs/dbraw/zinc/63/58/39/346635839.db2.gz ZXSIVVYDEROFKK-UHFFFAOYSA-N 0 0 269.144 3.088 10 30 CGEERN N#Cc1cc(C=O)c(C(F)(F)F)c(C(F)(F)F)c1 ZINC000514279335 346638046 /nfs/dbraw/zinc/63/80/46/346638046.db2.gz ANLUQCKICDWIAD-UHFFFAOYSA-N 0 0 267.128 3.408 10 30 CGEERN CC[Si](C)(CC)/C(=C\COCCC#N)COCCC#N ZINC000584649584 346704580 /nfs/dbraw/zinc/70/45/80/346704580.db2.gz CFOXJVPFZZDTFJ-NVNXTCNLSA-N 0 0 294.471 3.431 10 30 CGEERN CCC#CC[C@H](C)C(=O)CP(=O)(OCC)OCC ZINC000584652569 346704910 /nfs/dbraw/zinc/70/49/10/346704910.db2.gz RZLBODFYZIIKSR-LBPRGKRZSA-N 0 0 274.297 3.261 10 30 CGEERN CCC[C@@](C#N)(c1cccc(OC)c1)[C@@H](C)C(=O)OCC ZINC000584596944 346687780 /nfs/dbraw/zinc/68/77/80/346687780.db2.gz UMZORKNUMXQUOD-GUYCJALGSA-N 0 0 289.375 3.456 10 30 CGEERN Cc1cccc(Oc2ccc(/C=N/NC(N)=S)cc2)c1C ZINC000584605591 346690984 /nfs/dbraw/zinc/69/09/84/346690984.db2.gz WYHIYAFGFMWMHG-VCHYOVAHSA-N 0 0 299.399 3.263 10 30 CGEERN COc1cc(C#CSC(F)(F)F)cc(OC)c1 ZINC000584608489 346691919 /nfs/dbraw/zinc/69/19/19/346691919.db2.gz ZXJMWPGJBZINKO-UHFFFAOYSA-N 0 0 262.252 3.266 10 30 CGEERN CC1(C)CC(=O)C=C(OCC(=O)c2ccccc2)C1 ZINC000584624656 346696221 /nfs/dbraw/zinc/69/62/21/346696221.db2.gz CHQOLTVUNPQSRS-UHFFFAOYSA-N 0 0 258.317 3.159 10 30 CGEERN N#C[C@H](c1cccnc1)[C@H](CCO)c1c(F)cccc1F ZINC000584633655 346700271 /nfs/dbraw/zinc/70/02/71/346700271.db2.gz YQVODFBLVMAOTQ-QWHCGFSZSA-N 0 0 288.297 3.133 10 30 CGEERN C[Si](C)(C)C#Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000584635936 346700804 /nfs/dbraw/zinc/70/08/04/346700804.db2.gz RMARUFQBROONID-UHFFFAOYSA-N 0 0 253.761 3.477 10 30 CGEERN N#Cc1c(Br)cccc1N[C@@H]1CCC[C@@H](O)C1 ZINC000589561964 346800435 /nfs/dbraw/zinc/80/04/35/346800435.db2.gz QFJSVJFZJNOEEQ-NXEZZACHSA-N 0 0 295.180 3.036 10 30 CGEERN Cc1ccc(CCC(=O)N[C@@H]2CCC[C@@H]2C#N)cc1Cl ZINC000610497146 348385098 /nfs/dbraw/zinc/38/50/98/348385098.db2.gz QFZLOMSOYVLATF-UKRRQHHQSA-N 0 0 290.794 3.390 10 30 CGEERN N#Cc1cc(C(F)(F)F)ccc1N[C@H]1CCC[C@@H](O)C1 ZINC000610715056 348398208 /nfs/dbraw/zinc/39/82/08/348398208.db2.gz JRLNJEGTSHJGNC-NWDGAFQWSA-N 0 0 284.281 3.292 10 30 CGEERN N#Cc1cc(N[C@@H]2CCC[C@H](O)C2)ccc1C(F)(F)F ZINC000613268850 348582670 /nfs/dbraw/zinc/58/26/70/348582670.db2.gz LJBSRRRWEXKJJL-PWSUYJOCSA-N 0 0 284.281 3.292 10 30 CGEERN N#Cc1cc(N[C@H]2CCC[C@@H](O)C2)ccc1C(F)(F)F ZINC000613268842 348582777 /nfs/dbraw/zinc/58/27/77/348582777.db2.gz LJBSRRRWEXKJJL-CMPLNLGQSA-N 0 0 284.281 3.292 10 30 CGEERN CCOC(=O)N1CCCC[C@H](c2ccccc2C#N)C1 ZINC000616601448 348842457 /nfs/dbraw/zinc/84/24/57/348842457.db2.gz CPMFBNYDMKESTB-AWEZNQCLSA-N 0 0 272.348 3.284 10 30 CGEERN COc1ccccc1-c1snc(Cl)c1C#N ZINC000090555256 180003456 /nfs/dbraw/zinc/00/34/56/180003456.db2.gz ZUQDPDFADNOSIQ-UHFFFAOYSA-N 0 0 250.710 3.344 10 30 CGEERN CO/C(Cl)=N/Nc1ccc(Br)cc1 ZINC000108820009 186232143 /nfs/dbraw/zinc/23/21/43/186232143.db2.gz FTSGRMMMBFOZRH-XYOKQWHBSA-N 0 0 263.522 3.017 10 30 CGEERN C[C@@H](Nc1ccc(C#N)cc1Br)[C@H]1CCCO1 ZINC000123948462 187115940 /nfs/dbraw/zinc/11/59/40/187115940.db2.gz PUXUYWLFBFKZLE-NOZJJQNGSA-N 0 0 295.180 3.300 10 30 CGEERN C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1ccc(C#N)cc1 ZINC000117564023 138366304 /nfs/dbraw/zinc/36/63/04/138366304.db2.gz URXIQBXSZDIMDV-ZBEGNZNMSA-N 0 0 278.311 3.061 10 30 CGEERN N#Cc1cc(N[C@@H]2COc3ccccc32)ccc1[N+](=O)[O-] ZINC000127821243 138390604 /nfs/dbraw/zinc/39/06/04/138390604.db2.gz IMCMAEPGICGIMW-CYBMUJFWSA-N 0 0 281.271 3.012 10 30 CGEERN N#Cc1nc2ccccc2cc1N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000334055606 283252997 /nfs/dbraw/zinc/25/29/97/283252997.db2.gz UYWOMNRTZUOFAW-JCKWVBRZSA-N 0 0 293.370 3.476 10 30 CGEERN CC1(C)CCCCN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)C1 ZINC000408103354 138605091 /nfs/dbraw/zinc/60/50/91/138605091.db2.gz AEJNNMSMRFOMAJ-UHFFFAOYSA-N 0 0 288.351 3.065 10 30 CGEERN N#Cc1ccc(NCCc2nc3cc(F)ccc3[nH]2)c(F)c1 ZINC000301730987 201163678 /nfs/dbraw/zinc/16/36/78/201163678.db2.gz SJAPRFUHKSXRFM-UHFFFAOYSA-N 0 0 298.296 3.367 10 30 CGEERN Cc1cc(NCc2ccc(Cl)nc2)c(C#N)c(C)n1 ZINC000301771325 201186601 /nfs/dbraw/zinc/18/66/01/201186601.db2.gz JGEGBTNHRZDNKX-UHFFFAOYSA-N 0 0 272.739 3.231 10 30 CGEERN C=C(C)[C@H](NC(=O)C[C@H](O)C(C)C)c1ccc(F)c(F)c1 ZINC000184841510 189397394 /nfs/dbraw/zinc/39/73/94/189397394.db2.gz VVZOTHRHKJIUFT-HOCLYGCPSA-N 0 0 297.345 3.105 10 30 CGEERN N#Cc1cccc(N2CCC[C@@H]2COc2ccccc2)n1 ZINC000301859619 201235331 /nfs/dbraw/zinc/23/53/31/201235331.db2.gz STQJXDSKGBPHNQ-OAHLLOKOSA-N 0 0 279.343 3.001 10 30 CGEERN C=C(C)C[C@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000185009107 189401473 /nfs/dbraw/zinc/40/14/73/189401473.db2.gz ZOJLRVCDDDBOPQ-JSGCOSHPSA-N 0 0 259.349 3.229 10 30 CGEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](CC(=O)OC)c1ccccc1 ZINC000185108208 189403887 /nfs/dbraw/zinc/40/38/87/189403887.db2.gz KIPCDSXDEJCBLY-HIFRSBDPSA-N 0 0 289.375 3.009 10 30 CGEERN C=CCCC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000187023139 189456729 /nfs/dbraw/zinc/45/67/29/189456729.db2.gz KBHFCVHYJPNSDE-LBPRGKRZSA-N 0 0 250.367 3.081 10 30 CGEERN C#Cc1cccc(N(C(=O)[C@@H]2CCCO[C@H]2C)C(C)C)c1 ZINC000191772657 189604633 /nfs/dbraw/zinc/60/46/33/189604633.db2.gz QSHIMLMIWHVKON-WMLDXEAASA-N 0 0 285.387 3.224 10 30 CGEERN COc1cccc(/C=N\c2cccc([N+](=O)[O-])c2)c1 ZINC000000524390 368383102 /nfs/dbraw/zinc/38/31/02/368383102.db2.gz HBGRHEBHLMZEQU-GDNBJRDFSA-N 0 0 256.261 3.354 10 30 CGEERN C[C@@H]1CCC[C@H](C)N1/N=C/c1ccc([N+](=O)[O-])cc1 ZINC000012616250 368622970 /nfs/dbraw/zinc/62/29/70/368622970.db2.gz YGICDMFMXUOUDB-DGOSSHJLSA-N 0 0 261.325 3.192 10 30 CGEERN C=CCOc1cc(C=O)cc(OCC=C)c1Br ZINC000015043177 368689758 /nfs/dbraw/zinc/68/97/58/368689758.db2.gz FAFGQBFMXDDPSY-UHFFFAOYSA-N 0 0 297.148 3.391 10 30 CGEERN CCc1ccc([C@H]2CCCCN2c2cnc(C#N)cn2)o1 ZINC000125473205 370937612 /nfs/dbraw/zinc/93/76/12/370937612.db2.gz LXJUGQQJZLCCMC-CQSZACIVSA-N 0 0 282.347 3.235 10 30 CGEERN N#CCc1cccc(C(=O)c2ccc(Cl)cc2)c1N ZINC000026387311 368858194 /nfs/dbraw/zinc/85/81/94/368858194.db2.gz VFURHKOBPLJBLI-UHFFFAOYSA-N 0 0 270.719 3.219 10 30 CGEERN C=C1C[C@H](CCCCCCc2cccc(O)c2O)OC1=O ZINC000027713608 368875808 /nfs/dbraw/zinc/87/58/08/368875808.db2.gz ARPJSJWDNCNSCU-AWEZNQCLSA-N 0 0 290.359 3.463 10 30 CGEERN C#Cc1c2cc(O)ccc2nc2c1COc1cc(O)ccc1-2 ZINC000028949791 368889914 /nfs/dbraw/zinc/88/99/14/368889914.db2.gz NFDYBNVVFHAKIV-UHFFFAOYSA-N 0 0 289.290 3.187 10 30 in-vivo CGEERN C=C1C(=O)c2ccccc2O[C@@H]1c1ccc(C#N)cc1 ZINC000026017091 368854376 /nfs/dbraw/zinc/85/43/76/368854376.db2.gz LZVJLQREDVKWAU-KRWDZBQOSA-N 0 0 261.280 3.431 10 30 CGEERN O=C(/C=C\c1ccc2c(c1)OCO2)c1cccs1 ZINC000033926586 368971092 /nfs/dbraw/zinc/97/10/92/368971092.db2.gz KHQKCSLSMCULSA-HYXAFXHYSA-N 0 0 258.298 3.373 10 30 CGEERN Cc1oc(-c2ccc(Br)cc2)nc1CC#N ZINC000041416637 369184008 /nfs/dbraw/zinc/18/40/08/369184008.db2.gz YQKQCAFUXMWRJI-UHFFFAOYSA-N 0 0 277.121 3.479 10 30 CGEERN N#CCc1ccc(OCC(=O)c2ccccc2)cc1 ZINC000047820934 369327581 /nfs/dbraw/zinc/32/75/81/369327581.db2.gz XNVCFGAOJMRVTF-UHFFFAOYSA-N 0 0 251.285 3.014 10 30 CGEERN C[C@@H](Nc1snc(Cl)c1C#N)c1ccco1 ZINC000048546179 369358274 /nfs/dbraw/zinc/35/82/74/369358274.db2.gz PIWSPLPFQJJVFL-ZCFIWIBFSA-N 0 0 253.714 3.434 10 30 CGEERN O=C(/C=C\N(O)c1ccccc1)c1ccc(F)cc1 ZINC000049853456 369418110 /nfs/dbraw/zinc/41/81/10/369418110.db2.gz WEWXVHLHMGVBBL-KHPPLWFESA-N 0 0 257.264 3.418 10 30 CGEERN C=CCOc1ccc(CN(C)C(=O)C(C)(C)C)cc1 ZINC000049939309 369424204 /nfs/dbraw/zinc/42/42/04/369424204.db2.gz SNPKPOXJGXTPGJ-UHFFFAOYSA-N 0 0 261.365 3.256 10 30 CGEERN C[C@H](Nc1nccnc1C#N)c1ccccc1Cl ZINC000054378019 369501818 /nfs/dbraw/zinc/50/18/18/369501818.db2.gz FYEREZPMVKKCJL-VIFPVBQESA-N 0 0 258.712 3.175 10 30 CGEERN COc1ccc(CN[C@H]2CCC[C@@H]2C#N)cc1OC(F)F ZINC000061891024 369611196 /nfs/dbraw/zinc/61/11/96/369611196.db2.gz YHWJNWSBHFYQOE-NEPJUHHUSA-N 0 0 296.317 3.078 10 30 CGEERN COc1ccc(Cl)cc1CN[C@H]1CCC[C@@H]1C#N ZINC000061892711 369612054 /nfs/dbraw/zinc/61/20/54/369612054.db2.gz YWVZUZCMRAPZHO-MFKMUULPSA-N 0 0 264.756 3.130 10 30 CGEERN Fc1cccc(Cl)c1C[C@@H]1COCC[C@@H]1S ZINC000095077084 370170744 /nfs/dbraw/zinc/17/07/44/370170744.db2.gz MQFLAMQLXUSITE-PELKAZGASA-N 0 0 260.761 3.357 10 30 CGEERN C=CCCC(=O)NCCc1c[nH]c2cccc(C)c12 ZINC000103127877 370318698 /nfs/dbraw/zinc/31/86/98/370318698.db2.gz JOFYNUOIGLZUBM-UHFFFAOYSA-N 0 0 256.349 3.101 10 30 CGEERN CCOC(=O)[C@@H](Nc1ccccc1)c1ccc(C#N)cc1 ZINC000098178827 370267790 /nfs/dbraw/zinc/26/77/90/370267790.db2.gz KTCITFJPJJKVNL-INIZCTEOSA-N 0 0 280.327 3.275 10 30 CGEERN CCCCCCCCCCCCOC(CO)CO ZINC000100034425 370270181 /nfs/dbraw/zinc/27/01/81/370270181.db2.gz JQEXFBVEZTYNAW-UHFFFAOYSA-N 0 0 260.418 3.277 10 30 CGEERN C=CCCC(=O)Nc1scc(C)c1C(=O)OCC ZINC000102213248 370300131 /nfs/dbraw/zinc/30/01/31/370300131.db2.gz NVEFFEOZJMEEPM-UHFFFAOYSA-N 0 0 267.350 3.138 10 30 CGEERN CC(F)(F)OCC(F)(F)C(F)(F)C(F)(F)F ZINC000103538368 370332339 /nfs/dbraw/zinc/33/23/39/370332339.db2.gz ZAUXRLVUBYXUQJ-UHFFFAOYSA-N 0 0 264.087 3.449 10 30 CGEERN N#Cc1cc(F)ccc1NC(=O)c1ccc2cc[nH]c2c1 ZINC000135153420 371395541 /nfs/dbraw/zinc/39/55/41/371395541.db2.gz GLVUHRWMRSZKHZ-UHFFFAOYSA-N 0 0 279.274 3.431 10 30 CGEERN C=C(C)COc1cccc(NC(=O)[C@H]2CC[C@@H](C)O2)c1 ZINC000151895318 371650607 /nfs/dbraw/zinc/65/06/07/371650607.db2.gz HHDJHRPAXYRELF-IUODEOHRSA-N 0 0 275.348 3.148 10 30 CGEERN N#Cc1ccc(CNC(=O)[C@H]2C[C@H]2C2CCCCC2)cc1 ZINC000172748663 373025973 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PDPQQEYQVLMDQC-UHFFFAOYSA-N 0 0 257.211 3.026 10 30 CGEERN CCc1cc(I)cc(CC#N)c1C ZINC000575706100 377977741 /nfs/dbraw/zinc/97/77/41/377977741.db2.gz PDSZBXZGPXUWKK-UHFFFAOYSA-N 0 0 285.128 3.228 10 30 CGEERN CCc1c(CC#N)ccc([N+](=O)[O-])c1OC(F)(F)F ZINC000575706586 377978479 /nfs/dbraw/zinc/97/84/79/377978479.db2.gz RCXONTIUYLXUTK-UHFFFAOYSA-N 0 0 274.198 3.122 10 30 CGEERN O=C1C=C2c3cc(Cl)c(O)cc3C[C@@]23CC[C@@H]1C3 ZINC000066346700 296313647 /nfs/dbraw/zinc/31/36/47/296313647.db2.gz ZIOXDCFIRHKCBM-GLEZIHRCSA-N 0 0 260.720 3.354 10 30 CGEERN O=C(C[C@H]1CCCCNC1=O)NCCOC1CCCCC1 ZINC000329231903 227369035 /nfs/dbraw/zinc/36/90/35/227369035.db2.gz FNZPFKMHVKMGPE-CYBMUJFWSA-N 0 0 296.411 3.439 10 30 CGEERN O=C(NC[C@@H]1CCCC(F)(F)C1)[C@@H]1CCCC(=O)N1 ZINC000328660638 542444312 /nfs/dbraw/zinc/44/43/12/542444312.db2.gz VSAOUYQJPHFYIW-ZJUUUORDSA-N 0 0 274.311 3.277 10 30 CGEERN C[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000329307514 542445980 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ZINC000575601826 393201914 /nfs/dbraw/zinc/20/19/14/393201914.db2.gz FAXQFYZBZKMVRT-UHFFFAOYSA-N 0 0 282.185 3.344 10 30 CGEERN C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H]1C1CCC1 ZINC000102878034 165416862 /nfs/dbraw/zinc/41/68/62/165416862.db2.gz LJGDSSZAHMEDCQ-CZUORRHYSA-N 0 0 298.386 3.117 10 30 CGEERN Cc1ccc(NC(=O)C(O)=CC(=O)c2ccccc2)cc1 ZINC000005322775 170085572 /nfs/dbraw/zinc/08/55/72/170085572.db2.gz SUBYONHYQFEZQK-LFIBNONCSA-N 0 0 281.311 3.258 10 30 CGEERN COc1ccc([C@H](C#N)C(=O)c2ccccc2)cc1 ZINC000006457801 170202932 /nfs/dbraw/zinc/20/29/32/170202932.db2.gz HZJOHONJTJFMRU-HNNXBMFYSA-N 0 0 251.285 3.185 10 30 CGEERN CCOc1cccc(/C=N/N2[C@@H](C)CCC[C@@H]2C)c1O ZINC000006539392 170211723 /nfs/dbraw/zinc/21/17/23/170211723.db2.gz FTEVQEDNQWHMKG-VYBPFTPOSA-N 0 0 276.380 3.388 10 30 CGEERN NC(=CC(=O)c1ccc(Br)cc1)C(F)(F)F ZINC000006622507 170219737 /nfs/dbraw/zinc/21/97/37/170219737.db2.gz HHZZBBNZNULOIU-WEVVVXLNSA-N 0 0 294.070 3.037 10 30 CGEERN O=c1[nH]ncc(NN=Cc2cccc3ccccc23)c1Cl ZINC000007030791 170262709 /nfs/dbraw/zinc/26/27/09/170262709.db2.gz BBAWJYKJAGHWMV-CAOOACKPSA-N 0 0 298.733 3.023 10 30 CGEERN COc1ccc(C=NNc2ccc(C)cc2)cc1O ZINC000007931075 170308700 /nfs/dbraw/zinc/30/87/00/170308700.db2.gz DLPYIBHZWPTXIT-MHWRWJLKSA-N 0 0 256.305 3.155 10 30 CGEERN CC1CCC(Nc2ccc([N+](=O)[O-])cc2C#N)CC1 ZINC000007983310 170311710 /nfs/dbraw/zinc/31/17/10/170311710.db2.gz SZCOVUHIKHJPNL-UHFFFAOYSA-N 0 0 259.309 3.457 10 30 CGEERN COc1cccc(OC)c1OCc1cc(C#N)ccc1F ZINC000019477054 170807931 /nfs/dbraw/zinc/80/79/31/170807931.db2.gz KSOJSUXRFXVKTL-UHFFFAOYSA-N 0 0 287.290 3.294 10 30 CGEERN CC(C)N[C@H](C#N)c1ccc(Br)cc1 ZINC000020176229 171042538 /nfs/dbraw/zinc/04/25/38/171042538.db2.gz CJPLVRDPOAUVTK-LLVKDONJSA-N 0 0 253.143 3.012 10 30 CGEERN N#Cc1ccc(C(=O)Nc2cc(Cl)ccc2N)cc1 ZINC000022210120 171373035 /nfs/dbraw/zinc/37/30/35/171373035.db2.gz QELNJZCOIFBXOZ-UHFFFAOYSA-N 0 0 271.707 3.046 10 30 CGEERN CCCCCOc1ccc(C=Nn2cn[nH]c2=S)cc1 ZINC000033683549 171817979 /nfs/dbraw/zinc/81/79/79/171817979.db2.gz QZPVVGNODFNZNL-YBEGLDIGSA-N 0 0 290.392 3.392 10 30 CGEERN N#Cc1cccnc1Sc1ccc([N+](=O)[O-])cc1 ZINC000035286512 172104363 /nfs/dbraw/zinc/10/43/63/172104363.db2.gz JWAXXLOIYUAQIE-UHFFFAOYSA-N 0 0 257.274 3.013 10 30 CGEERN Cc1n[nH]c(=S)n1N=Cc1ccccc1OCC(C)C ZINC000035441280 172203216 /nfs/dbraw/zinc/20/32/16/172203216.db2.gz ODIASZFLRBDOMR-NVNXTCNLSA-N 0 0 290.392 3.166 10 30 CGEERN C[C@@H](O)c1ccc(Oc2cccc(C#N)c2)c([N+](=O)[O-])c1 ZINC000035631951 172314491 /nfs/dbraw/zinc/31/44/91/172314491.db2.gz GPWOJDXEHMPXBF-SNVBAGLBSA-N 0 0 284.271 3.312 10 30 CGEERN COc1ccccc1[C@@H](C#N)C(=O)C1CCCCC1 ZINC000037346584 173143866 /nfs/dbraw/zinc/14/38/66/173143866.db2.gz HLDAGFGXFQMEPF-CQSZACIVSA-N 0 0 257.333 3.452 10 30 CGEERN N#Cc1ccc(OCc2ccc(Cl)c(N)c2)cc1 ZINC000037402699 173179199 /nfs/dbraw/zinc/17/91/99/173179199.db2.gz QBJALFMWMUXKBI-UHFFFAOYSA-N 0 0 258.708 3.373 10 30 CGEERN COC(C)(C)C[C@](C)(C#N)Nc1cccc(F)c1 ZINC000037936914 173877401 /nfs/dbraw/zinc/87/74/01/173877401.db2.gz MJTBBQWBBTZZIP-CQSZACIVSA-N 0 0 250.317 3.335 10 30 CGEERN N#C[C@@H](NCC(F)(F)F)c1c(F)cccc1Cl ZINC000037971073 173921885 /nfs/dbraw/zinc/92/18/85/173921885.db2.gz YKBIDGAGEGMCFQ-MRVPVSSYSA-N 0 0 266.625 3.196 10 30 CGEERN N#C[C@H](NCC(F)(F)F)c1ccccc1Br ZINC000037971159 173922575 /nfs/dbraw/zinc/92/25/75/173922575.db2.gz OQGMOQKBFQWKFO-VIFPVBQESA-N 0 0 293.086 3.166 10 30 CGEERN CSc1cc(-c2ccc(C)cc2)oc(=O)c1C#N ZINC000038303116 174139069 /nfs/dbraw/zinc/13/90/69/174139069.db2.gz HJBWBXRSRQEPRF-UHFFFAOYSA-N 0 0 257.314 3.209 10 30 CGEERN CCC[C@H](C#N)NC(=O)Nc1cccc(Cl)c1 ZINC000040220744 174206839 /nfs/dbraw/zinc/20/68/39/174206839.db2.gz ZEMPRVYIUDFOAN-LLVKDONJSA-N 0 0 251.717 3.154 10 30 CGEERN C=CCNc1ncnc(Nc2ccc(C)cc2C)c1[N+](=O)[O-] ZINC000040598625 174349603 /nfs/dbraw/zinc/34/96/03/174349603.db2.gz PKQHCQQIUHOWEO-UHFFFAOYSA-N 0 0 299.334 3.343 10 30 CGEERN CCN(C[C@H](C)C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000042249328 174665450 /nfs/dbraw/zinc/66/54/50/174665450.db2.gz PWGFBKCTCMYMNN-SNVBAGLBSA-N 0 0 265.744 3.353 10 30 CGEERN CC[C@H](C#N)Oc1ccc(F)cc1Br ZINC000043542661 175064073 /nfs/dbraw/zinc/06/40/73/175064073.db2.gz BGGKROZSHFGVQG-MRVPVSSYSA-N 0 0 258.090 3.269 10 30 CGEERN CC(C)[C@H](C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000044825648 175259114 /nfs/dbraw/zinc/25/91/14/175259114.db2.gz YDQNLRBCFWUVAT-GWCFXTLKSA-N 0 0 264.756 3.313 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(Cl)cc1 ZINC000061889309 175657070 /nfs/dbraw/zinc/65/70/70/175657070.db2.gz MGYDKGHFGQGSEU-JOYOIKCWSA-N 0 0 263.728 3.154 10 30 CGEERN Cc1cc(-c2cc(-c3ccn(C)c3)nc(N)c2C#N)oc1C ZINC000067805989 175794185 /nfs/dbraw/zinc/79/41/85/175794185.db2.gz WXSLPTPTYWNMRJ-UHFFFAOYSA-N 0 0 292.342 3.418 10 30 CGEERN N#Cc1cc(-c2ccccc2)n(Cc2ccccc2)n1 ZINC000076843077 177117182 /nfs/dbraw/zinc/11/71/82/177117182.db2.gz FIDIPGBTIBXWJT-UHFFFAOYSA-N 0 0 259.312 3.470 10 30 CGEERN COc1ccc([C@H](C)Nc2cccc(C#N)n2)cc1OC ZINC000080117931 177612551 /nfs/dbraw/zinc/61/25/51/177612551.db2.gz NGUKFVRRDRANQE-NSHDSACASA-N 0 0 283.331 3.144 10 30 CGEERN Cc1csc2nc(C)nc(N[C@H]3CCC[C@H]3C#N)c12 ZINC000407960443 260076266 /nfs/dbraw/zinc/07/62/66/260076266.db2.gz YAJWCNWXIHNACY-QWRGUYRKSA-N 0 0 272.377 3.412 10 30 CGEERN Cc1ccc2ncnc(N[C@H]3CCC[C@@H]3C#N)c2c1 ZINC000408086202 260222677 /nfs/dbraw/zinc/22/26/77/260222677.db2.gz HDFWFLHCVFGXGD-YPMHNXCESA-N 0 0 252.321 3.042 10 30 CGEERN C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)C(C)C ZINC000068883348 260227898 /nfs/dbraw/zinc/22/78/98/260227898.db2.gz LIQOJJIQGRJQHD-CQSZACIVSA-N 0 0 285.391 3.300 10 30 CGEERN Cc1cccc2c(N[C@H]3CCC[C@H]3C#N)ncnc12 ZINC000408361590 260814053 /nfs/dbraw/zinc/81/40/53/260814053.db2.gz HTZNRXOLIFXKBI-AAEUAGOBSA-N 0 0 252.321 3.042 10 30 CGEERN N#CCCCN1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161206268 261240317 /nfs/dbraw/zinc/24/03/17/261240317.db2.gz DSZBBNONJZCZLY-ZIAGYGMSSA-N 0 0 298.308 3.117 10 30 CGEERN N#CCCN(CC1CC1)C(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000163824894 263261252 /nfs/dbraw/zinc/26/12/52/263261252.db2.gz SVJRQFATAXOERJ-CVEARBPZSA-N 0 0 274.408 3.355 10 30 CGEERN O=C(Nc1ccc(OC(F)F)nc1)N1CC[C@H]2CCC[C@@H]21 ZINC000328707693 263847466 /nfs/dbraw/zinc/84/74/66/263847466.db2.gz QDABYCXFMNGUQQ-KOLCDFICSA-N 0 0 297.305 3.103 10 30 CGEERN C=C(C)CN1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161036927 264268642 /nfs/dbraw/zinc/26/86/42/264268642.db2.gz WTHPTTYOXHTFLK-UONOGXRCSA-N 0 0 285.309 3.389 10 30 CGEERN Cc1cc(C)c(C#N)c(N2CCC[C@H](C(F)(F)F)C2)n1 ZINC000105777593 270048039 /nfs/dbraw/zinc/04/80/39/270048039.db2.gz KMKZLPRQPPQVSF-NSHDSACASA-N 0 0 283.297 3.349 10 30 CGEERN C=CCC[C@@H](Nc1cnn(-c2ncccc2C#N)c1)C1CC1 ZINC000186020499 265585559 /nfs/dbraw/zinc/58/55/59/265585559.db2.gz ZTVYJBOLILIQJT-MRXNPFEDSA-N 0 0 293.374 3.296 10 30 CGEERN N#Cc1nc(NCc2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000236067278 268324673 /nfs/dbraw/zinc/32/46/73/268324673.db2.gz ISRUUPYLLSDZLL-UHFFFAOYSA-N 0 0 288.694 3.127 10 30 CGEERN CC(=O)CC[C@H]1[C@@H](C#N)[C@@H](C(C)C)CC[C@@]1(C)OC(C)=O ZINC000215728366 277943257 /nfs/dbraw/zinc/94/32/57/277943257.db2.gz OETYWDPXRCDDQP-LTIDMASMSA-N 0 0 293.407 3.499 10 30 CGEERN C[C@@H]1[C@H](C)SCCN1c1ccc(C#N)cc1F ZINC000134771980 278094828 /nfs/dbraw/zinc/09/48/28/278094828.db2.gz OPZUQFDCBBUBEN-ZJUUUORDSA-N 0 0 250.342 3.028 10 30 CGEERN Cc1cc(N2CCC3(CCCC3)C2)c(C#N)c(C)n1 ZINC000160755089 278707978 /nfs/dbraw/zinc/70/79/78/278707978.db2.gz GIPLLWVUHHSGKH-UHFFFAOYSA-N 0 0 255.365 3.341 10 30 CGEERN Cc1cc(C#N)ccc1C(=O)N[C@@H]1CCOc2ccccc21 ZINC000178554004 280316320 /nfs/dbraw/zinc/31/63/20/280316320.db2.gz LIZUKDJSENAAHV-MRXNPFEDSA-N 0 0 292.338 3.120 10 30 CGEERN Cc1nc2c(cccc2C(=O)N[C@@H]2CCC[C@@H]2C#N)o1 ZINC000329931002 293407862 /nfs/dbraw/zinc/40/78/62/293407862.db2.gz BALOJLDIBRBZDZ-ZYHUDNBSSA-N 0 0 269.304 3.133 10 30 CGEERN N#Cc1cc(F)c(N2C[C@H]3CCC[C@H]32)cc1Br ZINC000569707842 322255107 /nfs/dbraw/zinc/25/51/07/322255107.db2.gz CKHFXSJZFYAIBA-PRHODGIISA-N 0 0 295.155 3.449 10 30 CGEERN N#CCc1cccc(C(=O)N2CCC[C@@H]2c2ccco2)c1 ZINC000172244223 329084230 /nfs/dbraw/zinc/08/42/30/329084230.db2.gz IHWLDEVEEZBYPS-OAHLLOKOSA-N 0 0 280.327 3.323 10 30 CGEERN CC(C)[C@H](C)CC(=O)N[C@H](C#N)C1CCCCC1 ZINC000176576061 329176942 /nfs/dbraw/zinc/17/69/42/329176942.db2.gz NTQBYWVCDUYMPB-TZMCWYRMSA-N 0 0 250.386 3.257 10 30 CGEERN C=CCCCC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000177212433 329181885 /nfs/dbraw/zinc/18/18/85/329181885.db2.gz DIPDIUQTTFFLNH-ZIAGYGMSSA-N 0 0 277.364 3.050 10 30 CGEERN C#CCCCC(=O)N1CC=C(c2ccccc2F)CC1 ZINC000190686208 329400528 /nfs/dbraw/zinc/40/05/28/329400528.db2.gz CDXDTCFBDZWGAX-UHFFFAOYSA-N 0 0 271.335 3.245 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000061888939 329681443 /nfs/dbraw/zinc/68/14/43/329681443.db2.gz CARLJFXNHBJORP-BXKDBHETSA-N 0 0 283.158 3.415 10 30 CGEERN C[C@H](C#N)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000249514935 329907351 /nfs/dbraw/zinc/90/73/51/329907351.db2.gz BLQVEZBFIWJEHQ-PWSUYJOCSA-N 0 0 257.362 3.345 10 30 CGEERN C=CCC1(C(=O)N[C@@H](CCC)C(=O)OC(C)(C)C)CCC1 ZINC000190276312 333204979 /nfs/dbraw/zinc/20/49/79/333204979.db2.gz VEFZFCSUBCPWCS-ZDUSSCGKSA-N 0 0 295.423 3.359 10 30 CGEERN CC[C@H](CC#N)NC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000248396647 334300062 /nfs/dbraw/zinc/30/00/62/334300062.db2.gz KKYJITUPWCBQGN-FRRDWIJNSA-N 0 0 250.386 3.257 10 30 CGEERN C[C@H](CCC1CC1)NC(=O)[C@@H]1CCO[C@H]1c1nccn1C ZINC000329038695 533815022 /nfs/dbraw/zinc/81/50/22/533815022.db2.gz NPAOGGCGTGZVOE-MRVWCRGKSA-N 0 0 291.395 3.033 10 30 CGEERN CCOC(=O)[C@](C)(C#N)Cc1ccc(Br)cc1 ZINC000057624705 521320689 /nfs/dbraw/zinc/32/06/89/521320689.db2.gz HTIUTZMZQPZXBS-ZDUSSCGKSA-N 0 0 296.164 3.085 10 30 CGEERN CCC(CC)N(C)c1cccc(Cl)c1/C(N)=N/O ZINC000052904431 521545364 /nfs/dbraw/zinc/54/53/64/521545364.db2.gz DWZISGZJJXJWGB-UHFFFAOYSA-N 0 0 269.776 3.059 10 30 CGEERN COCc1cccc(CNc2cc(C)nc(C)c2C#N)c1 ZINC000156838996 523059118 /nfs/dbraw/zinc/05/91/18/523059118.db2.gz SNAIKKWSPDTAJM-UHFFFAOYSA-N 0 0 281.359 3.329 10 30 CGEERN CN(Cc1ccc(N)cc1)c1ccc(C#N)cc1Cl ZINC000062791441 523262642 /nfs/dbraw/zinc/26/26/42/523262642.db2.gz XQERZBWABYPWQQ-UHFFFAOYSA-N 0 0 271.751 3.430 10 30 CGEERN N/C(=N/O)c1ccc(OCCc2cccs2)c(Cl)c1 ZINC000062794963 526803063 /nfs/dbraw/zinc/80/30/63/526803063.db2.gz BYNOYHSTBQQUCP-UHFFFAOYSA-N 0 0 296.779 3.118 10 30 CGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H](C)c1csc(C)n1 ZINC000329899305 526836258 /nfs/dbraw/zinc/83/62/58/526836258.db2.gz MXFGGEBPIJHBCC-UFGOTCBOSA-N 0 0 280.393 3.450 10 30 CGEERN C=CCN(CC=C)C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109099786 527638920 /nfs/dbraw/zinc/63/89/20/527638920.db2.gz WMDAQJAYWZBQLJ-OLZOCXBDSA-N 0 0 277.314 3.269 10 30 CGEERN CC1=CCCc2c1ccc1c2C(=O)C(=O)C2=C1OC[C@H]2C ZINC000006031257 560204559 /nfs/dbraw/zinc/20/45/59/560204559.db2.gz AZIUYJPOBCMPON-SNVBAGLBSA-N 0 0 280.323 3.179 10 30 biogenic,in-vitro CGEERN C#CC[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000091264564 618629634 /nfs/dbraw/zinc/62/96/34/618629634.db2.gz HYCJHZMSHWQKTF-ZDUSSCGKSA-N 0 0 253.267 3.379 10 30 CGEERN C/C(=C\C(=O)N[C@H](C)C#N)c1ccccc1C(F)(F)F ZINC000173281618 623317404 /nfs/dbraw/zinc/31/74/04/623317404.db2.gz ABGOEPOQBXZYPH-TTZKWOQHSA-N 0 0 282.265 3.137 10 30 CGEERN CC(C)[C@@H](C)NC(=O)Nc1ccccc1O[C@H](C)C#N ZINC000180063776 624713425 /nfs/dbraw/zinc/71/34/25/624713425.db2.gz UGFGYQRHPCUAMU-VXGBXAGGSA-N 0 0 275.352 3.143 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)Nc1ccccc1-c1ncco1 ZINC000826697332 638209505 /nfs/dbraw/zinc/20/95/05/638209505.db2.gz BTHOZZPNXYBKKE-YPMHNXCESA-N 0 0 296.330 3.155 10 30 CGEERN C=CCCO[C@H](C)C(=O)O[C@@H](C)c1cccs1 ZINC000194564189 640540112 /nfs/dbraw/zinc/54/01/12/640540112.db2.gz BRSABMZDPCFFRA-WDEREUQCSA-N 0 0 254.351 3.334 10 30 CGEERN C[C@@H](OC(=O)c1cc(C#N)cs1)c1nc2ccccc2[nH]1 ZINC000083940042 640602844 /nfs/dbraw/zinc/60/28/44/640602844.db2.gz JTOPPRKWWPKWSS-SECBINFHSA-N 0 0 297.339 3.414 10 30 CGEERN CC(C)(C#N)COC(=O)/C=C\c1ccccc1Cl ZINC000588418959 799692996 /nfs/dbraw/zinc/69/29/96/799692996.db2.gz FODNEPHRULZCCC-FPLPWBNLSA-N 0 0 263.724 3.446 10 30 CGEERN C=C[C@@](C)(CCOC)COC(=O)/C=C\c1ccco1 ZINC000588551881 799710279 /nfs/dbraw/zinc/71/02/79/799710279.db2.gz CASZRDWQWBUTNY-LZNQSLFOSA-N 0 0 264.321 3.065 10 30 CGEERN O=C(/C=C\c1cocn1)c1ccc(Br)cc1 ZINC000588561598 799711307 /nfs/dbraw/zinc/71/13/07/799711307.db2.gz OJECXAGEKIFDDB-WAYWQWQTSA-N 0 0 278.105 3.333 10 30 CGEERN Cc1ccc(N=C2NC(=O)/C(=C\c3cocn3)S2)c(C)c1 ZINC000588561557 799711669 /nfs/dbraw/zinc/71/16/69/799711669.db2.gz JIDXBJYCSLILIF-AWNIVKPZSA-N 0 0 299.355 3.183 10 30 CGEERN C=CC(C)(C)CC[NH2+]Cc1ccsc1C(=O)[O-] ZINC000701892351 977051536 /nfs/dbraw/zinc/05/15/36/977051536.db2.gz WIUJQMTWCLNVRD-UHFFFAOYSA-N 0 0 253.367 3.138 10 30 CGEERN COc1ccc(/C=N/O)cc1OCc1ccccc1C ZINC000103844751 230393367 /nfs/dbraw/zinc/39/33/67/230393367.db2.gz LNGVAHHPPQTPJB-LICLKQGHSA-N 0 0 271.316 3.391 10 30 CGEERN CC/N=C1/S/C(=C\c2sccc2C)C(=O)N1CC ZINC000096901822 185128607 /nfs/dbraw/zinc/12/86/07/185128607.db2.gz CVEYKPVCEMYTOR-KBABRGLLSA-N 0 0 280.418 3.369 10 30 CGEERN CC(C)CC[C@H]1CCCN(c2ccc(C#N)nn2)C1 ZINC000301948066 136443924 /nfs/dbraw/zinc/44/39/24/136443924.db2.gz HUFNOUQKBWEDOZ-CYBMUJFWSA-N 0 0 258.369 3.001 10 30 CGEERN O=C(/C=C/c1ccccc1)c1ccc(OC[C@@H]2CO2)cc1 ZINC000016931693 344886923 /nfs/dbraw/zinc/88/69/23/344886923.db2.gz ZHRJQHWCLNECDL-SCBHQAGPSA-N 0 0 280.323 3.360 10 30 CGEERN C=C(CCCCC(=O)OC)CCCCC(=O)OC ZINC000038955089 344956903 /nfs/dbraw/zinc/95/69/03/344956903.db2.gz HSGTZMDNWFXVQQ-UHFFFAOYSA-N 0 0 256.342 3.009 10 30 CGEERN CC(C)N[C@H](C#N)c1cc(Br)cs1 ZINC000041677475 344972510 /nfs/dbraw/zinc/97/25/10/344972510.db2.gz ZVGYZNSUPHWRBR-MRVPVSSYSA-N 0 0 259.172 3.073 10 30 CGEERN C#CCCCCCCOS(=O)(=O)c1ccc(C)cc1 ZINC000034460933 344939729 /nfs/dbraw/zinc/93/97/29/344939729.db2.gz OJNJXLZRWIEFKZ-UHFFFAOYSA-N 0 0 280.389 3.284 10 30 CGEERN C[C@@H]1CSC(Nc2ccccc2Br)=N1 ZINC000035294922 344942096 /nfs/dbraw/zinc/94/20/96/344942096.db2.gz ZJIFENBLXIBTHA-SSDOTTSWSA-N 0 0 271.183 3.162 10 30 CGEERN C=C(Cl)CNc1ccccc1I ZINC000037488460 344950876 /nfs/dbraw/zinc/95/08/76/344950876.db2.gz HRBQOWKQAOQXLL-UHFFFAOYSA-N 0 0 293.535 3.456 10 30 CGEERN Cc1ccc([C@@H](C)NC(=O)N(C)Cc2cccc(C#N)c2)o1 ZINC000043721999 345003156 /nfs/dbraw/zinc/00/31/56/345003156.db2.gz ZEYSCPYCYXWUMW-CYBMUJFWSA-N 0 0 297.358 3.362 10 30 CGEERN C=CCN1C(=S)N=NC1CCCOc1ccc(C)cc1 ZINC000064871998 345265906 /nfs/dbraw/zinc/26/59/06/345265906.db2.gz RIKNZBUSQDCRFW-UHFFFAOYSA-N 0 0 289.404 3.073 10 30 CGEERN C[C@H](CC#N)Sc1ncccc1Br ZINC000070614885 345392552 /nfs/dbraw/zinc/39/25/52/345392552.db2.gz SWTMTWBSULNPJT-SSDOTTSWSA-N 0 0 257.156 3.238 10 30 CGEERN C[C@@H](CC#N)Sc1ncccc1Br ZINC000070614884 345392616 /nfs/dbraw/zinc/39/26/16/345392616.db2.gz SWTMTWBSULNPJT-ZETCQYMHSA-N 0 0 257.156 3.238 10 30 CGEERN C=C(Cl)CNc1ncc(C)cc1Br ZINC000097845336 345909799 /nfs/dbraw/zinc/90/97/99/345909799.db2.gz DMBILEXUGJGUAD-UHFFFAOYSA-N 0 0 261.550 3.317 10 30 CGEERN N#Cc1cc2cc([C@H](CO)c3ccccc3)ccc2[nH]1 ZINC000118592431 345989617 /nfs/dbraw/zinc/98/96/17/345989617.db2.gz ZNDPHGFBBLDSFV-MRXNPFEDSA-N 0 0 262.312 3.164 10 30 CGEERN CCCCCCCCCCCCn1nnnc1N ZINC000137602060 346094896 /nfs/dbraw/zinc/09/48/96/346094896.db2.gz PLCKCTIXVOHDAX-UHFFFAOYSA-N 0 0 253.394 3.176 10 30 CGEERN C=CC[C@@H](O)c1cc(OC)ccc1Br ZINC000158807718 346165698 /nfs/dbraw/zinc/16/56/98/346165698.db2.gz QFCBTKWTRSKGDS-LLVKDONJSA-N 0 0 257.127 3.067 10 30 CGEERN O=C1C=C(Sc2ccc(Br)cn2)CC1 ZINC000160281452 346170205 /nfs/dbraw/zinc/17/02/05/346170205.db2.gz CJJWTKATIDXPIH-UHFFFAOYSA-N 0 0 270.151 3.183 10 30 CGEERN CC#CCC[C@H](O)c1ccc(Br)cc1 ZINC000160965059 346173733 /nfs/dbraw/zinc/17/37/33/346173733.db2.gz YZRFVRGYLUIJCG-LBPRGKRZSA-N 0 0 253.139 3.286 10 30 CGEERN CO[C@@H](C#N)c1ccc(Br)cc1Cl ZINC000161120252 346174363 /nfs/dbraw/zinc/17/43/63/346174363.db2.gz QUXVXPUXNYUIEX-VIFPVBQESA-N 0 0 260.518 3.314 10 30 CGEERN CC#CCCNc1ccccc1I ZINC000157768227 346162352 /nfs/dbraw/zinc/16/23/52/346162352.db2.gz BFEQMDLJLZNSCO-UHFFFAOYSA-N 0 0 285.128 3.117 10 30 CGEERN CC#CC[C@@H](O)c1cc(F)ccc1Br ZINC000169090732 346192028 /nfs/dbraw/zinc/19/20/28/346192028.db2.gz LHBASDJAOADNCB-LLVKDONJSA-N 0 0 257.102 3.035 10 30 CGEERN CC1(CCCC#CCCCO[C@@H]2CCCCO2)OCCO1 ZINC000196584395 346276477 /nfs/dbraw/zinc/27/64/77/346276477.db2.gz VCTDRZCMUBRDQI-INIZCTEOSA-N 0 0 296.407 3.247 10 30 CGEERN C[Si](C)(C)CCOCn1cnc2ccc(C#N)cc21 ZINC000223601554 346300598 /nfs/dbraw/zinc/30/05/98/346300598.db2.gz DCKNVFGSSUYRHM-UHFFFAOYSA-N 0 0 273.412 3.220 10 30 CGEERN CSc1ccc(C#CC(=O)c2ccc(O)cc2)cc1 ZINC000225557366 346304858 /nfs/dbraw/zinc/30/48/58/346304858.db2.gz CICXAYZIBLAMEL-UHFFFAOYSA-N 0 0 268.337 3.349 10 30 CGEERN COc1c(Cl)cc(Br)cc1CC#N ZINC000216326313 346290025 /nfs/dbraw/zinc/29/00/25/346290025.db2.gz LPVBHXNJSZSCAB-UHFFFAOYSA-N 0 0 260.518 3.177 10 30 CGEERN C[C@@](C#N)(CC1CC1)c1cnc(C(F)(F)F)nc1 ZINC000217349860 346290988 /nfs/dbraw/zinc/29/09/88/346290988.db2.gz OUEWXBGUUXBDHW-NSHDSACASA-N 0 0 255.243 3.077 10 30 CGEERN C=C(Br)CNc1cc(Cl)nc(SC)n1 ZINC000229317052 346317143 /nfs/dbraw/zinc/31/71/43/346317143.db2.gz LDQPLZDVRBCXDD-UHFFFAOYSA-N 0 0 294.605 3.172 10 30 CGEERN CC[C@@H](C#N)Nc1cc(C)cc(Br)c1 ZINC000231977631 346323482 /nfs/dbraw/zinc/32/34/82/346323482.db2.gz PPKAXVTYFXUZCZ-JTQLQIEISA-N 0 0 253.143 3.472 10 30 CGEERN N#Cc1cccc2cc(I)ccc12 ZINC000238530665 346349870 /nfs/dbraw/zinc/34/98/70/346349870.db2.gz ILDRNFUVPDLLNX-UHFFFAOYSA-N 0 0 279.080 3.316 10 30 CGEERN C#CCC(=O)Nc1cc(Cl)c(C)cc1Br ZINC000235781105 346337097 /nfs/dbraw/zinc/33/70/97/346337097.db2.gz SXKNXHISCWERKY-UHFFFAOYSA-N 0 0 286.556 3.373 10 30 CGEERN C=CC[C@@H](O)c1ccc(F)cc1I ZINC000236535158 346340770 /nfs/dbraw/zinc/34/07/70/346340770.db2.gz CNIRTWSTQQUWHF-SNVBAGLBSA-N 0 0 292.091 3.040 10 30 CGEERN COC(=O)c1ccc(N=Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000257352711 346400040 /nfs/dbraw/zinc/40/00/40/346400040.db2.gz MXPZWBFXNXTFQB-UHFFFAOYSA-N 0 0 284.271 3.132 10 30 CGEERN N#Cc1ccc(CO)c(C(F)(F)F)c1C(F)(F)F ZINC000514261095 346635773 /nfs/dbraw/zinc/63/57/73/346635773.db2.gz WKDZAZYHTHNZAR-UHFFFAOYSA-N 0 0 269.144 3.088 10 30 CGEERN N#CCc1ccc(C(F)(F)F)nc1C(F)(F)F ZINC000514263168 346636231 /nfs/dbraw/zinc/63/62/31/346636231.db2.gz IWPHTRNURDTVHH-UHFFFAOYSA-N 0 0 254.133 3.185 10 30 CGEERN N#C[C@@H](c1cccc(F)c1)[C@H](CCO)c1cncs1 ZINC000584639368 346702203 /nfs/dbraw/zinc/70/22/03/346702203.db2.gz WLJZMIYVOAFMOH-STQMWFEESA-N 0 0 276.336 3.056 10 30 CGEERN C=CCOc1ccc(O[C@H]2CCCCO2)cc1OC(C)=O ZINC000584650918 346704228 /nfs/dbraw/zinc/70/42/28/346704228.db2.gz GBUMJGOSCRRERZ-INIZCTEOSA-N 0 0 292.331 3.082 10 30 CGEERN N#CC[C@@H](O)Cc1ccc(Oc2ccccc2)cc1 ZINC000584594653 346686161 /nfs/dbraw/zinc/68/61/61/346686161.db2.gz QIPUSOJFWJGUSY-CQSZACIVSA-N 0 0 253.301 3.296 10 30 CGEERN CSc1ccc(C#C[C@@H](O)c2ccc(O)cc2)cc1 ZINC000584595982 346687582 /nfs/dbraw/zinc/68/75/82/346687582.db2.gz GOWVPGTWGLXBLD-MRXNPFEDSA-N 0 0 270.353 3.199 10 30 CGEERN N#Cc1ccc(C#C[C@@](O)(C2CCCC2)C2(C#N)CC2)cc1 ZINC000584599221 346689162 /nfs/dbraw/zinc/68/91/62/346689162.db2.gz WSBVBSPQAMMNPM-LJQANCHMSA-N 0 0 290.366 3.135 10 30 CGEERN Cc1ccc(S(=O)(=O)O[C@H]2CC[C@H](C)CC2)cc1 ZINC000584601580 346689643 /nfs/dbraw/zinc/68/96/43/346689643.db2.gz ZXEYWAUEJYOOIU-AULYBMBSSA-N 0 0 268.378 3.279 10 30 CGEERN C=C(C)CC(C(=O)OC)(C(F)(F)F)C(F)(F)F ZINC000584606939 346691182 /nfs/dbraw/zinc/69/11/82/346691182.db2.gz CVZXVEKGEOPVRK-UHFFFAOYSA-N 0 0 264.165 3.237 10 30 CGEERN COc1ccc(-c2ccc(C[C@@H](O)CC#N)cc2)cc1 ZINC000584611839 346692741 /nfs/dbraw/zinc/69/27/41/346692741.db2.gz MSKLIMHNXRPEAU-INIZCTEOSA-N 0 0 267.328 3.179 10 30 CGEERN COc1ccc([C@]23CCC(=O)C(C)=C2CCCC3=O)cc1 ZINC000584615802 346693687 /nfs/dbraw/zinc/69/36/87/346693687.db2.gz GQSQJJTWFSNZJX-GOSISDBHSA-N 0 0 284.355 3.365 10 30 CGEERN Cc1ccc([C@]2(c3ccccc3)O[C@H](O)C=CC2=O)cc1C ZINC000584625152 346697290 /nfs/dbraw/zinc/69/72/90/346697290.db2.gz FQQWASWHHBRYPZ-OALUTQOASA-N 0 0 294.350 3.021 10 30 CGEERN N#C[C@@H](c1ccncc1)[C@@H](CCO)c1cc(F)ccc1F ZINC000584636901 346701002 /nfs/dbraw/zinc/70/10/02/346701002.db2.gz YBDLKJDZIHNUQF-ZFWWWQNUSA-N 0 0 288.297 3.133 10 30 CGEERN N#C[C@@H](c1cscn1)[C@@H](CCO)c1cc(F)ccc1F ZINC000584637028 346701060 /nfs/dbraw/zinc/70/10/60/346701060.db2.gz KUXVWMMLEPWTNB-CMPLNLGQSA-N 0 0 294.326 3.195 10 30 CGEERN CCCCCCCCCC(=O)N(C)CC(=O)OCC ZINC000103427000 185839561 /nfs/dbraw/zinc/83/95/61/185839561.db2.gz CUBHCXXPLFSQKB-UHFFFAOYSA-N 0 0 271.401 3.149 10 30 CGEERN CCCCc1ccc(C(=O)N[C@@H]2CCC[C@H]2C#N)cc1 ZINC000610496658 348385370 /nfs/dbraw/zinc/38/53/70/348385370.db2.gz HUYPMFPRLAMGOC-JKSUJKDBSA-N 0 0 270.376 3.451 10 30 CGEERN N#Cc1ccccc1[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000616604142 348843093 /nfs/dbraw/zinc/84/30/93/348843093.db2.gz RAGZQKPRIVFQLX-SFHVURJKSA-N 0 0 278.355 3.132 10 30 CGEERN CCC1(CC)CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000104306429 185961203 /nfs/dbraw/zinc/96/12/03/185961203.db2.gz NSEGHVVBOLXPEK-UHFFFAOYSA-N 0 0 260.385 3.007 10 30 CGEERN CC(C)(C)OC(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 ZINC000091353024 180138372 /nfs/dbraw/zinc/13/83/72/180138372.db2.gz DEPZHMKTAHCTNM-SECBINFHSA-N 0 0 286.253 3.049 10 30 CGEERN N#Cc1nc2ccccc2cc1N[C@H]1CC12CCOCC2 ZINC000334052495 283252721 /nfs/dbraw/zinc/25/27/21/283252721.db2.gz SPIJESGNKCJAOK-INIZCTEOSA-N 0 0 279.343 3.087 10 30 CGEERN C#CCCCCC(=O)N[C@H]1CCCc2ccccc21 ZINC000179627733 189208357 /nfs/dbraw/zinc/20/83/57/189208357.db2.gz UMPXJJJDGNYFGT-INIZCTEOSA-N 0 0 255.361 3.374 10 30 CGEERN N#Cc1cccnc1Oc1cccc(Cl)c1C#N ZINC000301576552 201077501 /nfs/dbraw/zinc/07/75/01/201077501.db2.gz YVYDYPCWRHPYNZ-UHFFFAOYSA-N 0 0 255.664 3.271 10 30 CGEERN CCC[C@H](C#C[Si](C)(C)C)N[S@@](=O)C(C)(C)C ZINC000170012567 283757179 /nfs/dbraw/zinc/75/71/79/283757179.db2.gz JPNYDMZMKCNGAK-WBMJQRKESA-N 0 0 273.518 3.088 10 30 CGEERN O=C1c2ccccc2CC[C@@]12O[C@@H]2c1ccccc1 ZINC000000159812 368304883 /nfs/dbraw/zinc/30/48/83/368304883.db2.gz KEGOBJMZUSOZFM-IAGOWNOFSA-N 0 0 250.297 3.326 10 30 CGEERN COC(=O)c1ccc(/N=C\c2cccc(OC)c2)cc1 ZINC000000524340 368382647 /nfs/dbraw/zinc/38/26/47/368382647.db2.gz BENGWRZJZPTMIZ-BOPFTXTBSA-N 0 0 269.300 3.232 10 30 CGEERN C[C@@H](O[C@@H]1CCCCO1)[C@@]1(c2ccc(F)cc2F)CO1 ZINC000034348922 368974347 /nfs/dbraw/zinc/97/43/47/368974347.db2.gz PWBIMUAZFIPFKO-VCTAVGKDSA-N 0 0 284.302 3.122 10 30 CGEERN Cc1cc(N[C@@H](C)CC#N)ccc1Br ZINC000032107773 368925048 /nfs/dbraw/zinc/92/50/48/368925048.db2.gz QQDUGYVCZBVGFT-VIFPVBQESA-N 0 0 253.143 3.472 10 30 CGEERN Cc1ccc(NC(=S)N/N=C\c2cccc(O)c2)cc1 ZINC000033281692 368960810 /nfs/dbraw/zinc/96/08/10/368960810.db2.gz PIBYHFCNYIRJLF-YBEGLDIGSA-N 0 0 285.372 3.021 10 30 CGEERN N#Cc1ccc2c(c1)C(=O)C(c1ccccc1)C(=O)N2 ZINC000036185228 369014649 /nfs/dbraw/zinc/01/46/49/369014649.db2.gz VVJMONZJRBLNMY-UHFFFAOYSA-N 0 0 262.268 3.185 10 30 CGEERN N#CCCC(=O)c1cc(Br)ccc1F ZINC000036303534 369015735 /nfs/dbraw/zinc/01/57/35/369015735.db2.gz WUVTZFWPRMASNM-UHFFFAOYSA-N 0 0 256.074 3.075 10 30 CGEERN N#CCCC(=O)c1ccc(F)c(Br)c1 ZINC000036303498 369016074 /nfs/dbraw/zinc/01/60/74/369016074.db2.gz DZQHNNTXDUHTRP-UHFFFAOYSA-N 0 0 256.074 3.075 10 30 CGEERN CCCCN(CCC)c1ccc([N+](=O)[O-])c(C#N)c1 ZINC000038303190 369146832 /nfs/dbraw/zinc/14/68/32/369146832.db2.gz JONYVHOOQCIJPO-UHFFFAOYSA-N 0 0 261.325 3.483 10 30 CGEERN C[C@@H](NC(=O)NCc1cccc(C#N)c1)c1cccs1 ZINC000042322047 369213623 /nfs/dbraw/zinc/21/36/23/369213623.db2.gz WOOFNRBWNASLFR-LLVKDONJSA-N 0 0 285.372 3.180 10 30 CGEERN N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1COc2ccccc21 ZINC000058545184 369569571 /nfs/dbraw/zinc/56/95/71/369569571.db2.gz XXZOQLZWBXVMTB-CQSZACIVSA-N 0 0 281.271 3.012 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000061889270 369609661 /nfs/dbraw/zinc/60/96/61/369609661.db2.gz AARGXOFQGNZNQL-MGZIPMFSSA-N 0 0 272.392 3.011 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NCc1c(F)cccc1Cl ZINC000061891373 369610957 /nfs/dbraw/zinc/61/09/57/369610957.db2.gz PSKCHBMLOXZOKU-ZANVPECISA-N 0 0 252.720 3.261 10 30 CGEERN COc1cccc(CN[C@@H]2CCC[C@@H]2C#N)c1OC(F)F ZINC000061891926 369611178 /nfs/dbraw/zinc/61/11/78/369611178.db2.gz HYAWJGJPGOLDSM-ZYHUDNBSSA-N 0 0 296.317 3.078 10 30 CGEERN FC(F)[C@@H](O[C@H](C(F)F)C(F)(F)F)C(F)(F)F ZINC000100440161 370279063 /nfs/dbraw/zinc/27/90/63/370279063.db2.gz JZBQCJRCMQCPKE-JCYAYHJZSA-N 0 0 282.077 3.395 10 30 CGEERN F[C@H]1O[C@@]1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000100483875 370280030 /nfs/dbraw/zinc/28/00/30/370280030.db2.gz PVWZPUCUQYDJMI-NHYDCYSISA-N 0 0 298.051 3.446 10 30 CGEERN CC(C)[C@](C)(C#N)NC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109083851 370360944 /nfs/dbraw/zinc/36/09/44/370360944.db2.gz BTLCWGALVVXGHN-HSMVNMDESA-N 0 0 292.329 3.123 10 30 CGEERN C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1ccccc1C#N ZINC000117566311 370594787 /nfs/dbraw/zinc/59/47/87/370594787.db2.gz KNAOUWXEEKZFGE-ZBEGNZNMSA-N 0 0 278.311 3.061 10 30 CGEERN N#CC1(C(=O)N2CC=C(c3cccs3)CC2)CCCC1 ZINC000117722277 370597890 /nfs/dbraw/zinc/59/78/90/370597890.db2.gz XSQVOFVQXXYFQN-UHFFFAOYSA-N 0 0 286.400 3.448 10 30 CGEERN N#CCC[C@H](C#N)CN1CC=C(c2cccs2)CC1 ZINC000117945347 370602737 /nfs/dbraw/zinc/60/27/37/370602737.db2.gz BQDBJKBMZUIYJQ-CYBMUJFWSA-N 0 0 271.389 3.281 10 30 CGEERN C[C@@H](c1ccc(C#N)cc1)N1CCO[C@H](c2nccs2)C1 ZINC000118396163 370613289 /nfs/dbraw/zinc/61/32/89/370613289.db2.gz OPOZRNKNWXNJCT-WFASDCNBSA-N 0 0 299.399 3.149 10 30 CGEERN Cc1cc(NCCc2cccs2)c(C#N)c(C)n1 ZINC000133751380 371277028 /nfs/dbraw/zinc/27/70/28/371277028.db2.gz NIMVXUHCXVOMPO-UHFFFAOYSA-N 0 0 257.362 3.286 10 30 CGEERN Cc1cc(C(=O)N[C@H]2CCC[C@@H]2C#N)ccc1Cl ZINC000135026088 371384023 /nfs/dbraw/zinc/38/40/23/371384023.db2.gz CDBWYUVKHDPEBF-YPMHNXCESA-N 0 0 262.740 3.071 10 30 CGEERN C=CCOCCCC(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000157794118 372038064 /nfs/dbraw/zinc/03/80/64/372038064.db2.gz JVDGDVVVTDFKOK-MRXNPFEDSA-N 0 0 291.366 3.302 10 30 CGEERN C=CCCO[C@@H](C)C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000157925763 372043299 /nfs/dbraw/zinc/04/32/99/372043299.db2.gz MLCYJTKWQVQUMX-LRDDRELGSA-N 0 0 291.366 3.301 10 30 CGEERN C[C@@H]1COC[C@H](C)N1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177288535 373672126 /nfs/dbraw/zinc/67/21/26/373672126.db2.gz WXNJZHKIJBGGKU-BETUJISGSA-N 0 0 297.320 3.166 10 30 CGEERN C[C@@H]1C[C@@H](C(=O)Nc2ccc(C#N)cn2)CC(C)(C)C1 ZINC000180173122 373974391 /nfs/dbraw/zinc/97/43/91/373974391.db2.gz GSBNLDVAJGOXHF-DGCLKSJQSA-N 0 0 271.364 3.354 10 30 CGEERN Cn1cc([C@H]2OCC[C@@H]2NC(=O)CC2=CCCCC2)cn1 ZINC000328636535 374373454 /nfs/dbraw/zinc/37/34/54/374373454.db2.gz VNNCTVHSCLFMBF-GOEBONIOSA-N 0 0 289.379 3.097 10 30 CGEERN C[C@H](CC1CC1)NC(=O)N[C@@H]1CCCC12CCOCC2 ZINC000328833406 374386233 /nfs/dbraw/zinc/38/62/33/374386233.db2.gz RUPKXZWRNSNMCY-TZMCWYRMSA-N 0 0 280.412 3.028 10 30 CGEERN C=C(C)C[C@@H](C)C(=O)N1CCC[C@H](n2ccnc2CC)C1 ZINC000185612939 374698998 /nfs/dbraw/zinc/69/89/98/374698998.db2.gz CTPDIQHRIBTPAS-CABCVRRESA-N 0 0 289.423 3.211 10 30 CGEERN C=C(C)C[C@H](C)C(=O)N1CCC[C@H](n2ccnc2CC)C1 ZINC000185612904 374699322 /nfs/dbraw/zinc/69/93/22/374699322.db2.gz CTPDIQHRIBTPAS-GJZGRUSLSA-N 0 0 289.423 3.211 10 30 CGEERN C=CCN(C)C(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000187694732 375075212 /nfs/dbraw/zinc/07/52/12/375075212.db2.gz NGUXGKGVVLFWEZ-SWLSCSKDSA-N 0 0 258.365 3.452 10 30 CGEERN C=CCN(C(=O)[C@@H]1CCCO[C@@H]1C)c1ccccc1 ZINC000191866078 375671351 /nfs/dbraw/zinc/67/13/51/375671351.db2.gz ZESWZMPUIAKANY-UKRRQHHQSA-N 0 0 259.349 3.021 10 30 CGEERN Cc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccccc2C#N)o1 ZINC000193641594 375900346 /nfs/dbraw/zinc/90/03/46/375900346.db2.gz VBSRGXFVVLLUFD-STQMWFEESA-N 0 0 297.358 3.138 10 30 CGEERN C[Si](C)(C)C#C[C@H](O)c1ccc(Br)cc1 ZINC000198454428 376121392 /nfs/dbraw/zinc/12/13/92/376121392.db2.gz UCVNINZWJPHBGW-LBPRGKRZSA-N 0 0 283.241 3.363 10 30 CGEERN Cc1cc(NCCCCOC(C)C)c(C#N)c(C)n1 ZINC000228562618 376442947 /nfs/dbraw/zinc/44/29/47/376442947.db2.gz CNJHNGOEGOILGS-UHFFFAOYSA-N 0 0 261.369 3.187 10 30 CGEERN C=C(Cl)CN1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000247008287 377140403 /nfs/dbraw/zinc/14/04/03/377140403.db2.gz LLVSGFBJZQSGMI-VXGBXAGGSA-N 0 0 271.813 3.389 10 30 CGEERN CCOC(=O)c1cc(CC)c(C#N)cc1C(F)F ZINC000575389381 377897722 /nfs/dbraw/zinc/89/77/22/377897722.db2.gz DNYUOHHHYKFQFZ-UHFFFAOYSA-N 0 0 253.248 3.235 10 30 CGEERN COC(=O)c1cc(C#N)cc(F)c1SC(F)(F)F ZINC000575390673 377898346 /nfs/dbraw/zinc/89/83/46/377898346.db2.gz OKDMWRJNDJUDEN-UHFFFAOYSA-N 0 0 279.214 3.096 10 30 CGEERN COC(=O)c1cc(C(F)(F)F)c(C#N)cc1C(F)F ZINC000575343686 377883506 /nfs/dbraw/zinc/88/35/06/377883506.db2.gz AWGHFYXXSYASBS-UHFFFAOYSA-N 0 0 279.164 3.301 10 30 CGEERN COC(=O)c1c(F)ccc(C#N)c1SC(F)(F)F ZINC000575390734 377900393 /nfs/dbraw/zinc/90/03/93/377900393.db2.gz WHUKHDKYNMUSSW-UHFFFAOYSA-N 0 0 279.214 3.096 10 30 CGEERN CCOC(=O)c1ccc(C(=O)/C=C/c2ccccc2)o1 ZINC000575361752 377889089 /nfs/dbraw/zinc/88/90/89/377889089.db2.gz DAGDFYLAZNNVBX-CMDGGOBGSA-N 0 0 270.284 3.352 10 30 CGEERN N#CCc1cc(N)cc(C(F)(F)F)c1C(F)(F)F ZINC000575381512 377892464 /nfs/dbraw/zinc/89/24/64/377892464.db2.gz YEAXEKXZVOEZJX-UHFFFAOYSA-N 0 0 268.160 3.372 10 30 CGEERN CCOC(=O)c1cc(Cl)c(C(F)(F)F)c(C#N)c1 ZINC000575383416 377893775 /nfs/dbraw/zinc/89/37/75/377893775.db2.gz ULEKPDUSPQUINK-UHFFFAOYSA-N 0 0 277.629 3.407 10 30 CGEERN CCOC(=O)Cc1c(C#N)ccc(C(F)(F)F)c1Cl ZINC000575383313 377894097 /nfs/dbraw/zinc/89/40/97/377894097.db2.gz OYGPZHPOQFZVTQ-UHFFFAOYSA-N 0 0 291.656 3.336 10 30 CGEERN CCOC(=O)c1c(C#N)cc(CC)cc1OC(F)(F)F ZINC000575388907 377896281 /nfs/dbraw/zinc/89/62/81/377896281.db2.gz KKPJFEHYKDJNPL-UHFFFAOYSA-N 0 0 287.237 3.196 10 30 CGEERN CCOC(=O)c1c(C#N)cc(C(F)F)cc1CC ZINC000575389383 377897375 /nfs/dbraw/zinc/89/73/75/377897375.db2.gz DVOUAVZKBIFLGN-UHFFFAOYSA-N 0 0 253.248 3.235 10 30 CGEERN N#CCc1cc(C#N)c(C(F)(F)F)cc1OC(F)F ZINC000575639510 377925276 /nfs/dbraw/zinc/92/52/76/377925276.db2.gz RUIJLXLLEYRUMJ-UHFFFAOYSA-N 0 0 276.164 3.245 10 30 CGEERN CCOc1cc(C#N)c(CC#N)c(C(F)(F)F)c1 ZINC000575642933 377925880 /nfs/dbraw/zinc/92/58/80/377925880.db2.gz KVYOHWHSRMNTHE-UHFFFAOYSA-N 0 0 254.211 3.042 10 30 CGEERN CCc1cc(C#N)c(OC(F)(F)F)c(CC#N)c1 ZINC000575650841 377928840 /nfs/dbraw/zinc/92/88/40/377928840.db2.gz YONILGLMYOSRFW-UHFFFAOYSA-N 0 0 254.211 3.085 10 30 CGEERN N#CCc1cc(C(F)F)c([N+](=O)[O-])cc1OC(F)F ZINC000575652229 377929400 /nfs/dbraw/zinc/92/94/00/377929400.db2.gz CKGBNMLMOIQHAK-UHFFFAOYSA-N 0 0 278.161 3.200 10 30 CGEERN COc1cc(CC#N)c(OC(F)F)c(C(F)(F)F)c1 ZINC000575664246 377939702 /nfs/dbraw/zinc/93/97/02/377939702.db2.gz DYEATGAGWKHVLT-UHFFFAOYSA-N 0 0 281.180 3.381 10 30 CGEERN Cc1c(C#N)c(OC(F)F)ccc1C(F)(F)F ZINC000575664591 377940977 /nfs/dbraw/zinc/94/09/77/377940977.db2.gz IVIRHTKCHOFWTN-UHFFFAOYSA-N 0 0 251.154 3.487 10 30 CGEERN N#Cc1cc(C(F)(F)F)c(OC(F)F)cc1[N+](=O)[O-] ZINC000575668108 377945502 /nfs/dbraw/zinc/94/55/02/377945502.db2.gz UDNYGGKGISRCDM-UHFFFAOYSA-N 0 0 282.124 3.087 10 30 CGEERN CCOc1cc(CC)c(C#N)c(OC(F)(F)F)c1 ZINC000575671409 377947665 /nfs/dbraw/zinc/94/76/65/377947665.db2.gz JPNKPLFJMBUOHS-UHFFFAOYSA-N 0 0 259.227 3.418 10 30 CGEERN N#Cc1c(F)c(OC(F)F)ccc1Br ZINC000575679880 377953900 /nfs/dbraw/zinc/95/39/00/377953900.db2.gz DYLCSTUYHOSQMT-UHFFFAOYSA-N 0 0 266.016 3.061 10 30 CGEERN COC(=O)c1ccc(SC(F)(F)F)c(C)c1C#N ZINC000575394238 377901187 /nfs/dbraw/zinc/90/11/87/377901187.db2.gz ACXTWFDRKXTVEA-UHFFFAOYSA-N 0 0 275.251 3.265 10 30 CGEERN Nc1cc(C(F)(F)F)cc(OC(F)(F)F)c1F ZINC000575397360 377904630 /nfs/dbraw/zinc/90/46/30/377904630.db2.gz OMNXJSGCARTVSP-UHFFFAOYSA-N 0 0 263.112 3.325 10 30 CGEERN C[C@@H]1CCC[C@@](C#N)(NC(=O)OC(C)(C)C)[C@H]1C ZINC000575497281 377915950 /nfs/dbraw/zinc/91/59/50/377915950.db2.gz UAHCDVCPTUIVLE-SUNKGSAMSA-N 0 0 252.358 3.230 10 30 CGEERN N#Cc1cc(C(F)(F)F)c(F)cc1Br ZINC000575690018 377965410 /nfs/dbraw/zinc/96/54/10/377965410.db2.gz RQRROHMBYJAHJE-UHFFFAOYSA-N 0 0 268.007 3.479 10 30 CGEERN N#CCc1cc(Cl)cc([N+](=O)[O-])c1C(F)(F)F ZINC000575693582 377968422 /nfs/dbraw/zinc/96/84/22/377968422.db2.gz BKCXVZCNTLPHBH-UHFFFAOYSA-N 0 0 264.590 3.333 10 30 CGEERN N#Cc1c(Cl)ccc(Cl)c1I ZINC000575694957 377969369 /nfs/dbraw/zinc/96/93/69/377969369.db2.gz NRYWKEQJQXKFRD-UHFFFAOYSA-N 0 0 297.910 3.470 10 30 CGEERN CCc1ccc(OC)c(CC#N)c1OC(F)(F)F ZINC000575703679 377977213 /nfs/dbraw/zinc/97/72/13/377977213.db2.gz OFOHUPCCOHLZQU-UHFFFAOYSA-N 0 0 259.227 3.222 10 30 CGEERN CCc1c([N+](=O)[O-])cc(CC#N)cc1C(F)(F)F ZINC000575706589 377977793 /nfs/dbraw/zinc/97/77/93/377977793.db2.gz RILNFYRVJXTAMP-UHFFFAOYSA-N 0 0 258.199 3.242 10 30 CGEERN CC(C)[C@H](C)CC(=O)N1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000373378972 379269712 /nfs/dbraw/zinc/26/97/12/379269712.db2.gz UMGGJLYEAJDWIX-HLLBOEOZSA-N 0 0 292.423 3.122 10 30 CGEERN N#Cc1ccc(N[C@@H]2CCC[C@H](C(F)(F)F)C2)cn1 ZINC000267420450 190329148 /nfs/dbraw/zinc/32/91/48/190329148.db2.gz UIMHRHVMBUNMCU-VHSXEESVSA-N 0 0 269.270 3.486 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)CCSc1ccccc1F ZINC000359678515 381362780 /nfs/dbraw/zinc/36/27/80/381362780.db2.gz POPYEJXTKQXSEG-WCQYABFASA-N 0 0 292.379 3.116 10 30 CGEERN CCO/C=C/C(=O)c1ccc(F)cc1Br ZINC000233640425 542307118 /nfs/dbraw/zinc/30/71/18/542307118.db2.gz MAIUJNWTQHSXGM-AATRIKPKSA-N 0 0 273.101 3.321 10 30 CGEERN O=C(N[C@H]1CCOc2ccccc21)c1ncoc1C1CC1 ZINC000328711758 542443898 /nfs/dbraw/zinc/44/38/98/542443898.db2.gz RMPAXRHYRBCGJP-LBPRGKRZSA-N 0 0 284.315 3.380 10 30 CGEERN C[C@@H]1OCC[C@H]1NC(=O)NCc1csc2ccccc12 ZINC000328914754 542444975 /nfs/dbraw/zinc/44/49/75/542444975.db2.gz JCWWPLOGMMBWKH-GXFFZTMASA-N 0 0 290.388 3.082 10 30 CGEERN C[C@@H]1C[C@@H](CNc2c(F)cc(C#N)cc2F)C[C@H](C)O1 ZINC000281911940 195431153 /nfs/dbraw/zinc/43/11/53/195431153.db2.gz QHHAXYLABDONSD-PEGIJTEDSA-N 0 0 280.318 3.452 10 30 CGEERN COc1ccc2c(c1NC(=O)N[C@@H]1CCC[C@H]1C#N)CCC2 ZINC000330104429 533314937 /nfs/dbraw/zinc/31/49/37/533314937.db2.gz HNIRRUHXRGUOHE-GXTWGEPZSA-N 0 0 299.374 3.202 10 30 CGEERN CO[C@]1(C)C[C@H](NC(=O)C[C@H]2CCCCNC2=O)C1(C)C ZINC000329265578 533376131 /nfs/dbraw/zinc/37/61/31/533376131.db2.gz FGPPAFXVNJNVHY-BFQNTYOBSA-N 0 0 296.411 3.293 10 30 CGEERN C=CCCC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000238158505 131078617 /nfs/dbraw/zinc/07/86/17/131078617.db2.gz BHOZSTAEWXNODE-GFCCVEGCSA-N 0 0 267.369 3.311 10 30 CGEERN CC(C)C[C@H](C)C(=O)N1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000366180058 392451543 /nfs/dbraw/zinc/45/15/43/392451543.db2.gz GCSWLQNGGLOOER-UXLLHSPISA-N 0 0 292.423 3.122 10 30 CGEERN COC(=O)CC1([C@H]2CO2)CC(C)(C)CC(C)(C)C1 ZINC000675053638 543311859 /nfs/dbraw/zinc/31/18/59/543311859.db2.gz PPXMGUFDPBXFJH-LLVKDONJSA-N 0 0 254.370 3.171 10 30 CGEERN N#Cc1ccc(C(F)(F)F)nc1N[C@@H]1CCCCC[C@@H]1O ZINC000135806741 165446984 /nfs/dbraw/zinc/44/69/84/165446984.db2.gz XYKCHHKKYXLDFN-MNOVXSKESA-N 0 0 299.296 3.078 10 30 CGEERN Cn1c(C=NNc2ccccc2)nc2ccccc21 ZINC000005337976 170087531 /nfs/dbraw/zinc/08/75/31/170087531.db2.gz OYIOHCZVJCAMLE-LFIBNONCSA-N 0 0 250.305 3.019 10 30 CGEERN Cc1ccc(CN=Nc2nc3ccccc3c(=O)s2)cc1 ZINC000005682415 170128013 /nfs/dbraw/zinc/12/80/13/170128013.db2.gz FIJCKMGTZHZOCA-LICLKQGHSA-N 0 0 295.367 3.411 10 30 CGEERN NC(=S)N=NCc1c(Cl)ccc(Cl)c1Cl ZINC000006132394 170178857 /nfs/dbraw/zinc/17/88/57/170178857.db2.gz IIQPMLIHMSCSMA-QLKAYGNNSA-N 0 0 282.583 3.225 10 30 CGEERN C[C@@H](Oc1cccc(C#N)c1)C(=O)c1ccc(F)cc1 ZINC000006401564 170198571 /nfs/dbraw/zinc/19/85/71/170198571.db2.gz DBAQDSNPIXREQT-LLVKDONJSA-N 0 0 269.275 3.348 10 30 CGEERN CCOc1cccc(C=NNc2ccc(F)cc2)c1O ZINC000006674984 170225307 /nfs/dbraw/zinc/22/53/07/170225307.db2.gz UHRBANDMNHHILM-LICLKQGHSA-N 0 0 274.295 3.376 10 30 CGEERN C/C(=N\O)c1cccc(NC(=O)CCc2ccccc2)c1 ZINC000019425942 170794993 /nfs/dbraw/zinc/79/49/93/170794993.db2.gz QASINSVLORJXTL-CPNJWEJPSA-N 0 0 282.343 3.456 10 30 CGEERN COc1cccc(NCc2cc(C#N)ccc2F)c1 ZINC000020055777 170981035 /nfs/dbraw/zinc/98/10/35/170981035.db2.gz FITOJIGHKBPUSK-UHFFFAOYSA-N 0 0 256.280 3.318 10 30 CGEERN COc1ccc(OC)c([C@H](C#N)NC2CCCCC2)c1 ZINC000020175873 171042471 /nfs/dbraw/zinc/04/24/71/171042471.db2.gz JIAAKEOMSRAQFO-HNNXBMFYSA-N 0 0 274.364 3.191 10 30 CGEERN N#Cc1ccccc1NC(=O)c1cc(N)ccc1Cl ZINC000020194295 171060137 /nfs/dbraw/zinc/06/01/37/171060137.db2.gz DYZSWNHFDHXOMD-UHFFFAOYSA-N 0 0 271.707 3.046 10 30 CGEERN CCCN[C@H](C#N)c1ccccc1Br ZINC000020379831 171171687 /nfs/dbraw/zinc/17/16/87/171171687.db2.gz MCKSXLRGZIIYPL-LLVKDONJSA-N 0 0 253.143 3.013 10 30 CGEERN CCn1ncc(C(=O)/C=C\c2ccc(F)cc2)c1C ZINC000033523221 171812491 /nfs/dbraw/zinc/81/24/91/171812491.db2.gz QZOIZGGLGBYOLW-TWGQIWQCSA-N 0 0 258.296 3.247 10 30 CGEERN C[C@H]1CSC(Nc2ccc(OC(F)F)cc2)=N1 ZINC000035295257 172107305 /nfs/dbraw/zinc/10/73/05/172107305.db2.gz YLUFCWRBPSRETF-ZETCQYMHSA-N 0 0 258.293 3.000 10 30 CGEERN COC(C)(C)C[C@](C)(C#N)Nc1ccccc1F ZINC000037938820 173878634 /nfs/dbraw/zinc/87/86/34/173878634.db2.gz POBSTJJVBYJWDJ-CQSZACIVSA-N 0 0 250.317 3.335 10 30 CGEERN N#C[C@H](NC[C@H]1CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000037940003 173879808 /nfs/dbraw/zinc/87/98/08/173879808.db2.gz KNZXOBFOLXYWDK-MFKMUULPSA-N 0 0 285.174 3.327 10 30 CGEERN CCCN[C@](C)(C#N)c1ccc(Br)cc1 ZINC000040177333 174202441 /nfs/dbraw/zinc/20/24/41/174202441.db2.gz QUPPFACGIYHOIX-GFCCVEGCSA-N 0 0 267.170 3.187 10 30 CGEERN Cc1ccc(C(=O)N[C@H](C#N)c2ccccc2)cc1C ZINC000040215240 174204582 /nfs/dbraw/zinc/20/45/82/174204582.db2.gz FLXBBLURNUKZOS-MRXNPFEDSA-N 0 0 264.328 3.298 10 30 CGEERN COc1ccc([C@H](C)Nc2cc(C#N)ccn2)cc1OC ZINC000040491205 174292566 /nfs/dbraw/zinc/29/25/66/174292566.db2.gz MPLASZDXCOWXTP-NSHDSACASA-N 0 0 283.331 3.144 10 30 CGEERN CNC(SCc1ccc(Cl)cc1)=C(C(C)=O)C(C)=O ZINC000040570341 174338309 /nfs/dbraw/zinc/33/83/09/174338309.db2.gz YTJPRNRTPLAGHM-UHFFFAOYSA-N 0 0 297.807 3.182 10 30 CGEERN C=CCNc1ncnc(Nc2cc(C)ccc2C)c1[N+](=O)[O-] ZINC000040591734 174346978 /nfs/dbraw/zinc/34/69/78/174346978.db2.gz XAVOFTXHBCLVRJ-UHFFFAOYSA-N 0 0 299.334 3.343 10 30 CGEERN COc1ccc(NC(=O)[C@@H](C#N)Cc2ccccc2)cc1 ZINC000044808593 175257373 /nfs/dbraw/zinc/25/73/73/175257373.db2.gz LSBQCSWMHUEIKK-CQSZACIVSA-N 0 0 280.327 3.016 10 30 CGEERN Cc1nnc2n1C[C@@H](CNC(=O)C1CCCCCC1)CC2 ZINC000329325135 227443019 /nfs/dbraw/zinc/44/30/19/227443019.db2.gz IOBSBXWCBZAOHT-CYBMUJFWSA-N 0 0 290.411 3.076 10 30 CGEERN Cc1nc([C@H](C)NC(=O)c2conc2C2CC2)cs1 ZINC000329518277 227568260 /nfs/dbraw/zinc/56/82/60/227568260.db2.gz NMMIKIJRDKNSPM-ZETCQYMHSA-N 0 0 277.349 3.383 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)Cc1ccc2c(c1)NC(=O)C2 ZINC000329569260 227608733 /nfs/dbraw/zinc/60/87/33/227608733.db2.gz PSNQVNSVICBLQF-QWHCGFSZSA-N 0 0 283.331 3.022 10 30 CGEERN C[C@@H](NC(=O)CC#N)c1ccc(-c2ccccc2)cc1 ZINC000153539782 260704700 /nfs/dbraw/zinc/70/47/00/260704700.db2.gz VPPOHKYPMVYPML-CYBMUJFWSA-N 0 0 264.328 3.444 10 30 CGEERN Cc1cc(Cl)cc(C(=O)N[C@@H]2CCC[C@H]2C#N)c1 ZINC000130610649 264360592 /nfs/dbraw/zinc/36/05/92/264360592.db2.gz UDWGXKRDAIOOOT-GXFFZTMASA-N 0 0 262.740 3.071 10 30 CGEERN Cc1ccc([C@@H](C)NC(=O)c2cc(C#N)cs2)o1 ZINC000084168045 270043307 /nfs/dbraw/zinc/04/33/07/270043307.db2.gz IFJOAYWJPIYJEZ-SECBINFHSA-N 0 0 260.318 3.012 10 30 CGEERN N#CCOc1ccccc1C(=O)N1CCC[C@@H]1c1ccco1 ZINC000116045808 267121021 /nfs/dbraw/zinc/12/10/21/267121021.db2.gz HAHGDGZAYUOMHI-CQSZACIVSA-N 0 0 296.326 3.159 10 30 CGEERN C#CCCCCC(=O)N1CC=C(c2ccccc2)CC1 ZINC000119480638 267338361 /nfs/dbraw/zinc/33/83/61/267338361.db2.gz YBLZKFDODAHNJP-UHFFFAOYSA-N 0 0 267.372 3.496 10 30 CGEERN N#Cc1cc2c(nc1NCCc1ccc(N)cc1)CCCC2 ZINC000261951018 268025375 /nfs/dbraw/zinc/02/53/75/268025375.db2.gz NCUBOKYPFLVXSL-UHFFFAOYSA-N 0 0 292.386 3.069 10 30 CGEERN CC1(C)C[C@@H](Nc2cnc(C#N)cn2)c2ccccc2O1 ZINC000127185761 276143618 /nfs/dbraw/zinc/14/36/18/276143618.db2.gz UOAYVSPRWUVZNH-CYBMUJFWSA-N 0 0 280.331 3.063 10 30 CGEERN C[C@@H]1CCCC(=CNc2ccc3c(c2)OCO3)C1=O ZINC000103856552 277670891 /nfs/dbraw/zinc/67/08/91/277670891.db2.gz UHMAKKFDRQVDAF-MXBGMFSPSA-N 0 0 259.305 3.100 10 30 CGEERN Cc1ccc(C#N)cc1NC(=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000117634849 280759764 /nfs/dbraw/zinc/75/97/64/280759764.db2.gz OTZCSSMRCWLGFP-YVEFUNNKSA-N 0 0 292.338 3.370 10 30 CGEERN C[C@@H]1CN(c2cccc(Br)c2C#N)CCS1 ZINC000168599897 288263868 /nfs/dbraw/zinc/26/38/68/288263868.db2.gz JMGYCUZNKIRDQE-SECBINFHSA-N 0 0 297.221 3.262 10 30 CGEERN Cc1nc2ccc(NC(=O)N3C[C@H]4CCC[C@H]43)cc2o1 ZINC000329945682 293467267 /nfs/dbraw/zinc/46/72/67/293467267.db2.gz FXSQNTLLSXDBGS-ZWNOBZJWSA-N 0 0 271.320 3.166 10 30 CGEERN CC1CC(C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000564176284 322022458 /nfs/dbraw/zinc/02/24/58/322022458.db2.gz ZVSQQMOVONYONJ-UHFFFAOYSA-N 0 0 293.164 3.305 10 30 CGEERN C=CCOCCCC(=O)NC1CCC(CC)CC1 ZINC000173357365 329146211 /nfs/dbraw/zinc/14/62/11/329146211.db2.gz WZAPONQIPMNMMZ-UHFFFAOYSA-N 0 0 253.386 3.054 10 30 CGEERN C=CCOCCCC(=O)N[C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000182223049 329240973 /nfs/dbraw/zinc/24/09/73/329240973.db2.gz QHUWWEULNHDIKR-KSSFIOAISA-N 0 0 287.403 3.327 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1cccc(Cl)c1Cl ZINC000061888662 329681486 /nfs/dbraw/zinc/68/14/86/329681486.db2.gz PVVQNWBWRVUOMC-KWQFWETISA-N 0 0 283.158 3.415 10 30 CGEERN N#C[C@@]1(c2ccccc2Br)CCCOC1 ZINC000536949876 330382191 /nfs/dbraw/zinc/38/21/91/330382191.db2.gz GWEDPRUVOIOHAX-LBPRGKRZSA-N 0 0 266.138 3.021 10 30 CGEERN CC#CCNC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000121470185 330401755 /nfs/dbraw/zinc/40/17/55/330401755.db2.gz OZPJUJFWMRZPHL-HZPDHXFCSA-N 0 0 255.361 3.053 10 30 CGEERN CC(C)[C@H](O)CC(=O)NC1(C#N)CCC(C(C)(C)C)CC1 ZINC000183905258 333123408 /nfs/dbraw/zinc/12/34/08/333123408.db2.gz GWPXGTKTTFDRNX-XOYHFGRZSA-N 0 0 294.439 3.008 10 30 CGEERN C=CCOc1cccc(NC(=O)CNc2ccccc2)c1 ZINC000066193018 333616328 /nfs/dbraw/zinc/61/63/28/333616328.db2.gz UXYQVQJPDGFXMR-UHFFFAOYSA-N 0 0 282.343 3.302 10 30 CGEERN C=CC[C@@H](C)NC(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000127884350 333637294 /nfs/dbraw/zinc/63/72/94/333637294.db2.gz GVKAXONEKFGZQD-IAQYHMDHSA-N 0 0 276.355 3.467 10 30 CGEERN C=CCN(C)C(=O)N[C@H](C)c1ccccc1Br ZINC000153536208 334673199 /nfs/dbraw/zinc/67/31/99/334673199.db2.gz YBXWCWQIIXAQAX-SNVBAGLBSA-N 0 0 297.196 3.338 10 30 CGEERN CSc1ccc(C)c(C(=O)N[C@H]2CCC[C@H]2C#N)c1 ZINC000335754769 534191040 /nfs/dbraw/zinc/19/10/40/534191040.db2.gz QEILARWSDDAZOX-FZMZJTMJSA-N 0 0 274.389 3.139 10 30 CGEERN N#C[C@H]1CCC[C@H]1NCc1ccc(F)c(Br)c1 ZINC000061891286 518196411 /nfs/dbraw/zinc/19/64/11/518196411.db2.gz DSQAAUFLIMKZCW-ZWNOBZJWSA-N 0 0 297.171 3.370 10 30 CGEERN CC(C)C[C@H](C)N(C)c1ccc(/C(N)=N/O)cc1Cl ZINC000062794632 519313612 /nfs/dbraw/zinc/31/36/12/519313612.db2.gz WYAJNONCFQCIKG-JTQLQIEISA-N 0 0 283.803 3.305 10 30 CGEERN Cc1ccc2oc(=O)c(CC(=O)c3cccs3)nc2c1 ZINC000100478533 534429378 /nfs/dbraw/zinc/42/93/78/534429378.db2.gz AHGGCTKNSZDQPW-FLIBITNWSA-N 0 0 285.324 3.154 10 30 CGEERN CC(C)[C@H](C#N)C(=O)N[C@@H]1CCCc2sccc21 ZINC000061366872 519809048 /nfs/dbraw/zinc/80/90/48/519809048.db2.gz PAVOVASVGVXKNN-NWDGAFQWSA-N 0 0 262.378 3.037 10 30 CGEERN O=C(CS)Nc1ccc(Oc2ccccc2)cc1 ZINC000008701465 534644770 /nfs/dbraw/zinc/64/47/70/534644770.db2.gz VGOLAXVYOYCJGU-UHFFFAOYSA-N 0 0 259.330 3.347 10 30 CGEERN CC[C@H]1CO[C@@H](C)CN1[C@@H](CC#N)c1ccccc1 ZINC000055020342 523347198 /nfs/dbraw/zinc/34/71/98/523347198.db2.gz IGUNXRBVVYGDNS-BPUTZDHNSA-N 0 0 258.365 3.141 10 30 CGEERN C[C@@H](Cc1ccco1)Nc1ccc(OCC#N)cc1 ZINC000062769683 524929131 /nfs/dbraw/zinc/92/91/31/524929131.db2.gz GVTRYDCHPDBQQK-LBPRGKRZSA-N 0 0 256.305 3.225 10 30 CGEERN Cc1csc([C@H]2CCCN(c3nc(C)ccc3C#N)C2)n1 ZINC000160986972 526443607 /nfs/dbraw/zinc/44/36/07/526443607.db2.gz RSXPFTIGWBHFDO-AWEZNQCLSA-N 0 0 298.415 3.411 10 30 CGEERN N#Cc1ccc(CN[C@H](Cc2ccccc2)C(F)(F)F)o1 ZINC000130029209 526626155 /nfs/dbraw/zinc/62/61/55/526626155.db2.gz XDLNPWFRIUVACJ-CQSZACIVSA-N 0 0 294.276 3.414 10 30 CGEERN CC(C)(C)c1cnc(CNC(=O)[C@]2(C)CCCNC2=O)o1 ZINC000330305228 526814992 /nfs/dbraw/zinc/81/49/92/526814992.db2.gz KUOJAMBNWTUONN-OAHLLOKOSA-N 0 0 293.367 3.185 10 30 CGEERN CC(C)(C)c1cnc(CNC(=O)[C@@]2(C)CCCNC2=O)o1 ZINC000330305227 526815154 /nfs/dbraw/zinc/81/51/54/526815154.db2.gz KUOJAMBNWTUONN-HNNXBMFYSA-N 0 0 293.367 3.185 10 30 CGEERN CC(C)[C@H]1OCC[C@@H]1CNC(=O)C[C@H]1CCCCNC1=O ZINC000329497935 527912784 /nfs/dbraw/zinc/91/27/84/527912784.db2.gz JOCMUAJHHZIWFX-UMVBOHGHSA-N 0 0 296.411 3.151 10 30 CGEERN CC(C)[C@@H](C(=O)Nc1nnc2n1CCCC2)c1ccncc1 ZINC000329869102 528377660 /nfs/dbraw/zinc/37/76/60/528377660.db2.gz YINXUUHNJJVEPH-CQSZACIVSA-N 0 0 299.378 3.037 10 30 CGEERN CCC1(CNC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)CCC1 ZINC000330090364 529032989 /nfs/dbraw/zinc/03/29/89/529032989.db2.gz WSEYWBBYNWGBGM-TZMCWYRMSA-N 0 0 291.395 3.035 10 30 CGEERN COc1ccc(C#N)cc1CN1CCC[C@H]1c1ccco1 ZINC000120209846 536644229 /nfs/dbraw/zinc/64/42/29/536644229.db2.gz HVIXZAOHXUITRH-HNNXBMFYSA-N 0 0 282.343 3.497 10 30 CGEERN CC(C)(C)[C@@H](C#N)OC(=O)Cc1ccc2c(c1)CCC2 ZINC000184929943 625280483 /nfs/dbraw/zinc/28/04/83/625280483.db2.gz HJNZNROCTFJMKU-OAHLLOKOSA-N 0 0 271.360 3.199 10 30 CGEERN C[C@@H](OC(=O)/C=C\c1ccccc1C#N)C1CCC1 ZINC000255768101 618787011 /nfs/dbraw/zinc/78/70/11/618787011.db2.gz HXBPVWKDSDVXBB-ZWLSGLHFSA-N 0 0 255.317 3.303 10 30 CGEERN C#CCCCCC(=O)O[C@@H](C)Cc1ccc(OC)cc1 ZINC000180752084 618886393 /nfs/dbraw/zinc/88/63/93/618886393.db2.gz BZCCBKBIWQZDGK-AWEZNQCLSA-N 0 0 274.360 3.363 10 30 CGEERN N#C[C@H]1CCC[C@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000061891862 619281894 /nfs/dbraw/zinc/28/18/94/619281894.db2.gz JBGHVSSUSLUXCM-NOZJJQNGSA-N 0 0 279.727 3.030 10 30 CGEERN C[C@H](O)c1nc2ccccc2n1Cc1ccc(C#N)cc1F ZINC000192479416 620385108 /nfs/dbraw/zinc/38/51/08/620385108.db2.gz IVTJHNABJMNOOH-NSHDSACASA-N 0 0 295.317 3.149 10 30 CGEERN C=C(Br)COC(=O)[C@@H](C)c1ccc(OC)cc1 ZINC000171669999 623181937 /nfs/dbraw/zinc/18/19/37/623181937.db2.gz BWNQQJSRBWKLAJ-JTQLQIEISA-N 0 0 299.164 3.251 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000061891863 623185804 /nfs/dbraw/zinc/18/58/04/623185804.db2.gz JBGHVSSUSLUXCM-RNCFNFMXSA-N 0 0 279.727 3.030 10 30 CGEERN C=C(C)COC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000171770964 623189594 /nfs/dbraw/zinc/18/95/94/623189594.db2.gz CLUPIUHEFJAYMC-GHMZBOCLSA-N 0 0 252.260 3.188 10 30 CGEERN Cc1ccc([C@@H](CC=O)NC(=O)OC(C)(C)C)cc1 ZINC000238473870 624771512 /nfs/dbraw/zinc/77/15/12/624771512.db2.gz CURHGHBDSYUBKD-CYBMUJFWSA-N 0 0 263.337 3.150 10 30 CGEERN C#CCCCCNC(=O)N[C@H]1c2cc(C)ccc2C[C@H]1C ZINC000181452081 624860789 /nfs/dbraw/zinc/86/07/89/624860789.db2.gz JZIGSLVAEHJMGB-RHSMWYFYSA-N 0 0 284.403 3.331 10 30 CGEERN C#Cc1cccc(N(C)C(=O)Cc2ccc(C)s2)c1 ZINC000103029420 626202908 /nfs/dbraw/zinc/20/29/08/626202908.db2.gz WCOISFBWCXFMGN-UHFFFAOYSA-N 0 0 269.369 3.243 10 30 CGEERN C=CCc1cc(OCC)ccc1OC(=O)c1cscn1 ZINC000103329545 626329770 /nfs/dbraw/zinc/32/97/70/626329770.db2.gz LAQVMLVJWMBDKF-UHFFFAOYSA-N 0 0 289.356 3.490 10 30 CGEERN C[C@H](C#N)NC(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000106019066 636089879 /nfs/dbraw/zinc/08/98/79/636089879.db2.gz HBCZASBLQBQASJ-SNVBAGLBSA-N 0 0 286.281 3.274 10 30 CGEERN CCCCCCCCC(=O)N1[C@@H](C)COC[C@@H]1C ZINC000131331122 636627717 /nfs/dbraw/zinc/62/77/17/636627717.db2.gz DXBDNISZXAOLMB-KBPBESRZSA-N 0 0 255.402 3.373 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)Nc1ccccc1-c1ncco1 ZINC000826697330 638209510 /nfs/dbraw/zinc/20/95/10/638209510.db2.gz BTHOZZPNXYBKKE-DGCLKSJQSA-N 0 0 296.330 3.155 10 30 CGEERN C=CC[C@H](C)NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)CC ZINC000116862469 639176322 /nfs/dbraw/zinc/17/63/22/639176322.db2.gz NBNMBVZZAUDNFY-FRRDWIJNSA-N 0 0 298.427 3.007 10 30 CGEERN N#C[C@H](C(=O)[C@H]1C[C@@H]1C1CCCCC1)c1ccccn1 ZINC000076825131 640218953 /nfs/dbraw/zinc/21/89/53/640218953.db2.gz AHDBMUAMNMVGSG-ILXRZTDVSA-N 0 0 268.360 3.474 10 30 CGEERN CCCCCCCN1CCO[C@H](c2cnn(CC)c2)C1 ZINC000190735842 640265177 /nfs/dbraw/zinc/26/51/77/640265177.db2.gz AKYPOBUNMZAZSH-INIZCTEOSA-N 0 0 279.428 3.247 10 30 CGEERN COc1cccc([C@@H]2C[C@@H]2C(=O)[C@H](C#N)c2ccccn2)c1 ZINC000246374617 640672489 /nfs/dbraw/zinc/67/24/89/640672489.db2.gz SBTKHZLHZWIZSK-HRCADAONSA-N 0 0 292.338 3.070 10 30 CGEERN N#C[C@H](C(=O)[C@H]1C[C@H]1C1CCCCC1)c1ccccn1 ZINC000246462431 640675531 /nfs/dbraw/zinc/67/55/31/640675531.db2.gz AHDBMUAMNMVGSG-KKUMJFAQSA-N 0 0 268.360 3.474 10 30 CGEERN CCc1ccc(C(=O)/C=C\c2cn(C)nc2C)s1 ZINC000096569049 640832958 /nfs/dbraw/zinc/83/29/58/640832958.db2.gz CDSNCLKIVYTSRR-ALCCZGGFSA-N 0 0 260.362 3.249 10 30 CGEERN CC[C@@H](CC#N)OC(=O)/C=C(/C)c1cccc(F)c1 ZINC000588558187 799711545 /nfs/dbraw/zinc/71/15/45/799711545.db2.gz SVKOHTMOEKKOEX-FPAJZGIOSA-N 0 0 261.296 3.464 10 30 CGEERN C=CC(C)(C)CC[NH2+][C@H](C)c1ncc(C(=O)[O-])s1 ZINC000701908927 977052543 /nfs/dbraw/zinc/05/25/43/977052543.db2.gz SIKODNMZORCPLR-SECBINFHSA-N 0 0 268.382 3.094 10 30 CGEERN COc1ccc(/C=N/O)cc1OCc1ccc(F)cc1 ZINC000103847039 230393316 /nfs/dbraw/zinc/39/33/16/230393316.db2.gz VXNIMIMACUDAPW-RQZCQDPDSA-N 0 0 275.279 3.221 10 30 CGEERN CCOC(=O)[C@]1(C#N)C[C@@H]1c1ccc(Br)cc1 ZINC000095616833 185016002 /nfs/dbraw/zinc/01/60/02/185016002.db2.gz GITKMPNCZJGOCJ-YPMHNXCESA-N 0 0 294.148 3.009 10 30 CGEERN N#Cc1ncc(Br)c2c(F)cccc12 ZINC000082767451 178281642 /nfs/dbraw/zinc/28/16/42/178281642.db2.gz GUQMDQFOFVNYNB-UHFFFAOYSA-N 0 0 251.058 3.008 10 30 CGEERN N#Cc1ccccc1[C@H](C#N)c1ccc([N+](=O)[O-])cc1 ZINC000002031821 344857413 /nfs/dbraw/zinc/85/74/13/344857413.db2.gz VNCPQGUQCTZPRV-OAHLLOKOSA-N 0 0 263.256 3.122 10 30 CGEERN CCc1ccc(/C(=N/O)c2ccc(F)cc2)c(O)c1 ZINC000028759849 344914397 /nfs/dbraw/zinc/91/43/97/344914397.db2.gz RNAPCXODYKNWKT-BMRADRMJSA-N 0 0 259.280 3.320 10 30 CGEERN C#CCC(CC1CCCCC1)(C(=O)OCC)C(=O)OCC ZINC000036375951 344943883 /nfs/dbraw/zinc/94/38/83/344943883.db2.gz GPBCBMLNKZKLIA-UHFFFAOYSA-N 0 0 294.391 3.093 10 30 CGEERN Cc1cc(Br)ccc1C(=O)[C@H](C)C#N ZINC000036830459 344945077 /nfs/dbraw/zinc/94/50/77/344945077.db2.gz LXVZFBSNVKUZAA-MRVPVSSYSA-N 0 0 252.111 3.100 10 30 CGEERN CC[C@H](C#N)C(=O)c1ccc(Br)c(F)c1 ZINC000043577172 345001208 /nfs/dbraw/zinc/00/12/08/345001208.db2.gz ISKZJEJTQXMJJA-SSDOTTSWSA-N 0 0 270.101 3.321 10 30 CGEERN C[C@@H](C#N)Nc1cc(Br)ccc1Cl ZINC000061691128 345231071 /nfs/dbraw/zinc/23/10/71/345231071.db2.gz ADGUGWHYWGAVQF-LURJTMIESA-N 0 0 259.534 3.426 10 30 CGEERN C[C@H](C#N)NC(=O)c1ccccc1OCc1ccc(F)cc1 ZINC000068925000 345368106 /nfs/dbraw/zinc/36/81/06/345368106.db2.gz IXTAQOWPZSUBGO-GFCCVEGCSA-N 0 0 298.317 3.047 10 30 CGEERN CC(C)CCO[C@H]1CCN(c2ccc(F)cc2C#N)C1 ZINC000081027443 345696157 /nfs/dbraw/zinc/69/61/57/345696157.db2.gz AYZSBIZXYNUCHA-HNNXBMFYSA-N 0 0 276.355 3.339 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)c1cc2ccc(F)cc2s1 ZINC000093695683 345884951 /nfs/dbraw/zinc/88/49/51/345884951.db2.gz UVBJLBWEPIURSM-ZYHUDNBSSA-N 0 0 288.347 3.462 10 30 CGEERN C[C@H](NC(=O)c1ccc(C#N)cn1)c1cccc(Cl)c1 ZINC000107433018 345933955 /nfs/dbraw/zinc/93/39/55/345933955.db2.gz GFOCLTBTFGEIAP-JTQLQIEISA-N 0 0 285.734 3.098 10 30 CGEERN Cc1cc(C#N)cc(C)c1-n1cc(C(F)(F)F)cn1 ZINC000145422805 346120417 /nfs/dbraw/zinc/12/04/17/346120417.db2.gz NRKFOTBXDGLMTH-UHFFFAOYSA-N 0 0 265.238 3.380 10 30 CGEERN O=C(c1ccc(Br)s1)C1=COCCC1 ZINC000160014548 346169475 /nfs/dbraw/zinc/16/94/75/346169475.db2.gz DMLGRXCBEKJDGZ-UHFFFAOYSA-N 0 0 273.151 3.388 10 30 CGEERN CC#CCC[C@H](O)c1ccc(Br)s1 ZINC000160989317 346173657 /nfs/dbraw/zinc/17/36/57/346173657.db2.gz UGABQSWBNUOOCS-QMMMGPOBSA-N 0 0 259.168 3.348 10 30 CGEERN C=C(C)[C@H](NC)c1c(F)cccc1Br ZINC000165170530 346184157 /nfs/dbraw/zinc/18/41/57/346184157.db2.gz ZZYHKZKPVYWLDA-NSHDSACASA-N 0 0 258.134 3.425 10 30 CGEERN C[C@@H](OS(C)(=O)=O)c1ccc(Cl)c(Cl)c1 ZINC000166225561 346186238 /nfs/dbraw/zinc/18/62/38/346186238.db2.gz WZLXGLBNVNJCRZ-ZCFIWIBFSA-N 0 0 269.149 3.031 10 30 CGEERN C=CC[C@@H](O)c1ccncc1-c1ccc(C#N)c(OC)c1 ZINC000166784869 346187485 /nfs/dbraw/zinc/18/74/85/346187485.db2.gz LNMQUNCGYOJPKI-MRXNPFEDSA-N 0 0 280.327 3.238 10 30 CGEERN COc1cccc2c1oc1c(CC#N)cccc1c2=O ZINC000196910963 346277366 /nfs/dbraw/zinc/27/73/66/346277366.db2.gz DYJJUCCGCVUFHO-UHFFFAOYSA-N 0 0 265.268 3.021 10 30 CGEERN C[C@@H](S)C(=O)Nc1ccc(Cl)cc1Br ZINC000235297708 346335356 /nfs/dbraw/zinc/33/53/56/346335356.db2.gz URVJTNSATXCPED-RXMQYKEDSA-N 0 0 294.601 3.359 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NCc1ccc(F)cc1Br ZINC000230686427 346321485 /nfs/dbraw/zinc/32/14/85/346321485.db2.gz KCEGLTYHCVKMTQ-TVQRCGJNSA-N 0 0 297.171 3.370 10 30 CGEERN COC(=O)c1ccc(N=Cc2cccc(OC)c2)cc1 ZINC000257350949 346399372 /nfs/dbraw/zinc/39/93/72/346399372.db2.gz BENGWRZJZPTMIZ-UHFFFAOYSA-N 0 0 269.300 3.232 10 30 CGEERN CCOC(=O)[C@H](Nc1ccccc1)c1ccc(C#N)cc1 ZINC000098178826 185698300 /nfs/dbraw/zinc/69/83/00/185698300.db2.gz KTCITFJPJJKVNL-MRXNPFEDSA-N 0 0 280.327 3.275 10 30 CGEERN N#Cc1c(Br)cc(F)c(F)c1Br ZINC000306591287 346455518 /nfs/dbraw/zinc/45/55/18/346455518.db2.gz YLKUGBJHRJZCBZ-UHFFFAOYSA-N 0 0 296.896 3.361 10 30 CGEERN N#Cc1c(Cl)cccc1N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160642348 136551337 /nfs/dbraw/zinc/55/13/37/136551337.db2.gz URWRJHQLDSNPFV-WBMJQRKESA-N 0 0 290.794 3.343 10 30 CGEERN N#Cc1c(O)ccc(C(F)(F)F)c1C(F)(F)F ZINC000514260903 346635781 /nfs/dbraw/zinc/63/57/81/346635781.db2.gz BXDWSCBLTWSISR-UHFFFAOYSA-N 0 0 255.117 3.301 10 30 CGEERN N#C[C@@H](c1cncs1)[C@H](CCO)c1cc(F)ccc1F ZINC000584639343 346702358 /nfs/dbraw/zinc/70/23/58/346702358.db2.gz RGPIUFFMDBXXSN-ZYHUDNBSSA-N 0 0 294.326 3.195 10 30 CGEERN CCOC(=O)[C@](C#N)(CCC#N)c1ccc(C(C)C)cc1 ZINC000584595549 346687151 /nfs/dbraw/zinc/68/71/51/346687151.db2.gz ICHLKRQNMMFWIG-KRWDZBQOSA-N 0 0 284.359 3.438 10 30 CGEERN CCC[C@](C#N)(c1ccccc1)[C@@H](C)C(=O)OCC ZINC000584596634 346687581 /nfs/dbraw/zinc/68/75/81/346687581.db2.gz CJVCKYHIBOYLFX-XJKSGUPXSA-N 0 0 259.349 3.447 10 30 CGEERN C[C@@H](C=O)CCC(=O)c1ccc(Br)cc1 ZINC000584610608 346691987 /nfs/dbraw/zinc/69/19/87/346691987.db2.gz RJZNHEQDNTUQAV-SECBINFHSA-N 0 0 269.138 3.247 10 30 CGEERN C#C[C@@]1(O)CC[C@H]2[C@@H]3C[C@H]4[C@@H]5[C@H]4C(=O)CC[C@@H]5[C@H]3CC[C@@]21C ZINC000584635774 346700848 /nfs/dbraw/zinc/70/08/48/346700848.db2.gz UAPPXPDWBBERHE-YSAXPROBSA-N 0 0 298.426 3.038 10 30 CGEERN CC(C)(C)c1cccc(C(=O)N[C@@H]2CCC[C@H]2C#N)c1 ZINC000594306788 347169387 /nfs/dbraw/zinc/16/93/87/347169387.db2.gz VLCAALICMJNBSX-DZGCQCFKSA-N 0 0 270.376 3.406 10 30 CGEERN COc1cccc(/C=N/c2nc3ccccc3[nH]2)c1O ZINC000102717119 185788416 /nfs/dbraw/zinc/78/84/16/185788416.db2.gz PMNAZZUZSSQQNJ-CXUHLZMHSA-N 0 0 267.288 3.028 10 30 CGEERN COC(=O)N1c2ccccc2NC[C@H]1c1ccc(C#N)cc1 ZINC000616685843 348867946 /nfs/dbraw/zinc/86/79/46/348867946.db2.gz WVCFRGWSDMLPRV-INIZCTEOSA-N 0 0 293.326 3.298 10 30 CGEERN CCc1cccc(C)c1Nc1c(C#N)c(C)nn1C ZINC000104312406 185963923 /nfs/dbraw/zinc/96/39/23/185963923.db2.gz YULAAKXECDSEEH-UHFFFAOYSA-N 0 0 254.337 3.215 10 30 CGEERN C[C@@H]1C[C@H]1CN(C)c1c(C#N)cnc2ccccc21 ZINC000104422247 185995903 /nfs/dbraw/zinc/99/59/03/185995903.db2.gz RIDBEANCJDJJOE-NEPJUHHUSA-N 0 0 251.333 3.199 10 30 CGEERN C=CCN(C)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000155474985 188208951 /nfs/dbraw/zinc/20/89/51/188208951.db2.gz OWCUUKPQNQHADJ-ZDUSSCGKSA-N 0 0 274.364 3.116 10 30 CGEERN C=CCC(CC=C)C(=O)N[C@@H](C)COCc1ccccc1 ZINC000177182445 189034975 /nfs/dbraw/zinc/03/49/75/189034975.db2.gz SOYMNRIGGAQKIJ-HNNXBMFYSA-N 0 0 287.403 3.476 10 30 CGEERN CO[C@@H]1CCC[C@H](Nc2c(C#N)cnc3ccccc32)C1 ZINC000301757979 201180701 /nfs/dbraw/zinc/18/07/01/201180701.db2.gz FANIUMXPRURKHY-UONOGXRCSA-N 0 0 281.359 3.476 10 30 CGEERN Cc1nc(CNc2ccc(C#N)cc2[N+](=O)[O-])c(C)s1 ZINC000301828083 201220216 /nfs/dbraw/zinc/22/02/16/201220216.db2.gz FZTCWQHGJCEKAT-UHFFFAOYSA-N 0 0 288.332 3.152 10 30 CGEERN CC(C)COc1ccc(C2(C#N)CCOCC2)cc1 ZINC000034940499 368981474 /nfs/dbraw/zinc/98/14/74/368981474.db2.gz OEABGKMBZGSUAF-UHFFFAOYSA-N 0 0 259.349 3.293 10 30 CGEERN C[C@H](C#N)N1CCC(c2nc3ccccc3s2)CC1 ZINC000038608197 369147489 /nfs/dbraw/zinc/14/74/89/369147489.db2.gz GYRYQUGEBNNMIH-LLVKDONJSA-N 0 0 271.389 3.388 10 30 CGEERN CCC1CCC(Nc2ncc([N+](=O)[O-])cc2C#N)CC1 ZINC000048346379 369342907 /nfs/dbraw/zinc/34/29/07/369342907.db2.gz FKMYYIBNHOVANS-UHFFFAOYSA-N 0 0 274.324 3.242 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)Cc1cccc2ccccc21 ZINC000061889293 369610531 /nfs/dbraw/zinc/61/05/31/369610531.db2.gz PHUPLUKTTVDHTE-DOTOQJQBSA-N 0 0 278.355 3.191 10 30 CGEERN O=C(C#Cc1ccccc1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000081129651 369995051 /nfs/dbraw/zinc/99/50/51/369995051.db2.gz ZUHQWRCQDCKQFH-KGLIPLIRSA-N 0 0 295.304 3.275 10 30 CGEERN COC(=O)c1ccc(/N=C\c2ccc([N+](=O)[O-])cc2)cc1 ZINC000100200344 370273662 /nfs/dbraw/zinc/27/36/62/370273662.db2.gz KGELAANLLIAOIX-YBEGLDIGSA-N 0 0 284.271 3.132 10 30 CGEERN O=[N+]([O-])c1ccc(/C=N\c2cc([N+](=O)[O-])ccc2F)cc1 ZINC000100479892 370279984 /nfs/dbraw/zinc/27/99/84/370279984.db2.gz PRFCNGYBPOMYNU-NVNXTCNLSA-N 0 0 289.222 3.393 10 30 CGEERN C[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H]1C1CCC1 ZINC000102878036 370312821 /nfs/dbraw/zinc/31/28/21/370312821.db2.gz LJGDSSZAHMEDCQ-BBRMVZONSA-N 0 0 298.386 3.117 10 30 CGEERN N#Cc1ccsc1C(=O)N1CCC[C@H]1c1ccco1 ZINC000116044215 370545411 /nfs/dbraw/zinc/54/54/11/370545411.db2.gz SKINAJRESMYFEZ-NSHDSACASA-N 0 0 272.329 3.190 10 30 CGEERN C=CCN(C)C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000153690260 371779455 /nfs/dbraw/zinc/77/94/55/371779455.db2.gz CMRPHTVAPKVYKF-JTQLQIEISA-N 0 0 297.196 3.338 10 30 CGEERN C[C@@H]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(C#N)n2)C1 ZINC000300423403 373635451 /nfs/dbraw/zinc/63/54/51/373635451.db2.gz RDRXFFXHKIBHBC-MNOVXSKESA-N 0 0 274.324 3.100 10 30 CGEERN CC(C)n1ccnc1C[S@](=O)CCCC(C)(C)C#N ZINC000176894452 373639224 /nfs/dbraw/zinc/63/92/24/373639224.db2.gz ANWHJZIXXXEXCU-LJQANCHMSA-N 0 0 281.425 3.043 10 30 CGEERN C[C@H](Cc1cccc(F)c1)Nc1ncccc1C#N ZINC000301296314 373735440 /nfs/dbraw/zinc/73/54/40/373735440.db2.gz RYOYHOTVCOOPOE-LLVKDONJSA-N 0 0 255.296 3.135 10 30 CGEERN CNC(=O)c1cc(Cl)ccc1NCc1cccc(C#N)c1 ZINC000178277365 373760699 /nfs/dbraw/zinc/76/06/99/373760699.db2.gz MQMRMPYIWWVOJS-UHFFFAOYSA-N 0 0 299.761 3.183 10 30 CGEERN CCS[C@@H]1CC[C@]1(O)CNc1c(Cl)cccc1C#N ZINC000301503443 373781750 /nfs/dbraw/zinc/78/17/50/373781750.db2.gz YNDVPURJMIUDQA-OCCSQVGLSA-N 0 0 296.823 3.270 10 30 CGEERN CSc1ccc(Oc2ccc([N+](=O)[O-])c(C#N)n2)cc1 ZINC000302727911 373942008 /nfs/dbraw/zinc/94/20/08/373942008.db2.gz OTHBFRLPESPXAJ-UHFFFAOYSA-N 0 0 287.300 3.376 10 30 CGEERN O=C(N[C@H]1CCCO[C@@H]1c1ccncc1)C1CCCC1 ZINC000328657276 374375944 /nfs/dbraw/zinc/37/59/44/374375944.db2.gz ORQGGWYRPLOEPH-LSDHHAIUSA-N 0 0 274.364 3.448 10 30 CGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C[C@H]1CCCCC(=O)N1 ZINC000328771313 374380293 /nfs/dbraw/zinc/38/02/93/374380293.db2.gz GWTJJWKBNRJMTF-IOASZLSFSA-N 0 0 294.395 3.213 10 30 CGEERN CC(C)[C@H](O)C1(CNC(=O)C[C@H]2CCCCC(=O)N2)CC1 ZINC000328819694 374385527 /nfs/dbraw/zinc/38/55/27/374385527.db2.gz ONEYSPMERSFJBO-DOMZBBRYSA-N 0 0 296.411 3.029 10 30 CGEERN C=CCN(Cc1ccccc1)C(=O)[C@H]1CCCO[C@@H]1C ZINC000188514074 375225022 /nfs/dbraw/zinc/22/50/22/375225022.db2.gz IHEIAPRXTZISTE-ZBFHGGJFSA-N 0 0 273.376 3.016 10 30 CGEERN CC(C)n1ccnc1CSc1cc(C#N)ccn1 ZINC000195517443 376110312 /nfs/dbraw/zinc/11/03/12/376110312.db2.gz QVDFVUALPPGSLD-UHFFFAOYSA-N 0 0 258.350 3.023 10 30 CGEERN CCc1ccc([C@@H](C)NC(=O)c2ccnc(C#N)c2)cc1 ZINC000195029331 376070376 /nfs/dbraw/zinc/07/03/76/376070376.db2.gz WABHZNPMZDAYGO-GFCCVEGCSA-N 0 0 279.343 3.007 10 30 CGEERN CS[C@H]1CC[C@@H](Nc2cc(C)nc(C)c2C#N)C1 ZINC000227593964 376401800 /nfs/dbraw/zinc/40/18/00/376401800.db2.gz SLRVRJPIPOXALH-NEPJUHHUSA-N 0 0 261.394 3.266 10 30 CGEERN Cc1cc(NC2Cc3ccccc3C2)c(C#N)c(C)n1 ZINC000231039092 376553974 /nfs/dbraw/zinc/55/39/74/376553974.db2.gz MZQJRULQKSTPOC-UHFFFAOYSA-N 0 0 263.344 3.149 10 30 CGEERN CCCCC[C@H](C)Nc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000232967943 376591897 /nfs/dbraw/zinc/59/18/97/376591897.db2.gz RKYCRWJIRVTWHL-JTQLQIEISA-N 0 0 262.313 3.242 10 30 CGEERN C=C[C@H](CC(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccccc1 ZINC000248128962 377268567 /nfs/dbraw/zinc/26/85/67/377268567.db2.gz WCRGOVYYPNXVHW-SPUZQDLCSA-N 0 0 299.414 3.420 10 30 CGEERN C=C(C)[C@H](NC(=O)N[C@@H]1C[C@@H]1C)c1ccc(F)c(F)c1 ZINC000248507910 377332642 /nfs/dbraw/zinc/33/26/42/377332642.db2.gz ZDTAJRGUWBTWQO-FZZIBODNSA-N 0 0 280.318 3.290 10 30 CGEERN Cc1c(Cl)cccc1-c1ccc(C=Nn2cnnc2)o1 ZINC000254493157 377709975 /nfs/dbraw/zinc/70/99/75/377709975.db2.gz PIPBZUGZTIFYNV-UHFFFAOYSA-N 0 0 286.722 3.382 10 30 CGEERN OCc1cc(C(F)(F)F)c(F)cc1C(F)(F)F ZINC000575339799 377880715 /nfs/dbraw/zinc/88/07/15/377880715.db2.gz RKVOEUFLDNAYSE-UHFFFAOYSA-N 0 0 262.124 3.356 10 30 CGEERN COC(=O)c1cccc(C(=O)/C=C/c2ccccc2)c1 ZINC000575362448 377888720 /nfs/dbraw/zinc/88/87/20/377888720.db2.gz MMFYKXCZYQZOOJ-ZHACJKMWSA-N 0 0 266.296 3.369 10 30 CGEERN OCc1c(C(F)(F)F)ccc(F)c1C(F)(F)F ZINC000575380492 377891531 /nfs/dbraw/zinc/89/15/31/377891531.db2.gz JUNLJPNZWYEIOM-UHFFFAOYSA-N 0 0 262.124 3.356 10 30 CGEERN CCOC(=O)c1cc(OC(F)(F)F)c(Cl)cc1C#N ZINC000575382877 377893002 /nfs/dbraw/zinc/89/30/02/377893002.db2.gz MAELXNQZQNIVFZ-UHFFFAOYSA-N 0 0 293.628 3.287 10 30 CGEERN COC(=O)c1ccc(OC(F)(F)F)c(C#N)c1C(F)F ZINC000575387504 377896275 /nfs/dbraw/zinc/89/62/75/377896275.db2.gz PWCXHCXZHSONSV-UHFFFAOYSA-N 0 0 295.163 3.181 10 30 CGEERN CCOC(=O)c1cc(CC)c(C#N)cc1OC(F)(F)F ZINC000575388976 377896330 /nfs/dbraw/zinc/89/63/30/377896330.db2.gz OCYKGQJMGJPGOA-UHFFFAOYSA-N 0 0 287.237 3.196 10 30 CGEERN N#CCc1cc(OC(F)(F)F)cc(C#N)c1OC(F)F ZINC000575640913 377925470 /nfs/dbraw/zinc/92/54/70/377925470.db2.gz UKKOBKCRCWDIGE-UHFFFAOYSA-N 0 0 292.163 3.124 10 30 CGEERN CCOc1ccc(OCC)c(OC(F)F)c1CC#N ZINC000575649493 377927131 /nfs/dbraw/zinc/92/71/31/377927131.db2.gz NPBMUUZRMKKDJP-UHFFFAOYSA-N 0 0 271.263 3.151 10 30 CGEERN N#Cc1cc(F)c(OC(F)F)c(OC(F)(F)F)c1 ZINC000575660731 377937079 /nfs/dbraw/zinc/93/70/79/377937079.db2.gz VABNDOBNJWDXQU-UHFFFAOYSA-N 0 0 271.116 3.197 10 30 CGEERN COc1ccc(C(F)(F)F)c(CC#N)c1OC(F)F ZINC000575664894 377940742 /nfs/dbraw/zinc/94/07/42/377940742.db2.gz LWHPSZVVKSONHM-UHFFFAOYSA-N 0 0 281.180 3.381 10 30 CGEERN Cc1cc(OC(F)F)c(C#N)cc1C(F)(F)F ZINC000575664974 377940798 /nfs/dbraw/zinc/94/07/98/377940798.db2.gz OAGVPHDVTLLQPX-UHFFFAOYSA-N 0 0 251.154 3.487 10 30 CGEERN Cc1c(C#N)cc(OC(F)F)cc1C(F)(F)F ZINC000575664633 377941314 /nfs/dbraw/zinc/94/13/14/377941314.db2.gz JVQVTDWNZLEFIN-UHFFFAOYSA-N 0 0 251.154 3.487 10 30 CGEERN Cc1cc(C(F)(F)F)c(OC(F)F)cc1C#N ZINC000575665552 377941974 /nfs/dbraw/zinc/94/19/74/377941974.db2.gz QHRSJDIEJLCCOD-UHFFFAOYSA-N 0 0 251.154 3.487 10 30 CGEERN N#CCc1cc(C(F)(F)F)c([N+](=O)[O-])cc1OC(F)F ZINC000575668769 377945863 /nfs/dbraw/zinc/94/58/63/377945863.db2.gz WWTOFQBVWXEZLS-UHFFFAOYSA-N 0 0 296.151 3.281 10 30 CGEERN CCOC(=O)c1cc(C(F)(F)F)cc(OCC)c1C#N ZINC000575671767 377948321 /nfs/dbraw/zinc/94/83/21/377948321.db2.gz WZWPWJVGUDRIRZ-UHFFFAOYSA-N 0 0 287.237 3.152 10 30 CGEERN CCOC(=O)c1c(C)ccc(C(F)(F)F)c1C#N ZINC000575394444 377902272 /nfs/dbraw/zinc/90/22/72/377902272.db2.gz IFCFRUQCSWAVJQ-UHFFFAOYSA-N 0 0 257.211 3.062 10 30 CGEERN COC(=O)Cc1ccc(C#N)c(SC(F)(F)F)c1C ZINC000575395715 377903865 /nfs/dbraw/zinc/90/38/65/377903865.db2.gz MZCINVLRMDYQRH-UHFFFAOYSA-N 0 0 289.278 3.194 10 30 CGEERN Fc1c(F)c(OC(F)(F)F)ccc1OC(F)F ZINC000575396799 377903914 /nfs/dbraw/zinc/90/39/14/377903914.db2.gz SFMDDPUZEGDUOI-UHFFFAOYSA-N 0 0 264.096 3.465 10 30 CGEERN C[C@@H]1C[C@H](C)C[C@@](C#N)(NC(=O)OC(C)(C)C)C1 ZINC000575496973 377914623 /nfs/dbraw/zinc/91/46/23/377914623.db2.gz QGPQUJBIECNMSW-YABSGUDNSA-N 0 0 252.358 3.230 10 30 CGEERN C[C@H]1CCCCC[C@]1(C#N)NC(=O)OC(C)(C)C ZINC000575496129 377915112 /nfs/dbraw/zinc/91/51/12/377915112.db2.gz DTEYHHOSUMILDR-SMDDNHRTSA-N 0 0 252.358 3.374 10 30 CGEERN N#CCc1c(O)cc(C(F)F)cc1Br ZINC000575686995 377961889 /nfs/dbraw/zinc/96/18/89/377961889.db2.gz SQYDLBWPFPACNO-UHFFFAOYSA-N 0 0 262.053 3.158 10 30 CGEERN N#CCc1c(Br)c(O)ccc1OC(F)(F)F ZINC000575692640 377968391 /nfs/dbraw/zinc/96/83/91/377968391.db2.gz YURBXIFJNGZKOW-UHFFFAOYSA-N 0 0 296.042 3.119 10 30 CGEERN N#Cc1cc(-c2ccc(OC(F)F)cc2)c(F)cn1 ZINC000584628802 378395351 /nfs/dbraw/zinc/39/53/51/378395351.db2.gz SHVMNKJXVFFZSQ-UHFFFAOYSA-N 0 0 264.206 3.361 10 30 CGEERN CCCCOc1ccc(/C=C/C(=O)NO)cc1Cl ZINC000584627447 378395471 /nfs/dbraw/zinc/39/54/71/378395471.db2.gz VZQHAOFXFCYXMI-FNORWQNLSA-N 0 0 269.728 3.038 10 30 CGEERN O=C1c2ccccc2CC[C@]12O[C@@H]2c1ccccc1 ZINC000000159814 169558395 /nfs/dbraw/zinc/55/83/95/169558395.db2.gz KEGOBJMZUSOZFM-SJORKVTESA-N 0 0 250.297 3.326 10 30 CGEERN COCC1(CNC(=O)[C@@H]2CCCC(=O)N2)CCCCC1 ZINC000329548203 542447036 /nfs/dbraw/zinc/44/70/36/542447036.db2.gz HRDXFQAPKMGNAH-LBPRGKRZSA-N 0 0 282.384 3.049 10 30 CGEERN CCn1cc(NC(=O)[C@H]2C[C@]23CCOc2ccccc23)cn1 ZINC000329734676 542448877 /nfs/dbraw/zinc/44/88/77/542448877.db2.gz RNEWEYXWILBIRX-PBHICJAKSA-N 0 0 297.358 3.231 10 30 CGEERN C[C@@H](C#N)Nc1cc(Cl)cc(Br)c1 ZINC000306498756 392639062 /nfs/dbraw/zinc/63/90/62/392639062.db2.gz GQXCVOKXJFIXLH-LURJTMIESA-N 0 0 259.534 3.426 10 30 CGEERN C[C@H](CC(=O)N[C@@H]1CCC[C@@H]1C#N)C1CCCCC1 ZINC000408327548 392972071 /nfs/dbraw/zinc/97/20/71/392972071.db2.gz BYCZVKPNADDMCZ-BPLDGKMQSA-N 0 0 262.397 3.401 10 30 CGEERN Cc1ccc(SCCC(=O)N[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000360328731 393563776 /nfs/dbraw/zinc/56/37/76/393563776.db2.gz HBAIORNVXGNCOP-UKRRQHHQSA-N 0 0 288.416 3.286 10 30 CGEERN COC(=O)c1ccc(C#Cc2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000521401734 397711032 /nfs/dbraw/zinc/71/10/32/397711032.db2.gz OCFSZJBQRPBJPY-UHFFFAOYSA-N 0 0 295.294 3.090 10 30 CGEERN N#Cc1ccc(C(=O)N2CCC[C@@H](c3nccs3)C2)cc1 ZINC000171646077 165515525 /nfs/dbraw/zinc/51/55/25/165515525.db2.gz DJDMXZAFKHZFRX-CQSZACIVSA-N 0 0 297.383 3.035 10 30 CGEERN Cc1ccc(C=NNc2cccc([N+](=O)[O-])c2)s1 ZINC000004921391 170041276 /nfs/dbraw/zinc/04/12/76/170041276.db2.gz JEDYQQCTALFJQN-MDWZMJQESA-N 0 0 261.306 3.411 10 30 CGEERN N#Cc1cc2c(nc1[S@](=O)Cc1ccccc1)CCCC2 ZINC000005027622 170057973 /nfs/dbraw/zinc/05/79/73/170057973.db2.gz XKBSDBNYNNLYGB-NRFANRHFSA-N 0 0 296.395 3.140 10 30 CGEERN Cc1ccc(NN=Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000005339629 170087545 /nfs/dbraw/zinc/08/75/45/170087545.db2.gz JBLDETJEJMDHQF-XNTDXEJSSA-N 0 0 255.277 3.349 10 30 CGEERN N#Cc1ccccc1Sc1cccc(N)c1C#N ZINC000005933866 170157418 /nfs/dbraw/zinc/15/74/18/170157418.db2.gz HZXBXUYNSPXXOH-UHFFFAOYSA-N 0 0 251.314 3.163 10 30 in-vivo CGEERN CC(=O)Nc1ccc(C=NNc2ccc(F)cc2)cc1 ZINC000006674954 170225202 /nfs/dbraw/zinc/22/52/02/170225202.db2.gz KWCSDWLXTSVMGP-LICLKQGHSA-N 0 0 271.295 3.230 10 30 CGEERN CC[C@H]1CCCC1N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000006707810 170230891 /nfs/dbraw/zinc/23/08/91/170230891.db2.gz VNJLMDBDALTVLB-ZQQXWWNKSA-N 0 0 292.295 3.481 10 30 CGEERN C=CCNC(=S)Nc1cccc(NC(=O)C(C)(C)C)c1 ZINC000014569319 170637935 /nfs/dbraw/zinc/63/79/35/170637935.db2.gz RHAJWBIYCWPPER-UHFFFAOYSA-N 0 0 291.420 3.144 10 30 CGEERN N#Cc1cccc(NC(=O)CCOC2CCCCC2)c1 ZINC000019847171 170896175 /nfs/dbraw/zinc/89/61/75/170896175.db2.gz TYBCIVYABFOKSO-UHFFFAOYSA-N 0 0 272.348 3.236 10 30 CGEERN N/C(=N\O)c1ccccc1CSc1cccs1 ZINC000020078219 170985505 /nfs/dbraw/zinc/98/55/05/170985505.db2.gz QMACKWSSNWXRIC-UHFFFAOYSA-N 0 0 264.375 3.135 10 30 CGEERN CCCc1nc(N)c(C#N)c(-c2ccc(OC)cc2)c1C ZINC000032265682 171722642 /nfs/dbraw/zinc/72/26/42/171722642.db2.gz KGNFYZGGNMMRAB-UHFFFAOYSA-N 0 0 281.359 3.472 10 30 CGEERN C[C@H](O)c1cccc(OCc2ccc(C#N)cc2F)c1 ZINC000035199450 172044741 /nfs/dbraw/zinc/04/47/41/172044741.db2.gz HYYPVYJRADKTIH-NSHDSACASA-N 0 0 271.291 3.330 10 30 CGEERN CN(C)/C=C\C(=O)c1cnc(-c2ccccc2)s1 ZINC000035386609 172168910 /nfs/dbraw/zinc/16/89/10/172168910.db2.gz DCELCFQVBBHIMU-HJWRWDBZSA-N 0 0 258.346 3.068 10 30 CGEERN COc1cc([C@H](C#N)C(=O)c2ccoc2)ccc1C ZINC000036931373 172811594 /nfs/dbraw/zinc/81/15/94/172811594.db2.gz GERFEKFFQVSEJK-ZDUSSCGKSA-N 0 0 255.273 3.087 10 30 CGEERN N#Cc1ccccc1OCc1cc(N)ccc1Cl ZINC000036964834 172832915 /nfs/dbraw/zinc/83/29/15/172832915.db2.gz FWWNHYBUOUYMII-UHFFFAOYSA-N 0 0 258.708 3.373 10 30 CGEERN CC(C)c1ccc([C@@H](C#N)C(=O)[C@H]2CCCO2)cc1 ZINC000037347951 173144001 /nfs/dbraw/zinc/14/40/01/173144001.db2.gz XDYRQZAQSKNUAU-HUUCEWRRSA-N 0 0 257.333 3.165 10 30 CGEERN CCC(C#N)(CC)S(=O)(=O)c1ccc(C)c(C)c1 ZINC000037934630 173875382 /nfs/dbraw/zinc/87/53/82/173875382.db2.gz MBIQIOCTLBNNOC-UHFFFAOYSA-N 0 0 265.378 3.160 10 30 CGEERN CSc1ccc([C@@H](C#N)NCC(F)(F)F)cc1 ZINC000037970847 173921673 /nfs/dbraw/zinc/92/16/73/173921673.db2.gz UOGKCDDRGZWSHO-SNVBAGLBSA-N 0 0 260.284 3.125 10 30 CGEERN N#Cc1ccc(Oc2cccc3c2NCCC3)nc1 ZINC000038068069 174079986 /nfs/dbraw/zinc/07/99/86/174079986.db2.gz SXVYKJPDCQHAGT-UHFFFAOYSA-N 0 0 251.289 3.104 10 30 CGEERN CC(C)Oc1ccc2ccccc2c1C#CCCO ZINC000038077835 174087864 /nfs/dbraw/zinc/08/78/64/174087864.db2.gz XHXPPNCYKMHEIU-UHFFFAOYSA-N 0 0 254.329 3.361 10 30 CGEERN N#C[C@]1(N2CCCCCC2)CCc2ccccc2C1 ZINC000038086299 174097543 /nfs/dbraw/zinc/09/75/43/174097543.db2.gz SFFDDYQGPSWVPS-KRWDZBQOSA-N 0 0 254.377 3.314 10 30 CGEERN C=CCN(CC=C)C(=O)Cn1c2ccccc2nc1C1CC1 ZINC000040231700 174210577 /nfs/dbraw/zinc/21/05/77/174210577.db2.gz GISIXHQCWQDFOD-UHFFFAOYSA-N 0 0 295.386 3.114 10 30 CGEERN N#Cc1ccc(Cn2cc(CO)c3ccccc32)cc1 ZINC000077009413 177145430 /nfs/dbraw/zinc/14/54/30/177145430.db2.gz YNZZLZLWNQIBRZ-UHFFFAOYSA-N 0 0 262.312 3.054 10 30 CGEERN C[C@H](C1CC1)n1cc(NC(=O)N2CC[C@H]3CCC[C@@H]32)cn1 ZINC000330251370 228080653 /nfs/dbraw/zinc/08/06/53/228080653.db2.gz NNUMRCRVCGTFRI-KYOSRNDESA-N 0 0 288.395 3.274 10 30 CGEERN CC1(C)CCC[C@H](CC(=O)N[C@@H]2CCC[C@@H]2C#N)C1 ZINC000407995399 260159830 /nfs/dbraw/zinc/15/98/30/260159830.db2.gz IZSUFPGNVLSWLV-MGPQQGTHSA-N 0 0 262.397 3.401 10 30 CGEERN O=C(N[C@@H]1CCC(=O)NC12CCC2)[C@H]1CCCCS1 ZINC000328713052 263848629 /nfs/dbraw/zinc/84/86/29/263848629.db2.gz BVSQDQDTAOZFAA-GHMZBOCLSA-N 0 0 282.409 3.270 10 30 CGEERN CCC[C@H]1C[C@@H]1Nc1c(C#N)nnc2ccccc21 ZINC000231661914 266080781 /nfs/dbraw/zinc/08/07/81/266080781.db2.gz WAVCMIIDNFUALA-GWCFXTLKSA-N 0 0 252.321 3.102 10 30 CGEERN Cc1cc(N)cc(CNc2nc(C)cc(C)c2C#N)c1 ZINC000398729991 267333515 /nfs/dbraw/zinc/33/35/15/267333515.db2.gz GFNJSOPPEJFHGJ-UHFFFAOYSA-N 0 0 266.348 3.073 10 30 CGEERN CCCC#C[C@@](O)(c1cc(Cl)ccc1N)C(F)(F)F ZINC000504301485 276222928 /nfs/dbraw/zinc/22/29/28/276222928.db2.gz OJMQFWMVICHYJA-GFCCVEGCSA-N 0 0 291.700 3.476 10 30 CGEERN CC(C)c1nc2c(n1C)CCN(c1ccc(F)cc1C#N)C2 ZINC000266337141 278075985 /nfs/dbraw/zinc/07/59/85/278075985.db2.gz HSMDZGLLLLJCBW-UHFFFAOYSA-N 0 0 298.365 3.117 10 30 CGEERN N[C@@H](c1ccc(F)c(C(F)(F)F)c1)C(F)(F)F ZINC000072195545 295296079 /nfs/dbraw/zinc/29/60/79/295296079.db2.gz KTNMOVWRPUNAPN-ZETCQYMHSA-N 0 0 261.140 3.407 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1ccc2sccc2c1 ZINC000336570099 327876249 /nfs/dbraw/zinc/87/62/49/327876249.db2.gz GPYMELBZKNSZFM-QWHCGFSZSA-N 0 0 270.357 3.323 10 30 CGEERN C#CCCCNC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000178003070 329191502 /nfs/dbraw/zinc/19/15/02/329191502.db2.gz PSVPUMVXGAYZOJ-CQSZACIVSA-N 0 0 286.375 3.001 10 30 CGEERN CN1CCOc2ccc(N[C@H]3CCC[C@@H](C#N)C3)cc21 ZINC000249052797 329904113 /nfs/dbraw/zinc/90/41/13/329904113.db2.gz XXERXXAHNHMLLV-OLZOCXBDSA-N 0 0 271.364 3.009 10 30 CGEERN COCCNc1ccc(-c2ccccc2C=O)cc1C#N ZINC000536956382 330383130 /nfs/dbraw/zinc/38/31/30/330383130.db2.gz YXSNTPYOWCSFRQ-UHFFFAOYSA-N 0 0 280.327 3.096 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000253180413 334420750 /nfs/dbraw/zinc/42/07/50/334420750.db2.gz DOVDKNASVZXGRR-BJDJZHNGSA-N 0 0 288.313 3.164 10 30 CGEERN CC[C@@H](C)[C@@H](C(=O)N[C@@H](C)CC#N)c1ccccc1 ZINC000050391349 522277717 /nfs/dbraw/zinc/27/77/17/522277717.db2.gz VTZUOXBIBRUNGN-VNHYZAJKSA-N 0 0 258.365 3.235 10 30 CGEERN CC(C)[C@@H](C)Nc1ncc(Br)cc1C#N ZINC000309030855 519792473 /nfs/dbraw/zinc/79/24/73/519792473.db2.gz BMXFAEZHQOTFSI-MRVPVSSYSA-N 0 0 268.158 3.172 10 30 CGEERN CCC[C@](C)(Nc1ccc(Cl)cc1C#N)C(=O)OC ZINC000052859310 521285846 /nfs/dbraw/zinc/28/58/46/521285846.db2.gz MYJXGSRMSSGXMK-AWEZNQCLSA-N 0 0 280.755 3.355 10 30 CGEERN COC[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000103358160 522179568 /nfs/dbraw/zinc/17/95/68/522179568.db2.gz DCMHFSMYHDETBU-SNVBAGLBSA-N 0 0 292.404 3.110 10 30 CGEERN CN(Cc1ccccn1)[C@@H](CC#N)c1ccccc1 ZINC000055020171 523395938 /nfs/dbraw/zinc/39/59/38/523395938.db2.gz LAAJONOIQOKZRE-INIZCTEOSA-N 0 0 251.333 3.168 10 30 CGEERN COc1ccc(CN(C)c2cc(C)nc(C)c2C#N)cc1 ZINC000156557414 524010756 /nfs/dbraw/zinc/01/07/56/524010756.db2.gz LOPXCCPDAZRMPB-UHFFFAOYSA-N 0 0 281.359 3.215 10 30 CGEERN Cc1cc(N(C)Cc2ccc(F)cc2)c(C#N)c(C)n1 ZINC000156556403 525029505 /nfs/dbraw/zinc/02/95/05/525029505.db2.gz OVANJBMMGVCNNU-UHFFFAOYSA-N 0 0 269.323 3.346 10 30 CGEERN Cc1cc(NC[C@]2(C)CCCS2)c(C#N)c(C)n1 ZINC000157464615 525276674 /nfs/dbraw/zinc/27/66/74/525276674.db2.gz OLUMXFOSIQGNGF-AWEZNQCLSA-N 0 0 261.394 3.268 10 30 CGEERN Cc1ccc(C#N)cc1Nc1nc(Cl)nc(Cl)n1 ZINC000061519126 526008656 /nfs/dbraw/zinc/00/86/56/526008656.db2.gz MLYHSEVGANKBOB-UHFFFAOYSA-N 0 0 280.118 3.102 10 30 CGEERN NN=C(Cc1cccc(Cl)c1)Nc1ccccc1 ZINC000052945634 526816428 /nfs/dbraw/zinc/81/64/28/526816428.db2.gz SCDRGRYGPMCCBM-UHFFFAOYSA-N 0 0 259.740 3.267 10 30 CGEERN C=CCSCCNC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109094749 526998445 /nfs/dbraw/zinc/99/84/45/526998445.db2.gz KILOGECAENYBBB-NWDGAFQWSA-N 0 0 297.370 3.104 10 30 CGEERN CC(C)c1nc([C@@H]2CCCN2C(=O)N[C@@H]2CC2(C)C)no1 ZINC000330237469 528307137 /nfs/dbraw/zinc/30/71/37/528307137.db2.gz HQSJHDNJTALYHF-WDEREUQCSA-N 0 0 292.383 3.042 10 30 CGEERN CC1(NC(=O)C[C@@H]2CCCCNC2=O)CCCC1 ZINC000329824987 528831950 /nfs/dbraw/zinc/83/19/50/528831950.db2.gz HZXKJXAQKFWZCG-NSHDSACASA-N 0 0 252.358 3.422 10 30 CGEERN CC[C@H](C)C(=O)SCC[C@H](S)CCCCC(N)=O ZINC000016343191 571740006 /nfs/dbraw/zinc/74/00/06/571740006.db2.gz UFNCWFSSEGPJNL-WDEREUQCSA-N 0 0 291.482 3.027 10 30 endogenous,in-man CGEERN Cc1ccc([C@@]2(C=O)C[C@@H](F)C2)cc1Br ZINC000725259047 567916955 /nfs/dbraw/zinc/91/69/55/567916955.db2.gz TTZVGDUVJUCUSQ-KLPPZKSPSA-N 0 0 271.129 3.326 10 30 CGEERN N#CCC(=O)N[C@H]1CCCOc2c3ccccc3ccc21 ZINC000169807420 571857528 /nfs/dbraw/zinc/85/75/28/571857528.db2.gz GDZIOZIKYGQDAU-HNNXBMFYSA-N 0 0 280.327 3.083 10 30 CGEERN CCCCCCCCC(=O)N1CCCC[C@H]1C(=O)OC ZINC000110823655 620528478 /nfs/dbraw/zinc/52/84/78/620528478.db2.gz COUJTHFNCXHZAQ-AWEZNQCLSA-N 0 0 283.412 3.291 10 30 CGEERN C#CCC(C)(C)C(=O)N[C@H]1c2cc(C)ccc2C[C@H]1C ZINC000186027258 625505538 /nfs/dbraw/zinc/50/55/38/625505538.db2.gz ZFZJLJQGAFHTAL-CZUORRHYSA-N 0 0 269.388 3.394 10 30 CGEERN C#CCOc1ccc(F)cc1NCc1cc(F)ccc1O ZINC000180309309 624735801 /nfs/dbraw/zinc/73/58/01/624735801.db2.gz YCHGGXCYLBDZBI-UHFFFAOYSA-N 0 0 289.281 3.295 10 30 CGEERN C#CCCCCNC(=O)NC1CCC(CC)CC1 ZINC000119212581 629456954 /nfs/dbraw/zinc/45/69/54/629456954.db2.gz BXHVRLDLAGEELM-UHFFFAOYSA-N 0 0 250.386 3.058 10 30 CGEERN Cc1cc(C(=O)N[C@H](C)C#N)c(C)n1-c1ccccc1C ZINC000125779262 634791591 /nfs/dbraw/zinc/79/15/91/634791591.db2.gz CCHMAWDGMYFUJV-GFCCVEGCSA-N 0 0 281.359 3.044 10 30 CGEERN C#CCCCC(=O)O[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000191249614 640298030 /nfs/dbraw/zinc/29/80/30/640298030.db2.gz APTCZJDNRFTDPS-ZIAGYGMSSA-N 0 0 264.365 3.071 10 30 CGEERN CCOc1ccc(O)c(/C=N/[C@@H]2COc3ccccc32)c1 ZINC000194595562 640543736 /nfs/dbraw/zinc/54/37/36/640543736.db2.gz JQRBQVGXHNYADQ-BFERYNQYSA-N 0 0 283.327 3.344 10 30 CGEERN N#C[C@H](COC(=O)[C@@H]1C[C@H]1C1CC1)Cc1ccc(F)cc1 ZINC000246100287 640656820 /nfs/dbraw/zinc/65/68/20/640656820.db2.gz IIFZATLSJPDJDY-UHOFOFEASA-N 0 0 287.334 3.097 10 30 CGEERN CCOc1cccc(/C=N\Cc2ccc(Cl)cn2)c1O ZINC000588384512 799686115 /nfs/dbraw/zinc/68/61/15/799686115.db2.gz PJVBZPRBXGZDQU-IUXPMGMMSA-N 0 0 290.750 3.458 10 30 CGEERN Fc1cc2cccnc2c(CON=C2CCCOCC2)c1 ZINC000588398700 799688298 /nfs/dbraw/zinc/68/82/98/799688298.db2.gz RVXFFHDUGOKMMT-UHFFFAOYSA-N 0 0 288.322 3.447 10 30 CGEERN C=C(C)COC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588445240 799695270 /nfs/dbraw/zinc/69/52/70/799695270.db2.gz WHBSBPAZIXAENI-FLIBITNWSA-N 0 0 261.277 3.117 10 30 CGEERN CC#CCCCCOC(=O)/C=C\c1cncc(C)c1 ZINC000588478196 799699631 /nfs/dbraw/zinc/69/96/31/799699631.db2.gz LYLDVUSDOIPZIN-HJWRWDBZSA-N 0 0 257.333 3.140 10 30 CGEERN CCN(C)c1ccc(C(=O)/C=C\c2cocn2)cc1 ZINC000588579375 799716776 /nfs/dbraw/zinc/71/67/76/799716776.db2.gz RPLFKHKUQAMDMU-TWGQIWQCSA-N 0 0 256.305 3.027 10 30 CGEERN C=CC[N@H+](Cc1cc(C(=O)[O-])cs1)C(C)(C)C ZINC000711407833 977544386 /nfs/dbraw/zinc/54/43/86/977544386.db2.gz RMVJBBJFJLCJPS-UHFFFAOYSA-N 0 0 253.367 3.233 10 30 CGEERN CC(C)(C)OC(=O)[C@@H](C#N)c1cncc(C(F)(F)F)c1 ZINC000095642751 185017252 /nfs/dbraw/zinc/01/72/52/185017252.db2.gz ASXOLQVDNCEIKI-JTQLQIEISA-N 0 0 286.253 3.049 10 30 CGEERN CC(C)c1ccc([C@H]2C[C@@H]2C(=O)N=C2NCCS2)cc1 ZINC000095755643 185026663 /nfs/dbraw/zinc/02/66/63/185026663.db2.gz OZTVENAPWSHGCD-KGLIPLIRSA-N 0 0 288.416 3.133 10 30 CGEERN Cn1cccc1/C=C\C(=O)c1cc2ccccc2oc1=O ZINC000096854302 185116950 /nfs/dbraw/zinc/11/69/50/185116950.db2.gz SNZUFVUHVKPIJO-HJWRWDBZSA-N 0 0 279.295 3.028 10 30 CGEERN C[C@@H](C(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C)n1cccc1 ZINC000328612472 295691204 /nfs/dbraw/zinc/69/12/04/295691204.db2.gz OTPOKDJNIPVADO-MJBXVCDLSA-N 0 0 278.396 3.457 10 30 CGEERN O=C(C#Cc1ccccc1)C(F)(F)C(F)(F)C(F)(F)F ZINC000039402313 344959692 /nfs/dbraw/zinc/95/96/92/344959692.db2.gz JLQHDTDAQBOUBB-UHFFFAOYSA-N 0 0 298.157 3.440 10 30 CGEERN N#C[C@@H](c1cc(Br)cs1)N1CCCC1 ZINC000041678565 344972487 /nfs/dbraw/zinc/97/24/87/344972487.db2.gz MEMUZGKCSWTXKI-VIFPVBQESA-N 0 0 271.183 3.171 10 30 CGEERN N#Cc1cccc(COCCCc2ccncc2)c1 ZINC000034958545 344941244 /nfs/dbraw/zinc/94/12/44/344941244.db2.gz NJHQKXGTEYYODK-UHFFFAOYSA-N 0 0 252.317 3.103 10 30 CGEERN CC[C@@H](C#N)C(=O)c1ccc(Br)cc1 ZINC000036916004 344945467 /nfs/dbraw/zinc/94/54/67/344945467.db2.gz BPIOZGYARIWRHK-QMMMGPOBSA-N 0 0 252.111 3.182 10 30 CGEERN C#CCNc1ccc(Br)cc1Br ZINC000050522123 345083183 /nfs/dbraw/zinc/08/31/83/345083183.db2.gz NVDMNJCRDMVNGU-UHFFFAOYSA-N 0 0 288.970 3.257 10 30 CGEERN N#Cc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1F ZINC000091483116 345816231 /nfs/dbraw/zinc/81/62/31/345816231.db2.gz WGQAEUNOSYEIHD-UHFFFAOYSA-N 0 0 258.208 3.398 10 30 CGEERN CC(C)(C)Oc1cc(CNc2ccc(C#N)cn2)ccn1 ZINC000091674796 345820379 /nfs/dbraw/zinc/82/03/79/345820379.db2.gz PARCQNOTGCATDO-UHFFFAOYSA-N 0 0 282.347 3.138 10 30 CGEERN C[C@H](NC(=O)c1cc(C#N)cn1C)c1ccc(Cl)s1 ZINC000092978405 345865589 /nfs/dbraw/zinc/86/55/89/345865589.db2.gz ZRXJKAQTTJOHNY-QMMMGPOBSA-N 0 0 293.779 3.103 10 30 CGEERN Cc1ccc(C(=O)C[C@@H](C)C#N)c(Br)c1 ZINC000129677679 346050960 /nfs/dbraw/zinc/05/09/60/346050960.db2.gz IQQSWKSTPJCLDG-SECBINFHSA-N 0 0 266.138 3.490 10 30 CGEERN CSc1ccc([C@H](O)C#CC2(O)CCCCC2)cc1 ZINC000138240032 346095553 /nfs/dbraw/zinc/09/55/53/346095553.db2.gz SDLMZSNQSGJRHG-OAHLLOKOSA-N 0 0 276.401 3.141 10 30 CGEERN N#CCC(=O)c1cccc(Br)c1Cl ZINC000160400066 346170860 /nfs/dbraw/zinc/17/08/60/346170860.db2.gz CYBJDGIHURXYPY-UHFFFAOYSA-N 0 0 258.502 3.199 10 30 CGEERN O=CCCOCCOCCc1cccc2ccccc21 ZINC000166208687 346186153 /nfs/dbraw/zinc/18/61/53/346186153.db2.gz BLGJKSYWDMVKKS-UHFFFAOYSA-N 0 0 272.344 3.005 10 30 CGEERN CC[C@@H](C#N)[C@H](O)c1cc(Br)c(C)s1 ZINC000227987738 346312604 /nfs/dbraw/zinc/31/26/04/346312604.db2.gz DZIWNDWCJUBDMS-XVKPBYJWSA-N 0 0 274.183 3.402 10 30 CGEERN N#C[C@H]1CCC[C@H]1NCc1ccc(F)cc1Br ZINC000230686431 346321348 /nfs/dbraw/zinc/32/13/48/346321348.db2.gz KCEGLTYHCVKMTQ-NOZJJQNGSA-N 0 0 297.171 3.370 10 30 CGEERN Cc1ccc2nc(Br)sc2c1C#N ZINC000238533342 346349660 /nfs/dbraw/zinc/34/96/60/346349660.db2.gz OQDQSJDWUYUUQK-UHFFFAOYSA-N 0 0 253.124 3.239 10 30 CGEERN C=C[C@H](C)Nc1ccc(I)cc1 ZINC000235537264 346336307 /nfs/dbraw/zinc/33/63/07/346336307.db2.gz FGFAUBJECZLLOD-QMMMGPOBSA-N 0 0 273.117 3.278 10 30 CGEERN CC#C[C@@H](O)c1ccc(Cl)c(Br)c1 ZINC000306459563 346454111 /nfs/dbraw/zinc/45/41/11/346454111.db2.gz DNNMTAJTSQSXJK-SNVBAGLBSA-N 0 0 259.530 3.159 10 30 CGEERN C=C(C)C[C@@H]([NH3+])c1cccc(Br)c1[O-] ZINC000306864209 346458617 /nfs/dbraw/zinc/45/86/17/346458617.db2.gz KYEZJPKRSJKYNU-SNVBAGLBSA-N 0 0 256.143 3.121 10 30 CGEERN CC[C@H](S)C(=O)Nc1ccccc1Br ZINC000307606162 346464171 /nfs/dbraw/zinc/46/41/71/346464171.db2.gz CQPYLDVSMJLKJK-VIFPVBQESA-N 0 0 274.183 3.096 10 30 CGEERN C[C@H](Nc1cc(C#N)ncn1)c1cccc(Cl)c1 ZINC000310607583 346471493 /nfs/dbraw/zinc/47/14/93/346471493.db2.gz AKLRIYDIBPEARN-VIFPVBQESA-N 0 0 258.712 3.175 10 30 CGEERN N#Cc1cc(Br)ccc1N1CCC2(CC2)C1 ZINC000400384434 346589561 /nfs/dbraw/zinc/58/95/61/346589561.db2.gz LBBHQSUSZGUUAZ-UHFFFAOYSA-N 0 0 277.165 3.311 10 30 CGEERN C#C[C@H]1c2ccsc2CCN1C(=O)OC(C)(C)C ZINC000409429633 346604941 /nfs/dbraw/zinc/60/49/41/346604941.db2.gz CXORCCPCDJEWCM-NSHDSACASA-N 0 0 263.362 3.216 10 30 CGEERN CC(C)(C)OC(=O)N1CCc2cc(Cl)ccc2[C@@H]1C=O ZINC000584644967 346703402 /nfs/dbraw/zinc/70/34/02/346703402.db2.gz BLWNUQJQZQPREZ-ZDUSSCGKSA-N 0 0 295.766 3.373 10 30 CGEERN N#Cc1cc(Cl)cc(Oc2c(=O)[nH]cnc2C2CC2)c1 ZINC000584646378 346703929 /nfs/dbraw/zinc/70/39/29/346703929.db2.gz PMKDSYFNYQHTPK-UHFFFAOYSA-N 0 0 287.706 3.377 10 30 CGEERN N#Cc1ccccc1C[C@H](C#N)c1ccccc1C#N ZINC000584595841 346687018 /nfs/dbraw/zinc/68/70/18/346687018.db2.gz CQTRAEYQGULLTK-MRXNPFEDSA-N 0 0 257.296 3.280 10 30 CGEERN N#C[C@H](c1ccccc1)[C@@H](CCO)c1c(F)cncc1F ZINC000584636842 346700927 /nfs/dbraw/zinc/70/09/27/346700927.db2.gz HFYNEXTVTZWHJS-CHWSQXEVSA-N 0 0 288.297 3.133 10 30 CGEERN N#C[C@@H]1CCCC[C@H]1NCc1nc2c(s1)CCCC2 ZINC000597196493 347550672 /nfs/dbraw/zinc/55/06/72/347550672.db2.gz DNYHVNCNJGWJNS-NWDGAFQWSA-N 0 0 275.421 3.194 10 30 CGEERN N#C[C@@H]1CCCC[C@H]1NCc1cccnc1C(F)(F)F ZINC000599465966 347746975 /nfs/dbraw/zinc/74/69/75/347746975.db2.gz WTUZENJZKJVHMZ-CMPLNLGQSA-N 0 0 283.297 3.272 10 30 CGEERN CCOCCN(CC)c1cc(Cl)ccc1C#N ZINC000104190926 185922882 /nfs/dbraw/zinc/92/28/82/185922882.db2.gz VSPAOEPQASDCGB-UHFFFAOYSA-N 0 0 252.745 3.074 10 30 CGEERN COc1ccc(-c2nc(Cl)ccc2C#N)cc1OC ZINC000616589219 348837669 /nfs/dbraw/zinc/83/76/69/348837669.db2.gz HEFVLELXLLTWPA-UHFFFAOYSA-N 0 0 274.707 3.291 10 30 CGEERN N#Cc1ccccc1[C@@H]1CCc2ccccc2N1CCO ZINC000616593884 348838616 /nfs/dbraw/zinc/83/86/16/348838616.db2.gz MDIDKCOXAWYBTD-SFHVURJKSA-N 0 0 278.355 3.044 10 30 CGEERN COc1ccc(Nc2cc(C)nc(C)c2C#N)cc1OC ZINC000133747814 187704692 /nfs/dbraw/zinc/70/46/92/187704692.db2.gz RDSIAVHZIPMAQC-UHFFFAOYSA-N 0 0 283.331 3.331 10 30 CGEERN C=CCCCN(C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000172348350 188797210 /nfs/dbraw/zinc/79/72/10/188797210.db2.gz SWDVWUPUJXJZJD-CQSZACIVSA-N 0 0 274.364 3.118 10 30 CGEERN N#Cc1cc(C(F)(F)F)ccc1NC1CCC(O)CC1 ZINC000093327084 283092855 /nfs/dbraw/zinc/09/28/55/283092855.db2.gz WVRZXPCLBPOVGX-UHFFFAOYSA-N 0 0 284.281 3.292 10 30 CGEERN CCn1ccnc1COc1cc(Cl)cc(C#N)c1 ZINC000310940210 138583187 /nfs/dbraw/zinc/58/31/87/138583187.db2.gz WADQNZQDVNMYIE-UHFFFAOYSA-N 0 0 261.712 3.007 10 30 CGEERN C#CCN(C)C(=O)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000191172922 542258913 /nfs/dbraw/zinc/25/89/13/542258913.db2.gz DMWSRPJAPZKRCA-JKSUJKDBSA-N 0 0 255.361 3.005 10 30 CGEERN CO[C@@H](C)c1nc(CN(C)c2ccc(C#N)cc2)cs1 ZINC000301522424 201044958 /nfs/dbraw/zinc/04/49/58/201044958.db2.gz DSKNSNNJMZHHGB-NSHDSACASA-N 0 0 287.388 3.359 10 30 CGEERN CC(C)OC(=O)c1ccc(Oc2cccc(C#N)n2)cc1 ZINC000301874079 201243707 /nfs/dbraw/zinc/24/37/07/201243707.db2.gz XRMNFHIESBGORP-UHFFFAOYSA-N 0 0 282.299 3.311 10 30 CGEERN CC(=O)Nc1c(C)cc(Nc2cccc(C#N)n2)cc1C ZINC000301880763 201245161 /nfs/dbraw/zinc/24/51/61/201245161.db2.gz ZSQSEIOGSRYEIF-UHFFFAOYSA-N 0 0 280.331 3.272 10 30 CGEERN CC(=O)c1ccc(C#N)cc1N1C[C@@H]2CC=CC[C@H]2C1 ZINC000302111354 201345377 /nfs/dbraw/zinc/34/53/77/201345377.db2.gz PPMAQIUTZWTZMC-GJZGRUSLSA-N 0 0 266.344 3.163 10 30 CGEERN C=C[C@](C)(CC)C(=O)N[C@@H](C)COCc1ccccc1 ZINC000188462134 189503973 /nfs/dbraw/zinc/50/39/73/189503973.db2.gz MGMSGDMSWICPHZ-WMLDXEAASA-N 0 0 275.392 3.310 10 30 CGEERN C=CCc1cc(OC)ccc1OC(=O)[C@@H]1CCCO[C@H]1C ZINC000192193657 189615816 /nfs/dbraw/zinc/61/58/16/189615816.db2.gz CSJXLPFZVFBZTN-SWLSCSKDSA-N 0 0 290.359 3.144 10 30 CGEERN CCC[C@@]1(COC)CCCN1c1cccc(F)c1C#N ZINC000302820529 201566046 /nfs/dbraw/zinc/56/60/46/201566046.db2.gz JSQLYLQSWLUWTL-INIZCTEOSA-N 0 0 276.355 3.483 10 30 CGEERN CCOC(=O)c1cccc(Oc2c(C#N)cccc2C#N)c1 ZINC000302857101 201577538 /nfs/dbraw/zinc/57/75/38/201577538.db2.gz SGUKDMNCXRIIMG-UHFFFAOYSA-N 0 0 292.294 3.399 10 30 CGEERN COc1cccc(/C=N\c2ccc(N(C)C(C)=O)cc2)c1O ZINC000000493564 368379053 /nfs/dbraw/zinc/37/90/53/368379053.db2.gz GCPKQRUBUYVPFP-WQRHYEAKSA-N 0 0 298.342 3.134 10 30 CGEERN OCCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F ZINC000002530940 368462380 /nfs/dbraw/zinc/46/23/80/368462380.db2.gz UJCNFCSCLGBVAN-UHFFFAOYSA-N 0 0 278.114 3.432 10 30 CGEERN O=[N+]([O-])c1ccc(/C=N\c2cccc([N+](=O)[O-])c2)cc1 ZINC000003067857 368489453 /nfs/dbraw/zinc/48/94/53/368489453.db2.gz DMOOLFPEWSJQAV-ZROIWOOFSA-N 0 0 271.232 3.254 10 30 CGEERN CCCCCCCCCCCCOC[C@@H](O)CO ZINC000014236469 368679709 /nfs/dbraw/zinc/67/97/09/368679709.db2.gz GBXRUYNQDDTQQS-HNNXBMFYSA-N 0 0 260.418 3.277 10 30 CGEERN O=CCOc1ccccc1-c1ccc(F)c(F)c1F ZINC000014971084 368687568 /nfs/dbraw/zinc/68/75/68/368687568.db2.gz SHBOZVYTDQJORM-UHFFFAOYSA-N 0 0 266.218 3.349 10 30 CGEERN Cc1ccccc1[C@H](C)NC(=O)c1ccc(C#N)cc1 ZINC000017963502 368736576 /nfs/dbraw/zinc/73/65/76/368736576.db2.gz WWKMQWRTLOXHSW-ZDUSSCGKSA-N 0 0 264.328 3.358 10 30 CGEERN CCC(C)(C)N=C(NC#N)Nc1cc(C)nc2ccccc21 ZINC000033855511 368969394 /nfs/dbraw/zinc/96/93/94/368969394.db2.gz HRDNXJXHMMYKHR-UHFFFAOYSA-N 0 0 295.390 3.380 10 30 CGEERN COc1ccc(/C=N/[S@@](=O)c2ccc(C)cc2)cc1 ZINC000033960831 368971136 /nfs/dbraw/zinc/97/11/36/368971136.db2.gz WUMBSVXGWAXNSK-KZIRBZLESA-N 0 0 273.357 3.145 10 30 CGEERN COc1cccc(/C=N\NC(=S)Nc2ccc(C)cc2)c1 ZINC000033322868 368961888 /nfs/dbraw/zinc/96/18/88/368961888.db2.gz HVMJRJLGDFCTMY-BOPFTXTBSA-N 0 0 299.399 3.324 10 30 CGEERN C/C(CS)=N/OC(=O)c1c(C)onc1-c1ccccc1 ZINC000033374145 368963965 /nfs/dbraw/zinc/96/39/65/368963965.db2.gz ILSJVDAQPJBZHG-DHDCSXOGSA-N 0 0 290.344 3.113 10 30 CGEERN N#CCCC(=O)c1ccc(Br)cc1F ZINC000036303575 369015477 /nfs/dbraw/zinc/01/54/77/369015477.db2.gz IUENZZZHGMFIEN-UHFFFAOYSA-N 0 0 256.074 3.075 10 30 CGEERN CCOC(=O)[C@@]1(CCCc2ccccc2)OC1(C)C ZINC000040818118 369164670 /nfs/dbraw/zinc/16/46/70/369164670.db2.gz XEUPCIRNFOZUKM-MRXNPFEDSA-N 0 0 262.349 3.120 10 30 CGEERN Cc1ccc2oc(C(=O)N[C@@H]3CCC[C@@H]3C#N)cc2c1 ZINC000061888259 369609711 /nfs/dbraw/zinc/60/97/11/369609711.db2.gz VCXPPZIAJCHZLV-DGCLKSJQSA-N 0 0 268.316 3.163 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NCc1cc(Br)cs1 ZINC000061891765 369610839 /nfs/dbraw/zinc/61/08/39/369610839.db2.gz LROPSNSHVZYUEG-KWQFWETISA-N 0 0 285.210 3.292 10 30 CGEERN O=C(OCCCC(F)(F)C(F)(F)F)C(F)(F)F ZINC000103542412 370331991 /nfs/dbraw/zinc/33/19/91/370331991.db2.gz YKJVKASZDXWHFD-UHFFFAOYSA-N 0 0 274.107 3.070 10 30 CGEERN C=CCC(CC=C)C(=O)N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000131352542 371101287 /nfs/dbraw/zinc/10/12/87/371101287.db2.gz BGWDVIXKCUYMIV-MRXNPFEDSA-N 0 0 287.407 3.123 10 30 CGEERN C[C@H]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000235599454 189829261 /nfs/dbraw/zinc/82/92/61/189829261.db2.gz OXJPSLPFNBCRDN-WDEREUQCSA-N 0 0 274.324 3.100 10 30 CGEERN C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000133568571 371263455 /nfs/dbraw/zinc/26/34/55/371263455.db2.gz OHCKWGURDORXPO-HNNXBMFYSA-N 0 0 273.380 3.232 10 30 CGEERN C=CCNC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000151251501 371586894 /nfs/dbraw/zinc/58/68/94/371586894.db2.gz JHXUDNZDCAMASA-AWEZNQCLSA-N 0 0 286.375 3.308 10 30 CGEERN C[C@@H]1C[C@@H](CNc2nc(Cl)c(C#N)s2)C[C@H](C)O1 ZINC000287548656 371671041 /nfs/dbraw/zinc/67/10/41/371671041.db2.gz BXAQDMLAJIOQPP-AYMMMOKOSA-N 0 0 285.800 3.284 10 30 CGEERN N#Cc1ccc(N2CC[C@H](CNc3ccccn3)C2)c(F)c1 ZINC000171364819 372743647 /nfs/dbraw/zinc/74/36/47/372743647.db2.gz VENFLRMDOGWGMM-CQSZACIVSA-N 0 0 296.349 3.031 10 30 CGEERN N#Cc1cnc(CN2CCCC3(CCCCC3)CC2)nc1 ZINC000333129356 205054684 /nfs/dbraw/zinc/05/46/84/205054684.db2.gz ASJZNFJDDANRPF-UHFFFAOYSA-N 0 0 284.407 3.285 10 30 CGEERN N#Cc1ccc(CNC(=O)[C@@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000172748651 373025977 /nfs/dbraw/zinc/02/59/77/373025977.db2.gz DRNGPSNGRZOOTP-IAGOWNOFSA-N 0 0 282.387 3.391 10 30 CGEERN C=CCO[C@H]1CCN(c2ccc(-c3ccc(F)cc3)nn2)C1 ZINC000302146676 373822419 /nfs/dbraw/zinc/82/24/19/373822419.db2.gz KYCHENMVOROWPD-HNNXBMFYSA-N 0 0 299.349 3.064 10 30 CGEERN Cc1ccc(CN(C)c2ncccc2C#N)cc1F ZINC000302735668 373946492 /nfs/dbraw/zinc/94/64/92/373946492.db2.gz WJWHMWPGUKMBIG-UHFFFAOYSA-N 0 0 255.296 3.037 10 30 CGEERN Cc1ccc(Sc2ccc([N+](=O)[O-])c(C#N)n2)cc1 ZINC000302747694 373950554 /nfs/dbraw/zinc/95/05/54/373950554.db2.gz UBBIXRVMGSLSQU-UHFFFAOYSA-N 0 0 271.301 3.321 10 30 CGEERN C[C@@H](c1ccccc1)N(C)c1ccc([N+](=O)[O-])c(C#N)n1 ZINC000302723937 373940702 /nfs/dbraw/zinc/94/07/02/373940702.db2.gz MQQJMALTKSZCPD-NSHDSACASA-N 0 0 282.303 3.059 10 30 CGEERN N#Cc1nc(Oc2ccc(F)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000302721210 373940739 /nfs/dbraw/zinc/94/07/39/373940739.db2.gz LIGDFVNGRLWQME-UHFFFAOYSA-N 0 0 293.641 3.446 10 30 CGEERN C[C@@H]1CC[C@]2(CCN(c3c(C#N)cccc3C#N)C2)C1 ZINC000302887783 373998156 /nfs/dbraw/zinc/99/81/56/373998156.db2.gz NZRQPXIWDMTMEX-DYVFJYSZSA-N 0 0 265.360 3.446 10 30 CGEERN CC[C@H](NC(=O)[C@H]1CCc2n[nH]nc2C1)c1cccs1 ZINC000328916640 374392863 /nfs/dbraw/zinc/39/28/63/374392863.db2.gz ANZAXXYJBJPMPL-UWVGGRQHSA-N 0 0 290.392 3.079 10 30 CGEERN O=C(NC[C@@H]1C[C@H]1C1CCCCC1)[C@@H]1CNC(=O)C1 ZINC000329354754 374407139 /nfs/dbraw/zinc/40/71/39/374407139.db2.gz VNTOKVNHORBVPI-AVGNSLFASA-N 0 0 264.369 3.136 10 30 CGEERN Cc1nc(-c2cccc(NC(=O)N3C[C@H]4CCC[C@@H]43)c2)no1 ZINC000329927855 374442451 /nfs/dbraw/zinc/44/24/51/374442451.db2.gz LYLVXCIFZDSDBW-OCCSQVGLSA-N 0 0 298.346 3.075 10 30 CGEERN C[C@H]1OCC[C@H]1NC(=O)N[C@@H]1CCCC[C@H]1C(C)(C)C ZINC000330178729 374449397 /nfs/dbraw/zinc/44/93/97/374449397.db2.gz LVDDMCSIKSXWFY-AAVRWANBSA-N 0 0 282.428 3.272 10 30 CGEERN Cc1nc([C@@H]2CCCN2C(=O)C#Cc2ccccc2)cs1 ZINC000187065012 374963790 /nfs/dbraw/zinc/96/37/90/374963790.db2.gz FTLCINDAOBZKLQ-INIZCTEOSA-N 0 0 296.395 3.167 10 30 CGEERN C=C[C@](C)(CC)C(=O)N[C@H]1CCOc2ccccc21 ZINC000188177019 375171719 /nfs/dbraw/zinc/17/17/19/375171719.db2.gz NBHMOVHZFQAJOO-XJKSGUPXSA-N 0 0 259.349 3.229 10 30 CGEERN C=C[C@](C)(CC)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000189880544 375455464 /nfs/dbraw/zinc/45/54/64/375455464.db2.gz PMFZIYBEYHPTFX-SJKOYZFVSA-N 0 0 289.375 3.237 10 30 CGEERN C=CCN(Cc1cccs1)C(=O)[C@@H]1CCCO[C@@H]1C ZINC000191678878 375651497 /nfs/dbraw/zinc/65/14/97/375651497.db2.gz VGAXLAUFBWVQBE-TZMCWYRMSA-N 0 0 279.405 3.078 10 30 CGEERN C(#Cc1ccccc1)C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000192028733 375690417 /nfs/dbraw/zinc/69/04/17/375690417.db2.gz RRDYRNMDSAJLCM-MRXNPFEDSA-N 0 0 251.329 3.468 10 30 CGEERN C=C(C)[C@@H]1CSC(N(C(C)=O)c2ccccc2)=N1 ZINC000196398142 376119257 /nfs/dbraw/zinc/11/92/57/376119257.db2.gz BWOUZJWUSRPCCW-ZDUSSCGKSA-N 0 0 260.362 3.087 10 30 CGEERN CC1=C2CCN(C(=O)OC(C)(C)C)C[C@@H]2[C@H](C)CC1=O ZINC000223348920 376251820 /nfs/dbraw/zinc/25/18/20/376251820.db2.gz DPKUCKKWQFUGSJ-ZWNOBZJWSA-N 0 0 279.380 3.169 10 30 CGEERN CCC[C@@H]1C[C@@H]1Nc1nnc(CC)c(CC)c1C#N ZINC000229734598 376469140 /nfs/dbraw/zinc/46/91/40/376469140.db2.gz QQFRVDQDGQHZHB-YGRLFVJLSA-N 0 0 258.369 3.074 10 30 CGEERN C=CCOc1c(Cl)cc(C=NOC(C)=O)cc1Cl ZINC000254488267 377707800 /nfs/dbraw/zinc/70/78/00/377707800.db2.gz CAIFIXLHXDAOGK-UHFFFAOYSA-N 0 0 288.130 3.455 10 30 CGEERN Cc1nc(C#N)cc(-c2ccccc2Br)n1 ZINC000259457074 377803756 /nfs/dbraw/zinc/80/37/56/377803756.db2.gz WMTWSKBVECPHGO-UHFFFAOYSA-N 0 0 274.121 3.086 10 30 CGEERN CCOC(=O)Cc1c(CC)cc(C#N)cc1C(F)(F)F ZINC000575389578 377897738 /nfs/dbraw/zinc/89/77/38/377897738.db2.gz KJXOPGCEBJWXNZ-UHFFFAOYSA-N 0 0 285.265 3.245 10 30 CGEERN CCOC(=O)Cc1cc(C#N)cc(CC)c1C(F)(F)F ZINC000575389836 377897827 /nfs/dbraw/zinc/89/78/27/377897827.db2.gz RBRNCZHWZLRKKK-UHFFFAOYSA-N 0 0 285.265 3.245 10 30 CGEERN CCOC(=O)c1c(C#N)cc(O)cc1SC(F)(F)F ZINC000575392351 377900056 /nfs/dbraw/zinc/90/00/56/377900056.db2.gz UXYMLCJNRGBKHH-UHFFFAOYSA-N 0 0 291.250 3.052 10 30 CGEERN CCOC(=O)c1c(C#N)ccc(CC)c1C(F)F ZINC000575389877 377898121 /nfs/dbraw/zinc/89/81/21/377898121.db2.gz SKZPEPJACVDGMP-UHFFFAOYSA-N 0 0 253.248 3.235 10 30 CGEERN CCOC(=O)c1c(F)ccc(SC(F)(F)F)c1C#N ZINC000575390616 377898406 /nfs/dbraw/zinc/89/84/06/377898406.db2.gz GDBYJWBPVYGVCV-UHFFFAOYSA-N 0 0 293.241 3.486 10 30 CGEERN CCOC(=O)c1c(F)ccc(C#N)c1SC(F)(F)F ZINC000575390623 377898654 /nfs/dbraw/zinc/89/86/54/377898654.db2.gz GZRRQIWYOJGTBZ-UHFFFAOYSA-N 0 0 293.241 3.486 10 30 CGEERN COC(=O)c1c(C#N)ccc(C(F)F)c1C(F)(F)F ZINC000575343695 377883744 /nfs/dbraw/zinc/88/37/44/377883744.db2.gz BPNBIRIGWJUKCS-UHFFFAOYSA-N 0 0 279.164 3.301 10 30 CGEERN CCOC(=O)c1cc(CC)cc(C#N)c1OC(F)(F)F ZINC000575388975 377896239 /nfs/dbraw/zinc/89/62/39/377896239.db2.gz OCHSSSYOIDQIRR-UHFFFAOYSA-N 0 0 287.237 3.196 10 30 CGEERN CCOc1cc(CC#N)cc(C(F)(F)F)c1C#N ZINC000575643984 377925987 /nfs/dbraw/zinc/92/59/87/377925987.db2.gz VTVRGEBYKQTTML-UHFFFAOYSA-N 0 0 254.211 3.042 10 30 CGEERN COc1cc(C(F)F)c(CC#N)cc1OC(F)F ZINC000575652525 377929679 /nfs/dbraw/zinc/92/96/79/377929679.db2.gz RNOZPODOJFCZKN-UHFFFAOYSA-N 0 0 263.190 3.300 10 30 CGEERN N#CCc1cc([N+](=O)[O-])c(OC(F)F)cc1C(F)F ZINC000575652777 377930586 /nfs/dbraw/zinc/93/05/86/377930586.db2.gz KPHPQEABNAMQQW-UHFFFAOYSA-N 0 0 278.161 3.200 10 30 CGEERN COc1c(C(F)(F)F)ccc(CC#N)c1OC(F)F ZINC000575664801 377940943 /nfs/dbraw/zinc/94/09/43/377940943.db2.gz LDBKDIBARNTMHN-UHFFFAOYSA-N 0 0 281.180 3.381 10 30 CGEERN Cc1c(OC(F)F)cc(C#N)cc1OC(F)(F)F ZINC000575666618 377944079 /nfs/dbraw/zinc/94/40/79/377944079.db2.gz WDXYCOJRKKPLQK-UHFFFAOYSA-N 0 0 267.153 3.367 10 30 CGEERN N#Cc1c([N+](=O)[O-])cc(OC(F)F)cc1C(F)(F)F ZINC000575667072 377944296 /nfs/dbraw/zinc/94/42/96/377944296.db2.gz NUTUACWCCLHONW-UHFFFAOYSA-N 0 0 282.124 3.087 10 30 CGEERN CCOc1cc(C#N)c(OC(F)(F)F)cc1CC ZINC000575672040 377948499 /nfs/dbraw/zinc/94/84/99/377948499.db2.gz VCWJPVGFXFEWPC-UHFFFAOYSA-N 0 0 259.227 3.418 10 30 CGEERN Cc1cc(CC#N)c(OC(F)F)cc1Br ZINC000575682915 377957050 /nfs/dbraw/zinc/95/70/50/377957050.db2.gz GFMXVHUWUZKOHS-UHFFFAOYSA-N 0 0 276.080 3.425 10 30 CGEERN N#CCc1cc(Cl)cc(Br)c1[N+](=O)[O-] ZINC000575678731 377952417 /nfs/dbraw/zinc/95/24/17/377952417.db2.gz UEXRJEFDVBZATK-UHFFFAOYSA-N 0 0 275.489 3.077 10 30 CGEERN N#Cc1ccc(OC(F)F)c(Cl)c1OC(F)F ZINC000575678251 377952448 /nfs/dbraw/zinc/95/24/48/377952448.db2.gz YAJSMKKMYBIGJP-UHFFFAOYSA-N 0 0 269.581 3.414 10 30 CGEERN COC(=O)Cc1cc(C#N)c(SC(F)(F)F)cc1C ZINC000575395892 377903290 /nfs/dbraw/zinc/90/32/90/377903290.db2.gz VAOCETQGTAXBKX-UHFFFAOYSA-N 0 0 289.278 3.194 10 30 CGEERN COc1c(/C=N/O)cc(Cl)c(C)c1Br ZINC000575423462 377908051 /nfs/dbraw/zinc/90/80/51/377908051.db2.gz VONCKGRMFOSQJA-UUILKARUSA-N 0 0 278.533 3.228 10 30 CGEERN N#Cc1cc(Br)c(F)c(OC(F)F)c1 ZINC000575680318 377954991 /nfs/dbraw/zinc/95/49/91/377954991.db2.gz MULHVUQBQFLBBI-UHFFFAOYSA-N 0 0 266.016 3.061 10 30 CGEERN C=C(Cl)CNc1c(N)cccc1Br ZINC000575494298 377914602 /nfs/dbraw/zinc/91/46/02/377914602.db2.gz WXAXGXXUIWDXCC-UHFFFAOYSA-N 0 0 261.550 3.196 10 30 CGEERN COc1ccc(OC(F)F)c(Br)c1CC#N ZINC000575684321 377959351 /nfs/dbraw/zinc/95/93/51/377959351.db2.gz PZRNSSQIQAGQHA-UHFFFAOYSA-N 0 0 292.079 3.125 10 30 CGEERN Cc1cc(Br)c(C#N)cc1OC(F)F ZINC000575685037 377960106 /nfs/dbraw/zinc/96/01/06/377960106.db2.gz YQRHWFQJMMAZHQ-UHFFFAOYSA-N 0 0 262.053 3.231 10 30 CGEERN N#CCc1cc(Br)c(C(F)(F)F)cc1O ZINC000575689831 377965120 /nfs/dbraw/zinc/96/51/20/377965120.db2.gz HQIXJZWBYDHIBT-UHFFFAOYSA-N 0 0 280.043 3.240 10 30 CGEERN N#CCc1cc(O)c(C(F)(F)F)cc1Br ZINC000575691087 377967064 /nfs/dbraw/zinc/96/70/64/377967064.db2.gz HLSBVOKTWDXPOV-UHFFFAOYSA-N 0 0 280.043 3.240 10 30 CGEERN CCc1cc(CC#N)c(C=O)c(OC(F)(F)F)c1 ZINC000575702862 377976229 /nfs/dbraw/zinc/97/62/29/377976229.db2.gz OVFAJCPBXJGZGC-UHFFFAOYSA-N 0 0 257.211 3.026 10 30 CGEERN Oc1cc(OC(F)(F)F)c(C(F)(F)F)cc1F ZINC000575704545 377976779 /nfs/dbraw/zinc/97/67/79/377976779.db2.gz XQSVGUKCWVEIGW-UHFFFAOYSA-N 0 0 264.096 3.449 10 30 CGEERN CCc1ccc(I)c(C)c1CC#N ZINC000575706640 377978323 /nfs/dbraw/zinc/97/83/23/377978323.db2.gz UHJZUXLEXBNRJX-UHFFFAOYSA-N 0 0 285.128 3.228 10 30 CGEERN O=C(/C=C/c1ccc(F)cc1)c1ccc(OC[C@H]2CO2)cc1 ZINC000584627396 378395299 /nfs/dbraw/zinc/39/52/99/378395299.db2.gz OMYMQOWJWVTWBZ-QYSIDVQXSA-N 0 0 298.313 3.499 10 30 CGEERN C[C@H]1CC(c2noc(-c3cc(C#N)c[nH]3)n2)C[C@H](C)C1 ZINC000408227383 380000596 /nfs/dbraw/zinc/00/05/96/380000596.db2.gz SHINKVBSHAIDDY-NXEZZACHSA-N 0 0 270.336 3.476 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)N[C@H]1CSc2ccccc21 ZINC000329646139 542447533 /nfs/dbraw/zinc/44/75/33/542447533.db2.gz IVYCKBVJTBGDJM-DRZSPHRISA-N 0 0 287.388 3.029 10 30 CGEERN O=C(N[C@@H]1CCCC(F)(F)C1)[C@@H]1CCCC(=O)N1 ZINC000328803638 542445514 /nfs/dbraw/zinc/44/55/14/542445514.db2.gz BJAIJWCZAXHCLP-BDAKNGLRSA-N 0 0 260.284 3.030 10 30 CGEERN Cc1cnc([C@H](C)NC(=O)c2cccnc2C2CC2)o1 ZINC000329565515 542447768 /nfs/dbraw/zinc/44/77/68/542447768.db2.gz OIGWKCOFNMGDKK-JTQLQIEISA-N 0 0 271.320 3.321 10 30 CGEERN O=C(NC[C@@H]1CCC[C@@H]1O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000329774977 542448365 /nfs/dbraw/zinc/44/83/65/542448365.db2.gz MTBICNYHKBIXFE-GVRJEKJASA-N 0 0 294.439 3.010 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)Nc1nc2ccsc2s1 ZINC000332897262 542450629 /nfs/dbraw/zinc/45/06/29/542450629.db2.gz JCELOXVTNAMRIF-HTQZYQBOSA-N 0 0 292.389 3.172 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)N1CCCC12CCCCC2 ZINC000332880208 542451031 /nfs/dbraw/zinc/45/10/31/542451031.db2.gz CIKHJFYIQPWDSU-ZIAGYGMSSA-N 0 0 275.396 3.187 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)N1CC2(CCC2)c2ccccc21 ZINC000332953476 542451429 /nfs/dbraw/zinc/45/14/29/542451429.db2.gz CIDCFALVRBPOTJ-HIFRSBDPSA-N 0 0 295.386 3.330 10 30 CGEERN C=CC[C@H](CO)NC(=O)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000182806171 392749832 /nfs/dbraw/zinc/74/98/32/392749832.db2.gz YDHRVILQQZVGBW-CZUORRHYSA-N 0 0 290.407 3.107 10 30 CGEERN Cc1sc([C@@H]2CC[C@H](C=O)O2)cc1Br ZINC000307521996 397680993 /nfs/dbraw/zinc/68/09/93/397680993.db2.gz BHADQUQHONGMPK-APPZFPTMSA-N 0 0 275.167 3.238 10 30 CGEERN CC#CCC[C@H](O)c1cscc1Br ZINC000307520748 397680997 /nfs/dbraw/zinc/68/09/97/397680997.db2.gz YGSQZKDFEUXUEU-JTQLQIEISA-N 0 0 259.168 3.348 10 30 CGEERN Cc1ccccc1[C@@H](C)Nc1nccc(C#N)c1[N+](=O)[O-] ZINC000167488926 165495905 /nfs/dbraw/zinc/49/59/05/165495905.db2.gz VTWZSBBNJGIBJT-LLVKDONJSA-N 0 0 282.303 3.343 10 30 CGEERN C=C(C)CSc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000005238827 170078224 /nfs/dbraw/zinc/07/82/24/170078224.db2.gz XFSFGTSAXQGIKP-UHFFFAOYSA-N 0 0 266.391 3.270 10 30 CGEERN C[C@@H]1CCC[C@@H](C)N1/N=C/c1ccc([N+](=O)[O-])cc1 ZINC000005505291 170105347 /nfs/dbraw/zinc/10/53/47/170105347.db2.gz YGICDMFMXUOUDB-SJIAUZAASA-N 0 0 261.325 3.192 10 30 CGEERN COc1cccc(C=Nc2ccc3[nH]cnc3c2)c1 ZINC000005940622 170159195 /nfs/dbraw/zinc/15/91/95/170159195.db2.gz PAQIEEUFRBHCFQ-CXUHLZMHSA-N 0 0 251.289 3.322 10 30 CGEERN N#CCC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000006328424 170192002 /nfs/dbraw/zinc/19/20/02/170192002.db2.gz HUPLMNSPFMAMQT-UHFFFAOYSA-N 0 0 263.511 3.499 10 30 CGEERN C[C@H]1[C@H](NC(=O)c2cccc(C#N)c2)CCC[C@@H]1C ZINC000006436117 170201580 /nfs/dbraw/zinc/20/15/80/170201580.db2.gz BFASONIKWMNDHB-YWPYICTPSA-N 0 0 256.349 3.113 10 30 CGEERN C=CCSCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000006780884 170242844 /nfs/dbraw/zinc/24/28/44/170242844.db2.gz ZMDRMSUBPZHJTL-UHFFFAOYSA-N 0 0 292.429 3.356 10 30 CGEERN C=CCSc1nc2c(cnn2-c2cccc(C)c2)c(=O)[nH]1 ZINC000009522365 170380484 /nfs/dbraw/zinc/38/04/84/170380484.db2.gz DXZUYTIEPFNBFR-UHFFFAOYSA-N 0 0 298.371 3.108 10 30 CGEERN Cc1ccoc1C(=O)N(CCC#N)c1ccccc1 ZINC000019517579 170823453 /nfs/dbraw/zinc/82/34/53/170823453.db2.gz ODCSNNLHCBFGPA-UHFFFAOYSA-N 0 0 254.289 3.149 10 30 CGEERN O=CCOc1c(Cl)cc(Br)cc1Cl ZINC000019776774 170860848 /nfs/dbraw/zinc/86/08/48/170860848.db2.gz PIWAWOJZGQWLFT-UHFFFAOYSA-N 0 0 283.936 3.334 10 30 CGEERN CC[C@H]1CCCC[C@H]1OCc1ccc(/C(N)=N/O)cc1F ZINC000019808404 170877405 /nfs/dbraw/zinc/87/74/05/170877405.db2.gz BEQVIOHWWTZXSJ-XHDPSFHLSA-N 0 0 294.370 3.406 10 30 CGEERN N/C(=N\O)c1ccccc1CSc1nc2ccccc2o1 ZINC000019847917 170897001 /nfs/dbraw/zinc/89/70/01/170897001.db2.gz MOXWQHJMLPZDHO-UHFFFAOYSA-N 0 0 299.355 3.215 10 30 CGEERN COc1ccc(O)c([C@H](C)Nc2ccc(C#N)cc2)c1 ZINC000019951278 170939630 /nfs/dbraw/zinc/93/96/30/170939630.db2.gz YXFAMAPSOVANEW-NSHDSACASA-N 0 0 268.316 3.446 10 30 CGEERN COc1ccc([C@@H](C#N)NCCc2cccs2)cc1 ZINC000020173552 171041386 /nfs/dbraw/zinc/04/13/86/171041386.db2.gz UJTSRVPWENBNMZ-OAHLLOKOSA-N 0 0 272.373 3.154 10 30 CGEERN N#C[C@H](NC1CCCCCC1)c1ccc2c(c1)OCCO2 ZINC000020175664 171041838 /nfs/dbraw/zinc/04/18/38/171041838.db2.gz OZCBNMZFBKOQHX-HNNXBMFYSA-N 0 0 286.375 3.335 10 30 CGEERN N#Cc1cccc(Oc2ccc([N+](=O)[O-])cc2C=O)c1 ZINC000020368589 171167077 /nfs/dbraw/zinc/16/70/77/171167077.db2.gz NGDJHAPPLKQZEA-UHFFFAOYSA-N 0 0 268.228 3.071 10 30 CGEERN Cc1c(N)cccc1OCc1ccc(C#N)cc1F ZINC000035283154 172101531 /nfs/dbraw/zinc/10/15/31/172101531.db2.gz KJSLKUMPBKGFKU-UHFFFAOYSA-N 0 0 256.280 3.167 10 30 CGEERN C=C(Cl)COc1cc(OCCC)ccc1CO ZINC000035414064 172187610 /nfs/dbraw/zinc/18/76/10/172187610.db2.gz NLFQAZAQMOPOSX-UHFFFAOYSA-N 0 0 256.729 3.099 10 30 CGEERN N#CC1(Nc2cccc(F)c2)Cc2ccccc2C1 ZINC000037937147 173877436 /nfs/dbraw/zinc/87/74/36/173877436.db2.gz HUXUDVYMPGVTGP-UHFFFAOYSA-N 0 0 252.292 3.299 10 30 CGEERN N#C[C@H](c1cc(F)ccc1F)N1CCCCCC1 ZINC000038086060 174096893 /nfs/dbraw/zinc/09/68/93/174096893.db2.gz UOMRRWLNZRVOSE-CQSZACIVSA-N 0 0 250.292 3.405 10 30 CGEERN N#C[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000040215132 174204361 /nfs/dbraw/zinc/20/43/61/174204361.db2.gz WVPJLWMBAVIFAO-CQSZACIVSA-N 0 0 270.719 3.335 10 30 CGEERN N#Cc1cccc(Cn2ccnc2-c2ccccc2)c1 ZINC000040228383 174208543 /nfs/dbraw/zinc/20/85/43/174208543.db2.gz DTCZRKYMVGANQG-UHFFFAOYSA-N 0 0 259.312 3.470 10 30 CGEERN COc1ccc(NC(=O)C2(C#N)CCCC2)cc1C ZINC000044352719 175166290 /nfs/dbraw/zinc/16/62/90/175166290.db2.gz KRNPQHIHAUYCNS-UHFFFAOYSA-N 0 0 258.321 3.026 10 30 CGEERN CCOC(C#CCc1ccccc1Br)OCC ZINC000072236492 176345880 /nfs/dbraw/zinc/34/58/80/176345880.db2.gz GOLBVOXNFBFHEJ-UHFFFAOYSA-N 0 0 297.192 3.394 10 30 CGEERN C=CCSCCNc1cc(F)ccc1[N+](=O)[O-] ZINC000228722386 416523008 /nfs/dbraw/zinc/52/30/08/416523008.db2.gz AXVFJLZTQKPTED-UHFFFAOYSA-N 0 0 256.302 3.065 10 30 CGEERN Cc1nc(CNC(=O)[C@@H]2OCC[C@@H]2C(C)C)sc1C ZINC000329278016 227404108 /nfs/dbraw/zinc/40/41/08/227404108.db2.gz LBNLUTXAQVEZCQ-DGCLKSJQSA-N 0 0 282.409 3.278 10 30 CGEERN N#C[C@@H]1CC[C@H](Nc2cc(Cl)cc3c2OCC(=O)N3)C1 ZINC000329401474 227494384 /nfs/dbraw/zinc/49/43/84/227494384.db2.gz ZBHUZRRLVWWRQH-SCZZXKLOSA-N 0 0 291.738 3.425 10 30 CGEERN Cc1csc2nc(C)nc(N[C@@H]3CCC[C@@H]3C#N)c12 ZINC000407960438 260075816 /nfs/dbraw/zinc/07/58/16/260075816.db2.gz YAJWCNWXIHNACY-GHMZBOCLSA-N 0 0 272.377 3.412 10 30 CGEERN Fc1ccc(C(F)(F)F)cc1CNCC(F)(F)F ZINC000094596059 260543606 /nfs/dbraw/zinc/54/36/06/260543606.db2.gz ZZLIWBIUHLCJIE-UHFFFAOYSA-N 0 0 275.167 3.496 10 30 CGEERN Cc1ccc([C@H](C)NC(=O)c2cccc(F)c2C#N)o1 ZINC000188238065 262285792 /nfs/dbraw/zinc/28/57/92/262285792.db2.gz QWXPIMFWQHRKKL-JTQLQIEISA-N 0 0 272.279 3.090 10 30 CGEERN C[C@H](CC1CC1)NC(=O)C[C@@H]1CCCCC(=O)N1 ZINC000328837206 263876764 /nfs/dbraw/zinc/87/67/64/263876764.db2.gz SVTZSQDJDCOHMR-PWSUYJOCSA-N 0 0 252.358 3.421 10 30 CGEERN CCC[C@H](NCc1ccc(C#N)s1)C(=O)OC(C)(C)C ZINC000185067383 266079330 /nfs/dbraw/zinc/07/93/30/266079330.db2.gz FVNBKVDEQJSCJX-ZDUSSCGKSA-N 0 0 294.420 3.220 10 30 CGEERN Cc1csc(C2CCN(c3cccc(C#N)n3)CC2)n1 ZINC000301810149 281713412 /nfs/dbraw/zinc/71/34/12/281713412.db2.gz BGVPYWMKWSPTNC-UHFFFAOYSA-N 0 0 284.388 3.102 10 30 CGEERN Cc1ccnc(N[C@@H]2CCOc3ccccc32)c1C#N ZINC000135075061 292788867 /nfs/dbraw/zinc/78/88/67/292788867.db2.gz UCKXYXFTCQDWQS-CQSZACIVSA-N 0 0 265.316 3.197 10 30 CGEERN N#Cc1cccnc1N1CCCC[C@H]1c1nccs1 ZINC000299653457 303208567 /nfs/dbraw/zinc/20/85/67/303208567.db2.gz MHZCRQHGTMKYIT-LBPRGKRZSA-N 0 0 270.361 3.141 10 30 CGEERN C[NH+]=Cc1c(C(C)C)[n-]n(-c2ccccc2)c1=S ZINC000261491613 328138633 /nfs/dbraw/zinc/13/86/33/328138633.db2.gz DSMWYDSSQLQMSA-OQLLNIDSSA-N 0 0 259.378 3.333 10 30 CGEERN C=CCN(CC1CCCCC1)C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000112213469 328391525 /nfs/dbraw/zinc/39/15/25/328391525.db2.gz LPSBBAQIZKYBBW-GDBMZVCRSA-N 0 0 294.439 3.332 10 30 CGEERN COC[C@H](C)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000108981791 327257405 /nfs/dbraw/zinc/25/74/05/327257405.db2.gz MSSDZIJKYANCLD-RYUDHWBXSA-N 0 0 292.404 3.302 10 30 CGEERN CC(C)[C@H](C)NC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000131487156 327454570 /nfs/dbraw/zinc/45/45/70/327454570.db2.gz RETWYNUUUWWYCP-DZGCQCFKSA-N 0 0 273.380 3.375 10 30 CGEERN C=CCCC(=O)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000173406798 329146771 /nfs/dbraw/zinc/14/67/71/329146771.db2.gz LYUVKLFFLURPPF-GFCCVEGCSA-N 0 0 264.394 3.124 10 30 CGEERN C=CCCOCCNC(=O)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000180551619 329220781 /nfs/dbraw/zinc/22/07/81/329220781.db2.gz SFBRNSRQSUPLFX-KBPBESRZSA-N 0 0 267.413 3.158 10 30 CGEERN Cc1cc(Cl)ccc1C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000223201114 329234885 /nfs/dbraw/zinc/23/48/85/329234885.db2.gz CYYFZUPJCLQBSV-ZWNOBZJWSA-N 0 0 262.740 3.071 10 30 CGEERN C=C(C)C[C@@H](C)C(=O)N1CCO[C@H](c2ccc(C)o2)C1 ZINC000185943701 329333180 /nfs/dbraw/zinc/33/31/80/329333180.db2.gz FDESXPWNZAMRFI-DOMZBBRYSA-N 0 0 277.364 3.090 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1c(Cl)cccc1Cl ZINC000061888990 329681509 /nfs/dbraw/zinc/68/15/09/329681509.db2.gz OIHYOLQKWAWKKW-KWQFWETISA-N 0 0 283.158 3.415 10 30 CGEERN C=C(Cl)CN1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000246688344 329869227 /nfs/dbraw/zinc/86/92/27/329869227.db2.gz ZKKHVCQOESBVDB-PWSUYJOCSA-N 0 0 257.786 3.262 10 30 CGEERN COCCNc1ccc(-c2ccc(OC)cc2)cc1C#N ZINC000536956378 330383207 /nfs/dbraw/zinc/38/32/07/330383207.db2.gz YSZLFVRVUUJXES-UHFFFAOYSA-N 0 0 282.343 3.292 10 30 CGEERN CSc1ccc(CN[C@H]2CCC[C@@H]2C#N)s1 ZINC000336719433 335115272 /nfs/dbraw/zinc/11/52/72/335115272.db2.gz YFVKNTDNSRXNLF-KOLCDFICSA-N 0 0 252.408 3.252 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NCc1cc(F)cc(Br)c1 ZINC000312286631 333079481 /nfs/dbraw/zinc/07/94/81/333079481.db2.gz RQEXPQVDKJXJEQ-GXFFZTMASA-N 0 0 297.171 3.370 10 30 CGEERN N#Cc1cc(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)ccn1 ZINC000192884330 335320483 /nfs/dbraw/zinc/32/04/83/335320483.db2.gz AVYHFYMLYMOSQU-OAHLLOKOSA-N 0 0 297.745 3.024 10 30 CGEERN C=CCN(Cc1nnc(C(C)C)n1C)Cc1ccccc1 ZINC000195066157 336044365 /nfs/dbraw/zinc/04/43/65/336044365.db2.gz CVTYCVXCHVKRCN-UHFFFAOYSA-N 0 0 284.407 3.127 10 30 CGEERN C=C(Cl)CC(=O)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000685958956 572881819 /nfs/dbraw/zinc/88/18/19/572881819.db2.gz GPMANYRYCMMISM-UHFFFAOYSA-N 0 0 273.760 3.001 10 30 CGEERN CSc1ccc(C)c(C(=O)N[C@@H]2CCC[C@H]2C#N)c1 ZINC000335754772 534191422 /nfs/dbraw/zinc/19/14/22/534191422.db2.gz QEILARWSDDAZOX-SMDDNHRTSA-N 0 0 274.389 3.139 10 30 CGEERN CCCNc1c(C#N)cnc2c(C)cc(OC)cc21 ZINC000061569058 520126905 /nfs/dbraw/zinc/12/69/05/520126905.db2.gz WJBGSNGYFARNGN-UHFFFAOYSA-N 0 0 255.321 3.245 10 30 CGEERN CCN[C@H](C#N)CCOc1ccccc1[C@@H](C)CC ZINC000062447140 520162636 /nfs/dbraw/zinc/16/26/36/520162636.db2.gz OWVHDKRIKMTYHP-KBPBESRZSA-N 0 0 260.381 3.471 10 30 CGEERN CCCCOCCOc1cccc2c1CC/C2=N\O ZINC000062800396 520794208 /nfs/dbraw/zinc/79/42/08/520794208.db2.gz LQHSZMVGGXULCD-JQIJEIRASA-N 0 0 263.337 3.007 10 30 CGEERN Cc1cc(NCC2(O)CCCCCC2)c(C#N)c(C)n1 ZINC000157494580 525267481 /nfs/dbraw/zinc/26/74/81/525267481.db2.gz XLFWWWNWSSMTSA-UHFFFAOYSA-N 0 0 273.380 3.067 10 30 CGEERN Cc1cc(NCc2ccc([N+](=O)[O-])cc2)c(C#N)c(C)n1 ZINC000156837304 525279239 /nfs/dbraw/zinc/27/92/39/525279239.db2.gz CBUBPQMMEXBNMI-UHFFFAOYSA-N 0 0 282.303 3.090 10 30 CGEERN C[C@@H](N[C@@H]1CCCC[C@@H]1C#N)c1ccc(C#N)cc1 ZINC000054825658 525632511 /nfs/dbraw/zinc/63/25/11/525632511.db2.gz VFPOTIPPFSEIAZ-DAXOMENPSA-N 0 0 253.349 3.291 10 30 CGEERN C[C@H](C#N)CN(C)c1ccccc1Br ZINC000049839623 525919627 /nfs/dbraw/zinc/91/96/27/525919627.db2.gz BNRIBIMUSWYHCY-SECBINFHSA-N 0 0 253.143 3.045 10 30 CGEERN C[C@H](CC#N)N(C)c1cccc(Br)c1 ZINC000049839630 526218477 /nfs/dbraw/zinc/21/84/77/526218477.db2.gz HQWOSNFITGHISR-SECBINFHSA-N 0 0 253.143 3.187 10 30 CGEERN Cc1csc(Sc2cc(Cl)ccc2/C(N)=N/O)n1 ZINC000062789737 526399559 /nfs/dbraw/zinc/39/95/59/526399559.db2.gz WKUOFMVVSLTZAD-UHFFFAOYSA-N 0 0 299.808 3.351 10 30 CGEERN CC1(C#N)CCC(Nc2ccc(N3CCCC3=O)cn2)CC1 ZINC000333297227 528833389 /nfs/dbraw/zinc/83/33/89/528833389.db2.gz LJIOTHLMQJQMAE-UHFFFAOYSA-N 0 0 298.390 3.093 10 30 CGEERN C=C[C@H](O)C#CC#C[C@@H]1O[C@H]1CCCCCCCC ZINC000299817846 567148072 /nfs/dbraw/zinc/14/80/72/567148072.db2.gz WZBQKUWMBGOAGV-ULQDDVLXSA-N 0 0 260.377 3.058 10 30 biogenic CGEERN CC(C)[C@@H](C#N)Oc1ccc(Br)cc1 ZINC000238854674 572548789 /nfs/dbraw/zinc/54/87/89/572548789.db2.gz OUSLUSJLJKCILF-LLVKDONJSA-N 0 0 254.127 3.376 10 30 CGEERN CCOc1cccc(/C=N\C[C@H](O)c2ccc(C)cc2)c1O ZINC000255050704 617798911 /nfs/dbraw/zinc/79/89/11/617798911.db2.gz JQGFOQNKTSWUAN-YLRSXTQRSA-N 0 0 299.370 3.252 10 30 CGEERN CC(C)(C)OC(=O)N1CC[C@@H]2C[C@H](S)CC[C@H]21 ZINC000757163271 617827692 /nfs/dbraw/zinc/82/76/92/617827692.db2.gz MZOGBMOVIZHAMN-GMTAPVOTSA-N 0 0 257.399 3.094 10 30 CGEERN C[C@H](C#N)NC(=O)/C=C\c1cccc(OC2CCCC2)c1 ZINC000255059268 617893514 /nfs/dbraw/zinc/89/35/14/617893514.db2.gz RANQPRXKRWGOST-ASCRHOAZSA-N 0 0 284.359 3.049 10 30 CGEERN C=C(C)[C@@H]1CC=C(COC(=O)[C@@H](C)COC)CC1 ZINC000177693619 618835787 /nfs/dbraw/zinc/83/57/87/618835787.db2.gz KEDHCFZIQWPTRP-GXTWGEPZSA-N 0 0 252.354 3.115 10 30 CGEERN Oc1ccccc1/C=N\[C@H]1CCOc2ccccc21 ZINC000255917260 618880335 /nfs/dbraw/zinc/88/03/35/618880335.db2.gz DAIVPLBLCBKIIL-FMNVXAMXSA-N 0 0 253.301 3.335 10 30 CGEERN C=C[C@H](CC(=O)O[C@@H](C)COCC)c1ccccc1 ZINC000190750980 619715166 /nfs/dbraw/zinc/71/51/66/619715166.db2.gz QRMOUPYNFOVOEO-UONOGXRCSA-N 0 0 262.349 3.315 10 30 CGEERN N#Cc1cnn2cc(/C=C\C3CCCCC3)cnc12 ZINC000229937034 623180625 /nfs/dbraw/zinc/18/06/25/623180625.db2.gz QIUCZXMPYUXGLU-SREVYHEPSA-N 0 0 252.321 3.194 10 30 CGEERN C=CCC(CC=C)C(=O)O[C@H](C)C1CCOCC1 ZINC000151837751 623574398 /nfs/dbraw/zinc/57/43/98/623574398.db2.gz PARINCDPMNLTAE-GFCCVEGCSA-N 0 0 252.354 3.113 10 30 CGEERN C#CCCCC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000191903340 640337736 /nfs/dbraw/zinc/33/77/36/640337736.db2.gz UFSFSIRQEMQNOS-WDEREUQCSA-N 0 0 261.287 3.027 10 30 CGEERN C[C@@H](O)c1nc2ccccc2n1Cc1ccc(C#N)cc1F ZINC000192479424 640373291 /nfs/dbraw/zinc/37/32/91/640373291.db2.gz IVTJHNABJMNOOH-LLVKDONJSA-N 0 0 295.317 3.149 10 30 CGEERN CC(C)(C#N)COC(=O)/C=C\SCc1ccco1 ZINC000588418873 799692896 /nfs/dbraw/zinc/69/28/96/799692896.db2.gz FLTMEDKRLCNPCT-ALCCZGGFSA-N 0 0 265.334 3.119 10 30 CGEERN CCOc1ccc(O)c(/C=N\C[C@@H]2CCC(C)(C)O2)c1 ZINC000588523164 799705873 /nfs/dbraw/zinc/70/58/73/799705873.db2.gz JPDHHOVFUUEJBC-XGHPXPSOSA-N 0 0 277.364 3.167 10 30 CGEERN C=C(C)[C@H]1CC=C(COC(=O)/C=C\c2ccncn2)CC1 ZINC000588539597 799708673 /nfs/dbraw/zinc/70/86/73/799708673.db2.gz YSHGUDVCUMYAEG-LZNQSLFOSA-N 0 0 284.359 3.336 10 30 CGEERN CC[C@@H](CC#N)OC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588557987 799711101 /nfs/dbraw/zinc/71/11/01/799711101.db2.gz FNGXOEHAEJIKAH-BMSUMIBZSA-N 0 0 288.303 3.234 10 30 CGEERN C[C@@H]([NH2+]Cc1csc(C(=O)[O-])c1)c1ccc(C#N)cc1 ZINC000689089504 976216278 /nfs/dbraw/zinc/21/62/78/976216278.db2.gz RJUQYLWMUKFVPF-SNVBAGLBSA-N 0 0 286.356 3.169 10 30 CGEERN C=CCCC(C)(C)[NH2+]Cc1ccsc1C(=O)[O-] ZINC000717948190 977925755 /nfs/dbraw/zinc/92/57/55/977925755.db2.gz TXKNPUMTPMOTAD-UHFFFAOYSA-N 0 0 253.367 3.281 10 30 CGEERN CCC(=O)[C@@H](C#N)Cc1ccc(Br)cc1 ZINC000095642992 185017376 /nfs/dbraw/zinc/01/73/76/185017376.db2.gz VCWLETPAGXYAMK-SNVBAGLBSA-N 0 0 266.138 3.110 10 30 CGEERN Cc1ccc(/C=N/[C@@H](CO)Cc2ccccc2)cc1 ZINC000003623342 344858660 /nfs/dbraw/zinc/85/86/60/344858660.db2.gz DMNGGVDWAASFPT-YPOUMIDOSA-N 0 0 253.345 3.018 10 30 CGEERN O=C(CCc1ccccc1)N(O)CCCc1ccccc1 ZINC000029484716 344917666 /nfs/dbraw/zinc/91/76/66/344917666.db2.gz ZTZZZGWUAYORTE-UHFFFAOYSA-N 0 0 283.371 3.470 10 30 CGEERN N#CN=C(Nc1cc(F)cc(F)c1)Oc1ccccc1 ZINC000038352185 344955547 /nfs/dbraw/zinc/95/55/47/344955547.db2.gz QTGCKPBQJOQRIH-UHFFFAOYSA-N 0 0 273.242 3.102 10 30 CGEERN CC(C)[C@H](C#N)C(=O)c1cccc(Br)c1 ZINC000041045710 344966853 /nfs/dbraw/zinc/96/68/53/344966853.db2.gz OHYLNSHUYBXDHW-NSHDSACASA-N 0 0 266.138 3.428 10 30 CGEERN N#CCCN(CCC#N)c1ccc(Br)cc1 ZINC000041431788 344969760 /nfs/dbraw/zinc/96/97/60/344969760.db2.gz HNWYHECMAAVBJL-UHFFFAOYSA-N 0 0 278.153 3.083 10 30 CGEERN COc1cc([N+](=O)[O-])c(C2(C#N)CCCCC2)cc1OC ZINC000062152975 345237467 /nfs/dbraw/zinc/23/74/67/345237467.db2.gz MFRCTLDOBTZWFI-UHFFFAOYSA-N 0 0 290.319 3.337 10 30 CGEERN N#Cc1ccc(Cl)cc1NCC[C@@H]1CCCO1 ZINC000062785361 345239942 /nfs/dbraw/zinc/23/99/42/345239942.db2.gz LTGQYNYKLFMMGE-LBPRGKRZSA-N 0 0 250.729 3.193 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1cc2ccc(F)cc2s1 ZINC000093695684 345885554 /nfs/dbraw/zinc/88/55/54/345885554.db2.gz UVBJLBWEPIURSM-PWSUYJOCSA-N 0 0 288.347 3.462 10 30 CGEERN C/C(=N\[S@](=O)C(C)(C)C)c1cc([N+](=O)[O-])ccc1F ZINC000114109756 345963551 /nfs/dbraw/zinc/96/35/51/345963551.db2.gz KAEBKJXUYIZJGX-MOXPCZPISA-N 0 0 286.328 3.005 10 30 CGEERN CC(C)[C@@H](CC1CCCCC1)C(=O)N[C@H](C)C#N ZINC000115347507 345971475 /nfs/dbraw/zinc/97/14/75/345971475.db2.gz PYMBEGTVDZFXKB-TZMCWYRMSA-N 0 0 250.386 3.257 10 30 CGEERN C=CCOc1cc(OC)c(C(C)=O)c(OCC=C)c1 ZINC000117591882 345985105 /nfs/dbraw/zinc/98/51/05/345985105.db2.gz REJQVIKCIMQFHL-UHFFFAOYSA-N 0 0 262.305 3.027 10 30 CGEERN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1C[C@@H]1C ZINC000120974017 346000326 /nfs/dbraw/zinc/00/03/26/346000326.db2.gz ZALOVCOBLDNFDA-JOYOIKCWSA-N 0 0 299.292 3.408 10 30 CGEERN Cc1ccc(C(=O)[C@H](C)CC#N)c(Br)c1 ZINC000129677388 346051065 /nfs/dbraw/zinc/05/10/65/346051065.db2.gz ULYDYCFIZVUNQD-SECBINFHSA-N 0 0 266.138 3.490 10 30 CGEERN C[C@@H](O)CCC#Cc1ccc(OC(F)(F)F)cc1 ZINC000147503304 346126523 /nfs/dbraw/zinc/12/65/23/346126523.db2.gz AQEFXNJWIWZSCG-SNVBAGLBSA-N 0 0 258.239 3.098 10 30 CGEERN C=C(C)[C@@H](C#N)Nc1ccccc1Br ZINC000158871370 346166450 /nfs/dbraw/zinc/16/64/50/346166450.db2.gz KECJRKBTANGHFM-LLVKDONJSA-N 0 0 251.127 3.329 10 30 CGEERN N#Cc1c(Br)cccc1NCC[C@@H]1CCCO1 ZINC000168515854 346190694 /nfs/dbraw/zinc/19/06/94/346190694.db2.gz XSAJCCAWSWHEMH-JTQLQIEISA-N 0 0 295.180 3.302 10 30 CGEERN C=C(C)C(=O)c1cccc(I)c1 ZINC000169182547 346191679 /nfs/dbraw/zinc/19/16/79/346191679.db2.gz IKMMJMCIPUSQFB-UHFFFAOYSA-N 0 0 272.085 3.050 10 30 CGEERN COc1cc(CC#N)cc(OC)c1OCc1ccccc1 ZINC000205368678 346282739 /nfs/dbraw/zinc/28/27/39/346282739.db2.gz FYALZUOVWRCMRR-UHFFFAOYSA-N 0 0 283.327 3.349 10 30 CGEERN C#Cc1ccc(OC)cc1OCOCC[Si](C)(C)C ZINC000225698068 346304731 /nfs/dbraw/zinc/30/47/31/346304731.db2.gz IIUYXQHGHXEMOE-UHFFFAOYSA-N 0 0 278.424 3.368 10 30 CGEERN C[C@@H]1CCC[C@H](c2noc(-c3ccc(C#N)cn3)n2)C1 ZINC000235363772 346335294 /nfs/dbraw/zinc/33/52/94/346335294.db2.gz WUWCOYUAKDHHNP-PWSUYJOCSA-N 0 0 268.320 3.297 10 30 CGEERN C#CCC[C@@H](O)c1ccc(C)c(Br)c1 ZINC000228650287 346315013 /nfs/dbraw/zinc/31/50/13/346315013.db2.gz CKODCSDCLREBBD-GFCCVEGCSA-N 0 0 253.139 3.204 10 30 CGEERN N#CCc1ccc(Cl)c(I)c1 ZINC000238591177 346350136 /nfs/dbraw/zinc/35/01/36/346350136.db2.gz GOWPRHFLIPWLGW-UHFFFAOYSA-N 0 0 277.492 3.011 10 30 CGEERN C=C(Cl)CNc1nccc(C)c1Br ZINC000235788412 346336984 /nfs/dbraw/zinc/33/69/84/346336984.db2.gz PEGWDNOXHBFLMO-UHFFFAOYSA-N 0 0 261.550 3.317 10 30 CGEERN CC(=O)N(C)c1ccc(N=Cc2ccccc2[N+](=O)[O-])cc1 ZINC000257354623 346400063 /nfs/dbraw/zinc/40/00/63/346400063.db2.gz YVWRGKWPLPWMKB-UHFFFAOYSA-N 0 0 297.314 3.328 10 30 CGEERN C[C@H](CC(=O)N[C@@H]1CCC[C@H]1C#N)CC(C)(C)C ZINC000251636573 346389404 /nfs/dbraw/zinc/38/94/04/346389404.db2.gz RQNIRIUZGZIAPV-FRRDWIJNSA-N 0 0 250.386 3.257 10 30 CGEERN Cc1cc(C2(C#N)CCC2)ncc1Br ZINC000306243891 346452497 /nfs/dbraw/zinc/45/24/97/346452497.db2.gz MTKDJFQMXFDEAH-UHFFFAOYSA-N 0 0 251.127 3.098 10 30 CGEERN C[C@@]1(c2cccc(Br)c2)CC[C@H](C=O)O1 ZINC000307257944 346461035 /nfs/dbraw/zinc/46/10/35/346461035.db2.gz BSCKITMQDIZGJV-NEPJUHHUSA-N 0 0 269.138 3.042 10 30 CGEERN N#C[C@@H]1CCCC[C@H]1NCc1cnn(Cc2ccccc2)c1 ZINC000390184182 346573741 /nfs/dbraw/zinc/57/37/41/346573741.db2.gz KXCOUMGIPHODLI-ZWKOTPCHSA-N 0 0 294.402 3.103 10 30 CGEERN OCc1cc(C(F)(F)F)c(C(F)(F)F)cc1F ZINC000514260578 346635664 /nfs/dbraw/zinc/63/56/64/346635664.db2.gz YBOQIHGGKMJKEU-UHFFFAOYSA-N 0 0 262.124 3.356 10 30 CGEERN N#Cc1ccccc1[C@@H](C#N)Cc1ccc([N+](=O)[O-])cc1 ZINC000584596367 346687622 /nfs/dbraw/zinc/68/76/22/346687622.db2.gz ZMWGUQHTQKFNHJ-CQSZACIVSA-N 0 0 277.283 3.316 10 30 CGEERN Cc1nn(Cc2ccc(C#N)cc2)c(C(C)C)c1[N+](=O)[O-] ZINC000584599236 346689134 /nfs/dbraw/zinc/68/91/34/346689134.db2.gz ZMJUGXPDXSLNBJ-UHFFFAOYSA-N 0 0 284.319 3.143 10 30 CGEERN Cc1c(N)c(C(F)(F)F)nn1[C@H](C)c1ccc(C#N)cc1 ZINC000584599020 346689235 /nfs/dbraw/zinc/68/92/35/346689235.db2.gz IATLNOSCMQMBEJ-MRVPVSSYSA-N 0 0 294.280 3.274 10 30 CGEERN CCOP(=O)(C#CC(F)(F)Br)OCC ZINC000584601766 346689721 /nfs/dbraw/zinc/68/97/21/346689721.db2.gz CACVRTYOKOBMMW-UHFFFAOYSA-N 0 0 291.028 3.201 10 30 CGEERN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)C=C[C@@H]43)[C@@H]1CC[C@@H]2O ZINC000584602493 346689760 /nfs/dbraw/zinc/68/97/60/346689760.db2.gz NIWPDWMHVDBOFT-PNOKGRBDSA-N 0 0 274.404 3.345 10 30 CGEERN CC[C@@H]1C[C@H](OCc2ccc(OC)cc2)C[C@H]1C=O ZINC000584603480 346690345 /nfs/dbraw/zinc/69/03/45/346690345.db2.gz YRFMRLRQDFIHQC-YCPHGPKFSA-N 0 0 262.349 3.216 10 30 CGEERN C=C(C)C[C@@H](OP(=O)(OCC)OCC)C(=O)OCC ZINC000584603142 346690445 /nfs/dbraw/zinc/69/04/45/346690445.db2.gz MNXDTFNZDSAOHH-LLVKDONJSA-N 0 0 294.284 3.082 10 30 CGEERN C=C[C@@]1(O)c2ccccc2CC[C@@H]1c1cccnc1 ZINC000584620718 346695785 /nfs/dbraw/zinc/69/57/85/346695785.db2.gz PYWQOVPNJCCXNA-IAGOWNOFSA-N 0 0 251.329 3.185 10 30 CGEERN O/N=C1/C[C@@H]2CCCC[C@H]2C[C@]1(O)c1ccccc1 ZINC000584621687 346695937 /nfs/dbraw/zinc/69/59/37/346695937.db2.gz KMELCHREZIDTNB-BZZBIKHRSA-N 0 0 259.349 3.305 10 30 CGEERN N#C[C@H]1CCCN(c2nc3c(s2)c(Cl)ncc3F)C1 ZINC000584631694 346699047 /nfs/dbraw/zinc/69/90/47/346699047.db2.gz LHZPRLGRYKKVCZ-SSDOTTSWSA-N 0 0 296.758 3.224 10 30 CGEERN Cc1ccc([N+](=O)[O-])cc1-c1cnc(Cl)c(C#N)c1 ZINC000584633481 346699807 /nfs/dbraw/zinc/69/98/07/346699807.db2.gz MAVZSGBACUOCSZ-UHFFFAOYSA-N 0 0 273.679 3.490 10 30 CGEERN COc1cccc2c1Cc1ccccc1CN2CC#N ZINC000584638228 346701422 /nfs/dbraw/zinc/70/14/22/346701422.db2.gz XPTWTHXKRCIHIQ-UHFFFAOYSA-N 0 0 264.328 3.130 10 30 CGEERN N#C[C@H]1CCC[C@H]1NCc1c(F)ccc(F)c1Cl ZINC000600145994 347784716 /nfs/dbraw/zinc/78/47/16/347784716.db2.gz SYFNBERYELXXKI-PRHODGIISA-N 0 0 270.710 3.400 10 30 CGEERN N#CCc1c(Br)cccc1OC(F)(F)F ZINC000616576451 348834406 /nfs/dbraw/zinc/83/44/06/348834406.db2.gz UHDNUEFAGDLETG-UHFFFAOYSA-N 0 0 280.043 3.414 10 30 CGEERN COC(=O)N1c2ccccc2NC[C@@H]1c1cccc(C#N)c1 ZINC000616684243 348867111 /nfs/dbraw/zinc/86/71/11/348867111.db2.gz JAWCCUXKVUKZAN-MRXNPFEDSA-N 0 0 293.326 3.298 10 30 CGEERN Brc1cccc(C#Cc2ccncc2)c1 ZINC000090550169 180002898 /nfs/dbraw/zinc/00/28/98/180002898.db2.gz AHXJRDZTJUXVEL-UHFFFAOYSA-N 0 0 258.118 3.244 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)C1CCC(C(F)(F)F)CC1 ZINC000216304620 303158880 /nfs/dbraw/zinc/15/88/80/303158880.db2.gz BMKYKFIMZKLGSC-ADPBJBESSA-N 0 0 288.313 3.164 10 30 CGEERN C#CCCCCNC(=O)N1CCCC[C@H]1c1nccs1 ZINC000155128726 188185391 /nfs/dbraw/zinc/18/53/91/188185391.db2.gz YWZNUUYXWUPLDB-ZDUSSCGKSA-N 0 0 291.420 3.183 10 30 CGEERN CC(C)[C@@H](CO)Nc1cc(C#N)c2cc(Cl)ccc2n1 ZINC000301553475 201065026 /nfs/dbraw/zinc/06/50/26/201065026.db2.gz MUAQZXLEMCTDTC-CQSZACIVSA-N 0 0 289.766 3.189 10 30 CGEERN Cc1cc(Oc2cccc(-c3nnco3)c2)c(C#N)c(C)n1 ZINC000301780342 201192512 /nfs/dbraw/zinc/19/25/12/201192512.db2.gz MUZIBWNYZCGOFV-UHFFFAOYSA-N 0 0 292.298 3.412 10 30 CGEERN COC(=O)c1ccc(/N=C\c2ccc(C#N)cc2)cc1 ZINC000000485336 368377745 /nfs/dbraw/zinc/37/77/45/368377745.db2.gz WOWMSSTZVSBGIA-WQRHYEAKSA-N 0 0 264.284 3.095 10 30 CGEERN C[C@]12CC[C@@H]3c4cc(C#N)c(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O ZINC000013491711 368654856 /nfs/dbraw/zinc/65/48/56/368654856.db2.gz KHZPKJCZGIYHFO-NNYOOSKESA-N 0 0 297.398 3.481 10 30 CGEERN CC(N=NC(N)=S)c1cccc(-c2ccccc2)c1 ZINC000013580125 368657156 /nfs/dbraw/zinc/65/71/56/368657156.db2.gz OEMPMQMUBMCYOI-GZTJUZNOSA-N 0 0 269.373 3.322 10 30 CGEERN COc1ccccc1[C@H]1O[C@@H]1C(=O)c1c[nH]c2ccccc21 ZINC000015017508 368688428 /nfs/dbraw/zinc/68/84/28/368688428.db2.gz MBCHQEXCFXREOF-QZTJIDSGSA-N 0 0 293.322 3.499 10 30 CGEERN CC(C)(C)CC(C)(C)N=C(NC#N)Nc1cccnc1 ZINC000026576412 368862611 /nfs/dbraw/zinc/86/26/11/368862611.db2.gz HXIURYONZFKTDW-UHFFFAOYSA-N 0 0 273.384 3.135 10 30 CGEERN N#Cc1cc(-c2nc3ccccc3s2)ccc1N ZINC000027525124 368873050 /nfs/dbraw/zinc/87/30/50/368873050.db2.gz KANSGSDVVOUGAX-UHFFFAOYSA-N 0 0 251.314 3.417 10 30 CGEERN N#Cc1cccc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000027839796 368876918 /nfs/dbraw/zinc/87/69/18/368876918.db2.gz ZAJWSJXNPIPCTR-OLZOCXBDSA-N 0 0 296.292 3.409 10 30 CGEERN COc1cc(Cl)c(C)cc1NC1=NCCCS1 ZINC000034971950 368984199 /nfs/dbraw/zinc/98/41/99/368984199.db2.gz ZHJQPLHOAYYVTI-UHFFFAOYSA-N 0 0 270.785 3.371 10 30 CGEERN C[C@@H](C#N)CC(=O)c1ccc(Br)cc1 ZINC000033426744 368965525 /nfs/dbraw/zinc/96/55/25/368965525.db2.gz JGZJGMLRLGZDRQ-MRVPVSSYSA-N 0 0 252.111 3.182 10 30 CGEERN C[C@@H]1CN=C(Nc2cccc(Br)c2)S1 ZINC000035083667 368995844 /nfs/dbraw/zinc/99/58/44/368995844.db2.gz GPYPFYKIZKZAAG-SSDOTTSWSA-N 0 0 271.183 3.162 10 30 CGEERN N#CCC[C@@H](C#N)CN1CC=C(c2ccccc2F)CC1 ZINC000127510673 370952695 /nfs/dbraw/zinc/95/26/95/370952695.db2.gz DIMDGQUZVAXVEU-AWEZNQCLSA-N 0 0 283.350 3.358 10 30 CGEERN Cc1cc(C)c(C(=O)N[C@H]2CCC[C@H]2C#N)c(C)c1 ZINC000061888874 369609438 /nfs/dbraw/zinc/60/94/38/369609438.db2.gz IHBHUHRNTKJQMW-KBPBESRZSA-N 0 0 256.349 3.034 10 30 CGEERN C=CCn1c(C)cc(C(=O)COc2ccc(C)nc2)c1C ZINC000101541044 370290381 /nfs/dbraw/zinc/29/03/81/370290381.db2.gz PGERHRNZHMHCOP-UHFFFAOYSA-N 0 0 284.359 3.256 10 30 CGEERN C=CCN(CCC(C)=O)Cc1ccc(Cl)s1 ZINC000102670088 370308577 /nfs/dbraw/zinc/30/85/77/370308577.db2.gz WDFBOSWPEZSRHM-UHFFFAOYSA-N 0 0 257.786 3.369 10 30 CGEERN C[C@H](Nc1ccc([N+](=O)[O-])c(C#N)n1)C1CCCCC1 ZINC000235540424 189828939 /nfs/dbraw/zinc/82/89/39/189828939.db2.gz UYWPNOWOERPTRW-JTQLQIEISA-N 0 0 274.324 3.242 10 30 CGEERN CCCCCCCC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000135344303 371418025 /nfs/dbraw/zinc/41/80/25/371418025.db2.gz HBKLTBGCVSAMRE-ZDUSSCGKSA-N 0 0 292.427 3.152 10 30 CGEERN Cc1nnc([C@@H](C)Nc2ccc(F)cc2C#N)s1 ZINC000353296270 220013284 /nfs/dbraw/zinc/01/32/84/220013284.db2.gz XYBOLOJYYDMUMC-SSDOTTSWSA-N 0 0 262.313 3.030 10 30 CGEERN Cc1cc(CSCc2ccc(F)cc2C#N)no1 ZINC000103166282 261278491 /nfs/dbraw/zinc/27/84/91/261278491.db2.gz CDRQHHLQPUUMRG-UHFFFAOYSA-N 0 0 262.309 3.427 10 30 CGEERN C=CCCO[C@H](C)C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000157925908 372044187 /nfs/dbraw/zinc/04/41/87/372044187.db2.gz MLCYJTKWQVQUMX-WBMJQRKESA-N 0 0 291.366 3.301 10 30 CGEERN Cc1cc(N[C@@H](C)c2cccc(O)c2)c(C#N)c(C)n1 ZINC000160632718 372264116 /nfs/dbraw/zinc/26/41/16/372264116.db2.gz ALEFWLNLLGEVPD-NSHDSACASA-N 0 0 267.332 3.449 10 30 CGEERN N#Cc1ccc(N2CC[C@@H](CNc3ccccn3)C2)c(F)c1 ZINC000171364814 372743001 /nfs/dbraw/zinc/74/30/01/372743001.db2.gz VENFLRMDOGWGMM-AWEZNQCLSA-N 0 0 296.349 3.031 10 30 CGEERN C[C@H](Cc1cccc(F)c1)Nc1ccc(C#N)cn1 ZINC000301278371 373725773 /nfs/dbraw/zinc/72/57/73/373725773.db2.gz JLXIIBFKZLODQB-LLVKDONJSA-N 0 0 255.296 3.135 10 30 CGEERN CCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])c(C#N)n2)cc1 ZINC000302722102 373940567 /nfs/dbraw/zinc/94/05/67/373940567.db2.gz LTLOXHHMRYTWPH-UHFFFAOYSA-N 0 0 297.270 3.246 10 30 CGEERN CC[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000328758358 374380658 /nfs/dbraw/zinc/38/06/58/374380658.db2.gz VVYSYRFCEYLEOV-AVGNSLFASA-N 0 0 294.395 3.190 10 30 CGEERN O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCc2n[nH]cc2C1 ZINC000328883539 374391435 /nfs/dbraw/zinc/39/14/35/374391435.db2.gz XXYQHGOHAABALV-WOTSWCTKSA-N 0 0 299.418 3.296 10 30 CGEERN C[C@H]1CN(Cc2ccc(Cl)cc2C#N)CCS1 ZINC000186954560 374943867 /nfs/dbraw/zinc/94/38/67/374943867.db2.gz LNJYFESTGJEBPU-JTQLQIEISA-N 0 0 266.797 3.149 10 30 CGEERN C=CCN(C)C(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000187694714 375075168 /nfs/dbraw/zinc/07/51/68/375075168.db2.gz NGUXGKGVVLFWEZ-IUODEOHRSA-N 0 0 258.365 3.452 10 30 CGEERN Cc1ccc([C@@H](C)NC(=O)C2(c3ccc(C#N)cc3)CC2)o1 ZINC000188015042 375140483 /nfs/dbraw/zinc/14/04/83/375140483.db2.gz YXIFCLNNIUJRSM-CYBMUJFWSA-N 0 0 294.354 3.369 10 30 CGEERN C=CCCCCCN1CCO[C@H](c2cnn(CC)c2)C1 ZINC000193578929 375894522 /nfs/dbraw/zinc/89/45/22/375894522.db2.gz ZUACEGMKAPSNCR-INIZCTEOSA-N 0 0 277.412 3.023 10 30 CGEERN Cc1nc(Sc2cc(C)nc(C)c2C#N)oc1C ZINC000227591908 376401069 /nfs/dbraw/zinc/40/10/69/376401069.db2.gz VUMCLQCSBWGWCW-UHFFFAOYSA-N 0 0 259.334 3.326 10 30 CGEERN Clc1cccc(-c2ccc(C=Nn3cnnc3)o2)c1 ZINC000254566246 377710112 /nfs/dbraw/zinc/71/01/12/377710112.db2.gz HHOKVDMSSMHCEJ-UHFFFAOYSA-N 0 0 272.695 3.074 10 30 CGEERN CCOC(=O)Cc1cc(CC)c(C#N)cc1C(F)(F)F ZINC000575389800 377897641 /nfs/dbraw/zinc/89/76/41/377897641.db2.gz OVDLMEGULPSPIA-UHFFFAOYSA-N 0 0 285.265 3.245 10 30 CGEERN N#CCc1cc(O)c(C(F)(F)F)c(C(F)(F)F)c1 ZINC000575340496 377882100 /nfs/dbraw/zinc/88/21/00/377882100.db2.gz HEPLWVQLTIOONJ-UHFFFAOYSA-N 0 0 269.144 3.496 10 30 CGEERN COC(=O)c1cc(C#N)c(C(F)F)cc1C(F)(F)F ZINC000575343987 377883630 /nfs/dbraw/zinc/88/36/30/377883630.db2.gz LLQLWGTZXIRHGZ-UHFFFAOYSA-N 0 0 279.164 3.301 10 30 CGEERN COC(=O)c1c(C#N)cc(C(F)F)cc1OC(F)(F)F ZINC000575344182 377883643 /nfs/dbraw/zinc/88/36/43/377883643.db2.gz TWPNWLGXKYGORD-UHFFFAOYSA-N 0 0 295.163 3.181 10 30 CGEERN CCOC(=O)c1cc(C#N)cc(Cl)c1C(F)(F)F ZINC000575383463 377894029 /nfs/dbraw/zinc/89/40/29/377894029.db2.gz WUKLDXFEDHTFCY-UHFFFAOYSA-N 0 0 277.629 3.407 10 30 CGEERN COC(=O)c1ccc(C#N)c(C(F)F)c1OC(F)(F)F ZINC000575387058 377896185 /nfs/dbraw/zinc/89/61/85/377896185.db2.gz HADJMAAALUWDQQ-UHFFFAOYSA-N 0 0 295.163 3.181 10 30 CGEERN C[C@@H]1CCC[C@](C#N)(NC(=O)OC(C)(C)C)[C@H]1C ZINC000575497282 377916628 /nfs/dbraw/zinc/91/66/28/377916628.db2.gz UAHCDVCPTUIVLE-UHIISALHSA-N 0 0 252.358 3.230 10 30 CGEERN CCc1c(C#N)cc(CC#N)cc1OC(F)(F)F ZINC000575645074 377926004 /nfs/dbraw/zinc/92/60/04/377926004.db2.gz ACNNIJMGGDPWIT-UHFFFAOYSA-N 0 0 254.211 3.085 10 30 CGEERN CCOc1cc(C(F)(F)F)cc(C#N)c1CC#N ZINC000575643871 377926589 /nfs/dbraw/zinc/92/65/89/377926589.db2.gz VQPOCLBEBFLQOP-UHFFFAOYSA-N 0 0 254.211 3.042 10 30 CGEERN CCOc1cc(CC#N)c(OCC)c(OC(F)F)c1 ZINC000575647471 377927044 /nfs/dbraw/zinc/92/70/44/377927044.db2.gz FZQIHNIEDYGFFX-UHFFFAOYSA-N 0 0 271.263 3.151 10 30 CGEERN N#CCc1cc(OC(F)F)c(C(F)F)cc1[N+](=O)[O-] ZINC000575652386 377929425 /nfs/dbraw/zinc/92/94/25/377929425.db2.gz FJUJYJDNRRXNKH-UHFFFAOYSA-N 0 0 278.161 3.200 10 30 CGEERN CCc1ccc(I)c(CC)c1C#N ZINC000575652358 377929460 /nfs/dbraw/zinc/92/94/60/377929460.db2.gz QDFZYUWBJOAOJD-UHFFFAOYSA-N 0 0 285.128 3.288 10 30 CGEERN N#Cc1cc(OC(F)(F)F)c(F)cc1OC(F)F ZINC000575660017 377935776 /nfs/dbraw/zinc/93/57/76/377935776.db2.gz KUSXMEPDLDJYMS-UHFFFAOYSA-N 0 0 271.116 3.197 10 30 CGEERN Cc1c(C#N)cc(C(F)(F)F)cc1OC(F)F ZINC000575664338 377939628 /nfs/dbraw/zinc/93/96/28/377939628.db2.gz DUMXOWGMZCIXNY-UHFFFAOYSA-N 0 0 251.154 3.487 10 30 CGEERN COc1cc(CC#N)cc(OC(F)F)c1C(F)(F)F ZINC000575664575 377940635 /nfs/dbraw/zinc/94/06/35/377940635.db2.gz IUSQRTSQBWSAMK-UHFFFAOYSA-N 0 0 281.180 3.381 10 30 CGEERN COc1cc(OC(F)F)cc(C(F)(F)F)c1CC#N ZINC000575665736 377943401 /nfs/dbraw/zinc/94/34/01/377943401.db2.gz SXBYKWIGVINWSF-UHFFFAOYSA-N 0 0 281.180 3.381 10 30 CGEERN Cc1c(C#N)cc(Br)cc1OC(F)F ZINC000575682933 377956681 /nfs/dbraw/zinc/95/66/81/377956681.db2.gz GUJYXWYHIJGBOD-UHFFFAOYSA-N 0 0 262.053 3.231 10 30 CGEERN N#CCc1cc(Br)c([N+](=O)[O-])cc1Cl ZINC000575678803 377952506 /nfs/dbraw/zinc/95/25/06/377952506.db2.gz URUARDOBGVYSBM-UHFFFAOYSA-N 0 0 275.489 3.077 10 30 CGEERN COC(=O)c1c(SC(F)(F)F)ccc(C)c1C#N ZINC000575395290 377902589 /nfs/dbraw/zinc/90/25/89/377902589.db2.gz WSCTUCCUUAFQNV-UHFFFAOYSA-N 0 0 275.251 3.265 10 30 CGEERN C#Cc1cccc(Br)c1OCC(F)(F)F ZINC000575411058 377905877 /nfs/dbraw/zinc/90/58/77/377905877.db2.gz SZDCGWXSHYVXCX-UHFFFAOYSA-N 0 0 279.055 3.372 10 30 CGEERN O=C(C1=CCCC1)c1ncsc1Br ZINC000575459063 377913972 /nfs/dbraw/zinc/91/39/72/377913972.db2.gz ZCRHGVHIFPBFOQ-UHFFFAOYSA-N 0 0 258.140 3.199 10 30 CGEERN N#Cc1cc(Br)cc(C(F)(F)F)c1F ZINC000575690059 377965283 /nfs/dbraw/zinc/96/52/83/377965283.db2.gz UAQOEVIMYAFFFO-UHFFFAOYSA-N 0 0 268.007 3.479 10 30 CGEERN N#CCc1cc(C(F)(F)F)c(O)cc1Br ZINC000575691655 377966633 /nfs/dbraw/zinc/96/66/33/377966633.db2.gz ORZUKHFUKLGONL-UHFFFAOYSA-N 0 0 280.043 3.240 10 30 CGEERN N#CCc1c(Cl)c(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000575694268 377968561 /nfs/dbraw/zinc/96/85/61/377968561.db2.gz KYNZPCJYMNEPBQ-UHFFFAOYSA-N 0 0 264.590 3.333 10 30 CGEERN N#CCc1cc(Cl)c([N+](=O)[O-])cc1C(F)(F)F ZINC000575695728 377969362 /nfs/dbraw/zinc/96/93/62/377969362.db2.gz RXNCMWFGQUPRQJ-UHFFFAOYSA-N 0 0 264.590 3.333 10 30 CGEERN CCc1ccc(C)c(I)c1CC#N ZINC000575706473 377977671 /nfs/dbraw/zinc/97/76/71/377977671.db2.gz SBLJMPKIHPDXEN-UHFFFAOYSA-N 0 0 285.128 3.228 10 30 CGEERN O=C(/C=C/c1ccc(F)cc1)c1ccc(OC[C@@H]2CO2)cc1 ZINC000584627395 378394901 /nfs/dbraw/zinc/39/49/01/378394901.db2.gz OMYMQOWJWVTWBZ-DFIVBLOKSA-N 0 0 298.313 3.499 10 30 CGEERN N#C[C@H](c1ccccn1)[C@@H](CCO)c1c(F)cccc1F ZINC000584628906 378395109 /nfs/dbraw/zinc/39/51/09/378395109.db2.gz ZDWLTLUHTQZBAH-NEPJUHHUSA-N 0 0 288.297 3.133 10 30 CGEERN CC1(C)CC(Oc2ccnc(C#N)c2)CC(C)(C)O1 ZINC000584628839 378395162 /nfs/dbraw/zinc/39/51/62/378395162.db2.gz UWQKQOJCJOMCBX-UHFFFAOYSA-N 0 0 260.337 3.068 10 30 CGEERN N#CC1(C(=O)N2C[C@H]3CCCCC[C@H]32)CCCCC1 ZINC000375851107 379515359 /nfs/dbraw/zinc/51/53/59/379515359.db2.gz UALIFDJYTRDCQD-ZIAGYGMSSA-N 0 0 260.381 3.252 10 30 CGEERN Cc1cc2[nH]c(C(=O)N[C@@H]3CCC[C@H]3C#N)cc2c(C)c1 ZINC000408332664 380005472 /nfs/dbraw/zinc/00/54/72/380005472.db2.gz YGQUITYHAZYLAI-GXTWGEPZSA-N 0 0 281.359 3.207 10 30 CGEERN O=C1c2ccc(O)c(O)c2O/C1=C\c1cccc(Cl)c1 ZINC000072238405 285015904 /nfs/dbraw/zinc/01/59/04/285015904.db2.gz PGWGPSUDVIROAY-GHXNOFRVSA-N 0 0 288.686 3.367 10 30 CGEERN Cc1nccc(NC(=O)[C@H]2C[C@]23CCOc2ccccc23)n1 ZINC000329642440 542447444 /nfs/dbraw/zinc/44/74/44/542447444.db2.gz CVIIHPUSRYSCTR-DYVFJYSZSA-N 0 0 295.342 3.113 10 30 CGEERN CCC1CCC(NC(=O)N[C@@H](C)c2nnc(C)s2)CC1 ZINC000329525901 542447026 /nfs/dbraw/zinc/44/70/26/542447026.db2.gz RGIUEJUGVJXNDP-GCVQQVDUSA-N 0 0 296.440 3.380 10 30 CGEERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1C=CCCC1 ZINC000329228926 533424888 /nfs/dbraw/zinc/42/48/88/533424888.db2.gz IYUXSPYSPRYMSB-MGPQQGTHSA-N 0 0 299.436 3.045 10 30 CGEERN N#Cc1cc(NCCC2=CCOCC2)c2ccccc2n1 ZINC000158097248 392555067 /nfs/dbraw/zinc/55/50/67/392555067.db2.gz IKUDPPYYFKKAEG-UHFFFAOYSA-N 0 0 279.343 3.255 10 30 CGEERN Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1C ZINC000186251320 392780640 /nfs/dbraw/zinc/78/06/40/392780640.db2.gz UKBCKWYVCIIQNC-GOSISDBHSA-N 0 0 294.402 3.036 10 30 CGEERN N#Cc1cc(Br)cnc1OCC1CCCC1 ZINC000211559771 392985365 /nfs/dbraw/zinc/98/53/65/392985365.db2.gz ZENAXRMCLNVLIO-UHFFFAOYSA-N 0 0 281.153 3.285 10 30 CGEERN CCCO[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000042425015 134891753 /nfs/dbraw/zinc/89/17/53/134891753.db2.gz YLTLEQVKNTXSRQ-ZDUSSCGKSA-N 0 0 262.328 3.093 10 30 CGEERN C[C@@]1(c2ccc(Br)s2)CC[C@H](C=O)O1 ZINC000306214536 397677264 /nfs/dbraw/zinc/67/72/64/397677264.db2.gz YXFKHTPOHRSNMN-XCBNKYQSSA-N 0 0 275.167 3.104 10 30 CGEERN COc1ccc(C(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1 ZINC000005108737 170066827 /nfs/dbraw/zinc/06/68/27/170066827.db2.gz AWQMZZZNWWFZOH-LBPRGKRZSA-N 0 0 281.311 3.217 10 30 CGEERN Cc1ccc(-n2c(N)c(C#N)c3c(c2=S)CCC3)cc1 ZINC000005553441 170112376 /nfs/dbraw/zinc/11/23/76/170112376.db2.gz BJWNCPLCSLTTRN-UHFFFAOYSA-N 0 0 281.384 3.458 10 30 CGEERN Brc1ccccc1CN=Nc1ccccn1 ZINC000005694459 170129995 /nfs/dbraw/zinc/12/99/95/170129995.db2.gz SGSPROIRLDALLE-OQLLNIDSSA-N 0 0 276.137 3.290 10 30 CGEERN Clc1cc(Cl)nc(N=NCc2ccco2)c1 ZINC000006334064 170193314 /nfs/dbraw/zinc/19/33/14/170193314.db2.gz OTZLCVSVUGTNCY-AWNIVKPZSA-N 0 0 256.092 3.427 10 30 CGEERN N#Cc1cccc(OCC(=O)c2ccccc2Cl)c1 ZINC000006401014 170198393 /nfs/dbraw/zinc/19/83/93/170198393.db2.gz KMJVLWQIXUXSFC-UHFFFAOYSA-N 0 0 271.703 3.473 10 30 CGEERN C[C@H](Oc1cccc(C#N)c1)C(=O)c1ccc(F)c(F)c1 ZINC000006401370 170198403 /nfs/dbraw/zinc/19/84/03/170198403.db2.gz VPMMHSONMCHFKN-JTQLQIEISA-N 0 0 287.265 3.487 10 30 CGEERN N#CCCN(c1ccccc1)c1ncccc1[N+](=O)[O-] ZINC000019431120 170797281 /nfs/dbraw/zinc/79/72/81/170797281.db2.gz PUWSWRISVDZRLQ-UHFFFAOYSA-N 0 0 268.276 3.042 10 30 CGEERN C[C@@H](OCc1ccccc1/C(N)=N/O)c1ccccc1 ZINC000019434416 170799080 /nfs/dbraw/zinc/79/90/80/170799080.db2.gz DFWPLIVMGJVGAZ-GFCCVEGCSA-N 0 0 270.332 3.059 10 30 CGEERN Cc1nc(N)sc1SCc1cccc(C#N)c1 ZINC000019488897 170814274 /nfs/dbraw/zinc/81/42/74/170814274.db2.gz QHLRVLCWWYUMTE-UHFFFAOYSA-N 0 0 261.375 3.198 10 30 CGEERN COc1ccc(CCN[C@H](C#N)c2cccs2)cc1 ZINC000019985197 170960817 /nfs/dbraw/zinc/96/08/17/170960817.db2.gz ODUGWRHTAWYZJU-CQSZACIVSA-N 0 0 272.373 3.154 10 30 CGEERN N#C[C@@H](NC1CCCCCC1)c1ccc2c(c1)OCCO2 ZINC000020175662 171041656 /nfs/dbraw/zinc/04/16/56/171041656.db2.gz OZCBNMZFBKOQHX-OAHLLOKOSA-N 0 0 286.375 3.335 10 30 CGEERN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccccc1C#N ZINC000020361981 171161020 /nfs/dbraw/zinc/16/10/20/171161020.db2.gz HAPKGMCKDLRMAN-UHFFFAOYSA-N 0 0 281.271 3.027 10 30 CGEERN CCCN[C@H](C#N)c1ccc(OC(F)(F)F)cc1 ZINC000020380211 171171903 /nfs/dbraw/zinc/17/19/03/171171903.db2.gz QEBQNFAWXFXESM-LLVKDONJSA-N 0 0 258.243 3.149 10 30 CGEERN C[C@H]1CCCC[C@@H]1NC(=O)/C=C/c1cccc(C#N)c1 ZINC000031489487 171639113 /nfs/dbraw/zinc/63/91/13/171639113.db2.gz KRMOOIDCBJKBSX-AULVFQMTSA-N 0 0 268.360 3.266 10 30 CGEERN CC(C)N[C@H](C#N)c1cc(Br)ccc1F ZINC000034973836 171909712 /nfs/dbraw/zinc/90/97/12/171909712.db2.gz PXOODHPIJUXQGE-LLVKDONJSA-N 0 0 271.133 3.151 10 30 CGEERN CCc1nc(N)c(C#N)c(-c2ccccc2F)c1C ZINC000035295520 172107267 /nfs/dbraw/zinc/10/72/67/172107267.db2.gz YJGVEYQCVBXJMO-UHFFFAOYSA-N 0 0 255.296 3.212 10 30 CGEERN CCOc1ccc([C@@H](C#N)C(=O)c2ccoc2)cc1 ZINC000037347774 173144231 /nfs/dbraw/zinc/14/42/31/173144231.db2.gz LKCXNWXGGFVJAA-CQSZACIVSA-N 0 0 255.273 3.168 10 30 CGEERN COc1cc(C#N)ccc1Oc1c(F)cc(N)cc1F ZINC000038040253 174040312 /nfs/dbraw/zinc/04/03/12/174040312.db2.gz CDSMBPCPJAMKEN-UHFFFAOYSA-N 0 0 276.242 3.220 10 30 CGEERN COc1ccc(C(=O)[C@H](C)CC#N)cc1Br ZINC000038052464 174063853 /nfs/dbraw/zinc/06/38/53/174063853.db2.gz CFPMOOCSUOMCSW-MRVPVSSYSA-N 0 0 282.137 3.190 10 30 CGEERN COc1ccc([C@H](C#N)NCC(C)C)cc1Br ZINC000038052232 174064262 /nfs/dbraw/zinc/06/42/62/174064262.db2.gz SNQYQPFVISVXSW-LBPRGKRZSA-N 0 0 297.196 3.268 10 30 CGEERN CCC[C@@H](C#N)NC(=O)Nc1ccc(Cl)cc1 ZINC000040220738 174206854 /nfs/dbraw/zinc/20/68/54/174206854.db2.gz HJUGNVGIFSEOCQ-NSHDSACASA-N 0 0 251.717 3.154 10 30 CGEERN C=C(C)C(=O)NCCCCCc1nc2ccccc2n1CC ZINC000040219724 174207029 /nfs/dbraw/zinc/20/70/29/174207029.db2.gz NNLSAVHHVCLSRF-UHFFFAOYSA-N 0 0 299.418 3.461 10 30 CGEERN CC(C)CN(CCC#N)c1ccc([C@H](C)O)cc1F ZINC000043417059 175038217 /nfs/dbraw/zinc/03/82/17/175038217.db2.gz WJEGZDIDLWYMFV-LBPRGKRZSA-N 0 0 264.344 3.255 10 30 CGEERN CCCCCCCCCCC(O)(CCO)CCO ZINC000043422637 175038819 /nfs/dbraw/zinc/03/88/19/175038819.db2.gz KVFCCRCFNDCBBZ-UHFFFAOYSA-N 0 0 260.418 3.013 10 30 CGEERN N#CCCN(c1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000044415053 175173001 /nfs/dbraw/zinc/17/30/01/175173001.db2.gz HYKUMMGEWUHLFV-UHFFFAOYSA-N 0 0 265.700 3.131 10 30 CGEERN Cc1cnc([C@@H](C)NC(=O)c2cccnc2C2CC2)o1 ZINC000329565517 227606840 /nfs/dbraw/zinc/60/68/40/227606840.db2.gz OIGWKCOFNMGDKK-SNVBAGLBSA-N 0 0 271.320 3.321 10 30 CGEERN C[C@]1(C(=O)N[C@H]2CCc3ccccc32)CCCNC1=O ZINC000330297140 228105335 /nfs/dbraw/zinc/10/53/35/228105335.db2.gz GSMLZJUFHHRFOJ-BBRMVZONSA-N 0 0 272.348 3.387 10 30 CGEERN N#C[C@H]1CCC[C@H]1NCc1ccc2ccccc2n1 ZINC000086317694 260207566 /nfs/dbraw/zinc/20/75/66/260207566.db2.gz IJDNBFJMMGJUTE-UKRRQHHQSA-N 0 0 251.333 3.017 10 30 CGEERN CC(C)[C@H]1CCCC[C@H]1NC(=O)N1CCC(C#N)CC1 ZINC000105244629 261308390 /nfs/dbraw/zinc/30/83/90/261308390.db2.gz IMEQNUMCQQMPOF-HUUCEWRRSA-N 0 0 277.412 3.146 10 30 CGEERN N#Cc1ccc(Oc2cc(Cl)nc(N)n2)cc1Cl ZINC000302555472 261353824 /nfs/dbraw/zinc/35/38/24/261353824.db2.gz LHWSOZIOSJVJQM-UHFFFAOYSA-N 0 0 281.102 3.030 10 30 CGEERN CC(C)C[C@H](C)C(=O)N1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000366180081 262565834 /nfs/dbraw/zinc/56/58/34/262565834.db2.gz GCSWLQNGGLOOER-ZMSDIMECSA-N 0 0 292.423 3.122 10 30 CGEERN O=C(C[C@H]1CCCCC(=O)N1)NC1CC(F)(F)C1 ZINC000328831835 263875684 /nfs/dbraw/zinc/87/56/84/263875684.db2.gz RJPKIQVWIWDBFJ-MRVPVSSYSA-N 0 0 260.284 3.030 10 30 CGEERN Cc1cc(NC(=O)[C@H](C)Oc2ccccc2C#N)ccc1F ZINC000103025332 270045385 /nfs/dbraw/zinc/04/53/85/270045385.db2.gz WBKFXWLYNPVRIR-LBPRGKRZSA-N 0 0 298.317 3.412 10 30 CGEERN C=CCC[C@H](CC)Nc1cnn(-c2ncccc2C#N)c1 ZINC000186028783 265585499 /nfs/dbraw/zinc/58/54/99/265585499.db2.gz GJBHZGHUEGTTGS-AWEZNQCLSA-N 0 0 281.363 3.296 10 30 CGEERN C=CCN(C)C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000119565697 267345288 /nfs/dbraw/zinc/34/52/88/267345288.db2.gz SFQFFSKRSOJYNY-CQSZACIVSA-N 0 0 262.328 3.031 10 30 CGEERN CCOC(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000002245476 276297915 /nfs/dbraw/zinc/29/79/15/276297915.db2.gz JOXFGLUYWQJUQC-UHFFFAOYSA-N 0 0 250.297 3.263 10 30 CGEERN CNc1c(C#N)cnc2ccc(C(F)(F)F)cc21 ZINC000053994941 277301300 /nfs/dbraw/zinc/30/13/00/277301300.db2.gz WBNHNCJORNLAKH-UHFFFAOYSA-N 0 0 251.211 3.167 10 30 CGEERN C[C@H]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)c2ccccc21 ZINC000125006594 278383721 /nfs/dbraw/zinc/38/37/21/278383721.db2.gz NUFAQCUECOBRBN-NHYWBVRUSA-N 0 0 279.343 3.255 10 30 CGEERN Cc1nn(-c2ccccc2)cc1NC(=O)N1C[C@@H]2CCC[C@H]21 ZINC000329701182 279184050 /nfs/dbraw/zinc/18/40/50/279184050.db2.gz HFUHTUAPLJMGIS-XJKSGUPXSA-N 0 0 296.374 3.211 10 30 CGEERN C[C@H]1CN(c2ccc(C#N)c(Cl)c2)CCS1 ZINC000110540982 279880459 /nfs/dbraw/zinc/88/04/59/279880459.db2.gz QKDSQDVGXJUFER-VIFPVBQESA-N 0 0 252.770 3.153 10 30 CGEERN C[C@@]1(O)CC(=O)C=C(c2ccc(C(F)(F)F)cc2)C1 ZINC000040174986 289204038 /nfs/dbraw/zinc/20/40/38/289204038.db2.gz WNICRISRFVWDAF-ZDUSSCGKSA-N 0 0 270.250 3.203 10 30 CGEERN [NH3+][C@H](/C=N/[O-])c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000044830782 295326797 /nfs/dbraw/zinc/32/67/97/295326797.db2.gz DIQCUSJNWHOORW-AVNKHNIGSA-N 0 0 286.175 3.184 10 30 CGEERN C[C@H]1OCC[C@H]1NC(=O)N[C@H]1CCCCC12CCCC2 ZINC000330179193 300622982 /nfs/dbraw/zinc/62/29/82/300622982.db2.gz FFXPEEXPJXVZLB-MCIONIFRSA-N 0 0 280.412 3.170 10 30 CGEERN CC(C)[C@@H](C)CC(=O)N[C@@H](C#N)C1CCCCC1 ZINC000176576014 329176983 /nfs/dbraw/zinc/17/69/83/329176983.db2.gz NTQBYWVCDUYMPB-JSGCOSHPSA-N 0 0 250.386 3.257 10 30 CGEERN C=CCOCCCC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000173268074 329144265 /nfs/dbraw/zinc/14/42/65/329144265.db2.gz DUBBAOIUUAMVFZ-RYUDHWBXSA-N 0 0 293.329 3.207 10 30 CGEERN C=CCCCC(=O)NC1CCN(c2cccs2)CC1 ZINC000176162111 329172410 /nfs/dbraw/zinc/17/24/10/329172410.db2.gz WITOZMGHILWGGQ-UHFFFAOYSA-N 0 0 278.421 3.189 10 30 CGEERN CC(C)[C@@H](C)CC(=O)N[C@H](C#N)C1CCCCC1 ZINC000176576046 329176967 /nfs/dbraw/zinc/17/69/67/329176967.db2.gz NTQBYWVCDUYMPB-GXTWGEPZSA-N 0 0 250.386 3.257 10 30 CGEERN C=C(C)CN(C)C(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000181287725 329229623 /nfs/dbraw/zinc/22/96/23/329229623.db2.gz SQVDEHRRPSNNED-CQSZACIVSA-N 0 0 298.390 3.151 10 30 CGEERN Cc1cc(Cl)ccc1C(=O)N[C@H]1CCC[C@H]1C#N ZINC000223201282 329234855 /nfs/dbraw/zinc/23/48/55/329234855.db2.gz CYYFZUPJCLQBSV-GWCFXTLKSA-N 0 0 262.740 3.071 10 30 CGEERN C=C(C)CNC(=O)N[C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000156558130 334744280 /nfs/dbraw/zinc/74/42/80/334744280.db2.gz WVZLOOUWORLBRY-SWLSCSKDSA-N 0 0 258.365 3.104 10 30 CGEERN Cc1cc(C#N)ccc1-c1nc([C@H]2CC23CC3)no1 ZINC000578308810 335598342 /nfs/dbraw/zinc/59/83/42/335598342.db2.gz WRELBDLQNFHZTD-GFCCVEGCSA-N 0 0 251.289 3.184 10 30 CGEERN CC(C)CN(CC[NH+](C)C)c1ccc(Cl)cc1C#N ZINC000052859744 519717035 /nfs/dbraw/zinc/71/70/35/519717035.db2.gz LDSMTBUBRSUVCV-UHFFFAOYSA-N 0 0 279.815 3.236 10 30 CGEERN Cc1ccc(-n2cccn2)cc1NC(=O)N1C[C@@H]2CCC[C@H]21 ZINC000330031161 534240044 /nfs/dbraw/zinc/24/00/44/534240044.db2.gz STVNBLVUFMKGDM-XJKSGUPXSA-N 0 0 296.374 3.211 10 30 CGEERN CCCCCCCNc1ccccc1CC(=O)NC ZINC000059434575 520060076 /nfs/dbraw/zinc/06/00/76/520060076.db2.gz PFZSXEIEIUBULK-UHFFFAOYSA-N 0 0 262.397 3.357 10 30 CGEERN CCOc1cccc(CN[C@@H]2CCCC[C@@H]2C#N)c1 ZINC000054825525 521371541 /nfs/dbraw/zinc/37/15/41/521371541.db2.gz CMOKZTWOOOJZKA-GDBMZVCRSA-N 0 0 258.365 3.257 10 30 CGEERN CC[C@@H]1CCCN(c2cc(Cl)ccc2/C(N)=N/O)C1 ZINC000062789374 523254431 /nfs/dbraw/zinc/25/44/31/523254431.db2.gz XEYWTNIRMZQZTI-SNVBAGLBSA-N 0 0 281.787 3.061 10 30 CGEERN Cc1cccc(CNc2cc(C)nc(C)c2C#N)c1 ZINC000157399483 524441648 /nfs/dbraw/zinc/44/16/48/524441648.db2.gz SXVYQUBRUFLGTQ-UHFFFAOYSA-N 0 0 251.333 3.491 10 30 CGEERN Cc1cc(=O)[nH]c(S[C@@H](CC#N)c2ccccc2)n1 ZINC000055022490 525344409 /nfs/dbraw/zinc/34/44/09/525344409.db2.gz LROSVOMTIVNBBZ-LBPRGKRZSA-N 0 0 271.345 3.238 10 30 CGEERN Cc1nc(-c2cccc(NC(=O)N3C[C@@H]4CCC[C@H]43)c2)no1 ZINC000329927853 534860010 /nfs/dbraw/zinc/86/00/10/534860010.db2.gz LYLVXCIFZDSDBW-GXTWGEPZSA-N 0 0 298.346 3.075 10 30 CGEERN Cc1csc(S[C@@H](C/C(N)=N/O)c2ccccc2)n1 ZINC000055022943 526399393 /nfs/dbraw/zinc/39/93/93/526399393.db2.gz PQZUDPOFMRKFOL-NSHDSACASA-N 0 0 293.417 3.421 10 30 CGEERN N#CCc1noc(-c2ccc(-c3ccccc3)cc2)n1 ZINC000073641287 526487391 /nfs/dbraw/zinc/48/73/91/526487391.db2.gz RQMWNVPZLQHXTF-UHFFFAOYSA-N 0 0 261.284 3.470 10 30 CGEERN N#Cc1nc(-c2ccc(-c3cccs3)s2)oc1NN ZINC000053994368 526784561 /nfs/dbraw/zinc/78/45/61/526784561.db2.gz LLRTXXMETNNUIF-UHFFFAOYSA-N 0 0 288.357 3.289 10 30 CGEERN CC(C)(c1noc(C2(C#N)CCCC2)n1)C1CCC1 ZINC000333069045 527381124 /nfs/dbraw/zinc/38/11/24/527381124.db2.gz GCJXKGPMAJEPDQ-UHFFFAOYSA-N 0 0 259.353 3.483 10 30 CGEERN CC1(C)C[C@H]1CNC(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000330198186 527756138 /nfs/dbraw/zinc/75/61/38/527756138.db2.gz SXBUXGMFYURKAY-PMPSAXMXSA-N 0 0 297.402 3.186 10 30 CGEERN CC(C)c1nc([C@H]2CCCN2CC2(C#N)CCC2)no1 ZINC000333514276 528318969 /nfs/dbraw/zinc/31/89/69/528318969.db2.gz FVHLOGWHWNEVQY-GFCCVEGCSA-N 0 0 274.368 3.024 10 30 CGEERN C/C=C1/CN2[C@H]3C[C@@H]1[C@H](C=O)[C@@H]2Cc1c2ccccc2[nH]c13 ZINC000014767986 560225955 /nfs/dbraw/zinc/22/59/55/560225955.db2.gz MHASSCPGKAMILD-MIOJWWSHSA-N 0 0 292.382 3.231 10 30 in-vitro CGEERN C=C(Cl)CC(=O)CN(C(=O)OC(C)(C)C)C1CC1 ZINC000685959415 570406583 /nfs/dbraw/zinc/40/65/83/570406583.db2.gz VOWDZCFQUCMIMB-UHFFFAOYSA-N 0 0 273.760 3.098 10 30 CGEERN C#CCN(CC#C)C(=O)[C@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000175723429 617645228 /nfs/dbraw/zinc/64/52/28/617645228.db2.gz ZPUSNFAJJMGOJS-ROUUACIJSA-N 0 0 279.383 3.009 10 30 CGEERN N#C[C@H](OC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1)C1CC1 ZINC000177041660 618776535 /nfs/dbraw/zinc/77/65/35/618776535.db2.gz UCRIYLHUYKXLJZ-IHRRRGAJSA-N 0 0 275.735 3.289 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NCc1cncc2ccccc21 ZINC000164966962 622852490 /nfs/dbraw/zinc/85/24/90/622852490.db2.gz AYPXNFWLQGNTMO-WBMJQRKESA-N 0 0 251.333 3.017 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1cc(Cl)nc2ccccc21 ZINC000061890281 623186416 /nfs/dbraw/zinc/18/64/16/623186416.db2.gz YXAMJXZJJXHVGB-GWCFXTLKSA-N 0 0 299.761 3.310 10 30 CGEERN Cc1c(/C=C\C(=O)c2ccc(OC(F)F)cc2)cnn1C ZINC000033523244 624344250 /nfs/dbraw/zinc/34/42/50/624344250.db2.gz VKCPTPBTHWQIQX-YVMONPNESA-N 0 0 292.285 3.226 10 30 CGEERN CCOc1ccccc1[C@H](CC=O)NC(=O)OC(C)(C)C ZINC000238258855 624756660 /nfs/dbraw/zinc/75/66/60/624756660.db2.gz DKLCKFHUAGTASC-ZDUSSCGKSA-N 0 0 293.363 3.240 10 30 CGEERN Cc1cc(C#N)ccc1OS(=O)(=O)/C=C/c1ccccc1 ZINC000101579998 634202654 /nfs/dbraw/zinc/20/26/54/634202654.db2.gz LJYIIISMOLHPRT-MDZDMXLPSA-N 0 0 299.351 3.246 10 30 CGEERN COc1ccc(O)cc1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000588409740 799690311 /nfs/dbraw/zinc/69/03/11/799690311.db2.gz UVNVFYDRLTWANW-ALCCZGGFSA-N 0 0 299.282 3.205 10 30 CGEERN C/C(=C/C(=O)OCC(C)(C)C#N)c1ccc(F)cc1 ZINC000588419030 799692902 /nfs/dbraw/zinc/69/29/02/799692902.db2.gz BZJHJZBZHWJMFX-FLIBITNWSA-N 0 0 261.296 3.322 10 30 CGEERN C[C@H]1CCCC(=CNc2ccc3c(c2)OCO3)C1=O ZINC000103856557 230393406 /nfs/dbraw/zinc/39/34/06/230393406.db2.gz UHMAKKFDRQVDAF-NGPGYTDTSA-N 0 0 259.305 3.100 10 30 CGEERN COc1ccc2c(c1)/C(=C\c1ccc(O)cc1)C(=O)CC2 ZINC000095574804 185011592 /nfs/dbraw/zinc/01/15/92/185011592.db2.gz FARRSICDZZUUSZ-LICLKQGHSA-N 0 0 280.323 3.457 10 30 CGEERN N#Cc1c(N)occ1-c1cc(Br)cs1 ZINC000082574665 178115099 /nfs/dbraw/zinc/11/50/99/178115099.db2.gz PRUJWZAAKWUSJU-UHFFFAOYSA-N 0 0 269.123 3.224 10 30 CGEERN CCc1sc(C(=O)N[C@H]2CCC[C@@H]2C#N)cc1C ZINC000336080211 529770602 /nfs/dbraw/zinc/77/06/02/529770602.db2.gz AFYLYYMLMGUQCU-MNOVXSKESA-N 0 0 262.378 3.041 10 30 CGEERN CCc1nnc(N[C@@H]2CCC[C@H]3C[C@H]32)c(C#N)c1CC ZINC000591992772 346953932 /nfs/dbraw/zinc/95/39/32/346953932.db2.gz MAZJUBRWPWGSFE-JVLSTEMRSA-N 0 0 270.380 3.074 10 30 CGEERN C[C@@H](CC#N)Nc1ccc(I)cc1 ZINC000037871345 344953092 /nfs/dbraw/zinc/95/30/92/344953092.db2.gz DUKRUGVBEKEJGV-QMMMGPOBSA-N 0 0 286.116 3.005 10 30 CGEERN CC(C)(C)N1C[C@@H](c2ccc(F)cc2F)[C@H](C#N)C1 ZINC000034442518 344939601 /nfs/dbraw/zinc/93/96/01/344939601.db2.gz LSMMKNSKGIKZEZ-ZWNOBZJWSA-N 0 0 264.319 3.302 10 30 CGEERN CCOc1cc(CC#N)cc(OCC)c1SC ZINC000037628360 344951750 /nfs/dbraw/zinc/95/17/50/344951750.db2.gz NZKDNFPYCGKBQL-UHFFFAOYSA-N 0 0 251.351 3.272 10 30 CGEERN Cc1cc(NCCc2ccsc2)c(C#N)c(C)n1 ZINC000127346368 187298612 /nfs/dbraw/zinc/29/86/12/187298612.db2.gz UHDADJWAARCATH-UHFFFAOYSA-N 0 0 257.362 3.286 10 30 CGEERN C=C(Br)COc1cncc(Br)c1 ZINC000070043615 345387501 /nfs/dbraw/zinc/38/75/01/345387501.db2.gz CCTJLENFBPTYDR-UHFFFAOYSA-N 0 0 292.958 3.132 10 30 CGEERN Nc1cc(C(=O)C2=CCCC2)ccc1Br ZINC000070671430 345392639 /nfs/dbraw/zinc/39/26/39/345392639.db2.gz UYMLWRNFSWNJIS-UHFFFAOYSA-N 0 0 266.138 3.324 10 30 CGEERN C[C@@H](CC#N)N(C)c1cc(C#N)c2cc(Cl)ccc2n1 ZINC000092663254 345851069 /nfs/dbraw/zinc/85/10/69/345851069.db2.gz PPYNHXQFLJWDED-JTQLQIEISA-N 0 0 284.750 3.498 10 30 CGEERN C[C@H](C#N)NC(=O)c1ccccc1Oc1ccccc1 ZINC000125649717 346018466 /nfs/dbraw/zinc/01/84/66/346018466.db2.gz XYBDVIJYYSVJDD-GFCCVEGCSA-N 0 0 266.300 3.121 10 30 CGEERN C#C[C@@H](C)Nc1c(F)cc(F)cc1Br ZINC000135165806 346086441 /nfs/dbraw/zinc/08/64/41/346086441.db2.gz AWSIXXCEFPWFMQ-ZCFIWIBFSA-N 0 0 260.081 3.161 10 30 CGEERN FC(F)C(F)(F)N(C(F)(F)F)C(F)(F)F ZINC000140935563 346107042 /nfs/dbraw/zinc/10/70/42/346107042.db2.gz HIBWQLSRUJYWOG-UHFFFAOYSA-N 0 0 253.039 3.186 10 30 CGEERN CC(C)(C)OC(=O)N[C@@](C)(C=O)c1ccc(Cl)cc1 ZINC000142321730 346110643 /nfs/dbraw/zinc/11/06/43/346110643.db2.gz QQQRNYGDDXKYMW-AWEZNQCLSA-N 0 0 283.755 3.279 10 30 CGEERN CC(=O)ON(C(C)=O)C1c2ccccc2-c2ccccc21 ZINC000144372426 346117747 /nfs/dbraw/zinc/11/77/47/346117747.db2.gz DJKAOMYVWOWDDT-UHFFFAOYSA-N 0 0 281.311 3.083 10 30 CGEERN COC1(c2ccc(F)cc2)CCC(=NOC(C)=O)CC1 ZINC000145758068 346121461 /nfs/dbraw/zinc/12/14/61/346121461.db2.gz UGMGRUUEEHTIPD-UHFFFAOYSA-N 0 0 279.311 3.161 10 30 CGEERN CCC1(Nc2nc(SC)ncc2C#N)CCCC1 ZINC000145826074 346121608 /nfs/dbraw/zinc/12/16/08/346121608.db2.gz VHMAMIHFROOYEO-UHFFFAOYSA-N 0 0 262.382 3.205 10 30 CGEERN C(#CC[NH+]1CCCC1)CCC1SCCCS1 ZINC000148140944 346127617 /nfs/dbraw/zinc/12/76/17/346127617.db2.gz YNQHZALJQNBSGA-UHFFFAOYSA-N 0 0 255.452 3.062 10 30 CGEERN CSc1ccc(C(=O)C#CC2(O)CCCCC2)cc1 ZINC000148718235 346128868 /nfs/dbraw/zinc/12/88/68/346128868.db2.gz YVONYCDXPYSFAX-UHFFFAOYSA-N 0 0 274.385 3.290 10 30 CGEERN C[C@H](C#N)C(=O)c1cccc(Br)c1Cl ZINC000160400335 346170697 /nfs/dbraw/zinc/17/06/97/346170697.db2.gz TZHCWPJHSCLTHP-ZCFIWIBFSA-N 0 0 272.529 3.445 10 30 CGEERN C[C@@H](C#N)C(=O)c1cccc(Br)c1Cl ZINC000160400197 346170839 /nfs/dbraw/zinc/17/08/39/346170839.db2.gz TZHCWPJHSCLTHP-LURJTMIESA-N 0 0 272.529 3.445 10 30 CGEERN C#CC[C@@H](CC)Nc1cc(C)c(Br)cn1 ZINC000162936929 346180208 /nfs/dbraw/zinc/18/02/08/346180208.db2.gz OFXLROBIGMYXCE-SNVBAGLBSA-N 0 0 267.170 3.366 10 30 CGEERN Nc1cc(Br)cc(C(=O)C2=CCCC2)c1 ZINC000166267730 346185915 /nfs/dbraw/zinc/18/59/15/346185915.db2.gz CKWDRCBOMZOXLB-UHFFFAOYSA-N 0 0 266.138 3.324 10 30 CGEERN C#CCC(=O)c1ccc(Br)c(Cl)c1 ZINC000167710245 346188981 /nfs/dbraw/zinc/18/89/81/346188981.db2.gz UOYJGONYTIMISA-UHFFFAOYSA-N 0 0 257.514 3.309 10 30 CGEERN CCCC(=O)/C=C/C=C/C=C\C#CC#CCCC=O ZINC000222026466 346298385 /nfs/dbraw/zinc/29/83/85/346298385.db2.gz XMZQRTVYENCUHA-HGBMKXHTSA-N 0 0 254.329 3.010 10 30 CGEERN [O-]/[N+](=C\c1ccc(OC(F)F)cc1)c1ccccc1 ZINC000225402833 346303727 /nfs/dbraw/zinc/30/37/27/346303727.db2.gz VXIWSFQPMVDRDX-YVLHZVERSA-N 0 0 264.251 3.440 10 30 CGEERN C=C(Cl)CNc1cc(Cl)nc(SC)n1 ZINC000229316005 346316959 /nfs/dbraw/zinc/31/69/59/346316959.db2.gz PSEUIHZSSLFXPZ-UHFFFAOYSA-N 0 0 250.154 3.016 10 30 CGEERN C#CC(=O)c1cc(Br)sc1Br ZINC000232484695 346325912 /nfs/dbraw/zinc/32/59/12/346325912.db2.gz HWHWUSNDYREYFU-UHFFFAOYSA-N 0 0 293.967 3.089 10 30 CGEERN COc1ccc(C=Nc2ccc(N(C)C(C)=O)cc2)cc1 ZINC000254908192 346395681 /nfs/dbraw/zinc/39/56/81/346395681.db2.gz PQCQKCZFNNKTSZ-UHFFFAOYSA-N 0 0 282.343 3.429 10 30 CGEERN CCO[C@H](C#N)c1cccc(F)c1Br ZINC000307244480 346460694 /nfs/dbraw/zinc/46/06/94/346460694.db2.gz LGNRCPIIPHLOSP-SECBINFHSA-N 0 0 258.090 3.189 10 30 CGEERN N#Cc1cc(O)cc(C(F)(F)F)c1C(F)(F)F ZINC000514261039 346635784 /nfs/dbraw/zinc/63/57/84/346635784.db2.gz UBGLLUBSODPODK-UHFFFAOYSA-N 0 0 255.117 3.301 10 30 CGEERN N#Cc1cc(N)c(C(F)(F)F)c(C(F)(F)F)c1 ZINC000514264296 346636421 /nfs/dbraw/zinc/63/64/21/346636421.db2.gz VFNNYUSKCJGNFB-UHFFFAOYSA-N 0 0 254.133 3.178 10 30 CGEERN N#C[C@@H](c1cncs1)[C@@H](CCO)c1cc(F)ccc1F ZINC000584639341 346702248 /nfs/dbraw/zinc/70/22/48/346702248.db2.gz RGPIUFFMDBXXSN-CMPLNLGQSA-N 0 0 294.326 3.195 10 30 CGEERN N#Cc1ccccc1C#C[C@@](O)(c1ccccc1)C1(C#N)CC1 ZINC000584598668 346689017 /nfs/dbraw/zinc/68/90/17/346689017.db2.gz MPSJLAIOPGCXFI-HXUWFJFHSA-N 0 0 298.345 3.101 10 30 CGEERN C=C(C)C[C@H](OP(=O)(OCC)OCC)C(=O)OCC ZINC000584603151 346690270 /nfs/dbraw/zinc/69/02/70/346690270.db2.gz MNXDTFNZDSAOHH-NSHDSACASA-N 0 0 294.284 3.082 10 30 CGEERN C=C(C(=O)OC)[C@@H](F)c1cccc(Br)c1 ZINC000584606818 346691328 /nfs/dbraw/zinc/69/13/28/346691328.db2.gz YZGFUYRULLZTQT-SNVBAGLBSA-N 0 0 273.101 3.189 10 30 CGEERN COc1cccc2c1CC[C@@H]([C@@H]1C=CC(=O)CC1)C2 ZINC000584624722 346696741 /nfs/dbraw/zinc/69/67/41/346696741.db2.gz MELSYDQRRQLXEN-CHWSQXEVSA-N 0 0 256.345 3.335 10 30 CGEERN CS(=O)(=O)O[C@H]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000584631466 346699029 /nfs/dbraw/zinc/69/90/29/346699029.db2.gz TURZFEFXOVBUHY-ZDUSSCGKSA-N 0 0 286.780 3.252 10 30 CGEERN O=C(/C=C\N1CCCCCC1)C(F)(F)C(F)(F)F ZINC000102637286 185783878 /nfs/dbraw/zinc/78/38/78/185783878.db2.gz NYYGZPNWRALSGA-YVMONPNESA-N 0 0 271.229 3.143 10 30 CGEERN N#C[C@H]1CCCC[C@H]1NCc1nc2c(s1)CCCC2 ZINC000597196497 347550977 /nfs/dbraw/zinc/55/09/77/347550977.db2.gz DNYHVNCNJGWJNS-VXGBXAGGSA-N 0 0 275.421 3.194 10 30 CGEERN COC(=O)N1CCCCC[C@@H]1c1cccc(C#N)c1 ZINC000616626273 348851150 /nfs/dbraw/zinc/85/11/50/348851150.db2.gz ARFNYRIGBFOGHL-CQSZACIVSA-N 0 0 258.321 3.242 10 30 CGEERN N#Cc1ccc2[nH]c(-c3ccccc3-c3ncc[nH]3)nc2c1 ZINC000090567725 180006749 /nfs/dbraw/zinc/00/67/49/180006749.db2.gz RDNCOYGFPNTZBD-UHFFFAOYSA-N 0 0 285.310 3.492 10 30 CGEERN N#Cc1ccc(-c2ccc(Br)nc2)cc1 ZINC000044121315 283118700 /nfs/dbraw/zinc/11/87/00/283118700.db2.gz RFCJACZHGOJSKN-UHFFFAOYSA-N 0 0 259.106 3.383 10 30 CGEERN N#Cc1cc(F)ccc1NC(=O)[C@H]1CCCCC1(F)F ZINC000297647331 200252463 /nfs/dbraw/zinc/25/24/63/200252463.db2.gz IXNMCOBADUTZPF-LLVKDONJSA-N 0 0 282.265 3.461 10 30 CGEERN CN(C(=O)[C@H]1CCCCC1(F)F)c1ccc(C#N)cc1 ZINC000297700265 200264681 /nfs/dbraw/zinc/26/46/81/200264681.db2.gz MEEUHECOUNPAEU-CYBMUJFWSA-N 0 0 278.302 3.347 10 30 CGEERN CCn1c(C)nnc1CSc1ccc(C#N)cc1Cl ZINC000178831484 189149432 /nfs/dbraw/zinc/14/94/32/189149432.db2.gz WMAXEYFDNSZSNM-UHFFFAOYSA-N 0 0 292.795 3.424 10 30 CGEERN N#Cc1cc(F)ccc1NCc1ccnc(OCC2CC2)c1 ZINC000301394606 200996609 /nfs/dbraw/zinc/99/66/09/200996609.db2.gz KNRZCYLEEIEFJY-UHFFFAOYSA-N 0 0 297.333 3.493 10 30 CGEERN CC[S@](=O)[C@H]1CCC[C@@H](Nc2ccc(F)cc2C#N)C1 ZINC000301592932 201084782 /nfs/dbraw/zinc/08/47/82/201084782.db2.gz XYCYUFRWPIPKNK-CKNLXJGOSA-N 0 0 294.395 3.189 10 30 CGEERN COCCOc1cccc(Nc2cc(C)nc(C)c2C#N)c1 ZINC000301800360 201206501 /nfs/dbraw/zinc/20/65/01/201206501.db2.gz VQOHINQDMYYATM-UHFFFAOYSA-N 0 0 297.358 3.339 10 30 CGEERN N#Cc1cccc(Oc2cccc(Cl)c2C#N)n1 ZINC000301848040 201229965 /nfs/dbraw/zinc/22/99/65/201229965.db2.gz NTXONFVXFWGQMA-UHFFFAOYSA-N 0 0 255.664 3.271 10 30 CGEERN CCc1cc(Oc2ccc(C#N)c(F)c2)nc(C)n1 ZINC000302071633 201331617 /nfs/dbraw/zinc/33/16/17/201331617.db2.gz YRPFDACFMBOXMQ-UHFFFAOYSA-N 0 0 257.268 3.151 10 30 CGEERN CC(=O)c1ccc(C#N)cc1NCc1ccccc1[N+](=O)[O-] ZINC000302104530 201343369 /nfs/dbraw/zinc/34/33/69/201343369.db2.gz MVHNVNPVOOQLAJ-UHFFFAOYSA-N 0 0 295.298 3.281 10 30 CGEERN N#Cc1cc(C(F)(F)F)c(N)c(C(F)(F)F)c1 ZINC000002540297 368461697 /nfs/dbraw/zinc/46/16/97/368461697.db2.gz LAOYKZXANJZURG-UHFFFAOYSA-N 0 0 254.133 3.178 10 30 CGEERN N#Cc1ccc(C(=O)c2c(N)sc3c2CCCC3)cc1 ZINC000013558665 368657276 /nfs/dbraw/zinc/65/72/76/368657276.db2.gz HKSSBTZHZMSMQZ-UHFFFAOYSA-N 0 0 282.368 3.312 10 30 CGEERN CCc1cc(C(C)=O)c(O)cc1OCCCCC#N ZINC000013650528 368660204 /nfs/dbraw/zinc/66/02/04/368660204.db2.gz HBKMRHOPURGOBR-UHFFFAOYSA-N 0 0 261.321 3.230 10 30 CGEERN COC(=O)c1ccccc1C(=O)/C=C/c1ccccc1 ZINC000013827269 368668927 /nfs/dbraw/zinc/66/89/27/368668927.db2.gz ZBPQAHGQYOTENT-VAWYXSNFSA-N 0 0 266.296 3.369 10 30 CGEERN N#C[C@@H](CCN1CCOCC1)c1cccc2ccccc21 ZINC000031622632 368915545 /nfs/dbraw/zinc/91/55/45/368915545.db2.gz WHKRMZWZYJGMCN-MRXNPFEDSA-N 0 0 280.371 3.169 10 30 CGEERN CC(=[NH+][N-]c1ccccc1[N+](=O)[O-])c1ccc(N)cc1 ZINC000035004803 368988012 /nfs/dbraw/zinc/98/80/12/368988012.db2.gz XBMOUFVOGXLWIM-YBEGLDIGSA-N 0 0 270.292 3.013 10 30 CGEERN COc1ccc(Nc2nnc(C)c(C)c2C#N)cc1C ZINC000048439617 369351305 /nfs/dbraw/zinc/35/13/05/369351305.db2.gz AIOFBJXHERDVKU-UHFFFAOYSA-N 0 0 268.320 3.026 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NCc1ccc(F)c(Cl)c1 ZINC000054830017 369507287 /nfs/dbraw/zinc/50/72/87/369507287.db2.gz NQDORBMNWCTHIV-GWCFXTLKSA-N 0 0 252.720 3.261 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000061888940 369609745 /nfs/dbraw/zinc/60/97/45/369609745.db2.gz CARLJFXNHBJORP-SKDRFNHKSA-N 0 0 283.158 3.415 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)c1ccc(Cl)cc1Cl ZINC000061888355 369609780 /nfs/dbraw/zinc/60/97/80/369609780.db2.gz DXJODVRQHJKFRS-PRHODGIISA-N 0 0 283.158 3.415 10 30 CGEERN COc1ccc(CN[C@@H]2CCC[C@H]2C#N)c(Cl)c1OC ZINC000110823284 370389182 /nfs/dbraw/zinc/38/91/82/370389182.db2.gz ZSBJIACNFHMPOS-CMPLNLGQSA-N 0 0 294.782 3.139 10 30 CGEERN C[C@@H](CC1CC1)NC(=O)Nc1ccc(F)c(C#N)c1 ZINC000112737862 370448340 /nfs/dbraw/zinc/44/83/40/370448340.db2.gz MSVNRGJYFLSRQY-VIFPVBQESA-N 0 0 261.300 3.007 10 30 CGEERN Cc1ccc([C@H](C)NC(=O)c2ccc(C#N)cc2C)o1 ZINC000161532910 372332773 /nfs/dbraw/zinc/33/27/73/372332773.db2.gz KJVUGXGFFGVTHD-LBPRGKRZSA-N 0 0 268.316 3.259 10 30 CGEERN Cc1c(C#N)cccc1NC(=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000178383307 373772098 /nfs/dbraw/zinc/77/20/98/373772098.db2.gz CABPGVMENAVDFP-PXAZEXFGSA-N 0 0 292.338 3.370 10 30 CGEERN C[C@@H](Cc1cccc(F)c1)Nc1ccc(C#N)cn1 ZINC000301278374 373724948 /nfs/dbraw/zinc/72/49/48/373724948.db2.gz JLXIIBFKZLODQB-NSHDSACASA-N 0 0 255.296 3.135 10 30 CGEERN N#Cc1cc(Cl)ccc1NC[C@H](O)C1CCCC1 ZINC000301289068 373733083 /nfs/dbraw/zinc/73/30/83/373733083.db2.gz OCEIAFNFNNSUNQ-AWEZNQCLSA-N 0 0 264.756 3.175 10 30 CGEERN CC[C@H](CCO)Nc1cc(C#N)c2cc(Cl)ccc2n1 ZINC000301337233 373750771 /nfs/dbraw/zinc/75/07/71/373750771.db2.gz GYRNKZRWOMZQHL-GFCCVEGCSA-N 0 0 289.766 3.333 10 30 CGEERN Cc1nn(C)cc1[C@H](C)NC(=O)C[C@@H]1CCCCC(=O)N1 ZINC000328676788 374374888 /nfs/dbraw/zinc/37/48/88/374374888.db2.gz RWDNHDJIGIVEHF-JQWIXIFHSA-N 0 0 292.383 3.035 10 30 CGEERN Cn1cc([C@H]2OCC[C@@H]2NC(=O)C2=CCCCCC2)cn1 ZINC000328633974 374371076 /nfs/dbraw/zinc/37/10/76/374371076.db2.gz SYRYCHSUMXLTGZ-LSDHHAIUSA-N 0 0 289.379 3.097 10 30 CGEERN C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C ZINC000328997337 374398753 /nfs/dbraw/zinc/39/87/53/374398753.db2.gz FTBOYROBXCUIBZ-RGCMKSIDSA-N 0 0 291.395 3.033 10 30 CGEERN C[C@@H]1CCC[C@H](NC(=O)N[C@H]2CCC(=O)NC23CCC3)C1 ZINC000328731810 374378897 /nfs/dbraw/zinc/37/88/97/374378897.db2.gz GTRFODTXKGCRKP-AGIUHOORSA-N 0 0 293.411 3.110 10 30 CGEERN CCn1ccnc1CSc1nc2c(cc1C#N)CCCC2 ZINC000195517305 376109964 /nfs/dbraw/zinc/10/99/64/376109964.db2.gz KXITUQXXOHSXAN-UHFFFAOYSA-N 0 0 298.415 3.341 10 30 CGEERN C=C[C@H](CC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1ccccc1 ZINC000245613630 376867177 /nfs/dbraw/zinc/86/71/77/376867177.db2.gz CGIHBCIIFMSPKE-AETAKHFUSA-N 0 0 299.414 3.276 10 30 CGEERN C=C(C)[C@H](NC(=O)N[C@H]1C[C@@H]1C)c1ccc(F)c(F)c1 ZINC000248507911 377332561 /nfs/dbraw/zinc/33/25/61/377332561.db2.gz ZDTAJRGUWBTWQO-HERUPUMHSA-N 0 0 280.318 3.290 10 30 CGEERN CCOC(=O)Cc1cc(CC)c(C#N)c(C(F)F)c1 ZINC000575389720 377897653 /nfs/dbraw/zinc/89/76/53/377897653.db2.gz MHBOJDQMBIEZQG-UHFFFAOYSA-N 0 0 267.275 3.164 10 30 CGEERN COC(=O)c1cc(C(F)(F)F)c(C#N)c(C(F)(F)F)c1 ZINC000575341181 377882581 /nfs/dbraw/zinc/88/25/81/377882581.db2.gz NTSVIWZPVGDUGO-UHFFFAOYSA-N 0 0 297.154 3.382 10 30 CGEERN COC(=O)c1c(C(F)F)cc(C#N)cc1C(F)(F)F ZINC000575344066 377883558 /nfs/dbraw/zinc/88/35/58/377883558.db2.gz NZVRQSMKKXFDTB-UHFFFAOYSA-N 0 0 279.164 3.301 10 30 CGEERN COC(=O)c1cc(C(F)F)cc(C#N)c1C(F)(F)F ZINC000575344118 377883597 /nfs/dbraw/zinc/88/35/97/377883597.db2.gz OUHCPBSXDSEQBY-UHFFFAOYSA-N 0 0 279.164 3.301 10 30 CGEERN CCOC(=O)c1cc(O)c(SC(F)(F)F)c(C#N)c1 ZINC000575392043 377900351 /nfs/dbraw/zinc/90/03/51/377900351.db2.gz NADLIIJOODDBON-UHFFFAOYSA-N 0 0 291.250 3.052 10 30 CGEERN CCOC(=O)Cc1c(Cl)c(C#N)ccc1C(F)(F)F ZINC000575383117 377893892 /nfs/dbraw/zinc/89/38/92/377893892.db2.gz IDHGIKQRJADCSC-UHFFFAOYSA-N 0 0 291.656 3.336 10 30 CGEERN CCOC(=O)c1cc(C#N)c(C(F)F)cc1OC(F)F ZINC000575385307 377894969 /nfs/dbraw/zinc/89/49/69/377894969.db2.gz JXDAGJALOMTEOQ-UHFFFAOYSA-N 0 0 291.200 3.274 10 30 CGEERN CCOC(=O)c1cc(CC)c(C(F)(F)F)cc1C#N ZINC000575389229 377896408 /nfs/dbraw/zinc/89/64/08/377896408.db2.gz CNMYWUWWDLVCQI-UHFFFAOYSA-N 0 0 271.238 3.316 10 30 CGEERN CCc1cc(I)c(C#N)c(CC)c1 ZINC000575652426 377929547 /nfs/dbraw/zinc/92/95/47/377929547.db2.gz RFNMDSIOMCQDJO-UHFFFAOYSA-N 0 0 285.128 3.288 10 30 CGEERN N#CCc1cc(OC(F)F)c([N+](=O)[O-])cc1C(F)F ZINC000575652561 377930508 /nfs/dbraw/zinc/93/05/08/377930508.db2.gz IDFOMCZRVLIZLC-UHFFFAOYSA-N 0 0 278.161 3.200 10 30 CGEERN CCOc1c(OC(F)F)ccc(CC#N)c1CC ZINC000575656805 377933442 /nfs/dbraw/zinc/93/34/42/377933442.db2.gz SIMMYSUWAZDDEQ-UHFFFAOYSA-N 0 0 255.264 3.315 10 30 CGEERN N#Cc1c(F)c(OC(F)F)ccc1C(F)(F)F ZINC000575660812 377937459 /nfs/dbraw/zinc/93/74/59/377937459.db2.gz ZFBDCFZGPNCSEV-UHFFFAOYSA-N 0 0 255.117 3.318 10 30 CGEERN N#Cc1cc(OC(F)(F)F)cc(F)c1OC(F)F ZINC000575660603 377937466 /nfs/dbraw/zinc/93/74/66/377937466.db2.gz UQSBBPMMQKTIJZ-UHFFFAOYSA-N 0 0 271.116 3.197 10 30 CGEERN N#CCc1cc(C(F)(F)F)c(O)cc1OC(F)F ZINC000575661795 377938308 /nfs/dbraw/zinc/93/83/08/377938308.db2.gz MCOVHKFXCVGURG-UHFFFAOYSA-N 0 0 267.153 3.078 10 30 CGEERN Cc1cc(C#N)c(C(F)(F)F)cc1OC(F)F ZINC000575666759 377944036 /nfs/dbraw/zinc/94/40/36/377944036.db2.gz YRIFQTGINYUJLW-UHFFFAOYSA-N 0 0 251.154 3.487 10 30 CGEERN COc1cc(OC(F)F)c(C(F)(F)F)cc1CC#N ZINC000575666726 377944246 /nfs/dbraw/zinc/94/42/46/377944246.db2.gz ZLPHNQJCLKGTBY-UHFFFAOYSA-N 0 0 281.180 3.381 10 30 CGEERN N#Cc1cc(OC(F)F)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575667927 377945507 /nfs/dbraw/zinc/94/55/07/377945507.db2.gz SPFZAQAOQCJVML-UHFFFAOYSA-N 0 0 282.124 3.087 10 30 CGEERN CCOC(=O)c1cc(OCC)cc(C(F)(F)F)c1C#N ZINC000575671399 377947531 /nfs/dbraw/zinc/94/75/31/377947531.db2.gz RNQUFZUZDKMDIZ-UHFFFAOYSA-N 0 0 287.237 3.152 10 30 CGEERN COc1ccc(Br)c(CC#N)c1OC(F)F ZINC000575683025 377957075 /nfs/dbraw/zinc/95/70/75/377957075.db2.gz GYQSAFRCNRUJRB-UHFFFAOYSA-N 0 0 292.079 3.125 10 30 CGEERN COc1c(Br)ccc(CC#N)c1Cl ZINC000575673850 377949359 /nfs/dbraw/zinc/94/93/59/377949359.db2.gz GLTGFOXPZYOORD-UHFFFAOYSA-N 0 0 260.518 3.177 10 30 CGEERN N#Cc1cc(F)cc(OC(F)F)c1Br ZINC000575679652 377953699 /nfs/dbraw/zinc/95/36/99/377953699.db2.gz AAJNNTNOUYWZCZ-UHFFFAOYSA-N 0 0 266.016 3.061 10 30 CGEERN COC(=O)Cc1cc(C)c(C#N)c(SC(F)(F)F)c1 ZINC000575395942 377903945 /nfs/dbraw/zinc/90/39/45/377903945.db2.gz XMKNHYMMJIWADA-UHFFFAOYSA-N 0 0 289.278 3.194 10 30 CGEERN N#Cc1cc(Br)cc(OC(F)F)c1F ZINC000575680361 377954917 /nfs/dbraw/zinc/95/49/17/377954917.db2.gz ORNHLQGKRBPDBQ-UHFFFAOYSA-N 0 0 266.016 3.061 10 30 CGEERN C[C@@H]1CC[C@H](C)[C@@](C#N)(NC(=O)OC(C)(C)C)C1 ZINC000575496632 377915244 /nfs/dbraw/zinc/91/52/44/377915244.db2.gz NFRRFLVCZSYNNI-UHIISALHSA-N 0 0 252.358 3.230 10 30 CGEERN Cc1cc(OC(F)F)cc(C#N)c1Br ZINC000575683760 377958372 /nfs/dbraw/zinc/95/83/72/377958372.db2.gz SDJDSJFERJMKHG-UHFFFAOYSA-N 0 0 262.053 3.231 10 30 CGEERN N#Cc1cc(Br)cc(OC(F)(F)F)c1F ZINC000575689592 377964431 /nfs/dbraw/zinc/96/44/31/377964431.db2.gz UFCWCOQCODNZFY-UHFFFAOYSA-N 0 0 284.006 3.358 10 30 CGEERN CCOc1cc(CC#N)c(C(F)(F)F)cc1OC ZINC000575698372 377971607 /nfs/dbraw/zinc/97/16/07/377971607.db2.gz MTSYXKWGTSQCKM-UHFFFAOYSA-N 0 0 259.227 3.179 10 30 CGEERN CO/N=C1\C[C@H](C)c2c1cccc2Br ZINC000584648011 378396250 /nfs/dbraw/zinc/39/62/50/378396250.db2.gz UBXBASJXHJJFMH-PFIXHJAMSA-N 0 0 254.127 3.307 10 30 CGEERN C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)N2CCC(C#N)CC2)o1 ZINC000407964160 379987585 /nfs/dbraw/zinc/98/75/85/379987585.db2.gz SCSBODAXVUQPCQ-BEAPCOKYSA-N 0 0 298.386 3.269 10 30 CGEERN CC(C)[C@H]1CC[C@H](C(=O)N[C@H]2CCC[C@@H]2C#N)CC1 ZINC000407979174 379987659 /nfs/dbraw/zinc/98/76/59/379987659.db2.gz RLPYJSLOPJLPRK-TUVASFSCSA-N 0 0 262.397 3.257 10 30 CGEERN C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)N2CCC(C#N)CC2)o1 ZINC000407964165 379987840 /nfs/dbraw/zinc/98/78/40/379987840.db2.gz SCSBODAXVUQPCQ-FAAHXZRKSA-N 0 0 298.386 3.269 10 30 CGEERN Cc1ccc(N2CCC[C@@H]2[C@@H]2CCCC[C@]2(C)O)nc1C#N ZINC000408037085 379989090 /nfs/dbraw/zinc/98/90/90/379989090.db2.gz YFVLXZPQWXKPKU-LESCRADOSA-N 0 0 299.418 3.172 10 30 CGEERN Cc1cc(N2CCC(c3nccs3)CC2)cc(C#N)n1 ZINC000357218665 381071802 /nfs/dbraw/zinc/07/18/02/381071802.db2.gz IMYNULJUPIFWLI-UHFFFAOYSA-N 0 0 284.388 3.102 10 30 CGEERN N#Cc1ccc(F)c(CN2CC[C@H](O)c3ccccc3C2)c1 ZINC000367935186 382359611 /nfs/dbraw/zinc/35/96/11/382359611.db2.gz WBIQARDMKLCTBR-SFHVURJKSA-N 0 0 296.345 3.137 10 30 CGEERN C[C@H](NC(=O)CCc1nc2ccccc2o1)[C@@H]1CCCO1 ZINC000328840568 542445283 /nfs/dbraw/zinc/44/52/83/542445283.db2.gz OGLHANDLKGPPEO-AAEUAGOBSA-N 0 0 288.347 3.284 10 30 CGEERN Cc1cnc([C@H](C)NC(=O)[C@H]2CCCCS2)o1 ZINC000329341468 542445985 /nfs/dbraw/zinc/44/59/85/542445985.db2.gz SDPWCMCWBPSEFH-VHSXEESVSA-N 0 0 254.355 3.286 10 30 CGEERN C[C@@H]1OCC[C@H]1NC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000328998613 542446032 /nfs/dbraw/zinc/44/60/32/542446032.db2.gz VCMXHVJYBSCNOW-JOYOIKCWSA-N 0 0 288.347 3.048 10 30 CGEERN C=C[C@H](O)C#CC#CC[C@@H]1O[C@@H]1CCCCCCC ZINC000100777317 260028347 /nfs/dbraw/zinc/02/83/47/260028347.db2.gz GVLDSGIQZAFIAN-BBWFWOEESA-N 0 0 260.377 3.058 10 30 endogenous,in-man CGEERN C=C[C@@](C)(CC)C(=O)N1CCc2c(nc(C(C)C)n2C)C1 ZINC000135043868 392469469 /nfs/dbraw/zinc/46/94/69/392469469.db2.gz MNKCCEMHGLWZBH-KRWDZBQOSA-N 0 0 289.423 3.031 10 30 CGEERN COc1cc(C#N)ccc1CN1CCC[C@@H]1c1ccco1 ZINC000120986359 392404676 /nfs/dbraw/zinc/40/46/76/392404676.db2.gz LXOWZDZCZJDUSW-OAHLLOKOSA-N 0 0 282.343 3.497 10 30 CGEERN CCc1cnc([C@@H](C)Nc2ncccc2C#N)s1 ZINC000136407741 392477498 /nfs/dbraw/zinc/47/74/98/392477498.db2.gz KNBGGRKWKLMHNX-SECBINFHSA-N 0 0 258.350 3.145 10 30 CGEERN Cc1cc(C#N)cc(N[C@@H]2CCOc3ccccc32)n1 ZINC000161040203 392583354 /nfs/dbraw/zinc/58/33/54/392583354.db2.gz QTXQDZMRKDRUNS-CQSZACIVSA-N 0 0 265.316 3.197 10 30 CGEERN CC(C)(C)c1ccc(C(=O)N[C@@H]2CCC[C@H]2C#N)s1 ZINC000408322003 392972277 /nfs/dbraw/zinc/97/22/77/392972277.db2.gz WJAKTPQZWPFPJZ-WDEREUQCSA-N 0 0 276.405 3.468 10 30 CGEERN CCO[C@@H]1C[C@@H](N(C)c2ncccc2C#N)C12CCCC2 ZINC000156888948 286248717 /nfs/dbraw/zinc/24/87/17/286248717.db2.gz MEKWSUTYRYMKMY-HUUCEWRRSA-N 0 0 285.391 3.127 10 30 CGEERN Brc1ccc(NN=Cc2cccnc2)cc1 ZINC000004738000 170008445 /nfs/dbraw/zinc/00/84/45/170008445.db2.gz RTWHBIHGOHDHNF-OQLLNIDSSA-N 0 0 276.137 3.290 10 30 CGEERN CCOc1ccc(-c2ccc(SCC#N)nn2)cc1 ZINC000005410580 170095308 /nfs/dbraw/zinc/09/53/08/170095308.db2.gz FLTUNKGPQWHEAQ-UHFFFAOYSA-N 0 0 271.345 3.158 10 30 CGEERN O=C1C=C(Cl)C(=Nc2ccc(O)cc2)C(Cl)=C1 ZINC000005769705 170138746 /nfs/dbraw/zinc/13/87/46/170138746.db2.gz JSPYBAXQKZYERT-UHFFFAOYSA-N 0 0 268.099 3.293 10 30 CGEERN S=c1[nH]nc(NN=Cc2ccc(Cl)cc2Cl)[nH]1 ZINC000006329490 170191822 /nfs/dbraw/zinc/19/18/22/170191822.db2.gz YBJKNOKUSDAVJZ-UUILKARUSA-N 0 0 288.163 3.220 10 30 CGEERN COc1cccc(COCc2ccccc2C#N)c1 ZINC000019426316 170795218 /nfs/dbraw/zinc/79/52/18/170795218.db2.gz DKGSIYCXNQLQRC-UHFFFAOYSA-N 0 0 253.301 3.284 10 30 CGEERN Cc1ccc(C(=O)N(CCC#N)c2ccccc2)cc1O ZINC000019486145 170812459 /nfs/dbraw/zinc/81/24/59/170812459.db2.gz XVCBZXSBMGCXSN-UHFFFAOYSA-N 0 0 280.327 3.261 10 30 CGEERN N#Cc1ccccc1N[C@H]1CCOc2ccccc21 ZINC000019921854 170929213 /nfs/dbraw/zinc/92/92/13/170929213.db2.gz PQPCJQQEEZORHC-HNNXBMFYSA-N 0 0 250.301 3.494 10 30 CGEERN C=CCNC(=O)[C@@H](C)Nc1ccc(Cl)cc1Cl ZINC000020313771 171145684 /nfs/dbraw/zinc/14/56/84/171145684.db2.gz YGDTYLFXSYPZSE-MRVPVSSYSA-N 0 0 273.163 3.096 10 30 CGEERN CCC(C)(C)OCCC(=O)Nc1cccc(C#N)c1 ZINC000020514749 171231972 /nfs/dbraw/zinc/23/19/72/171231972.db2.gz NSZUVONTQAQGPW-UHFFFAOYSA-N 0 0 260.337 3.092 10 30 CGEERN CC(N=Nc1c(F)c(F)nc(F)c1F)c1ccccc1O ZINC000020934401 171281071 /nfs/dbraw/zinc/28/10/71/171281071.db2.gz BTPSZHXWTHCSAU-SWNXQHNESA-N 0 0 299.227 3.180 10 30 CGEERN N#Cc1cccc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000027839806 171533495 /nfs/dbraw/zinc/53/34/95/171533495.db2.gz ZAJWSJXNPIPCTR-STQMWFEESA-N 0 0 296.292 3.409 10 30 CGEERN FC(F)(F)Oc1ccccc1NC1=NCCCS1 ZINC000034971975 171908264 /nfs/dbraw/zinc/90/82/64/171908264.db2.gz FBXKQDVGQNZGNH-UHFFFAOYSA-N 0 0 276.283 3.299 10 30 CGEERN C[C@@H]1CSC(Nc2ccccc2OC(F)F)=N1 ZINC000035295258 172107318 /nfs/dbraw/zinc/10/73/18/172107318.db2.gz TUZZLFIOGIJKAX-SSDOTTSWSA-N 0 0 258.293 3.000 10 30 CGEERN Cc1ccc(OCc2ccccc2C#N)c([C@@H](C)O)c1 ZINC000035630384 172311676 /nfs/dbraw/zinc/31/16/76/172311676.db2.gz JGNXXVFYKLRLIZ-CYBMUJFWSA-N 0 0 267.328 3.499 10 30 CGEERN Cc1ccc(CN(C)c2ccc(C#N)cc2N)cc1 ZINC000035674265 172345257 /nfs/dbraw/zinc/34/52/57/172345257.db2.gz XSEWZRHHHAQZSH-UHFFFAOYSA-N 0 0 251.333 3.085 10 30 CGEERN Cc1nc2sccn2c1CNc1ccccc1C#N ZINC000037202976 173026015 /nfs/dbraw/zinc/02/60/15/173026015.db2.gz BNORUOAYRILTIF-UHFFFAOYSA-N 0 0 268.345 3.188 10 30 CGEERN COc1ccc([C@H](C#N)C(=O)C2CCCCC2)cc1 ZINC000037346013 173143464 /nfs/dbraw/zinc/14/34/64/173143464.db2.gz MTGNAUQUAPAQEW-HNNXBMFYSA-N 0 0 257.333 3.452 10 30 CGEERN CC(C)c1ccc([C@H](C#N)C(=O)[C@@H]2CCCO2)cc1 ZINC000037347949 173144264 /nfs/dbraw/zinc/14/42/64/173144264.db2.gz XDYRQZAQSKNUAU-GJZGRUSLSA-N 0 0 257.333 3.165 10 30 CGEERN COc1cc(N[C@H](C)CC#N)c(OC)cc1Cl ZINC000037871146 173816843 /nfs/dbraw/zinc/81/68/43/173816843.db2.gz AGLRYQFENYJFHF-MRVPVSSYSA-N 0 0 254.717 3.071 10 30 CGEERN N#C[C@H](NCc1cccs1)c1cc(F)ccc1F ZINC000037939761 173879885 /nfs/dbraw/zinc/87/98/85/173879885.db2.gz MXQUJHFUCUSFPX-ZDUSSCGKSA-N 0 0 264.300 3.381 10 30 CGEERN C=C(Br)Cn1c(COC)nc2ccccc21 ZINC000040231975 174210722 /nfs/dbraw/zinc/21/07/22/174210722.db2.gz ANMVAJOMHSIPSA-UHFFFAOYSA-N 0 0 281.153 3.091 10 30 CGEERN C=CCNc1ncnc(Nc2ccc(CC)cc2)c1[N+](=O)[O-] ZINC000040587221 174345601 /nfs/dbraw/zinc/34/56/01/174345601.db2.gz WROMEFZUNKICHY-UHFFFAOYSA-N 0 0 299.334 3.289 10 30 CGEERN Cn1c2ccccc2c2cc(OC[C@@H]3CO3)ccc21 ZINC000077303147 177250795 /nfs/dbraw/zinc/25/07/95/177250795.db2.gz STQGTYIIPSLMQX-GFCCVEGCSA-N 0 0 253.301 3.109 10 30 in-vitro CGEERN N#C[C@H](CCCO[C@@H]1CCCCO1)c1cccnc1 ZINC000015042673 260085436 /nfs/dbraw/zinc/08/54/36/260085436.db2.gz WYDBLSJVHSWUNU-DZGCQCFKSA-N 0 0 260.337 3.012 10 30 CGEERN CC1(C)Cc2cccc(CN[C@H]3CCC[C@@H]3C#N)c2O1 ZINC000080509213 260181086 /nfs/dbraw/zinc/18/10/86/260181086.db2.gz ZEXRQOVHWOKURC-HIFRSBDPSA-N 0 0 270.376 3.182 10 30 CGEERN Cc1ccc2ncnc(N[C@H]3CCC[C@H]3C#N)c2c1 ZINC000408086199 260222453 /nfs/dbraw/zinc/22/24/53/260222453.db2.gz HDFWFLHCVFGXGD-AAEUAGOBSA-N 0 0 252.321 3.042 10 30 CGEERN C=C(C)CS(=O)(=O)N[C@@H]1c2ccccc2CCC1(C)C ZINC000189761811 260230738 /nfs/dbraw/zinc/23/07/38/260230738.db2.gz QJZBHCMQUDEPMW-OAHLLOKOSA-N 0 0 293.432 3.196 10 30 CGEERN CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N1CCC(C#N)CC1 ZINC000105244619 261308378 /nfs/dbraw/zinc/30/83/78/261308378.db2.gz IMEQNUMCQQMPOF-GJZGRUSLSA-N 0 0 277.412 3.146 10 30 CGEERN C=CCCC[C@@H](C)Nc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000302738938 261354326 /nfs/dbraw/zinc/35/43/26/261354326.db2.gz QHEHYLZFLVZJQN-SNVBAGLBSA-N 0 0 260.297 3.018 10 30 CGEERN COc1ccc(O)c(/C=N/[C@H](C)COCc2ccccc2)c1 ZINC000173989002 261552437 /nfs/dbraw/zinc/55/24/37/261552437.db2.gz CRAIVYICBGSWNE-HIPSJFSSSA-N 0 0 299.370 3.425 10 30 CGEERN CC(C)[C@@H]1C[C@H](NC(=O)C[C@H]2CCCCC(=O)N2)CCO1 ZINC000328670232 263836685 /nfs/dbraw/zinc/83/66/85/263836685.db2.gz MNSCUSAFUWQARH-MCIONIFRSA-N 0 0 296.411 3.436 10 30 CGEERN N#CC1(NC(=O)[C@@H]2C[C@@]23CCOc2ccccc23)CCC1 ZINC000328838697 263877346 /nfs/dbraw/zinc/87/73/46/263877346.db2.gz NXEWGHGISORIBA-SUMWQHHRSA-N 0 0 282.343 3.130 10 30 CGEERN Cc1ccccc1[C@H](C)NC(=O)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000328849938 263879692 /nfs/dbraw/zinc/87/96/92/263879692.db2.gz UKQIZNBCDUXXOY-APHBMKBZSA-N 0 0 288.391 3.127 10 30 CGEERN CCC[C@@H]1C[C@H]1Nc1c(C#N)nnc2ccccc21 ZINC000231661918 266072560 /nfs/dbraw/zinc/07/25/60/266072560.db2.gz WAVCMIIDNFUALA-ZWNOBZJWSA-N 0 0 252.321 3.102 10 30 CGEERN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)NCc1ccc(C#N)cc1 ZINC000246469649 287707577 /nfs/dbraw/zinc/70/75/77/287707577.db2.gz PZIDMHPQEAXGIN-XOKHGSTOSA-N 0 0 297.402 3.421 10 30 CGEERN C=C(C)CNC(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000156876088 276863794 /nfs/dbraw/zinc/86/37/94/276863794.db2.gz PCBBCDWFQYHRIC-ZDUSSCGKSA-N 0 0 274.364 3.164 10 30 CGEERN Cc1c(C#N)cccc1NC(=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000178383326 278584244 /nfs/dbraw/zinc/58/42/44/278584244.db2.gz CABPGVMENAVDFP-SJCJKPOMSA-N 0 0 292.338 3.370 10 30 CGEERN C[C@H]1c2ccsc2CCN1c1cccc(C#N)n1 ZINC000081618679 280136937 /nfs/dbraw/zinc/13/69/37/280136937.db2.gz NGOIWBLKCSYOJS-JTQLQIEISA-N 0 0 255.346 3.138 10 30 CGEERN C[C@@H]1c2ccsc2CCN1c1cc(C#N)ccn1 ZINC000050683293 289099219 /nfs/dbraw/zinc/09/92/19/289099219.db2.gz WZFHJQGOUZCSEU-SNVBAGLBSA-N 0 0 255.346 3.138 10 30 CGEERN Cc1nc(C#N)c(N=NC=C2Cc3ccccc3O[C@H]2C)o1 ZINC000006861387 293155957 /nfs/dbraw/zinc/15/59/57/293155957.db2.gz UZRDFMRSRGUSQW-NTOSSWPYSA-N 0 0 294.314 3.117 10 30 CGEERN Cc1cc(N2CC[C@H](C)C[C@H](C)C2)c(C#N)c(C)n1 ZINC000301773011 301341627 /nfs/dbraw/zinc/34/16/27/301341627.db2.gz MDCASZKWACGPJY-RYUDHWBXSA-N 0 0 257.381 3.443 10 30 CGEERN Cc1ncc(NC(=O)[C@@H]2OCC[C@@H]2C(C)C)s1 ZINC000329366616 302698230 /nfs/dbraw/zinc/69/82/30/302698230.db2.gz GYQSRZZQTAEVGU-MWLCHTKSSA-N 0 0 254.355 3.101 10 30 CGEERN N#C[C@H]1CCO[C@H]1c1cc(Br)cs1 ZINC000070672438 303167656 /nfs/dbraw/zinc/16/76/56/303167656.db2.gz RQOKCCIIZAFMPK-HZGVNTEJSA-N 0 0 258.140 3.112 10 30 CGEERN Cc1csc([C@@H]2CN(CC(C)(C)CCC#N)CCO2)n1 ZINC000092790420 327195337 /nfs/dbraw/zinc/19/53/37/327195337.db2.gz RUQFTJMARPVFKT-ZDUSSCGKSA-N 0 0 293.436 3.155 10 30 CGEERN C=CCCO[C@@H](C)C(=O)N1CC=C(c2cccs2)CC1 ZINC000117723407 328942790 /nfs/dbraw/zinc/94/27/90/328942790.db2.gz MFOMOXZMNOHCQD-ZDUSSCGKSA-N 0 0 291.416 3.345 10 30 CGEERN C=C(C)CN(C)C(=O)N[C@H]1CCCc2ccccc21 ZINC000182181517 329240639 /nfs/dbraw/zinc/24/06/39/329240639.db2.gz ZTMJCDSEPGTWDG-HNNXBMFYSA-N 0 0 258.365 3.282 10 30 CGEERN C=C(C)C[C@H](C)C(=O)N1CCO[C@@H](c2ccc(C)o2)C1 ZINC000185943682 329333105 /nfs/dbraw/zinc/33/31/05/329333105.db2.gz FDESXPWNZAMRFI-SWLSCSKDSA-N 0 0 277.364 3.090 10 30 CGEERN N#CCc1cccc(C(=O)N[C@@H]2CCOc3ccccc32)c1 ZINC000042397963 329573081 /nfs/dbraw/zinc/57/30/81/329573081.db2.gz AYPADTYHMFMSKD-MRXNPFEDSA-N 0 0 292.338 3.006 10 30 CGEERN CCCCCCCCOCC(=O)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000251998045 329937314 /nfs/dbraw/zinc/93/73/14/329937314.db2.gz WJWGXYZEHIRXIU-XHSDSOJGSA-N 0 0 297.439 3.047 10 30 CGEERN C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000135025272 334112524 /nfs/dbraw/zinc/11/25/24/334112524.db2.gz GZRSQSCYXIIQRZ-PBHICJAKSA-N 0 0 289.423 3.303 10 30 CGEERN C[C@@H](C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1)c1cccs1 ZINC000247170740 334276889 /nfs/dbraw/zinc/27/68/89/334276889.db2.gz UBLBHSVAUWZPOA-JMSVASOKSA-N 0 0 276.405 3.440 10 30 CGEERN Cc1oc(C#N)cc1C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000355662343 501016069 /nfs/dbraw/zinc/01/60/69/501016069.db2.gz BPEUXOYFZHQWQM-UHFFFAOYSA-N 0 0 284.359 3.014 10 30 CGEERN C[C@@H]1Cc2cc(C(=O)/C=C/c3ccco3)ccc2O1 ZINC000005356038 534058600 /nfs/dbraw/zinc/05/86/00/534058600.db2.gz XFVDROJOTUDXNC-MVIFTORASA-N 0 0 254.285 3.499 10 30 CGEERN C[C@@H]1OCCC[C@@H]1C(=O)NCCNC(=O)CC1CCCC1 ZINC000330059001 534149663 /nfs/dbraw/zinc/14/96/63/534149663.db2.gz ZZEIKRYNIRKXEH-JSGCOSHPSA-N 0 0 296.411 3.295 10 30 CGEERN Cc1ccc(-n2cccn2)cc1NC(=O)N1C[C@H]2CCC[C@@H]21 ZINC000330031159 534239631 /nfs/dbraw/zinc/23/96/31/534239631.db2.gz STVNBLVUFMKGDM-CJNGLKHVSA-N 0 0 296.374 3.211 10 30 CGEERN CCN[C@@](C)(C#N)CCCOc1cc(F)cc(F)c1 ZINC000054933810 520128956 /nfs/dbraw/zinc/12/89/56/520128956.db2.gz YAVRJXPHRIPHBG-CQSZACIVSA-N 0 0 268.307 3.016 10 30 CGEERN Cc1cnc([C@H](C)NC(=O)C[C@@H]2CCCCNC2=O)o1 ZINC000329522680 534628893 /nfs/dbraw/zinc/62/88/93/534628893.db2.gz RGVBRUJNUNQFQT-QWRGUYRKSA-N 0 0 279.340 3.147 10 30 CGEERN COc1ccc(C(=O)[C@@H](C)CC#N)cc1OC(F)F ZINC000048259040 523776309 /nfs/dbraw/zinc/77/63/09/523776309.db2.gz MISLLGSHLAXBDU-QMMMGPOBSA-N 0 0 269.247 3.029 10 30 CGEERN COc1ccc(Cl)cc1N[C@H]1CCC[C@H]1C#N ZINC000054823734 524246307 /nfs/dbraw/zinc/24/63/07/524246307.db2.gz NOHGGWMFDDZBHI-ONGXEEELSA-N 0 0 250.729 3.453 10 30 CGEERN Cc1nc(C(=O)NC2C3CC4CC(C3)CC2C4)c(C)o1 ZINC000329481441 534868015 /nfs/dbraw/zinc/86/80/15/534868015.db2.gz DKUBEHJZPYRHLR-UHFFFAOYSA-N 0 0 274.364 3.421 10 30 CGEERN Cc1c(C)n([C@@H](C)Cc2ccsc2)c(N)c1C#N ZINC000049185775 525688125 /nfs/dbraw/zinc/68/81/25/525688125.db2.gz XMFARNMTMHDLBV-VIFPVBQESA-N 0 0 259.378 3.424 10 30 CGEERN C[C@@H](O)c1ccc(N(C)C[C@@H](C)C#N)c(Br)c1 ZINC000061696492 525867887 /nfs/dbraw/zinc/86/78/87/525867887.db2.gz LFJIIIYFUFHXCD-VHSXEESVSA-N 0 0 297.196 3.098 10 30 CGEERN CC1(C)C[C@@H]1c1noc([C@]2(C#N)CC23CCCC3)n1 ZINC000333853237 527722425 /nfs/dbraw/zinc/72/24/25/527722425.db2.gz PXUZLFHQBPXLAW-MEBBXXQBSA-N 0 0 257.337 3.309 10 30 CGEERN CC1(C)CN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)[C@H]2CCC[C@@H]21 ZINC000333186949 529092296 /nfs/dbraw/zinc/09/22/96/529092296.db2.gz NBTBIYKEHJVVMY-AJNGGQMLSA-N 0 0 289.423 3.289 10 30 CGEERN C=C[C@@H](O)C#CC#CC[C@H]1O[C@H]1CCCCCCC ZINC000072320243 560078073 /nfs/dbraw/zinc/07/80/73/560078073.db2.gz GVLDSGIQZAFIAN-IXDOHACOSA-N 0 0 260.377 3.058 10 30 biogenic,in-man CGEERN CCOc1ccc(O)c(/C=N\C[C@@H](O)c2ccc(C)cc2)c1 ZINC000255445663 618500416 /nfs/dbraw/zinc/50/04/16/618500416.db2.gz GLMUAJUCBOXUGT-NPBUNYCVSA-N 0 0 299.370 3.252 10 30 CGEERN C#C[C@@H](C)NC(=O)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000186025578 625504847 /nfs/dbraw/zinc/50/48/47/625504847.db2.gz ZXBQILZBLQXVSJ-CHWSQXEVSA-N 0 0 258.365 3.192 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1cc(Cl)nc2ccccc21 ZINC000061890280 623185946 /nfs/dbraw/zinc/18/59/46/623185946.db2.gz YXAMJXZJJXHVGB-GXFFZTMASA-N 0 0 299.761 3.310 10 30 CGEERN N#Cc1cc2ccccc2nc1NCC[C@@H]1CCCO1 ZINC000071385820 625084424 /nfs/dbraw/zinc/08/44/24/625084424.db2.gz NKZXJAXCYYTMKK-AWEZNQCLSA-N 0 0 267.332 3.087 10 30 CGEERN C#CCCCC(=O)O[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000191249582 640298710 /nfs/dbraw/zinc/29/87/10/640298710.db2.gz APTCZJDNRFTDPS-KGLIPLIRSA-N 0 0 264.365 3.071 10 30 CGEERN C[C@H](C#N)NC(=O)c1c(Cl)ccc(Cl)c1Cl ZINC000090444233 640680286 /nfs/dbraw/zinc/68/02/86/640680286.db2.gz LXFFVEAIGNIFOU-RXMQYKEDSA-N 0 0 277.538 3.289 10 30 CGEERN C=C[C@H](CC)OC(=O)/C=C\c1ccnc(Cl)c1 ZINC000588386003 799685943 /nfs/dbraw/zinc/68/59/43/799685943.db2.gz TXIKKXNJRXZCNM-ISALQUGTSA-N 0 0 251.713 3.256 10 30 CGEERN CC[C@@H](CC#N)OC(=O)/C(C)=C\c1ccc(F)cc1 ZINC000588558079 799711642 /nfs/dbraw/zinc/71/16/42/799711642.db2.gz PWYXSLNAADPGQO-BMSUMIBZSA-N 0 0 261.296 3.464 10 30 CGEERN N#Cc1ccc(CON=C2CCOc3ccccc32)cc1F ZINC000588581504 799716711 /nfs/dbraw/zinc/71/67/11/799716711.db2.gz CXOKWXGXNWWMEO-UHFFFAOYSA-N 0 0 296.301 3.401 10 30 CGEERN CN(CC#N)CCCOc1ccc(Cl)cc1Cl ZINC000095921481 185031486 /nfs/dbraw/zinc/03/14/86/185031486.db2.gz JOLLTTDMNJSZNT-UHFFFAOYSA-N 0 0 273.163 3.218 10 30 CGEERN C=CCN1c2ccccc2S(=O)c2ccccc21 ZINC000005283074 136376899 /nfs/dbraw/zinc/37/68/99/136376899.db2.gz PZORVBKCWSFMBC-UHFFFAOYSA-N 0 0 255.342 3.491 10 30 CGEERN C#CCC[C@@](O)(c1ccccc1)C1SCCCS1 ZINC000034336260 344938334 /nfs/dbraw/zinc/93/83/34/344938334.db2.gz BMHUGLLSOWWOIY-OAHLLOKOSA-N 0 0 278.442 3.484 10 30 CGEERN N#CC1(N2C(=O)c3ccccc3C2=O)CCCCCCC1 ZINC000040367243 344962313 /nfs/dbraw/zinc/96/23/13/344962313.db2.gz MYLBNBRDEPEMSA-UHFFFAOYSA-N 0 0 282.343 3.289 10 30 CGEERN C[C@@H]1CN=C(Nc2ccccc2Br)S1 ZINC000035294924 344941897 /nfs/dbraw/zinc/94/18/97/344941897.db2.gz NNMYMHTYRFMEAR-SSDOTTSWSA-N 0 0 271.183 3.162 10 30 CGEERN COc1ccc(/N=C/c2cc(OC)cc(OC)c2)cc1 ZINC000035804167 344942855 /nfs/dbraw/zinc/94/28/55/344942855.db2.gz NGHSEGQMYZPSCK-GZTJUZNOSA-N 0 0 271.316 3.463 10 30 CGEERN CS(=O)(=O)OCc1cccc(Sc2ccccc2)c1 ZINC000036476251 344943774 /nfs/dbraw/zinc/94/37/74/344943774.db2.gz AEPLCOXGZVQZPZ-UHFFFAOYSA-N 0 0 294.397 3.314 10 30 CGEERN C[C@H](C#N)C(=O)c1cc(Br)ccc1Cl ZINC000037288051 344948971 /nfs/dbraw/zinc/94/89/71/344948971.db2.gz NTSYPXVBMDKHCH-ZCFIWIBFSA-N 0 0 272.529 3.445 10 30 CGEERN C[C@@H](C#N)N[C@@H](C)c1ccc(Br)cc1 ZINC000043515501 345000212 /nfs/dbraw/zinc/00/02/12/345000212.db2.gz DPEMYTMRPVOSMI-IUCAKERBSA-N 0 0 253.143 3.012 10 30 CGEERN N#Cc1ccc(Cl)cc1-n1cc(Br)cn1 ZINC000062786174 345240114 /nfs/dbraw/zinc/24/01/14/345240114.db2.gz BJEMDZUQWOJVHL-UHFFFAOYSA-N 0 0 282.528 3.160 10 30 CGEERN C[C@@H](CC#N)Sc1ccc(Br)cn1 ZINC000070614897 345392706 /nfs/dbraw/zinc/39/27/06/345392706.db2.gz YAAHVOSXSDRWMC-ZETCQYMHSA-N 0 0 257.156 3.238 10 30 CGEERN N#Cc1ccc(N[C@H](CO)c2ccc(Cl)cc2)c(F)c1 ZINC000092961258 345864748 /nfs/dbraw/zinc/86/47/48/345864748.db2.gz PRKPZMAMUXRGIT-OAHLLOKOSA-N 0 0 290.725 3.496 10 30 CGEERN COc1cccc(Sc2ccc(N)c(C#N)c2)c1 ZINC000131726887 346067727 /nfs/dbraw/zinc/06/77/27/346067727.db2.gz UQKOFUDAOGNLQX-UHFFFAOYSA-N 0 0 256.330 3.300 10 30 CGEERN C#CCOCCOCCOCC#CCCCCCCCC ZINC000137693899 346094638 /nfs/dbraw/zinc/09/46/38/346094638.db2.gz GMISSDWYKXJHQG-UHFFFAOYSA-N 0 0 294.435 3.423 10 30 CGEERN C[C@H](OS(C)(=O)=O)c1cc(Cl)ccc1Cl ZINC000143599510 346114842 /nfs/dbraw/zinc/11/48/42/346114842.db2.gz KUTGXZQRZHORQF-LURJTMIESA-N 0 0 269.149 3.031 10 30 CGEERN CCOC(=O)[C@H](C#N)c1ccc(C(F)(F)F)cc1F ZINC000143763617 346115447 /nfs/dbraw/zinc/11/54/47/346115447.db2.gz BIOXSNLXVJOPJX-SECBINFHSA-N 0 0 275.201 3.015 10 30 CGEERN COc1ccc(-c2ccc(C#N)c(F)c2)cc1C=O ZINC000147021723 346124894 /nfs/dbraw/zinc/12/48/94/346124894.db2.gz OSCIFJFCQZZEET-UHFFFAOYSA-N 0 0 255.248 3.185 10 30 CGEERN C#CC[C@H](CC)Nc1cc(C)c(Br)cn1 ZINC000162936827 346180057 /nfs/dbraw/zinc/18/00/57/346180057.db2.gz OFXLROBIGMYXCE-JTQLQIEISA-N 0 0 267.170 3.366 10 30 CGEERN N#CCCc1ccc(CCOCc2ccccc2)o1 ZINC000164910598 346182890 /nfs/dbraw/zinc/18/28/90/346182890.db2.gz OWPPSHCHSNQDBR-UHFFFAOYSA-N 0 0 255.317 3.495 10 30 CGEERN C[C@H](CO)c1cccc(OCc2ccccc2C#N)c1 ZINC000196396858 346275605 /nfs/dbraw/zinc/27/56/05/346275605.db2.gz MHWRHFSYXPSPLF-CYBMUJFWSA-N 0 0 267.328 3.233 10 30 CGEERN C[C@@]1(C(=O)C=C(Nc2ccccc2)c2ccccc2)CO1 ZINC000216375297 346289808 /nfs/dbraw/zinc/28/98/08/346289808.db2.gz NNULQOURTPSFCP-XOQYZJNISA-N 0 0 279.339 3.498 10 30 CGEERN C[C@]1(c2ccc(-c3ccccc3)cc2)O[C@@H](O)C=CC1=O ZINC000216233376 346290098 /nfs/dbraw/zinc/29/00/98/346290098.db2.gz LBGYECMFKCUJMY-QZTJIDSGSA-N 0 0 280.323 3.043 10 30 CGEERN Cc1cccc(C#Cc2ccc(-c3ccnn3C)cc2)n1 ZINC000217741693 346291959 /nfs/dbraw/zinc/29/19/59/346291959.db2.gz VSENFCCDJDPAJO-UHFFFAOYSA-N 0 0 273.339 3.190 10 30 CGEERN C=C(C)[C@@H](O)c1cccc(C)c1I ZINC000232561952 346327316 /nfs/dbraw/zinc/32/73/16/346327316.db2.gz HBAPFSBWGWNFLU-LLVKDONJSA-N 0 0 288.128 3.209 10 30 CGEERN C=C[C@@H](C)Nc1cc(C)c(N)cc1Br ZINC000235263121 346333962 /nfs/dbraw/zinc/33/39/62/346333962.db2.gz CTIXATFZNNWSRJ-MRVPVSSYSA-N 0 0 255.159 3.326 10 30 CGEERN C[C@@H]1C[C@H]1Nc1cc(Br)cc(C#N)c1 ZINC000227616052 346310302 /nfs/dbraw/zinc/31/03/02/346310302.db2.gz DOPMRJBBVIYQEM-RDDDGLTNSA-N 0 0 251.127 3.141 10 30 CGEERN O=C(CCCCCc1ccc2ccccc2c1)C(=O)NO ZINC000230850443 346322142 /nfs/dbraw/zinc/32/21/42/346322142.db2.gz DHMHAGRFQYKFNG-UHFFFAOYSA-N 0 0 285.343 3.017 10 30 CGEERN CC[C@@H](S)C(=O)Nc1ccccc1Br ZINC000307606153 346464322 /nfs/dbraw/zinc/46/43/22/346464322.db2.gz CQPYLDVSMJLKJK-SECBINFHSA-N 0 0 274.183 3.096 10 30 CGEERN N#Cc1ccc(C(F)(F)F)c(C=O)c1C(F)(F)F ZINC000514278703 346638087 /nfs/dbraw/zinc/63/80/87/346638087.db2.gz IOYYPZVNKXFQBS-UHFFFAOYSA-N 0 0 267.128 3.408 10 30 CGEERN CN(C)/C=C1\C(=O)C(C)(C)C[C@H]1c1ccc(C#N)c(F)c1 ZINC000584644681 346703339 /nfs/dbraw/zinc/70/33/39/346703339.db2.gz SDTYEUGLIVSZQH-ODUNQGDFSA-N 0 0 286.350 3.225 10 30 CGEERN C=CC[C@H](CNC(=O)OCC)Cc1ccccc1OC ZINC000584600907 346689244 /nfs/dbraw/zinc/68/92/44/346689244.db2.gz PMBMFDUTJOHVIQ-ZDUSSCGKSA-N 0 0 277.364 3.176 10 30 CGEERN C=CCCCCOS(=O)(=O)c1ccc(Cl)cc1 ZINC000584604997 346690238 /nfs/dbraw/zinc/69/02/38/346690238.db2.gz WHLYSQCRKFXFRE-UHFFFAOYSA-N 0 0 274.769 3.402 10 30 CGEERN C#C[C@@]1(O)C=C[C@H]2[C@@H]3CCC4=C(CCC(=O)C4)[C@H]3CC[C@@]21C ZINC000584617890 346694420 /nfs/dbraw/zinc/69/44/20/346694420.db2.gz YCVQZJLBJZWDDW-SWBPCFCJSA-N 0 0 296.410 3.413 10 30 CGEERN C=CCN(CC=C)C(C)(C)c1ncc(Br)cn1 ZINC000584629121 346698488 /nfs/dbraw/zinc/69/84/88/346698488.db2.gz CYMLMMNENPTXDT-UHFFFAOYSA-N 0 0 296.212 3.148 10 30 CGEERN Cc1ccc(N)cc1-c1cnc(C2CCOCC2)c(C#N)c1 ZINC000584633531 346699843 /nfs/dbraw/zinc/69/98/43/346699843.db2.gz PKPDFYSYSNFMMM-UHFFFAOYSA-N 0 0 293.370 3.405 10 30 CGEERN Cc1ccc(CN2CCO[C@@H]3CCCC[C@@H]32)cc1C#N ZINC000599264684 347730505 /nfs/dbraw/zinc/73/05/05/347730505.db2.gz PIYIHBVSHFSLRA-DLBZAZTESA-N 0 0 270.376 3.010 10 30 CGEERN CC(=O)N1c2ccccc2C(=O)C1=CNc1ccccc1 ZINC000103568358 185849901 /nfs/dbraw/zinc/84/99/01/185849901.db2.gz PTWZHGXHESUHBG-LFIBNONCSA-N 0 0 278.311 3.189 10 30 CGEERN C[C@H](CC#N)N(C)c1ccc([C@H](C)O)cc1Cl ZINC000103922374 185861016 /nfs/dbraw/zinc/86/10/16/185861016.db2.gz PHMXDXQKYWHCFD-ZJUUUORDSA-N 0 0 252.745 3.132 10 30 CGEERN N#CCc1cc(OC(F)F)cc(OC(F)(F)F)c1 ZINC000616576382 348834131 /nfs/dbraw/zinc/83/41/31/348834131.db2.gz RFCMZVLEFNSQKQ-UHFFFAOYSA-N 0 0 267.153 3.253 10 30 CGEERN N#Cc1ccccc1[C@H]1CCc2ccccc2N1C(N)=O ZINC000616667640 348860577 /nfs/dbraw/zinc/86/05/77/348860577.db2.gz FEJKGTODPHLBCC-MRXNPFEDSA-N 0 0 277.327 3.131 10 30 CGEERN COC(=O)N1C[C@H](c2ccc(C#N)cc2)Cc2ccccc21 ZINC000616669942 348861115 /nfs/dbraw/zinc/86/11/15/348861115.db2.gz KWZVAFLFMRBXDW-MRXNPFEDSA-N 0 0 292.338 3.471 10 30 CGEERN COC(=O)N1C[C@H](c2ccc(C#N)cc2)Nc2ccccc21 ZINC000616682930 348866515 /nfs/dbraw/zinc/86/65/15/348866515.db2.gz CSJUJZBGVLWHLF-OAHLLOKOSA-N 0 0 293.326 3.298 10 30 CGEERN C=CC[C@@H](NC(=O)c1ccccc1)c1cccnc1 ZINC000090735329 180033449 /nfs/dbraw/zinc/03/34/49/180033449.db2.gz WVCUHMHAOGKHQK-OAHLLOKOSA-N 0 0 252.317 3.129 10 30 CGEERN N#Cc1cc(O)cc(-c2ccc(Cl)c(C#N)c2)c1 ZINC000065341537 283111137 /nfs/dbraw/zinc/11/11/37/283111137.db2.gz WJWPHCBVPNEIDI-UHFFFAOYSA-N 0 0 254.676 3.456 10 30 CGEERN N#Cc1ccc2nc(-c3ccc(Cl)cc3)n(O)c2c1 ZINC000253566631 283199299 /nfs/dbraw/zinc/19/92/99/283199299.db2.gz JEFJPDQTLHLUNC-UHFFFAOYSA-N 0 0 269.691 3.466 10 30 CGEERN CCS[C@@H]1CC[C@@]1(O)CNc1c(Cl)cccc1C#N ZINC000301503744 201035490 /nfs/dbraw/zinc/03/54/90/201035490.db2.gz YNDVPURJMIUDQA-TZMCWYRMSA-N 0 0 296.823 3.270 10 30 CGEERN Cc1cc(Oc2cccc(C=O)c2)c(C#N)c(C)n1 ZINC000301769913 201185506 /nfs/dbraw/zinc/18/55/06/201185506.db2.gz IRKLOUBTTFTPJB-UHFFFAOYSA-N 0 0 252.273 3.175 10 30 CGEERN Cc1c(C)n(Cc2cccc(Cl)c2)c(N)c1C#N ZINC000001047512 368400272 /nfs/dbraw/zinc/40/02/72/368400272.db2.gz HIDSUKVPBRMFQQ-UHFFFAOYSA-N 0 0 259.740 3.261 10 30 CGEERN CC(C)CCCC1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000013335177 368651867 /nfs/dbraw/zinc/65/18/67/368651867.db2.gz CZCUIGLMMGPMLC-UHFFFAOYSA-N 0 0 274.316 3.230 10 30 biogenic,in-vitro CGEERN CCCCOc1ccc(CC[C@@H](C)N(O)C(C)=O)cc1 ZINC000026149258 368856245 /nfs/dbraw/zinc/85/62/45/368856245.db2.gz HVBZUKBIXCRUAU-CYBMUJFWSA-N 0 0 279.380 3.424 10 30 CGEERN C=CCn1c(COc2ccccc2OCC)n[nH]c1=S ZINC000026469717 368859860 /nfs/dbraw/zinc/85/98/60/368859860.db2.gz KLPDFAUXMSXGFC-UHFFFAOYSA-N 0 0 291.376 3.104 10 30 CGEERN CCCCOc1ccc([C@H](C)N(O)C(C)=O)cc1 ZINC000029570028 368896594 /nfs/dbraw/zinc/89/65/94/368896594.db2.gz BQOAJAIUXPRROV-NSHDSACASA-N 0 0 251.326 3.164 10 30 CGEERN Cc1ccc(/C=N\NC(=S)Nc2ccc(C)cc2)o1 ZINC000033319229 368962286 /nfs/dbraw/zinc/96/22/86/368962286.db2.gz QXSRWHZZGSJBNB-DHDCSXOGSA-N 0 0 273.361 3.217 10 30 CGEERN COc1cc(C)c([C@@H](O)C#CC(F)(F)F)c(C)c1C ZINC000039372791 369150715 /nfs/dbraw/zinc/15/07/15/369150715.db2.gz GKJGYOPEQPKENK-NSHDSACASA-N 0 0 272.266 3.220 10 30 CGEERN COc1ccc(Cl)cc1CN[C@H]1CCC[C@H]1C#N ZINC000061892713 369612297 /nfs/dbraw/zinc/61/22/97/369612297.db2.gz YWVZUZCMRAPZHO-GWCFXTLKSA-N 0 0 264.756 3.130 10 30 CGEERN Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2C#N)cc1Cl ZINC000063021704 369636990 /nfs/dbraw/zinc/63/69/90/369636990.db2.gz RGNGBVPCMJSLIX-YPMHNXCESA-N 0 0 262.740 3.071 10 30 CGEERN C=CCCO[C@H](C)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000066311566 369692729 /nfs/dbraw/zinc/69/27/29/369692729.db2.gz QUDXEELZMQNBNW-GRYCIOLGSA-N 0 0 293.329 3.205 10 30 CGEERN C=CCCC(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000078188243 369951720 /nfs/dbraw/zinc/95/17/20/369951720.db2.gz WFVNDHRMBNIAIO-ZFWWWQNUSA-N 0 0 273.376 3.366 10 30 CGEERN COc1ccc2c(Cl)c(C#N)cnc2c1Cl ZINC000082313981 370001291 /nfs/dbraw/zinc/00/12/91/370001291.db2.gz SJDBDZVEAUDGBL-UHFFFAOYSA-N 0 0 253.088 3.422 10 30 CGEERN N#CC1(c2cccc(OC(F)(F)F)c2)CCOCC1 ZINC000087493541 370027285 /nfs/dbraw/zinc/02/72/85/370027285.db2.gz MDHFXPITXFMKDH-UHFFFAOYSA-N 0 0 271.238 3.157 10 30 CGEERN O/N=C(\c1ccccc1)c1ccccc1-c1ncc[nH]1 ZINC000089202482 370039035 /nfs/dbraw/zinc/03/90/35/370039035.db2.gz WGKIWFCGZYPLQF-XDJHFCHBSA-N 0 0 263.300 3.303 10 30 CGEERN S[C@H]1CCOC[C@@H]1Cc1ccc(Br)cc1 ZINC000095078953 370171162 /nfs/dbraw/zinc/17/11/62/370171162.db2.gz JDEILJTZNQLHJT-JQWIXIFHSA-N 0 0 287.222 3.327 10 30 CGEERN COc1ccc(/C=N/c2ccc(NC(C)=O)cc2)cc1O ZINC000100033342 370270536 /nfs/dbraw/zinc/27/05/36/370270536.db2.gz MJHLRWJVQVKZMG-LICLKQGHSA-N 0 0 284.315 3.110 10 30 CGEERN O=S(=O)(/N=C(/Cl)c1ccccc1)c1ccccc1 ZINC000100389134 370277939 /nfs/dbraw/zinc/27/79/39/370277939.db2.gz FMGSGATZZHTVKD-FYWRMAATSA-N 0 0 279.748 3.061 10 30 CGEERN O=[N+]([O-])c1ccc(F)c(/N=C\c2ccccc2O)c1 ZINC000100485126 370279623 /nfs/dbraw/zinc/27/96/23/370279623.db2.gz ZDJDFGXUXIRJPJ-NVNXTCNLSA-N 0 0 260.224 3.190 10 30 CGEERN Cc1ccc(S(=O)(=O)OCc2cccc(F)c2)cc1 ZINC000114571300 370506109 /nfs/dbraw/zinc/50/61/09/370506109.db2.gz DTQMIXIPEJOCMM-UHFFFAOYSA-N 0 0 280.320 3.040 10 30 CGEERN C[C@@H](CC1CC1)NC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000171846839 372839478 /nfs/dbraw/zinc/83/94/78/372839478.db2.gz SXBDFHSWKUMUSH-NSHDSACASA-N 0 0 288.395 3.425 10 30 CGEERN CCn1cc(C2CCN(c3ccc(C#N)cc3)CC2)cn1 ZINC000299614327 373582226 /nfs/dbraw/zinc/58/22/26/373582226.db2.gz PCTUXMURNPODNS-UHFFFAOYSA-N 0 0 280.375 3.159 10 30 CGEERN C[C@@H](NCc1ccccc1C#N)c1ccc2c(c1)OCCO2 ZINC000176486854 373602744 /nfs/dbraw/zinc/60/27/44/373602744.db2.gz XCVFYPOZBMDQKU-CYBMUJFWSA-N 0 0 294.354 3.180 10 30 CGEERN N#Cc1cccc(NCCSc2ccccc2F)n1 ZINC000301287828 373730456 /nfs/dbraw/zinc/73/04/56/373730456.db2.gz RMMXWNBXBZPMQC-UHFFFAOYSA-N 0 0 273.336 3.297 10 30 CGEERN N#Cc1cccc(N2CC=C(c3cccs3)CC2)n1 ZINC000301292143 373733192 /nfs/dbraw/zinc/73/31/92/373733192.db2.gz VDQKASZHYKEASN-UHFFFAOYSA-N 0 0 267.357 3.308 10 30 CGEERN Cc1ccc(CN(C)c2cccc(C#N)n2)cc1F ZINC000302742283 373948538 /nfs/dbraw/zinc/94/85/38/373948538.db2.gz ZOHHGTDPCMRQHA-UHFFFAOYSA-N 0 0 255.296 3.037 10 30 CGEERN N#Cc1nc(Nc2ccc3c(c2)CCC3)ccc1[N+](=O)[O-] ZINC000302762392 373954337 /nfs/dbraw/zinc/95/43/37/373954337.db2.gz YNQZOOOVHVBVSL-UHFFFAOYSA-N 0 0 280.287 3.094 10 30 CGEERN N#CCCCCNC(=O)c1cccn1C1CCCC1 ZINC000181547867 374140119 /nfs/dbraw/zinc/14/01/19/374140119.db2.gz LLDKUODHENBLGM-UHFFFAOYSA-N 0 0 259.353 3.027 10 30 CGEERN O=C(C[C@@H]1CCCCC(=O)N1)NC[C@@H](O)C1CCCCC1 ZINC000328684709 374376839 /nfs/dbraw/zinc/37/68/39/374376839.db2.gz WZFVMZWTIYSZQO-UONOGXRCSA-N 0 0 296.411 3.173 10 30 CGEERN CC[C@@H]1[C@H](C)CCN1C(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328762478 374380928 /nfs/dbraw/zinc/38/09/28/374380928.db2.gz ZESYPEHGIDWPQW-JHJVBQTASA-N 0 0 293.411 3.062 10 30 CGEERN CC[C@]1(C)C[C@@H]1C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000328876404 374389610 /nfs/dbraw/zinc/38/96/10/374389610.db2.gz KDXDCASYYADONG-NLRBGTRBSA-N 0 0 264.369 3.277 10 30 CGEERN C[C@@H]1CC(CNC(=O)C[C@@H]2CCCC(=O)N2)C[C@@H](C)O1 ZINC000329609601 374414777 /nfs/dbraw/zinc/41/47/77/374414777.db2.gz BWNKCSWDLLBVCT-WZRBSPASSA-N 0 0 282.384 3.046 10 30 CGEERN C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H](n2ccnc2CC)C1 ZINC000185612920 374699233 /nfs/dbraw/zinc/69/92/33/374699233.db2.gz CTPDIQHRIBTPAS-HUUCEWRRSA-N 0 0 289.423 3.211 10 30 CGEERN C=C(C)C[C@@H](C)C(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000185561096 374687685 /nfs/dbraw/zinc/68/76/85/374687685.db2.gz UDYUMVLRVSGEGL-OCCSQVGLSA-N 0 0 261.369 3.066 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)Cc1ccc(Cl)cc1Cl ZINC000334549142 374847731 /nfs/dbraw/zinc/84/77/31/374847731.db2.gz DGSWVRFNLSNVMX-MFKMUULPSA-N 0 0 297.185 3.344 10 30 CGEERN N#Cc1cccnc1-n1cc(N[C@@H]2CCC23CCCC3)cn1 ZINC000189221164 375343555 /nfs/dbraw/zinc/34/35/55/375343555.db2.gz JOYXBYCXZHMCNB-OAHLLOKOSA-N 0 0 293.374 3.274 10 30 CGEERN C#CCCCC(=O)N1CCCC[C@@H]1c1ccc(C)o1 ZINC000192348104 375735968 /nfs/dbraw/zinc/73/59/68/375735968.db2.gz WJHZNXVRRKXIOT-CQSZACIVSA-N 0 0 259.349 3.445 10 30 CGEERN O=[N+]([O-])c1cccc(C=Nc2ccc3c[nH]nc3c2)c1 ZINC000215899159 376152898 /nfs/dbraw/zinc/15/28/98/376152898.db2.gz MBLURMWIWSTLMY-NVNXTCNLSA-N 0 0 266.260 3.222 10 30 CGEERN Cc1cc(Oc2ccc(C#N)cc2F)c(C#N)c(C)n1 ZINC000227594319 376401596 /nfs/dbraw/zinc/40/15/96/376401596.db2.gz SGROMGMTSKDPFQ-UHFFFAOYSA-N 0 0 267.263 3.373 10 30 CGEERN CC[C@H](Nc1ccc([N+](=O)[O-])c(C#N)n1)c1cccs1 ZINC000234048879 376609500 /nfs/dbraw/zinc/60/95/00/376609500.db2.gz XJOTXQYIBJYYMS-VIFPVBQESA-N 0 0 288.332 3.486 10 30 CGEERN Cc1cnc([C@H](C)Nc2c(F)cc(C#N)cc2F)o1 ZINC000235536431 376643301 /nfs/dbraw/zinc/64/33/01/376643301.db2.gz FFWLFWPGAYMWKG-QMMMGPOBSA-N 0 0 263.247 3.306 10 30 CGEERN CCCCCCCC(=O)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000252009529 377610996 /nfs/dbraw/zinc/61/09/96/377610996.db2.gz XLZWRKAHZWEUIO-MJBXVCDLSA-N 0 0 253.386 3.031 10 30 CGEERN N=C(NN=Cc1ccccc1)OC/C=C/c1ccccc1 ZINC000575150574 377756108 /nfs/dbraw/zinc/75/61/08/377756108.db2.gz PMNLGKLHMQHPAB-JHIVCPBISA-N 0 0 279.343 3.275 10 30 CGEERN CC(C)OCc1ccc(Br)cc1C#N ZINC000260883783 377810090 /nfs/dbraw/zinc/81/00/90/377810090.db2.gz GBHDPMYZUWTVDK-UHFFFAOYSA-N 0 0 254.127 3.246 10 30 CGEERN CCOC(=O)c1cc(C#N)c(CC)cc1C(F)F ZINC000575389752 377897670 /nfs/dbraw/zinc/89/76/70/377897670.db2.gz PGXHEZYGYXVHFH-UHFFFAOYSA-N 0 0 253.248 3.235 10 30 CGEERN CCOC(=O)Cc1ccc(C#N)c(CC)c1C(F)(F)F ZINC000575390137 377898261 /nfs/dbraw/zinc/89/82/61/377898261.db2.gz WBEBLDNRIXJZHH-UHFFFAOYSA-N 0 0 285.265 3.245 10 30 CGEERN OCc1cc(F)cc(C(F)(F)F)c1C(F)(F)F ZINC000575339771 377881350 /nfs/dbraw/zinc/88/13/50/377881350.db2.gz QESANSOXEUOUEZ-UHFFFAOYSA-N 0 0 262.124 3.356 10 30 CGEERN COC(=O)c1cc(C#N)c(C(F)F)c(OC(F)(F)F)c1 ZINC000575344167 377883614 /nfs/dbraw/zinc/88/36/14/377883614.db2.gz SCFDOBCZCPDMJC-UHFFFAOYSA-N 0 0 295.163 3.181 10 30 CGEERN COC(=O)c1cc(Cl)c(C(F)(F)F)c(C#N)c1 ZINC000575383260 377893579 /nfs/dbraw/zinc/89/35/79/377893579.db2.gz LQJWLLNYNFAWGM-UHFFFAOYSA-N 0 0 263.602 3.017 10 30 CGEERN COC(=O)Cc1cc(C#N)c(C(F)(F)F)cc1C(F)F ZINC000575387659 377896484 /nfs/dbraw/zinc/89/64/84/377896484.db2.gz UHMKWFZXMQLNQE-UHFFFAOYSA-N 0 0 293.191 3.230 10 30 CGEERN N#CCc1cc(OC(F)F)c(C(F)(F)F)cc1C#N ZINC000575638994 377924078 /nfs/dbraw/zinc/92/40/78/377924078.db2.gz MJOJSTHRMHBGHA-UHFFFAOYSA-N 0 0 276.164 3.245 10 30 CGEERN CCOc1cc(C#N)cc(CC#N)c1C(F)(F)F ZINC000575642822 377926389 /nfs/dbraw/zinc/92/63/89/377926389.db2.gz HUUOHHPXFMAYAW-UHFFFAOYSA-N 0 0 254.211 3.042 10 30 CGEERN N#CCc1ccc(Br)c(F)c1OC(F)F ZINC000575681189 377955656 /nfs/dbraw/zinc/95/56/56/377955656.db2.gz ZQZQAPFKWFZXQH-UHFFFAOYSA-N 0 0 280.043 3.256 10 30 CGEERN COc1cc(CC#N)c(OC(F)F)c(C(F)F)c1 ZINC000575652580 377930639 /nfs/dbraw/zinc/93/06/39/377930639.db2.gz SGABBITZVIEZTO-UHFFFAOYSA-N 0 0 263.190 3.300 10 30 CGEERN COC(=O)c1ccc(C)c(SC(F)(F)F)c1C#N ZINC000575394766 377902310 /nfs/dbraw/zinc/90/23/10/377902310.db2.gz NUSLONAHZQKCAE-UHFFFAOYSA-N 0 0 275.251 3.265 10 30 CGEERN CCOC(=O)c1c(C)c(C(F)(F)F)ccc1C#N ZINC000575395320 377902427 /nfs/dbraw/zinc/90/24/27/377902427.db2.gz YAKKOKRTPJWESU-UHFFFAOYSA-N 0 0 257.211 3.062 10 30 CGEERN CCOC(=O)c1ccc(C(F)(F)F)c(C)c1C#N ZINC000575394671 377902474 /nfs/dbraw/zinc/90/24/74/377902474.db2.gz JIIBOKQVTUEVGR-UHFFFAOYSA-N 0 0 257.211 3.062 10 30 CGEERN Nc1cc(F)c(OC(F)(F)F)cc1C(F)(F)F ZINC000575397353 377904648 /nfs/dbraw/zinc/90/46/48/377904648.db2.gz MVJCIJJHYXCGDE-UHFFFAOYSA-N 0 0 263.112 3.325 10 30 CGEERN Nc1cc(F)c(C(F)(F)F)c(OC(F)(F)F)c1 ZINC000575397403 377905128 /nfs/dbraw/zinc/90/51/28/377905128.db2.gz ZIEVWFIZTILCGW-UHFFFAOYSA-N 0 0 263.112 3.325 10 30 CGEERN Cc1ccc(OC(F)F)c(C#N)c1Br ZINC000575684715 377959046 /nfs/dbraw/zinc/95/90/46/377959046.db2.gz WDPJMDDAKJCTHY-UHFFFAOYSA-N 0 0 262.053 3.231 10 30 CGEERN N#CCc1c(Br)cc(C(F)F)cc1[N+](=O)[O-] ZINC000575687986 377963215 /nfs/dbraw/zinc/96/32/15/377963215.db2.gz WVSDGWCUHUXNBO-UHFFFAOYSA-N 0 0 291.051 3.361 10 30 CGEERN N#Cc1c(Br)c(F)ccc1OC(F)(F)F ZINC000575689510 377964036 /nfs/dbraw/zinc/96/40/36/377964036.db2.gz PSRZRBIAKUSCFC-UHFFFAOYSA-N 0 0 284.006 3.358 10 30 CGEERN N#Cc1cc(F)cc(C(F)(F)F)c1Br ZINC000575690054 377965612 /nfs/dbraw/zinc/96/56/12/377965612.db2.gz SVCGEVSTXQPKQC-UHFFFAOYSA-N 0 0 268.007 3.479 10 30 CGEERN N#CCc1cc(O)cc(Br)c1C(F)(F)F ZINC000575691892 377967011 /nfs/dbraw/zinc/96/70/11/377967011.db2.gz RTLWVHVOSOYVAJ-UHFFFAOYSA-N 0 0 280.043 3.240 10 30 CGEERN CCc1ccc([N+](=O)[O-])c(OC(F)(F)F)c1CC#N ZINC000575705993 377978436 /nfs/dbraw/zinc/97/84/36/377978436.db2.gz LHQHUAVZNBTXBH-UHFFFAOYSA-N 0 0 274.198 3.122 10 30 CGEERN CCc1cc(CC#N)cc(I)c1C ZINC000575706762 377979370 /nfs/dbraw/zinc/97/93/70/377979370.db2.gz ZBICOYIVGCXHNV-UHFFFAOYSA-N 0 0 285.128 3.228 10 30 CGEERN CC1(C)CCCCN(c2ccc([N+](=O)[O-])c(C#N)c2)C1 ZINC000408444268 380011841 /nfs/dbraw/zinc/01/18/41/380011841.db2.gz RHYLNFBQQJMPKM-UHFFFAOYSA-N 0 0 273.336 3.483 10 30 CGEERN Cc1csc2ncnc(N[C@H]3CCC[C@@H]3C#N)c12 ZINC000408472440 380014069 /nfs/dbraw/zinc/01/40/69/380014069.db2.gz VFDSRDWZXRJEHO-ZJUUUORDSA-N 0 0 258.350 3.104 10 30 CGEERN CC(=O)N(C)c1ccc(/N=C\c2cccc([N+](=O)[O-])c2)cc1 ZINC000000498231 169656807 /nfs/dbraw/zinc/65/68/07/169656807.db2.gz IQCQTSBMYITXGZ-BOPFTXTBSA-N 0 0 297.314 3.328 10 30 CGEERN Cc1n[nH]c(C)c1NC(=O)[C@H]1C[C@]12CCOc1ccccc12 ZINC000328816856 542445051 /nfs/dbraw/zinc/44/50/51/542445051.db2.gz CZOCFVHNJUHEBP-DYVFJYSZSA-N 0 0 297.358 3.355 10 30 CGEERN CCOC(=O)c1ccc(-n2c(C#N)cc(C)c2Cl)cc1 ZINC000080316748 177639939 /nfs/dbraw/zinc/63/99/39/177639939.db2.gz BABRDARXCZUXAN-UHFFFAOYSA-N 0 0 288.734 3.488 10 30 CGEERN C[C@@H](Nc1ccc([N+](=O)[O-])cc1C#N)C1CCCC1 ZINC000054080103 392088626 /nfs/dbraw/zinc/08/86/26/392088626.db2.gz BYULKASWKVJUAJ-SNVBAGLBSA-N 0 0 259.309 3.457 10 30 CGEERN Cc1nc(N[C@@H]2CCOc3ccccc32)ccc1C#N ZINC000291643674 392476305 /nfs/dbraw/zinc/47/63/05/392476305.db2.gz MVFGEVHOGVLVIS-CQSZACIVSA-N 0 0 265.316 3.197 10 30 CGEERN Cc1cc(N2CCc3sccc3C2)c(C#N)c(C)n1 ZINC000156541196 392547728 /nfs/dbraw/zinc/54/77/28/392547728.db2.gz ULYWPDHABUHXDH-UHFFFAOYSA-N 0 0 269.373 3.194 10 30 CGEERN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](C)c1ccc(C)o1 ZINC000193285108 392874580 /nfs/dbraw/zinc/87/45/80/392874580.db2.gz FUBOLKJYKFLGOJ-ZIAGYGMSSA-N 0 0 278.396 3.052 10 30 CGEERN C[C@H](CC1CCCCC1)C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000408328184 392972346 /nfs/dbraw/zinc/97/23/46/392972346.db2.gz FXHGWPYVLMOLLJ-VHDGCEQUSA-N 0 0 262.397 3.401 10 30 CGEERN Cc1sc2ncnc(N[C@H]3CCC[C@@H]3C#N)c2c1C ZINC000408327712 392971842 /nfs/dbraw/zinc/97/18/42/392971842.db2.gz GEYLQEYZBAPBMW-MNOVXSKESA-N 0 0 272.377 3.412 10 30 CGEERN N#Cc1ccc(C(=O)CN2CCCc3ccccc32)cc1 ZINC000035020320 134786886 /nfs/dbraw/zinc/78/68/86/134786886.db2.gz DLWXCYSMLIEQLN-UHFFFAOYSA-N 0 0 276.339 3.194 10 30 CGEERN Cc1ccc2c(c1)C(=O)/C(=C1/Nc3ccc(C)cc3C1=O)N2 ZINC000209288597 292306065 /nfs/dbraw/zinc/30/60/65/292306065.db2.gz WJFVOJHPDHDUHV-NXVVXOECSA-N 0 0 290.322 3.432 10 30 CGEERN CCN(C(=O)[C@@H]1CC[C@H](C)O1)c1ccc(C#N)c(Cl)c1 ZINC000091206835 165260980 /nfs/dbraw/zinc/26/09/80/165260980.db2.gz UXINUWHRBZJNEY-HZMBPMFUSA-N 0 0 292.766 3.132 10 30 CGEERN COc1ccc(/C=N/c2ccc3nccnc3c2)cc1 ZINC000003155704 169861595 /nfs/dbraw/zinc/86/15/95/169861595.db2.gz OJJDAYXCTNVOAD-YBFXNURJSA-N 0 0 263.300 3.389 10 30 CGEERN COC[C@@H](C)Nc1oc(-c2ccc(Cl)cc2)nc1C#N ZINC000004980068 170048401 /nfs/dbraw/zinc/04/84/01/170048401.db2.gz DGGIVTFFWDUKRJ-SECBINFHSA-N 0 0 291.738 3.313 10 30 CGEERN C/C(=N/N=C1/NC(=O)[C@H](C)S1)c1ccc2ccccc2c1 ZINC000006267700 170186996 /nfs/dbraw/zinc/18/69/96/170186996.db2.gz JDMOYGTZEKSUOC-TZQXVGBESA-N 0 0 297.383 3.171 10 30 CGEERN C[C@H](Oc1cccc(C#N)c1)C(=O)c1ccc(F)cc1 ZINC000006401560 170198792 /nfs/dbraw/zinc/19/87/92/170198792.db2.gz DBAQDSNPIXREQT-NSHDSACASA-N 0 0 269.275 3.348 10 30 CGEERN CC(C)(C)OC(=O)N[C@H](C=O)CC1CCCCC1 ZINC000013588596 170566646 /nfs/dbraw/zinc/56/66/46/170566646.db2.gz WRSGJTAPAYTZOO-LBPRGKRZSA-N 0 0 255.358 3.049 10 30 CGEERN C=CCN(CC=C)C(=O)c1ccc(OCC)cc1OCC ZINC000014646771 170641012 /nfs/dbraw/zinc/64/10/12/170641012.db2.gz RFUHASPUSYAFFW-UHFFFAOYSA-N 0 0 289.375 3.298 10 30 CGEERN N#Cc1cccc(NC(=O)c2ccc(Cl)c(N)c2)c1 ZINC000019256108 170759450 /nfs/dbraw/zinc/75/94/50/170759450.db2.gz MDGNIFCFGMXJKJ-UHFFFAOYSA-N 0 0 271.707 3.046 10 30 CGEERN C/C(=N\O)c1ccccc1NC(=O)Cc1ccc(F)cc1 ZINC000019432305 170797968 /nfs/dbraw/zinc/79/79/68/170797968.db2.gz PBRBKIYNNAZLST-YBFXNURJSA-N 0 0 286.306 3.205 10 30 CGEERN N#Cc1ccccc1COCc1ccc2c(c1)OCO2 ZINC000019502508 170815014 /nfs/dbraw/zinc/81/50/14/170815014.db2.gz UWAMIJMEKDPHLD-UHFFFAOYSA-N 0 0 267.284 3.004 10 30 CGEERN N#Cc1cccc(CNCc2nc3ccccc3s2)c1 ZINC000020136059 171023287 /nfs/dbraw/zinc/02/32/87/171023287.db2.gz IVIKSJCIDXMUAI-UHFFFAOYSA-N 0 0 279.368 3.458 10 30 CGEERN C=CCn1c(S[C@@H](C)CC)nnc1C(F)(F)F ZINC000020840315 171275645 /nfs/dbraw/zinc/27/56/45/171275645.db2.gz VCXKZBUAQGCTPO-ZETCQYMHSA-N 0 0 265.304 3.374 10 30 CGEERN Cc1ccc(N[C@@H](C)CC#N)cc1Br ZINC000032107767 171699786 /nfs/dbraw/zinc/69/97/86/171699786.db2.gz PXVLTSQHTPQFKL-VIFPVBQESA-N 0 0 253.143 3.472 10 30 CGEERN C[C@H](C#N)CC(=O)c1cccc(Br)c1 ZINC000033426746 171793831 /nfs/dbraw/zinc/79/38/31/171793831.db2.gz RRMIJNOAGHYSSP-QMMMGPOBSA-N 0 0 252.111 3.182 10 30 CGEERN N#Cc1ccc(Sc2ccc([N+](=O)[O-])cc2)nc1 ZINC000035286513 172104584 /nfs/dbraw/zinc/10/45/84/172104584.db2.gz DLXVQHGAQPETAS-UHFFFAOYSA-N 0 0 257.274 3.013 10 30 CGEERN N#Cc1ccc(Sc2ccccc2[N+](=O)[O-])nc1 ZINC000035286687 172104592 /nfs/dbraw/zinc/10/45/92/172104592.db2.gz HENGTIMBFRHYSL-UHFFFAOYSA-N 0 0 257.274 3.013 10 30 CGEERN C[C@@H]1CSC(Nc2ccc(OC(F)F)cc2)=N1 ZINC000035295256 172107260 /nfs/dbraw/zinc/10/72/60/172107260.db2.gz YLUFCWRBPSRETF-SSDOTTSWSA-N 0 0 258.293 3.000 10 30 CGEERN Cc1ccc(OCc2ccc(C#N)cc2)c([C@@H](C)O)c1 ZINC000035630185 172311748 /nfs/dbraw/zinc/31/17/48/172311748.db2.gz QGXLCKOISADGRI-CYBMUJFWSA-N 0 0 267.328 3.499 10 30 CGEERN CC[C@@H](C)N[C@H](C#N)c1ccc(OC)c(Br)c1 ZINC000038064548 174075227 /nfs/dbraw/zinc/07/52/27/174075227.db2.gz BQQYBTBKIFPJJG-BXKDBHETSA-N 0 0 297.196 3.410 10 30 CGEERN N#Cc1ccc(Oc2nc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000038082299 174091143 /nfs/dbraw/zinc/09/11/43/174091143.db2.gz OOYZNYCVPANJAY-UHFFFAOYSA-N 0 0 275.651 3.307 10 30 CGEERN Cc1ccsc1C(=O)NC1(C#N)CCCCCC1 ZINC000040221542 174207054 /nfs/dbraw/zinc/20/70/54/174207054.db2.gz VGDMXVCVEVYOMY-UHFFFAOYSA-N 0 0 262.378 3.403 10 30 CGEERN CCCCNc1oc(-c2ccccc2[N+](=O)[O-])nc1C#N ZINC000040373732 174249229 /nfs/dbraw/zinc/24/92/29/174249229.db2.gz ZSLDXEWTADAAFK-UHFFFAOYSA-N 0 0 286.291 3.333 10 30 CGEERN C=CCNc1ncnc(NC23CC4CC(CC(C4)C2)C3)c1N ZINC000040708909 174380404 /nfs/dbraw/zinc/38/04/04/174380404.db2.gz CRECDGJZTCVJKE-UHFFFAOYSA-N 0 0 299.422 3.037 10 30 CGEERN COc1cccc(NC(=O)[C@@H](C#N)Cc2ccccc2)c1 ZINC000044811693 175258081 /nfs/dbraw/zinc/25/80/81/175258081.db2.gz ZJEXLCULQKMYPO-CQSZACIVSA-N 0 0 280.327 3.016 10 30 CGEERN CCCn1cc(C#N)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000072236991 176346296 /nfs/dbraw/zinc/34/62/96/176346296.db2.gz NPWHWNBCUNWTNG-UHFFFAOYSA-N 0 0 280.249 3.302 10 30 CGEERN NC(=O)[C@@H]1CCC[C@H](NC(=O)C[C@H]2CCCCNC2=O)C1 ZINC000329256382 227386490 /nfs/dbraw/zinc/38/64/90/227386490.db2.gz BPMYXBALUWEPCO-UTUOFQBUSA-N 0 0 295.383 3.184 10 30 CGEERN Cc1cc(CS)c(C)cc1I ZINC000725245951 544112644 /nfs/dbraw/zinc/11/26/44/544112644.db2.gz OFQNWUJHWDMRNZ-UHFFFAOYSA-N 0 0 278.158 3.338 10 30 CGEERN Cc1cnc([C@@H](C)NC(=O)c2oc(C3CC3)nc2C)o1 ZINC000329578224 227615950 /nfs/dbraw/zinc/61/59/50/227615950.db2.gz OZTBBDRAZYVGGZ-SECBINFHSA-N 0 0 275.308 3.223 10 30 CGEERN Cc1nnc(-c2ccccc2C(=O)N[C@@H]2CCC[C@@H]2C#N)o1 ZINC000330080646 228034411 /nfs/dbraw/zinc/03/44/11/228034411.db2.gz PEFLVWVTOQJAOF-BXUZGUMPSA-N 0 0 296.330 3.042 10 30 CGEERN C[C@H](C1CC1)n1cc(NC(=O)N2CC[C@H]3CCC[C@H]32)cn1 ZINC000330251372 228080462 /nfs/dbraw/zinc/08/04/62/228080462.db2.gz NNUMRCRVCGTFRI-UXIGCNINSA-N 0 0 288.395 3.274 10 30 CGEERN CC1(C)CCC(CC(=O)N[C@H]2CCC[C@@H]2C#N)CC1 ZINC000407962456 260084570 /nfs/dbraw/zinc/08/45/70/260084570.db2.gz BETNHRGRGNYVPX-KGLIPLIRSA-N 0 0 262.397 3.401 10 30 CGEERN CCN(C[C@H](C)C#N)C(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000160849076 262301827 /nfs/dbraw/zinc/30/18/27/262301827.db2.gz SVJNRIXXPLSRFV-YUELXQCFSA-N 0 0 262.397 3.211 10 30 CGEERN C=C(Br)CN1CCC[C@H]1c1nccs1 ZINC000366690161 263131809 /nfs/dbraw/zinc/13/18/09/263131809.db2.gz UPUFMEMDWFAXAT-VIFPVBQESA-N 0 0 273.199 3.189 10 30 CGEERN O=C(CC[C@@H]1CCCCO1)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328759280 263856319 /nfs/dbraw/zinc/85/63/19/263856319.db2.gz WPRMRRMLKRVHLT-QWHCGFSZSA-N 0 0 294.395 3.334 10 30 CGEERN CO[C@]1(C)C[C@H](NC(=O)C[C@H]2CCCCC(=O)N2)C1(C)C ZINC000328850633 263879543 /nfs/dbraw/zinc/87/95/43/263879543.db2.gz WNILZBAFQHSIAD-BFQNTYOBSA-N 0 0 296.411 3.436 10 30 CGEERN Cc1cc(Cl)cc(C(=O)N[C@H]2CCC[C@H]2C#N)c1 ZINC000130610857 264361157 /nfs/dbraw/zinc/36/11/57/264361157.db2.gz UDWGXKRDAIOOOT-GWCFXTLKSA-N 0 0 262.740 3.071 10 30 CGEERN Cc1ccc([C@H](C)NC(=O)c2cc(C#N)cs2)o1 ZINC000084168047 270043219 /nfs/dbraw/zinc/04/32/19/270043219.db2.gz IFJOAYWJPIYJEZ-VIFPVBQESA-N 0 0 260.318 3.012 10 30 CGEERN N#CCOc1ccccc1C(=O)N1CCC[C@H]1c1ccco1 ZINC000116045811 267120986 /nfs/dbraw/zinc/12/09/86/267120986.db2.gz HAHGDGZAYUOMHI-AWEZNQCLSA-N 0 0 296.326 3.159 10 30 CGEERN CCNC(=S)NN=C(C)c1cc2ccccc2o1 ZINC000008693982 275804244 /nfs/dbraw/zinc/80/42/44/275804244.db2.gz MQKJMEMNJUTICD-OQLLNIDSSA-N 0 0 261.350 3.052 10 30 CGEERN CC1(C#N)CCN(C(=O)N[C@H]2CCC23CCCC3)CC1 ZINC000335213383 278170822 /nfs/dbraw/zinc/17/08/22/278170822.db2.gz QVQNKBBCHSWMKN-ZDUSSCGKSA-N 0 0 275.396 3.044 10 30 CGEERN C[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(C#N)n2)[C@H]1C ZINC000300171960 278523455 /nfs/dbraw/zinc/52/34/55/278523455.db2.gz CUFIRMBDELZZEK-VWYCJHECSA-N 0 0 274.324 3.098 10 30 CGEERN O=C(C1=C(O)C(=Cc2ccccc2)CC1)C(F)(F)F ZINC000199764273 280077177 /nfs/dbraw/zinc/07/71/77/280077177.db2.gz YHCQOFRNSGAFCX-RJCSOLBVSA-N 0 0 268.234 3.181 10 30 CGEERN Cc1nc(N[C@H]2CCOc3ccccc32)ccc1C#N ZINC000291643671 281980474 /nfs/dbraw/zinc/98/04/74/281980474.db2.gz MVFGEVHOGVLVIS-AWEZNQCLSA-N 0 0 265.316 3.197 10 30 CGEERN N[C@@H](c1ccc(C(F)(F)F)c(F)c1)C(F)(F)F ZINC000072195537 295295751 /nfs/dbraw/zinc/29/57/51/295295751.db2.gz FBEWIBUBRPOPFD-ZETCQYMHSA-N 0 0 261.140 3.407 10 30 CGEERN C[C@]1(C(=O)N[C@@H]2CCc3ccccc32)CCCNC1=O ZINC000330297142 300742071 /nfs/dbraw/zinc/74/20/71/300742071.db2.gz GSMLZJUFHHRFOJ-CJNGLKHVSA-N 0 0 272.348 3.387 10 30 CGEERN CC(C)(C#N)CC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000408274349 327376804 /nfs/dbraw/zinc/37/68/04/327376804.db2.gz KNDOLUKQPBJYJR-ZJUUUORDSA-N 0 0 276.302 3.164 10 30 CGEERN C=CCCOCCNC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000180551636 329220754 /nfs/dbraw/zinc/22/07/54/329220754.db2.gz SFBRNSRQSUPLFX-ZIAGYGMSSA-N 0 0 267.413 3.158 10 30 CGEERN C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000185543708 329326239 /nfs/dbraw/zinc/32/62/39/329326239.db2.gz LOEJQWHJZPZTCM-IUODEOHRSA-N 0 0 289.423 3.303 10 30 CGEERN C=CCC1(C(=O)N2CCO[C@@H](c3ccc(C)o3)C2)CCC1 ZINC000189764299 329388115 /nfs/dbraw/zinc/38/81/15/329388115.db2.gz DQSYNQXSWSYZNJ-OAHLLOKOSA-N 0 0 289.375 3.234 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NCc1cc(Cl)ccc1F ZINC000131751171 329640023 /nfs/dbraw/zinc/64/00/23/329640023.db2.gz UPRNOCOWIFLXKV-ZANVPECISA-N 0 0 252.720 3.261 10 30 CGEERN Cc1[nH]nc(-c2cccc(C#N)c2)c1C(F)(F)F ZINC000536957684 330383701 /nfs/dbraw/zinc/38/37/01/330383701.db2.gz CYLIYFOICUQBRB-UHFFFAOYSA-N 0 0 251.211 3.276 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1cc(F)c(Cl)cc1F ZINC000167553974 331308468 /nfs/dbraw/zinc/30/84/68/331308468.db2.gz RRJHORROAQAASV-JVXZTZIISA-N 0 0 284.693 3.040 10 30 CGEERN Cc1ccc([C@H](C)NC(=O)NCCCCC#N)cc1F ZINC000087086123 333081268 /nfs/dbraw/zinc/08/12/68/333081268.db2.gz QFCBQQHMSGVIPZ-LBPRGKRZSA-N 0 0 277.343 3.188 10 30 CGEERN C=C(C)C[C@@H](C)C(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000184941549 333133515 /nfs/dbraw/zinc/13/35/15/333133515.db2.gz UWAIVDBWPRYKJW-MNOVXSKESA-N 0 0 263.303 3.390 10 30 CGEERN C=C[C@@](C)(CC)C(=O)N[C@H](CCC)C(=O)OC(C)(C)C ZINC000189214652 333185913 /nfs/dbraw/zinc/18/59/13/333185913.db2.gz UORIUMBVLLUJBV-WBMJQRKESA-N 0 0 283.412 3.215 10 30 CGEERN CC(C)c1nnc(CSc2ccccc2C#N)n1C ZINC000173720192 335139402 /nfs/dbraw/zinc/13/94/02/335139402.db2.gz GZYDTJUUYVIHFL-UHFFFAOYSA-N 0 0 272.377 3.102 10 30 CGEERN C[C@H](C#N)CNC(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000248433642 334301658 /nfs/dbraw/zinc/30/16/58/334301658.db2.gz DIWNBFQNIJKCMB-LALPHHSUSA-N 0 0 271.364 3.084 10 30 CGEERN C=CCN(CCc1ccccc1)Cc1nnc(C(C)C)n1C ZINC000195116422 336046197 /nfs/dbraw/zinc/04/61/97/336046197.db2.gz UYSUDNIDLZLQAH-UHFFFAOYSA-N 0 0 298.434 3.169 10 30 CGEERN CC(C)N[C@H](C#N)CCOc1ccc(C(C)C)cc1 ZINC000062445535 519738198 /nfs/dbraw/zinc/73/81/98/519738198.db2.gz ZXKWBABZNZKQIM-HNNXBMFYSA-N 0 0 260.381 3.469 10 30 CGEERN CCOC(=O)[C@H](/N=C\c1ccccc1)c1ccccc1 ZINC000255004050 521182488 /nfs/dbraw/zinc/18/24/88/521182488.db2.gz LOPYPCFPVBVOPQ-OKSBFYSISA-N 0 0 267.328 3.410 10 30 CGEERN COC(=O)c1ccc(CO/N=C/c2ccccc2OC)cc1 ZINC000003320847 522042657 /nfs/dbraw/zinc/04/26/57/522042657.db2.gz JTPQYENVKOKNIC-WOJGMQOQSA-N 0 0 299.326 3.033 10 30 CGEERN Cc1nc2cc(C(=O)N[C@@H]3CCC[C@@H]3C#N)ccc2o1 ZINC000329986434 534637567 /nfs/dbraw/zinc/63/75/67/534637567.db2.gz RUYGTVABCCPXIY-VXGBXAGGSA-N 0 0 269.304 3.133 10 30 CGEERN CC[C@H](NCc1cccnc1C#N)c1ccccc1 ZINC000061658802 522659180 /nfs/dbraw/zinc/65/91/80/522659180.db2.gz HHJFIQMSSCMGRM-HNNXBMFYSA-N 0 0 251.333 3.194 10 30 CGEERN Cc1ncsc1CNC(=O)C[C@@H]1CCCCNC1=O ZINC000329268874 534787984 /nfs/dbraw/zinc/78/79/84/534787984.db2.gz GSYJWNSIGSHYGV-JTQLQIEISA-N 0 0 281.381 3.055 10 30 CGEERN CC(C)(CNC(=O)N[C@@H]1CCC[C@H]1C#N)C1=CCCC1 ZINC000333651219 527140743 /nfs/dbraw/zinc/14/07/43/527140743.db2.gz UVTVXLGJROKRFQ-GXTWGEPZSA-N 0 0 275.396 3.114 10 30 CGEERN CC(C)(CNC(=O)N[C@H]1CCC[C@H]1C#N)C1=CCCC1 ZINC000333651221 527145210 /nfs/dbraw/zinc/14/52/10/527145210.db2.gz UVTVXLGJROKRFQ-JSGCOSHPSA-N 0 0 275.396 3.114 10 30 CGEERN O=C[C@@]1(c2ccc(Br)cc2)C[C@H](F)C1 ZINC000725258877 567916978 /nfs/dbraw/zinc/91/69/78/567916978.db2.gz BVDAZCOCXDPGSP-PHIMTYICSA-N 0 0 257.102 3.018 10 30 CGEERN CCCCCCCn1cc(Br)c(N)n1 ZINC000103672640 570279586 /nfs/dbraw/zinc/27/95/86/570279586.db2.gz DGWJKPHNGSKMMF-UHFFFAOYSA-N 0 0 260.179 3.198 10 30 CGEERN C[C@@H](Nc1ccc(C#N)cc1Cl)[C@H]1CCCO1 ZINC000062790886 618901689 /nfs/dbraw/zinc/90/16/89/618901689.db2.gz FTXIEYLPGCYKHK-NOZJJQNGSA-N 0 0 250.729 3.191 10 30 CGEERN CSC(=NC#N)N1CCC(Cc2ccccc2)CC1 ZINC000250941522 619289668 /nfs/dbraw/zinc/28/96/68/619289668.db2.gz JNUSGYUAJJIBLF-UHFFFAOYSA-N 0 0 273.405 3.141 10 30 CGEERN CCCCCCCC(=O)N[C@H]1CCCC[C@@H]1CO ZINC000151127638 622732996 /nfs/dbraw/zinc/73/29/96/622732996.db2.gz GRUNBFMZKHWOFN-KGLIPLIRSA-N 0 0 255.402 3.014 10 30 CGEERN C=CCCO[C@H](C)C(=O)O[C@H]1C[C@H](OCC)C12CCCC2 ZINC000119665789 629682510 /nfs/dbraw/zinc/68/25/10/629682510.db2.gz DOLFCTXILQSUNP-ILXRZTDVSA-N 0 0 296.407 3.249 10 30 CGEERN CCCCCCCCCC(=O)N1CC[C@H](CCO)C1 ZINC000126932316 635385967 /nfs/dbraw/zinc/38/59/67/635385967.db2.gz GEVCDYZPOJXPQT-OAHLLOKOSA-N 0 0 269.429 3.358 10 30 CGEERN Cn1cc(C#N)cc1C(=O)O[C@@H]1CCCc2ccccc21 ZINC000083687406 640598037 /nfs/dbraw/zinc/59/80/37/640598037.db2.gz GKLJYBGHYCVFSR-MRXNPFEDSA-N 0 0 280.327 3.131 10 30 CGEERN C/C(=C\c1ccc(C)cc1)C(=O)O[C@@H](C#N)C1CC1 ZINC000588402032 799688940 /nfs/dbraw/zinc/68/89/40/799688940.db2.gz YPAMFJFFHTVUSO-RZXPCSSPSA-N 0 0 255.317 3.244 10 30 CGEERN O=C(/C=C\c1cocn1)c1cccc(OC(F)(F)F)c1 ZINC000588579976 799717342 /nfs/dbraw/zinc/71/73/42/799717342.db2.gz YEXGSFSQRHRFGR-PLNGDYQASA-N 0 0 283.205 3.469 10 30 CGEERN C=CCC1([NH2+]Cc2ccccc2CC(=O)[O-])CCCC1 ZINC000690753924 976331001 /nfs/dbraw/zinc/33/10/01/976331001.db2.gz IJMZVZJTMDTCFU-UHFFFAOYSA-N 0 0 273.376 3.292 10 30 CGEERN CC(C)(C)NC(=O)c1ccc(C#Cc2cccc(F)c2)cn1 ZINC000096933543 185132872 /nfs/dbraw/zinc/13/28/72/185132872.db2.gz JLWSPMKXIJPOLG-UHFFFAOYSA-N 0 0 296.345 3.149 10 30 CGEERN C(#Cc1ccc(C#Cc2ccncc2)cc1)c1ccncc1 ZINC000034049536 344937332 /nfs/dbraw/zinc/93/73/32/344937332.db2.gz ONNGGLJSLBGWLB-UHFFFAOYSA-N 0 0 280.330 3.276 10 30 CGEERN CCCCN(CCC)c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000034472472 344939803 /nfs/dbraw/zinc/93/98/03/344939803.db2.gz WDNJLNXWIONUPR-UHFFFAOYSA-N 0 0 261.325 3.483 10 30 CGEERN N#C[C@@H]1O[C@@H](c2ccccc2)Cc2c(O)cccc21 ZINC000034723642 344940863 /nfs/dbraw/zinc/94/08/63/344940863.db2.gz OTRNDIQKOFSBAX-CVEARBPZSA-N 0 0 251.285 3.271 10 30 CGEERN O=C(/C=C/CCCC[C@H](O)c1ccc2ccccc2c1)NO ZINC000036462011 344944208 /nfs/dbraw/zinc/94/42/08/344944208.db2.gz DHJCHUMLAXSDKC-COKXLDBZSA-N 0 0 299.370 3.495 10 30 CGEERN N#Cc1cc2c(nc1OCc1ccccc1)CCC2 ZINC000043407377 344997473 /nfs/dbraw/zinc/99/74/73/344997473.db2.gz VESIWPWBPLBUJL-UHFFFAOYSA-N 0 0 250.301 3.021 10 30 CGEERN CCCCCCCCCCCCNc1cc(=O)[nH]c(=O)[nH]1 ZINC000043938713 345005331 /nfs/dbraw/zinc/00/53/31/345005331.db2.gz MCWKRGUQAARPCJ-UHFFFAOYSA-N 0 0 295.427 3.396 10 30 CGEERN C=C(Br)Cn1cc(C=O)c2ccccc21 ZINC000070735354 345393976 /nfs/dbraw/zinc/39/39/76/345393976.db2.gz IQDOEBKSXWYGQM-UHFFFAOYSA-N 0 0 264.122 3.362 10 30 CGEERN C[C@@H](C#N)Oc1cc(Br)ccc1Cl ZINC000070984049 345399797 /nfs/dbraw/zinc/39/97/97/345399797.db2.gz MTRWBZDEPZWJGR-LURJTMIESA-N 0 0 260.518 3.393 10 30 CGEERN CCOC(=O)CC[C@@H](C)Nc1c(C#N)cnc2ccccc21 ZINC000089652144 345773162 /nfs/dbraw/zinc/77/31/62/345773162.db2.gz YNIBLNSKPXIOCA-GFCCVEGCSA-N 0 0 297.358 3.250 10 30 CGEERN CCCCCCCCC(C)(C(=O)OC)C(=O)OC ZINC000113936111 345962576 /nfs/dbraw/zinc/96/25/76/345962576.db2.gz YMLXWTVFFXRFIC-UHFFFAOYSA-N 0 0 258.358 3.089 10 30 CGEERN C#Cc1cccc(C#Cc2ccc(CCC(=O)OC)cc2)c1 ZINC000116497823 345978457 /nfs/dbraw/zinc/97/84/57/345978457.db2.gz KARISSLVGXVLES-UHFFFAOYSA-N 0 0 288.346 3.173 10 30 CGEERN CC1(C)C[C@@](Br)(C#N)c2ccccc2O1 ZINC000127643968 346033098 /nfs/dbraw/zinc/03/30/98/346033098.db2.gz KGRJNANFDUKFJL-GFCCVEGCSA-N 0 0 266.138 3.361 10 30 CGEERN COc1ccc(Oc2cc(N)c(F)cc2C#N)cc1 ZINC000137117829 346092458 /nfs/dbraw/zinc/09/24/58/346092458.db2.gz YWPVRDMDFNQYCJ-UHFFFAOYSA-N 0 0 258.252 3.080 10 30 CGEERN N#CCCC(=O)c1ccc(Br)c(F)c1 ZINC000161538026 346175990 /nfs/dbraw/zinc/17/59/90/346175990.db2.gz GERWUXCUXBGLJL-UHFFFAOYSA-N 0 0 256.074 3.075 10 30 CGEERN C=C(C)CNc1ncc(Cl)cc1Br ZINC000162807129 346179596 /nfs/dbraw/zinc/17/95/96/346179596.db2.gz CZKYUNIAHWNWQW-UHFFFAOYSA-N 0 0 261.550 3.486 10 30 CGEERN CC#CCC(=O)c1ccc(Br)c(C)c1 ZINC000167875571 346189029 /nfs/dbraw/zinc/18/90/29/346189029.db2.gz NUNRXIZWALVLFQ-UHFFFAOYSA-N 0 0 251.123 3.354 10 30 CGEERN COc1cc(CC#N)c(Cl)cc1Br ZINC000218073774 346292293 /nfs/dbraw/zinc/29/22/93/346292293.db2.gz GAQWMSINKJYAIJ-UHFFFAOYSA-N 0 0 260.518 3.177 10 30 CGEERN CC#CC(=O)Nc1c(Cl)cc(F)cc1Br ZINC000232637349 346326842 /nfs/dbraw/zinc/32/68/42/346326842.db2.gz LMBXEDWNSXREQJ-UHFFFAOYSA-N 0 0 290.519 3.203 10 30 CGEERN C=C(Br)CNc1cccc(N(C)C)c1 ZINC000227988302 346312532 /nfs/dbraw/zinc/31/25/32/346312532.db2.gz ORYRPBLTOSDOMA-UHFFFAOYSA-N 0 0 255.159 3.073 10 30 CGEERN C#CCC(=O)c1cc(Cl)ccc1Br ZINC000236055123 346339349 /nfs/dbraw/zinc/33/93/49/346339349.db2.gz AMIAUEPZUPUGMV-UHFFFAOYSA-N 0 0 257.514 3.309 10 30 CGEERN COc1ccc(N=Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000257352013 346399419 /nfs/dbraw/zinc/39/94/19/346399419.db2.gz IMXJIBCYHQNBOP-UHFFFAOYSA-N 0 0 256.261 3.354 10 30 CGEERN CCO[C@]1(C#N)C=CC(N=Cc2ccccc2)=CC1 ZINC000257354107 346400006 /nfs/dbraw/zinc/40/00/06/346400006.db2.gz VTRLAFZROKKXDX-MRXNPFEDSA-N 0 0 252.317 3.248 10 30 CGEERN N#CC1(Cc2cccc(F)c2Br)CC1 ZINC000306303739 346453561 /nfs/dbraw/zinc/45/35/61/346453561.db2.gz BLDBSZPGEUJCIG-UHFFFAOYSA-N 0 0 254.102 3.434 10 30 CGEERN N#C[C@@]1(Cc2coc(Br)c2)CCCS1 ZINC000307251121 346460702 /nfs/dbraw/zinc/46/07/02/346460702.db2.gz QFQRGOGZOCCKCM-JTQLQIEISA-N 0 0 272.167 3.374 10 30 CGEERN N#C[C@@H](c1cscc1Br)N1CCCC1 ZINC000307719435 346464956 /nfs/dbraw/zinc/46/49/56/346464956.db2.gz RLXZCATWZRLASH-JTQLQIEISA-N 0 0 271.183 3.171 10 30 CGEERN N#Cc1nc(NCCCCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000236124431 232523070 /nfs/dbraw/zinc/52/30/70/232523070.db2.gz VVEPCEFXOYODLE-UHFFFAOYSA-N 0 0 288.229 3.006 10 30 CGEERN N#C[C@H](c1cccc(F)c1)[C@@H](CCO)c1cncs1 ZINC000584639365 346702064 /nfs/dbraw/zinc/70/20/64/346702064.db2.gz WLJZMIYVOAFMOH-CHWSQXEVSA-N 0 0 276.336 3.056 10 30 CGEERN C=CC[C@]1(OC(C)=O)CCc2c(OC)ccc(OC)c2C1 ZINC000584660395 346705930 /nfs/dbraw/zinc/70/59/30/346705930.db2.gz YGCDAINEUOYLMA-KRWDZBQOSA-N 0 0 290.359 3.071 10 30 CGEERN C[C@H](C(=O)ON(C)OC(=O)[C@@H](C)C(C)(C)C)C(C)(C)C ZINC000585656152 346725874 /nfs/dbraw/zinc/72/58/74/346725874.db2.gz QHQUNYPUXNSVRP-GHMZBOCLSA-N 0 0 287.400 3.199 10 30 CGEERN CSc1ccc(CC[C@@H](C)N=C(C)NC#N)cc1 ZINC000584601640 346689683 /nfs/dbraw/zinc/68/96/83/346689683.db2.gz GQMQTVKNYBCERB-LLVKDONJSA-N 0 0 261.394 3.219 10 30 CGEERN COc1cccc(C2CCC(=NOC(C)=O)CC2)c1 ZINC000584601385 346689860 /nfs/dbraw/zinc/68/98/60/346689860.db2.gz LFSZIGRBBDZJFL-UHFFFAOYSA-N 0 0 261.321 3.272 10 30 CGEERN C#C[C@@](OC(C)=O)(c1ccc(Cl)cc1)C1(C#N)CC1 ZINC000584603288 346690226 /nfs/dbraw/zinc/69/02/26/346690226.db2.gz QCKSDXBNHQFLDD-OAHLLOKOSA-N 0 0 273.719 3.035 10 30 CGEERN COc1cc2c(C#N)nc(C)cc2cc1Br ZINC000584619869 346695274 /nfs/dbraw/zinc/69/52/74/346695274.db2.gz JJVHBKYWCGLOGE-UHFFFAOYSA-N 0 0 277.121 3.186 10 30 CGEERN Cc1cc(F)ccc1C1=CC[C@@H](OS(C)(=O)=O)CC1 ZINC000584631301 346699090 /nfs/dbraw/zinc/69/90/90/346699090.db2.gz KMXMDVHMBYZAHN-CYBMUJFWSA-N 0 0 284.352 3.046 10 30 CGEERN CC(=O)C1=CN(Cc2ccccc2)C=C[C@@]1(C)C#N ZINC000584636876 346700896 /nfs/dbraw/zinc/70/08/96/346700896.db2.gz WWGWRJSVAVSINS-INIZCTEOSA-N 0 0 252.317 3.019 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)c1cscc1C(F)(F)F ZINC000598690146 347679355 /nfs/dbraw/zinc/67/93/55/347679355.db2.gz JLEADULATFFPJX-GMSGAONNSA-N 0 0 288.294 3.189 10 30 CGEERN CC(=O)N1CC[C@H](c2ccccc2C#N)c2ccccc21 ZINC000616586423 348837052 /nfs/dbraw/zinc/83/70/52/348837052.db2.gz AMQKDEKWKNQGTD-MRXNPFEDSA-N 0 0 276.339 3.447 10 30 CGEERN CC(=O)N1CC[C@H](c2cccc(C#N)c2)c2ccccc21 ZINC000616590243 348837714 /nfs/dbraw/zinc/83/77/14/348837714.db2.gz YQNMRLBCWJVUNW-MRXNPFEDSA-N 0 0 276.339 3.447 10 30 CGEERN N#Cc1ccc([C@@H]2CCc3ccccc3N2CCO)cc1 ZINC000616595847 348839100 /nfs/dbraw/zinc/83/91/00/348839100.db2.gz XZILHPNKDIBEGL-SFHVURJKSA-N 0 0 278.355 3.044 10 30 CGEERN C[C@H]1CCC[C@@H](Nc2cnn(-c3ncccc3C#N)c2)C1 ZINC000186005201 138439092 /nfs/dbraw/zinc/43/90/92/138439092.db2.gz WAODLZIKMSJHRN-GXTWGEPZSA-N 0 0 281.363 3.130 10 30 CGEERN CC(C)(O)CSCCNc1cc(Cl)ccc1C#N ZINC000301290458 200966220 /nfs/dbraw/zinc/96/62/20/200966220.db2.gz TYXZBKXSMIDBLZ-UHFFFAOYSA-N 0 0 284.812 3.128 10 30 CGEERN Cc1cc(NCc2nc3ccccc3n2C)c(C#N)c(C)n1 ZINC000301771318 201186642 /nfs/dbraw/zinc/18/66/42/201186642.db2.gz JFMHEMZYBONZMS-UHFFFAOYSA-N 0 0 291.358 3.069 10 30 CGEERN Cc1cnn([C@H]2CCCN(Cc3ccc(F)c(C#N)c3)C2)c1 ZINC000120182318 370745776 /nfs/dbraw/zinc/74/57/76/370745776.db2.gz AXDZSTBXEPFYNX-INIZCTEOSA-N 0 0 298.365 3.039 10 30 CGEERN C#CCN(Cc1ccc(F)cc1)C(=O)[C@H]1C[C@@H]1c1ccco1 ZINC000121331507 370852208 /nfs/dbraw/zinc/85/22/08/370852208.db2.gz ZJAULVZOHMXETK-HOTGVXAUSA-N 0 0 297.329 3.184 10 30 CGEERN Cc1cccc([N-][NH+]=Cc2ccc(N3CCOCC3)cc2)c1 ZINC000004358717 368544654 /nfs/dbraw/zinc/54/46/54/368544654.db2.gz GRBLNIRFIZSGLQ-XMHGGMMESA-N 0 0 295.386 3.278 10 30 CGEERN C[C@@H](CC#N)C(=O)c1cccc(Br)c1 ZINC000033426672 368964856 /nfs/dbraw/zinc/96/48/56/368964856.db2.gz NBDKHEIKRPQQDR-QMMMGPOBSA-N 0 0 252.111 3.182 10 30 CGEERN CC#CCSc1ccc(Br)cc1N ZINC000051663953 369451729 /nfs/dbraw/zinc/45/17/29/369451729.db2.gz OHPSERKJXZRJOB-UHFFFAOYSA-N 0 0 256.168 3.147 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NCc1ccc2ncccc2c1 ZINC000069502086 369761849 /nfs/dbraw/zinc/76/18/49/369761849.db2.gz UZUGXROHVOOMEZ-LSDHHAIUSA-N 0 0 251.333 3.017 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NCc1ccc2ncccc2c1 ZINC000069502084 369762004 /nfs/dbraw/zinc/76/20/04/369762004.db2.gz UZUGXROHVOOMEZ-CABCVRRESA-N 0 0 251.333 3.017 10 30 CGEERN CC1=C(O)[C@H](Cc2ccc(Br)cc2)CC1=O ZINC000101995812 370298090 /nfs/dbraw/zinc/29/80/90/370298090.db2.gz BSSWDBBNKHUWDS-SNVBAGLBSA-N 0 0 281.149 3.413 10 30 CGEERN Cc1nc([C@H](C)Nc2ccc(C#N)cc2[N+](=O)[O-])cs1 ZINC000113427360 370474564 /nfs/dbraw/zinc/47/45/64/370474564.db2.gz YVWINRJWOGQHPW-QMMMGPOBSA-N 0 0 288.332 3.405 10 30 CGEERN C=CCCc1c(Br)cccc1C(=O)OC ZINC000113485341 370474713 /nfs/dbraw/zinc/47/47/13/370474713.db2.gz YGQFGQYLISNVGN-UHFFFAOYSA-N 0 0 269.138 3.354 10 30 CGEERN CC(C)[C@H](C)NC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000131486714 371110470 /nfs/dbraw/zinc/11/04/70/371110470.db2.gz RETWYNUUUWWYCP-ZFWWWQNUSA-N 0 0 273.380 3.375 10 30 CGEERN COC(=NC(=O)c1ccccc1C)N[C@H](C)c1ccccc1 ZINC000005074530 541848623 /nfs/dbraw/zinc/84/86/23/541848623.db2.gz DGDYRWJZBZVZCG-CQSZACIVSA-N 0 0 296.370 3.488 10 30 CGEERN COc1ccccc1CN(C)c1cc(C)nc(C)c1C#N ZINC000133749886 371277299 /nfs/dbraw/zinc/27/72/99/371277299.db2.gz SKOYCZRZDNWUKH-UHFFFAOYSA-N 0 0 281.359 3.215 10 30 CGEERN C[C@H]1CN(c2ccc(Cl)cc2C#N)CCS1 ZINC000135471981 371430664 /nfs/dbraw/zinc/43/06/64/371430664.db2.gz LLIWIVIDCYOXTJ-VIFPVBQESA-N 0 0 252.770 3.153 10 30 CGEERN C=C(C)CNC(=O)N[C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000156558250 371984444 /nfs/dbraw/zinc/98/44/44/371984444.db2.gz WVZLOOUWORLBRY-WFASDCNBSA-N 0 0 258.365 3.104 10 30 CGEERN COc1cc(Nc2cc(C)nc(C)c2C#N)ccc1F ZINC000160368177 372241000 /nfs/dbraw/zinc/24/10/00/372241000.db2.gz NFBBTKVRAFLZMH-UHFFFAOYSA-N 0 0 271.295 3.461 10 30 CGEERN CC(=O)/C=C/c1ccc2c(c1)C(=O)c1ccccc1CO2 ZINC000169318608 372629237 /nfs/dbraw/zinc/62/92/37/372629237.db2.gz PVVGBHRSAFDESH-VOTSOKGWSA-N 0 0 278.307 3.412 10 30 CGEERN C=CCCCN(C)C(=O)N[C@H](C)c1cccs1 ZINC000172347259 372946082 /nfs/dbraw/zinc/94/60/82/372946082.db2.gz BHDFAEAYABJMFK-LLVKDONJSA-N 0 0 252.383 3.417 10 30 CGEERN CC(C)n1ccnc1C[S@@](=O)CCCC(C)(C)C#N ZINC000176894434 373638287 /nfs/dbraw/zinc/63/82/87/373638287.db2.gz ANWHJZIXXXEXCU-IBGZPJMESA-N 0 0 281.425 3.043 10 30 CGEERN N#Cc1cc(Cl)ccc1N1CCC[C@@H](n2cccn2)C1 ZINC000301179407 373684688 /nfs/dbraw/zinc/68/46/88/373684688.db2.gz HFNQCXKKFUUKFL-CQSZACIVSA-N 0 0 286.766 3.250 10 30 CGEERN C=C(C)COCCNc1nn2cc(C(C)(C)C)nc2s1 ZINC000301687966 373797677 /nfs/dbraw/zinc/79/76/77/373797677.db2.gz WHMDYRVMKPQBRC-UHFFFAOYSA-N 0 0 294.424 3.093 10 30 CGEERN Cc1cc(Oc2ccc3c(c2)CCC3=O)c(C#N)c(C)n1 ZINC000302543003 373892954 /nfs/dbraw/zinc/89/29/54/373892954.db2.gz OJAVHVFSKGPMDJ-UHFFFAOYSA-N 0 0 278.311 3.491 10 30 CGEERN C=CCCC[C@H](C)NC(=O)[C@H](NC(=O)CC(C)C)C(C)C ZINC000182594990 374295997 /nfs/dbraw/zinc/29/59/97/374295997.db2.gz QFIBYODDUOFDNR-GOEBONIOSA-N 0 0 296.455 3.034 10 30 CGEERN O=C(C[C@@H]1CCCCC(=O)N1)NC[C@H](O)C1CCCCC1 ZINC000328684708 374377289 /nfs/dbraw/zinc/37/72/89/374377289.db2.gz WZFVMZWTIYSZQO-KBPBESRZSA-N 0 0 296.411 3.173 10 30 CGEERN CCC1CCN(C(=O)N[C@H]2CCC(=O)NC23CCC3)CC1 ZINC000328732879 374379043 /nfs/dbraw/zinc/37/90/43/374379043.db2.gz HJZAYDICFMHITM-ZDUSSCGKSA-N 0 0 293.411 3.064 10 30 CGEERN N#Cc1cc(Cl)ccc1CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000186682507 374898669 /nfs/dbraw/zinc/89/86/69/374898669.db2.gz VKGBQPFDLCFZGO-JKSUJKDBSA-N 0 0 290.794 3.355 10 30 CGEERN Cc1cc(C)c2c(c1)C(=O)/C(=C\c1cc(C#N)n(C)c1)CO2 ZINC000191276493 375603775 /nfs/dbraw/zinc/60/37/75/375603775.db2.gz NBGWLUHRKRZLNN-NSIKDUERSA-N 0 0 292.338 3.172 10 30 CGEERN CCc1ccc(NC(=O)[C@H]2CCCO[C@@H]2CC)c(C#N)c1 ZINC000521394043 375873686 /nfs/dbraw/zinc/87/36/86/375873686.db2.gz SKNUKRCXNCJSMC-GOEBONIOSA-N 0 0 286.375 3.264 10 30 CGEERN COC(=O)CCCCCCCC#CBr ZINC000223327413 376252250 /nfs/dbraw/zinc/25/22/50/376252250.db2.gz JWPMPLMHQNGCDV-UHFFFAOYSA-N 0 0 261.159 3.246 10 30 CGEERN C[C@H](N[C@H]1CCC[C@H]1C#N)c1cc(F)ccc1F ZINC000252440433 377622416 /nfs/dbraw/zinc/62/24/16/377622416.db2.gz HFUSOIQUHGGTPN-BHDSKKPTSA-N 0 0 250.292 3.308 10 30 CGEERN CSc1ccc(C=Nc2cccc(C(N)=O)c2)cc1 ZINC000254616754 377711317 /nfs/dbraw/zinc/71/13/17/377711317.db2.gz KMWHOKOEQSYKDS-UHFFFAOYSA-N 0 0 270.357 3.258 10 30 CGEERN COc1cc(C(=O)C(F)(F)C(F)(F)F)cc(F)c1F ZINC000575242861 377763985 /nfs/dbraw/zinc/76/39/85/377763985.db2.gz RESLTXAHCZRKLF-UHFFFAOYSA-N 0 0 290.134 3.354 10 30 CGEERN COC(=O)Cc1c(SC(F)(F)F)ccc(F)c1C#N ZINC000575390658 377898249 /nfs/dbraw/zinc/89/82/49/377898249.db2.gz LVIIKLXEDCLQFK-UHFFFAOYSA-N 0 0 293.241 3.025 10 30 CGEERN OCc1c(C(F)(F)F)cc(F)cc1C(F)(F)F ZINC000575339759 377881044 /nfs/dbraw/zinc/88/10/44/377881044.db2.gz PUPYKMAPIZGVIW-UHFFFAOYSA-N 0 0 262.124 3.356 10 30 CGEERN OCc1cc(C(F)(F)F)c(F)c(C(F)(F)F)c1 ZINC000575339926 377881186 /nfs/dbraw/zinc/88/11/86/377881186.db2.gz XWGCYTOYXPILDY-UHFFFAOYSA-N 0 0 262.124 3.356 10 30 CGEERN COC(=O)c1c(OC(F)(F)F)cc(C#N)cc1C(F)F ZINC000575343706 377883567 /nfs/dbraw/zinc/88/35/67/377883567.db2.gz CIQRXJMAFANAOG-UHFFFAOYSA-N 0 0 295.163 3.181 10 30 CGEERN COC(=O)c1cc(C(F)F)c(C#N)c(C(F)(F)F)c1 ZINC000575344159 377883933 /nfs/dbraw/zinc/88/39/33/377883933.db2.gz RKHIHTAYNQNIAJ-UHFFFAOYSA-N 0 0 279.164 3.301 10 30 CGEERN COC(=O)c1cc(OC(F)(F)F)cc(C#N)c1C(F)F ZINC000575344187 377883995 /nfs/dbraw/zinc/88/39/95/377883995.db2.gz UEJWAPSJCLSSJS-UHFFFAOYSA-N 0 0 295.163 3.181 10 30 CGEERN CCOC(=O)Cc1cc(C#N)c(C(F)(F)F)cc1CC ZINC000575390197 377898922 /nfs/dbraw/zinc/89/89/22/377898922.db2.gz ZZTLPVJKYWACOW-UHFFFAOYSA-N 0 0 285.265 3.245 10 30 CGEERN CCOC(=O)c1c(CC)ccc(C#N)c1C(F)(F)F ZINC000575390162 377898930 /nfs/dbraw/zinc/89/89/30/377898930.db2.gz XQHOPDOKTSOPNY-UHFFFAOYSA-N 0 0 271.238 3.316 10 30 CGEERN CCOC(=O)c1cc(C#N)c(OC(F)(F)F)cc1Cl ZINC000575382951 377893561 /nfs/dbraw/zinc/89/35/61/377893561.db2.gz XERPNTCUNAIWHX-UHFFFAOYSA-N 0 0 293.628 3.287 10 30 CGEERN CCOC(=O)Cc1ccc(Cl)c(C(F)(F)F)c1C#N ZINC000575383066 377893961 /nfs/dbraw/zinc/89/39/61/377893961.db2.gz DVSQGQMOMRUMHU-UHFFFAOYSA-N 0 0 291.656 3.336 10 30 CGEERN CCOC(=O)Cc1cc(C(F)(F)F)cc(Cl)c1C#N ZINC000575383529 377894648 /nfs/dbraw/zinc/89/46/48/377894648.db2.gz YRHXPKMRKWLPRI-UHFFFAOYSA-N 0 0 291.656 3.336 10 30 CGEERN CCOC(=O)c1cc(OC(F)(F)F)cc(CC)c1C#N ZINC000575389065 377896250 /nfs/dbraw/zinc/89/62/50/377896250.db2.gz UZTRJEVMPYBMJK-UHFFFAOYSA-N 0 0 287.237 3.196 10 30 CGEERN O=C1C=CO[C@@H](c2ccsc2Br)C1 ZINC000575590942 377919140 /nfs/dbraw/zinc/91/91/40/377919140.db2.gz IISJDRQBKZBYEG-MRVPVSSYSA-N 0 0 259.124 3.055 10 30 CGEERN CCc1cc(I)cc(CC)c1C#N ZINC000575652213 377929538 /nfs/dbraw/zinc/92/95/38/377929538.db2.gz NDJVDKKGHSCAHW-UHFFFAOYSA-N 0 0 285.128 3.288 10 30 CGEERN COc1cc(CC#N)c(OC(F)F)cc1C(F)F ZINC000575652171 377929703 /nfs/dbraw/zinc/92/97/03/377929703.db2.gz LFRIOLOTFDDILM-UHFFFAOYSA-N 0 0 263.190 3.300 10 30 CGEERN COc1cc(CC#N)cc(C(F)F)c1OC(F)F ZINC000575651970 377929728 /nfs/dbraw/zinc/92/97/28/377929728.db2.gz IDDXKZHFZDWNPW-UHFFFAOYSA-N 0 0 263.190 3.300 10 30 CGEERN COc1c(CC#N)cc(OC(F)F)cc1C(F)F ZINC000575652872 377930843 /nfs/dbraw/zinc/93/08/43/377930843.db2.gz WWRRRRLVTSWXAN-UHFFFAOYSA-N 0 0 263.190 3.300 10 30 CGEERN N#CCc1cc(OC(F)F)cc(O)c1C(F)(F)F ZINC000575662403 377938490 /nfs/dbraw/zinc/93/84/90/377938490.db2.gz ZFQLAWXODXZVIQ-UHFFFAOYSA-N 0 0 267.153 3.078 10 30 CGEERN Cc1ccc(OC(F)F)c(C(F)(F)F)c1C#N ZINC000575664754 377940631 /nfs/dbraw/zinc/94/06/31/377940631.db2.gz LPJZODNERRMGGA-UHFFFAOYSA-N 0 0 251.154 3.487 10 30 CGEERN Cc1cc(OC(F)F)c(C(F)(F)F)cc1C#N ZINC000575664576 377940890 /nfs/dbraw/zinc/94/08/90/377940890.db2.gz IMOBOLCUKQMICW-UHFFFAOYSA-N 0 0 251.154 3.487 10 30 CGEERN N#Cc1cc(OC(F)F)cc(C(F)(F)F)c1[N+](=O)[O-] ZINC000575665115 377941798 /nfs/dbraw/zinc/94/17/98/377941798.db2.gz BJDIHSIRWVKFHC-UHFFFAOYSA-N 0 0 282.124 3.087 10 30 CGEERN N#Cc1c(OC(F)F)cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575665407 377941808 /nfs/dbraw/zinc/94/18/08/377941808.db2.gz DSUUDBMTZRVXSQ-UHFFFAOYSA-N 0 0 282.124 3.087 10 30 CGEERN COc1ccc(OC(F)F)c(CC#N)c1C(F)(F)F ZINC000575666623 377944044 /nfs/dbraw/zinc/94/40/44/377944044.db2.gz XBRVOKSNBWSLHB-UHFFFAOYSA-N 0 0 281.180 3.381 10 30 CGEERN COc1ccc(OC(F)F)c(C(F)(F)F)c1CC#N ZINC000575666660 377944342 /nfs/dbraw/zinc/94/43/42/377944342.db2.gz YCGIFGUXLHKPHX-UHFFFAOYSA-N 0 0 281.180 3.381 10 30 CGEERN N#Cc1cc([N+](=O)[O-])cc(OC(F)F)c1C(F)(F)F ZINC000575667468 377944959 /nfs/dbraw/zinc/94/49/59/377944959.db2.gz QDSAOZBCRVXLOQ-UHFFFAOYSA-N 0 0 282.124 3.087 10 30 CGEERN COc1c(OC(F)F)ccc(Br)c1CC#N ZINC000575682851 377956879 /nfs/dbraw/zinc/95/68/79/377956879.db2.gz DCDOMYMGNBGBBI-UHFFFAOYSA-N 0 0 292.079 3.125 10 30 CGEERN N#Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1OC(F)F ZINC000575667405 377945492 /nfs/dbraw/zinc/94/54/92/377945492.db2.gz PXWKSEWZAYLSMH-UHFFFAOYSA-N 0 0 282.124 3.087 10 30 CGEERN N#CCc1cc(OC(F)F)c(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000575668581 377946537 /nfs/dbraw/zinc/94/65/37/377946537.db2.gz VTUBBJVZZRFJJR-UHFFFAOYSA-N 0 0 296.151 3.281 10 30 CGEERN CCOC(=O)c1c(C#N)cc(C(F)(F)F)cc1OCC ZINC000575670099 377947770 /nfs/dbraw/zinc/94/77/70/377947770.db2.gz DTHDEIHUQPMMJO-UHFFFAOYSA-N 0 0 287.237 3.152 10 30 CGEERN COc1cc(Cl)c(Br)c(CC#N)c1 ZINC000575674279 377949563 /nfs/dbraw/zinc/94/95/63/377949563.db2.gz QRORVAUUMCGYRT-UHFFFAOYSA-N 0 0 260.518 3.177 10 30 CGEERN COc1ccc(CC#N)c(Cl)c1Br ZINC000575673882 377949747 /nfs/dbraw/zinc/94/97/47/377949747.db2.gz HZBJDZRVQQALFE-UHFFFAOYSA-N 0 0 260.518 3.177 10 30 CGEERN N#CCc1c(Cl)ccc(Br)c1[N+](=O)[O-] ZINC000575677004 377951780 /nfs/dbraw/zinc/95/17/80/377951780.db2.gz GMAPCEZTSLQTKF-UHFFFAOYSA-N 0 0 275.489 3.077 10 30 CGEERN N#CCc1c(Br)ccc(F)c1OC(F)F ZINC000575680234 377953727 /nfs/dbraw/zinc/95/37/27/377953727.db2.gz KNARKNJCAVSUCN-UHFFFAOYSA-N 0 0 280.043 3.256 10 30 CGEERN Cc1c(C#N)ccc(Br)c1OC(F)F ZINC000575683562 377957750 /nfs/dbraw/zinc/95/77/50/377957750.db2.gz QNHNKSSXJFHELO-UHFFFAOYSA-N 0 0 262.053 3.231 10 30 CGEERN N#Cc1cc([N+](=O)[O-])c(C(F)(F)F)cc1Cl ZINC000575695776 377969461 /nfs/dbraw/zinc/96/94/61/377969461.db2.gz SRAUXVGGJMPOLW-UHFFFAOYSA-N 0 0 250.563 3.139 10 30 CGEERN CCc1c(OC)ccc(OC(F)(F)F)c1CC#N ZINC000575704169 377976920 /nfs/dbraw/zinc/97/69/20/377976920.db2.gz UBTZEGSMDQICQJ-UHFFFAOYSA-N 0 0 259.227 3.222 10 30 CGEERN Oc1ccc(C(F)(F)F)c(OC(F)(F)F)c1F ZINC000575705233 377978145 /nfs/dbraw/zinc/97/81/45/377978145.db2.gz VAFCILFYWFVNKA-UHFFFAOYSA-N 0 0 264.096 3.449 10 30 CGEERN Cn1cc([C@H]2CCCN2c2ccc(Cl)cc2C#N)cn1 ZINC000266442531 378022057 /nfs/dbraw/zinc/02/20/57/378022057.db2.gz WJIKAAJIDAIEPP-CQSZACIVSA-N 0 0 286.766 3.287 10 30 CGEERN N#CC1(C(=O)N2C[C@H]3CCCCC[C@@H]32)CCCCC1 ZINC000375851103 379514451 /nfs/dbraw/zinc/51/44/51/379514451.db2.gz UALIFDJYTRDCQD-KGLIPLIRSA-N 0 0 260.381 3.252 10 30 CGEERN Cc1cc(C#N)cc(N2CCC[C@@H](c3nccs3)C2)n1 ZINC000376560625 379579384 /nfs/dbraw/zinc/57/93/84/379579384.db2.gz GWZNXOIBPRBMDJ-CYBMUJFWSA-N 0 0 284.388 3.102 10 30 CGEERN O=C(Nc1scnc1C1CC1)N[C@@H]1CCCCC[C@H]1O ZINC000329229268 227366417 /nfs/dbraw/zinc/36/64/17/227366417.db2.gz CLGBRKSQEDMYFH-GHMZBOCLSA-N 0 0 295.408 3.040 10 30 CGEERN O=C(Nc1cnn(-c2ccccc2)c1)N1CC[C@H]2CCC[C@H]21 ZINC000330244140 285231165 /nfs/dbraw/zinc/23/11/65/285231165.db2.gz KDCXUKYGHAHOOA-CZUORRHYSA-N 0 0 296.374 3.292 10 30 CGEERN C[C@H](C[C@H]1CCCO1)NC(=O)Cc1noc2ccccc12 ZINC000328702576 542444345 /nfs/dbraw/zinc/44/43/45/542444345.db2.gz NVRPZOJHLOYCIK-VXGBXAGGSA-N 0 0 288.347 3.284 10 30 CGEERN O=C(Nc1cc2c(cc1Cl)OCO2)N1C[C@@H]2CCC[C@@H]21 ZINC000328891592 542444967 /nfs/dbraw/zinc/44/49/67/542444967.db2.gz SRWWQWBZHLHDDB-KWQFWETISA-N 0 0 294.738 3.099 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1coc(C2CCCC2)n1 ZINC000328783710 542445455 /nfs/dbraw/zinc/44/54/55/542445455.db2.gz VKDYPBJUVWKETJ-NWDGAFQWSA-N 0 0 273.336 3.329 10 30 CGEERN Cc1cnc([C@H](C)NC(=O)N2CCc3ccsc3C2)o1 ZINC000329426768 542446912 /nfs/dbraw/zinc/44/69/12/542446912.db2.gz JADRXCHFBRWUOD-JTQLQIEISA-N 0 0 291.376 3.078 10 30 CGEERN O=C(NC[C@@H]1CCC[C@@H]1O)N[C@H]1CCCCC12CCCC2 ZINC000329823412 542449526 /nfs/dbraw/zinc/44/95/26/542449526.db2.gz QFIINAQTQFDLTF-KKUMJFAQSA-N 0 0 294.439 3.154 10 30 CGEERN COc1ccc(C(=O)NC2CC(C)C2)cc1-c1ccn(C)n1 ZINC000329084514 533223453 /nfs/dbraw/zinc/22/34/53/533223453.db2.gz FTYMZWOLGZKKRU-UHFFFAOYSA-N 0 0 299.374 3.199 10 30 CGEERN C=C(C)CS(=O)(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000189762389 130020326 /nfs/dbraw/zinc/02/03/26/130020326.db2.gz JNUSBKIMVABYIF-SWLSCSKDSA-N 0 0 279.405 3.121 10 30 CGEERN C[C@@H](Nc1ccc(C#N)cc1)c1cn(-c2ccccc2)nn1 ZINC000153335383 392514666 /nfs/dbraw/zinc/51/46/66/392514666.db2.gz YBBOXZHJWABGAI-CYBMUJFWSA-N 0 0 289.342 3.312 10 30 CGEERN Cc1cc(C#N)ccc1C(=O)N[C@H]1CCOc2ccccc21 ZINC000178554014 392680462 /nfs/dbraw/zinc/68/04/62/392680462.db2.gz LIZUKDJSENAAHV-INIZCTEOSA-N 0 0 292.338 3.120 10 30 CGEERN O=C(Nc1cnc(-c2ccccc2)nc1)N1C[C@@H]2CCC[C@H]21 ZINC000329466283 392682054 /nfs/dbraw/zinc/68/20/54/392682054.db2.gz VNXCKBNKOAOQPE-DZGCQCFKSA-N 0 0 294.358 3.173 10 30 CGEERN C#C[C@](C)(CC)Oc1ncc(C)cc1Br ZINC000307361314 392649805 /nfs/dbraw/zinc/64/98/05/392649805.db2.gz HFQUPXIVURTKTO-GFCCVEGCSA-N 0 0 268.154 3.333 10 30 CGEERN N#C[C@H]1CCC[C@H]1Nc1ncnc2sc3c(c21)CCC3 ZINC000408330160 392971765 /nfs/dbraw/zinc/97/17/65/392971765.db2.gz QLSNFASTDURSTD-MWLCHTKSSA-N 0 0 284.388 3.284 10 30 CGEERN CC(C)(C)Cc1noc(Cc2ccc(C#N)cc2)n1 ZINC000230998278 393025282 /nfs/dbraw/zinc/02/52/82/393025282.db2.gz CERMWAXUNWXEBV-UHFFFAOYSA-N 0 0 255.321 3.121 10 30 CGEERN Cc1nn(C[C@@H]2C[C@@H]2c2ccccc2)c(C)c1C#N ZINC000575602632 393201810 /nfs/dbraw/zinc/20/18/10/393201810.db2.gz RGCVVAITUNPWAJ-LSDHHAIUSA-N 0 0 251.333 3.175 10 30 CGEERN Cc1ccc(C#N)c(N2CCc3sccc3[C@@H]2C)n1 ZINC000043399872 292044820 /nfs/dbraw/zinc/04/48/20/292044820.db2.gz AVYJHWAJCAFJHV-NSHDSACASA-N 0 0 269.373 3.447 10 30 CGEERN N#CCCCSc1nnc(-c2ccc3nc[nH]c3c2)o1 ZINC000006813655 170245906 /nfs/dbraw/zinc/24/59/06/170245906.db2.gz SKDVKVNKJSGCRQ-UHFFFAOYSA-N 0 0 285.332 3.009 10 30 CGEERN CC(C)c1cc(Br)ccc1OCC#N ZINC000011834433 170445655 /nfs/dbraw/zinc/44/56/55/170445655.db2.gz UYISAGLDUKRTCD-UHFFFAOYSA-N 0 0 254.127 3.475 10 30 CGEERN C=CCOc1cccc(NC(=S)NC(=O)CCCC)c1 ZINC000014783829 170645302 /nfs/dbraw/zinc/64/53/02/170645302.db2.gz DNHVAGIEJFJJON-UHFFFAOYSA-N 0 0 292.404 3.255 10 30 CGEERN CCC(C)(C)OCCC(=O)Nc1ccccc1C#N ZINC000020514764 171231948 /nfs/dbraw/zinc/23/19/48/171231948.db2.gz ATKRGUDEFXSUDD-UHFFFAOYSA-N 0 0 260.337 3.092 10 30 CGEERN C=CCn1c(SCC(C)C)nnc1C(F)(F)F ZINC000020839930 171275417 /nfs/dbraw/zinc/27/54/17/171275417.db2.gz XALJZGLBFJXTLX-UHFFFAOYSA-N 0 0 265.304 3.231 10 30 CGEERN Brc1ncccc1C=NNc1ccccc1 ZINC000021988212 171345494 /nfs/dbraw/zinc/34/54/94/171345494.db2.gz YVGUPCSPANKXLD-OQLLNIDSSA-N 0 0 276.137 3.290 10 30 CGEERN CN(C)/C=C1\C(=O)c2ccccc2O[C@H]1c1ccccc1 ZINC000026017175 171470976 /nfs/dbraw/zinc/47/09/76/171470976.db2.gz HDQCRRRATSBPDK-XOVFHRFOSA-N 0 0 279.339 3.449 10 30 CGEERN C/C(=N/NC(=S)Nc1c(C)cccc1C)c1ccccn1 ZINC000033842125 171822732 /nfs/dbraw/zinc/82/27/32/171822732.db2.gz IZNZDYSGZZALCY-UYRXBGFRSA-N 0 0 298.415 3.409 10 30 CGEERN C=C(C)C(=O)NCCCc1nc2ccccc2n1CCC ZINC000035144777 172009646 /nfs/dbraw/zinc/00/96/46/172009646.db2.gz DHROMWKILPAVCB-UHFFFAOYSA-N 0 0 285.391 3.071 10 30 CGEERN C[C@@H](O)c1ccc(OCc2ccc(C#N)cc2)cc1 ZINC000035188712 172043582 /nfs/dbraw/zinc/04/35/82/172043582.db2.gz LZKVAYWCVDJCBC-GFCCVEGCSA-N 0 0 253.301 3.191 10 30 CGEERN COc1ccc(NC2=NC[C@@H](C)S2)cc1Cl ZINC000035294421 172106071 /nfs/dbraw/zinc/10/60/71/172106071.db2.gz YQRAKTFPLBAXKT-SSDOTTSWSA-N 0 0 256.758 3.061 10 30 CGEERN C=CCNC(=O)/C=C\c1ccc(Cl)cc1Cl ZINC000035400417 172176772 /nfs/dbraw/zinc/17/67/72/172176772.db2.gz OGOOGUMAYDSYBD-XQRVVYSFSA-N 0 0 256.132 3.309 10 30 CGEERN COc1ccc2ccccc2c1[C@@H](C#N)NC(C)C ZINC000037290121 173095453 /nfs/dbraw/zinc/09/54/53/173095453.db2.gz WSGLHUFVDACJKV-CQSZACIVSA-N 0 0 254.333 3.411 10 30 CGEERN CC(C)CN[C@H](C#N)c1ccccc1OC(F)(F)F ZINC000037939165 173879071 /nfs/dbraw/zinc/87/90/71/173879071.db2.gz XJJJPJCDKMSZFP-LLVKDONJSA-N 0 0 272.270 3.395 10 30 CGEERN N#C[C@H](c1c(F)cccc1F)N1CCCCCC1 ZINC000038086113 174096768 /nfs/dbraw/zinc/09/67/68/174096768.db2.gz PXHYTEOLGPNCCA-CYBMUJFWSA-N 0 0 250.292 3.405 10 30 CGEERN N#C[C@@H](c1c(F)cccc1F)N1CCCCCC1 ZINC000038086114 174096988 /nfs/dbraw/zinc/09/69/88/174096988.db2.gz PXHYTEOLGPNCCA-ZDUSSCGKSA-N 0 0 250.292 3.405 10 30 CGEERN N#Cc1c(Br)nsc1-c1ccccc1 ZINC000038294863 174138801 /nfs/dbraw/zinc/13/88/01/174138801.db2.gz BOQCYCFKZKYPBH-UHFFFAOYSA-N 0 0 265.135 3.444 10 30 CGEERN CCOc1cc2ncc(C#N)c(Cl)c2cc1OC ZINC000039022641 174160966 /nfs/dbraw/zinc/16/09/66/174160966.db2.gz QYYNVWZMCITGFR-UHFFFAOYSA-N 0 0 262.696 3.167 10 30 CGEERN N#C[C@@H](NC(=O)Nc1ccccc1)C1CCCCC1 ZINC000040220674 174206949 /nfs/dbraw/zinc/20/69/49/174206949.db2.gz KROTYYRXOLSQON-CQSZACIVSA-N 0 0 257.337 3.281 10 30 CGEERN Cc1ccoc1C(=O)NC1(C#N)CCCCCCC1 ZINC000040222133 174207709 /nfs/dbraw/zinc/20/77/09/174207709.db2.gz UXJMXVROQHKEJQ-UHFFFAOYSA-N 0 0 260.337 3.325 10 30 CGEERN C=CCNc1ncnc(Nc2cccc(Cl)c2C)c1N ZINC000040701490 174378905 /nfs/dbraw/zinc/37/89/05/174378905.db2.gz HLLQGQOCRCAOLM-UHFFFAOYSA-N 0 0 289.770 3.362 10 30 CGEERN C[C@@H](Nc1cnc(C#N)cn1)c1ccc(Cl)s1 ZINC000071177953 176055507 /nfs/dbraw/zinc/05/55/07/176055507.db2.gz LKQFYXBVHXATHJ-SSDOTTSWSA-N 0 0 264.741 3.236 10 30 CGEERN Cc1ccc(/C(N)=N/O)c(Oc2ccc(F)c(Cl)c2)n1 ZINC000072186563 176335957 /nfs/dbraw/zinc/33/59/57/176335957.db2.gz PEBXVJQMQGGGGX-UHFFFAOYSA-N 0 0 295.701 3.069 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1cc(F)c(F)cc1Cl ZINC000335295880 226236888 /nfs/dbraw/zinc/23/68/88/226236888.db2.gz ADGZOVPZNMCUIL-KRTXAFLBSA-N 0 0 284.693 3.040 10 30 CGEERN COc1ccc(CN=Nc2nc(C)c(C)s2)cc1 ZINC000017198642 227326570 /nfs/dbraw/zinc/32/65/70/227326570.db2.gz XTOXUXVZZDMFQW-RIYZIHGNSA-N 0 0 261.350 3.215 10 30 CGEERN Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)Cc2cc[nH]n2)cc1 ZINC000329950791 227995548 /nfs/dbraw/zinc/99/55/48/227995548.db2.gz MAEBPENLDUIVOP-WBVHZDCISA-N 0 0 299.374 3.137 10 30 CGEERN Cc1cnc([C@@H](C)NC(=O)c2oc(CC3CC3)nc2C)o1 ZINC000330015041 228017346 /nfs/dbraw/zinc/01/73/46/228017346.db2.gz NMIVZBFQSDQIGG-SNVBAGLBSA-N 0 0 289.335 3.298 10 30 CGEERN Cc1ncc(NC(=O)[C@H]2CCO[C@@H]2c2cccnc2)s1 ZINC000330045922 228025771 /nfs/dbraw/zinc/02/57/71/228025771.db2.gz GOVXXXWYEVGKJW-WCQYABFASA-N 0 0 289.360 3.212 10 30 CGEERN CC1(C)CCC[C@H](CC(=O)N[C@H]2CCC[C@H]2C#N)C1 ZINC000407995400 260159846 /nfs/dbraw/zinc/15/98/46/260159846.db2.gz IZSUFPGNVLSWLV-RDBSUJKOSA-N 0 0 262.397 3.401 10 30 CGEERN CC[C@H](CC#N)NC(=O)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000183876555 262049519 /nfs/dbraw/zinc/04/95/19/262049519.db2.gz KKYJITUPWCBQGN-RWMBFGLXSA-N 0 0 250.386 3.257 10 30 CGEERN N#CCCN(CC1CC1)C(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000163825014 263261208 /nfs/dbraw/zinc/26/12/08/263261208.db2.gz SVJRQFATAXOERJ-JKSUJKDBSA-N 0 0 274.408 3.355 10 30 CGEERN Cc1ncsc1CNC(=O)C[C@@H]1CCCCC(=O)N1 ZINC000328686264 263843074 /nfs/dbraw/zinc/84/30/74/263843074.db2.gz YDDZQOBQZCHAGU-JTQLQIEISA-N 0 0 281.381 3.197 10 30 CGEERN C[C@@H]1C[C@H](C(=O)NC2(C#N)CCCC2)CC(C)(C)C1 ZINC000182625202 265973776 /nfs/dbraw/zinc/97/37/76/265973776.db2.gz XAIZZSNUWLVUMT-OLZOCXBDSA-N 0 0 262.397 3.401 10 30 CGEERN C[C@@H]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)c2ccccc21 ZINC000125006800 278586383 /nfs/dbraw/zinc/58/63/83/278586383.db2.gz NUFAQCUECOBRBN-IAQYHMDHSA-N 0 0 279.343 3.255 10 30 CGEERN C[C@@H]1c2ccsc2CCN1c1cccc(C#N)n1 ZINC000081618678 279144133 /nfs/dbraw/zinc/14/41/33/279144133.db2.gz NGOIWBLKCSYOJS-SNVBAGLBSA-N 0 0 255.346 3.138 10 30 CGEERN C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1sccc1C#N ZINC000117569342 280130378 /nfs/dbraw/zinc/13/03/78/280130378.db2.gz LMDMVUYUHADZCI-TVQRCGJNSA-N 0 0 284.340 3.123 10 30 CGEERN Cc1cc(C)c2ncc(C#N)c(N[C@H]3CCO[C@@H]3C)c2c1 ZINC000301853166 280412461 /nfs/dbraw/zinc/41/24/61/280412461.db2.gz ACKZWBQAILELBH-DOMZBBRYSA-N 0 0 281.359 3.313 10 30 CGEERN Cc1cc(N2CCc3ccccc3C2)c(C#N)c(C)n1 ZINC000133746724 280581074 /nfs/dbraw/zinc/58/10/74/280581074.db2.gz FRBRUMIILFLWLH-UHFFFAOYSA-N 0 0 263.344 3.133 10 30 CGEERN C[C@@H]1[C@H](C)SCCN1c1ccc(F)cc1C#N ZINC000078292228 289027839 /nfs/dbraw/zinc/02/78/39/289027839.db2.gz DBEMMAWGZVRVBK-ZJUUUORDSA-N 0 0 250.342 3.028 10 30 CGEERN N#Cc1nc2ccccc2cc1N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000334055608 295000085 /nfs/dbraw/zinc/00/00/85/295000085.db2.gz UYWOMNRTZUOFAW-SIIHOXLZSA-N 0 0 293.370 3.476 10 30 CGEERN O/N=C\[C@@]1(c2nccc3ccccc32)C=CC=CC1 ZINC000090741623 295390782 /nfs/dbraw/zinc/39/07/82/295390782.db2.gz JZBXIZFZADYXNF-UWCCDQBKSA-N 0 0 250.301 3.449 10 30 CGEERN C[C@@H]1OCC[C@@H]1NC(=O)N[C@H]1CCCCC12CCCC2 ZINC000329601378 297583592 /nfs/dbraw/zinc/58/35/92/297583592.db2.gz FFXPEEXPJXVZLB-IHRRRGAJSA-N 0 0 280.412 3.170 10 30 CGEERN CC(C)(C)OC(=O)N1C[C@H](C=O)C[C@@H]1c1ccccc1 ZINC000095764191 327203146 /nfs/dbraw/zinc/20/31/46/327203146.db2.gz CAVGRVQPQJPMGF-TZMCWYRMSA-N 0 0 275.348 3.184 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NCc1ccc(C(F)F)cc1 ZINC000150142710 327208432 /nfs/dbraw/zinc/20/84/32/327208432.db2.gz UWRAYWBOVIFHHX-OLZOCXBDSA-N 0 0 250.292 3.406 10 30 CGEERN N#CC1(C(=O)N[C@H]2CCOc3ccccc32)CCCCC1 ZINC000049081229 327281717 /nfs/dbraw/zinc/28/17/17/327281717.db2.gz SNPKRVOBZFURKB-AWEZNQCLSA-N 0 0 284.359 3.100 10 30 CGEERN C=CCCO[C@H](C)C(=O)N[C@H]1c2cc(C)ccc2C[C@H]1C ZINC000182188717 329240514 /nfs/dbraw/zinc/24/05/14/329240514.db2.gz NWQVVRSYTNAFEO-CKEIUWERSA-N 0 0 287.403 3.326 10 30 CGEERN C[C@H](C#N)CN[C@H]1CCc2c1cccc2Br ZINC000235126921 329434923 /nfs/dbraw/zinc/43/49/23/329434923.db2.gz RYZQMFFCMOJDNX-RNCFNFMXSA-N 0 0 279.181 3.186 10 30 CGEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](CCC)C(=O)OC(C)(C)C ZINC000186065992 333154317 /nfs/dbraw/zinc/15/43/17/333154317.db2.gz QNFLITNBNPXJMC-OLZOCXBDSA-N 0 0 283.412 3.215 10 30 CGEERN C[C@@H](C(=O)N[C@]1(C#N)CCC[C@@H](C)C1)c1cccs1 ZINC000247170762 334276966 /nfs/dbraw/zinc/27/69/66/334276966.db2.gz UBLBHSVAUWZPOA-LALPHHSUSA-N 0 0 276.405 3.440 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000250680921 334348484 /nfs/dbraw/zinc/34/84/84/334348484.db2.gz YLCUGOUPTZVVDS-BJDJZHNGSA-N 0 0 288.313 3.164 10 30 CGEERN C[C@@H]1C[C@@H](C(=O)NC2(C#N)CCSCC2)CC(C)(C)C1 ZINC000181260983 335756241 /nfs/dbraw/zinc/75/62/41/335756241.db2.gz PPLRPUABZYKKFM-CHWSQXEVSA-N 0 0 294.464 3.354 10 30 CGEERN C[C@H]1C[C@H](C(=O)NC2(C#N)CCSCC2)CC(C)(C)C1 ZINC000181260969 335756255 /nfs/dbraw/zinc/75/62/55/335756255.db2.gz PPLRPUABZYKKFM-STQMWFEESA-N 0 0 294.464 3.354 10 30 CGEERN C[C@H](CC1CCCCC1)NC(=O)N1CCCNC(=O)[C@H]1C ZINC000330234330 533772873 /nfs/dbraw/zinc/77/28/73/533772873.db2.gz SMURKUZBXABHSS-CHWSQXEVSA-N 0 0 295.427 3.310 10 30 CGEERN CSc1ccc(C)c(C(=O)N[C@H]2CCC[C@@H]2C#N)c1 ZINC000335754771 534190774 /nfs/dbraw/zinc/19/07/74/534190774.db2.gz QEILARWSDDAZOX-RISCZKNCSA-N 0 0 274.389 3.139 10 30 CGEERN CCCCCCCCNc1ccc(S(N)(=O)=O)cc1 ZINC000059090540 520039810 /nfs/dbraw/zinc/03/98/10/520039810.db2.gz KCJGNILIHFOJJN-UHFFFAOYSA-N 0 0 284.425 3.106 10 30 CGEERN CCN[C@H](C#N)CCOc1cc(C)ccc1C(C)C ZINC000062445980 520162259 /nfs/dbraw/zinc/16/22/59/520162259.db2.gz CNGAQLQBKFKBSH-AWEZNQCLSA-N 0 0 260.381 3.389 10 30 CGEERN CCCCCOc1cc(Cl)ccc1/C(N)=N/O ZINC000062789682 520247505 /nfs/dbraw/zinc/24/75/05/520247505.db2.gz YZTOWLRJLYHEJZ-UHFFFAOYSA-N 0 0 256.733 3.004 10 30 CGEERN CCCN(c1ccc(/C(N)=N/O)cc1Cl)C(C)C ZINC000062794435 521697081 /nfs/dbraw/zinc/69/70/81/521697081.db2.gz PVMUBPHTFRBDDN-UHFFFAOYSA-N 0 0 269.776 3.059 10 30 CGEERN COCCC(=O)[C@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000049866050 522961021 /nfs/dbraw/zinc/96/10/21/522961021.db2.gz YQAQXBZKMSSQDY-SECBINFHSA-N 0 0 272.131 3.206 10 30 CGEERN CC[C@H]1CCCCN1c1ccc(Cl)cc1/C(N)=N/O ZINC000052860522 523031347 /nfs/dbraw/zinc/03/13/47/523031347.db2.gz MLIIKHBHCBCIKC-NSHDSACASA-N 0 0 281.787 3.203 10 30 CGEERN CC[C@@H]1CCCCN1c1ccc(/C(N)=N/O)cc1Cl ZINC000062794429 523178596 /nfs/dbraw/zinc/17/85/96/523178596.db2.gz MCFRIYUWZDUYCM-LLVKDONJSA-N 0 0 281.787 3.203 10 30 CGEERN Cc1cccc(CSc2ccccc2/C(N)=N/O)c1 ZINC000054965732 524462784 /nfs/dbraw/zinc/46/27/84/524462784.db2.gz JZKPCUNLIAZLTJ-UHFFFAOYSA-N 0 0 272.373 3.382 10 30 CGEERN Cc1cc(N(C)CCc2cccs2)c(C#N)c(C)n1 ZINC000157459663 525027355 /nfs/dbraw/zinc/02/73/55/525027355.db2.gz FNDSGVVBSZXXOR-UHFFFAOYSA-N 0 0 271.389 3.311 10 30 CGEERN Cc1cc(N(C)Cc2cccc(C#N)c2)c(C#N)c(C)n1 ZINC000156577118 525028116 /nfs/dbraw/zinc/02/81/16/525028116.db2.gz IXFWDOUTRPIGGQ-UHFFFAOYSA-N 0 0 276.343 3.078 10 30 CGEERN Cc1ccc(NC(C)(C)C#N)c(Br)c1 ZINC000057539264 525267541 /nfs/dbraw/zinc/26/75/41/525267541.db2.gz SUDBITFAPLSNAC-UHFFFAOYSA-N 0 0 253.143 3.472 10 30 CGEERN C[C@H]1CCCC[C@@H]1Oc1cc(Cl)ccc1/C(N)=N/O ZINC000062789621 526259393 /nfs/dbraw/zinc/25/93/93/526259393.db2.gz LZZBTIJYKBVUOY-CABZTGNLSA-N 0 0 282.771 3.392 10 30 CGEERN N#C[C@@H](C(=O)[C@H]1CCCOC1)c1ccc(F)cc1Cl ZINC000062610778 526493615 /nfs/dbraw/zinc/49/36/15/526493615.db2.gz GOZWDGQLTZDCAL-JOYOIKCWSA-N 0 0 281.714 3.082 10 30 CGEERN N#C[C@H](C(=O)Nc1cccc(F)c1)c1ccccc1 ZINC000061614105 526506127 /nfs/dbraw/zinc/50/61/27/526506127.db2.gz FXQZOADWKYFLNN-AWEZNQCLSA-N 0 0 254.264 3.072 10 30 CGEERN N#Cc1cc(Cl)ccc1Sc1nncs1 ZINC000052859930 526554661 /nfs/dbraw/zinc/55/46/61/526554661.db2.gz VEVAXPNUVJULKM-UHFFFAOYSA-N 0 0 253.739 3.214 10 30 CGEERN N#Cc1ccc(OCc2ccccc2F)c([N+](=O)[O-])c1 ZINC000049373810 526677839 /nfs/dbraw/zinc/67/78/39/526677839.db2.gz GVCGPHMQHRILFH-UHFFFAOYSA-N 0 0 272.235 3.185 10 30 CGEERN Cc1nc(C)c([C@H](C)Nc2ccnc(C#N)c2)s1 ZINC000061811881 526755843 /nfs/dbraw/zinc/75/58/43/526755843.db2.gz RIOHHBKDOKHCBT-VIFPVBQESA-N 0 0 258.350 3.200 10 30 CGEERN N/C(=N/O)c1cc(Cl)ccc1Oc1ccccc1F ZINC000052860757 526802423 /nfs/dbraw/zinc/80/24/23/526802423.db2.gz ZUVNFHPGXDMUNG-UHFFFAOYSA-N 0 0 280.686 3.366 10 30 CGEERN N/C(=N/O)c1ccc(OCc2cccs2)cc1Cl ZINC000061856485 526803338 /nfs/dbraw/zinc/80/33/38/526803338.db2.gz MGVSMYIHTOKPCF-UHFFFAOYSA-N 0 0 282.752 3.075 10 30 CGEERN CC(C)[C@@H]1N(C(=O)N[C@H]2CCC[C@H]2C#N)CC12CCCC2 ZINC000333679942 528807978 /nfs/dbraw/zinc/80/79/78/528807978.db2.gz ZQSMKYGCMWCDHY-KKUMJFAQSA-N 0 0 289.423 3.289 10 30 CGEERN CC(C)[C@H](C(=O)NC[C@@H]1CCCOC1)c1ccncc1 ZINC000329254310 528895562 /nfs/dbraw/zinc/89/55/62/528895562.db2.gz WTKBVLHCCFBBPI-ZFWWWQNUSA-N 0 0 276.380 3.204 10 30 CGEERN C[C@@H](O)c1cccc(OCc2ccccc2C#N)c1 ZINC000035627822 618996322 /nfs/dbraw/zinc/99/63/22/618996322.db2.gz BEBYVOJTBXAOEL-GFCCVEGCSA-N 0 0 253.301 3.191 10 30 CGEERN C=C(Br)CNC(=O)N[C@@H](C)c1ccccc1C ZINC000049287131 619724657 /nfs/dbraw/zinc/72/46/57/619724657.db2.gz JLIAOMURQRCBRE-NSHDSACASA-N 0 0 297.196 3.264 10 30 CGEERN C#CCC(C)(C)C(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000185825755 625458880 /nfs/dbraw/zinc/45/88/80/625458880.db2.gz MHQZARZOPQAIBI-LBPRGKRZSA-N 0 0 261.340 3.361 10 30 CGEERN C#C[C@@H](C)NC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000185974227 625499414 /nfs/dbraw/zinc/49/94/14/625499414.db2.gz AKLRJDIRQYFPFD-OLZOCXBDSA-N 0 0 266.344 3.222 10 30 CGEERN C#CCCCNC(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000174312171 623384323 /nfs/dbraw/zinc/38/43/23/623384323.db2.gz AKNGGAVFFVKDKJ-SNVBAGLBSA-N 0 0 282.746 3.253 10 30 CGEERN CCCCCCCCC(=O)NC[C@H](O)C(C)(C)C ZINC000324399011 623888002 /nfs/dbraw/zinc/88/80/02/623888002.db2.gz GYZBLKMZRJVPLE-ZDUSSCGKSA-N 0 0 257.418 3.260 10 30 CGEERN CC(C)(CC#N)COC(=O)Cc1ccc2c(c1)CCC2 ZINC000184797379 625272514 /nfs/dbraw/zinc/27/25/14/625272514.db2.gz SNVHFUJCLBHWGN-UHFFFAOYSA-N 0 0 271.360 3.201 10 30 CGEERN CCCCCCOc1ccc(C(=O)N[C@H](C)C#N)cc1 ZINC000125752385 634782699 /nfs/dbraw/zinc/78/26/99/634782699.db2.gz BPAHUBOKSZBMDI-CYBMUJFWSA-N 0 0 274.364 3.288 10 30 CGEERN CCCCCNC(=O)[C@@H](C#N)C(=O)C[C@H](CC)C(C)C ZINC000105755729 636003262 /nfs/dbraw/zinc/00/32/62/636003262.db2.gz NLZDPDPVJQKXLS-KBPBESRZSA-N 0 0 280.412 3.074 10 30 CGEERN CC[C@H](OC(=O)c1ccc(C#N)cn1)c1ccc(F)cc1 ZINC000107879653 636659638 /nfs/dbraw/zinc/65/96/38/636659638.db2.gz QOYIIGNMKPOBQC-HNNXBMFYSA-N 0 0 284.290 3.400 10 30 CGEERN N#Cc1ccc(-c2nnc([C@@H]3CCCOC3)o2)cc1Cl ZINC000886084519 637403464 /nfs/dbraw/zinc/40/34/64/637403464.db2.gz DGWILPDBUBFDDN-LLVKDONJSA-N 0 0 289.722 3.156 10 30 CGEERN N#C[C@H](C(=O)[C@@H]1C[C@@H]1C1CCCCC1)c1ccccn1 ZINC000076825123 640218503 /nfs/dbraw/zinc/21/85/03/640218503.db2.gz AHDBMUAMNMVGSG-KFWWJZLASA-N 0 0 268.360 3.474 10 30 CGEERN C=CCC1(C(=O)O[C@H](C)C2CCOCC2)CCC1 ZINC000192246987 640360990 /nfs/dbraw/zinc/36/09/90/640360990.db2.gz BZYCMNSWKQQYSD-GFCCVEGCSA-N 0 0 252.354 3.091 10 30 CGEERN CC(C)[C@H](C#N)OC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000246624251 640686088 /nfs/dbraw/zinc/68/60/88/640686088.db2.gz YAHMOCYCKKRYHX-MJVIPROJSA-N 0 0 279.286 3.160 10 30 CGEERN N#Cc1ccc(OCCSC[C@H](O)c2ccccc2)cc1 ZINC000247723555 640730137 /nfs/dbraw/zinc/73/01/37/640730137.db2.gz CEGDEJJDCCFWGQ-KRWDZBQOSA-N 0 0 299.395 3.404 10 30 CGEERN CCc1cc(N=Cc2ccc(O)c(O)c2O)ccc1C ZINC000588393562 799685725 /nfs/dbraw/zinc/68/57/25/799685725.db2.gz CDSXCWPEURRNEA-UHFFFAOYSA-N 0 0 271.316 3.425 10 30 CGEERN C#CC[C@H](OC(=O)/C=C\c1cccnc1)C(C)(C)C ZINC000588540020 799709160 /nfs/dbraw/zinc/70/91/60/799709160.db2.gz DEOKVYNLLOXHMG-CMUBDUJZSA-N 0 0 257.333 3.076 10 30 CGEERN C#CC[C@@H](OC(=O)/C=C\c1ncccc1C)C(C)(C)C ZINC000588539684 799709195 /nfs/dbraw/zinc/70/91/95/799709195.db2.gz FGZIHWIPXKHFHX-JQPIKURYSA-N 0 0 271.360 3.384 10 30 CGEERN O=C(/C=C\c1cocn1)c1ccc(F)c(Br)c1 ZINC000588561446 799711164 /nfs/dbraw/zinc/71/11/64/799711164.db2.gz RTNTVOCYWSMVNU-RQOWECAXSA-N 0 0 296.095 3.472 10 30 CGEERN N#Cc1c(N)occ1-c1ccc(Br)s1 ZINC000082574663 178115012 /nfs/dbraw/zinc/11/50/12/178115012.db2.gz YBPMGVJPGOOTER-UHFFFAOYSA-N 0 0 269.123 3.224 10 30 CGEERN CNC(=S)N=NCc1cccc(Oc2ccccc2)c1 ZINC000006674459 530039384 /nfs/dbraw/zinc/03/93/84/530039384.db2.gz PDEMMFYBLPARMB-GZTJUZNOSA-N 0 0 285.372 3.318 10 30 CGEERN CC(C)[C@@H](C#N)C(=O)c1cccc(Br)c1 ZINC000041045709 344966936 /nfs/dbraw/zinc/96/69/36/344966936.db2.gz OHYLNSHUYBXDHW-LLVKDONJSA-N 0 0 266.138 3.428 10 30 CGEERN C=CCc1c(OC)c(C)c(C)c(F)c1OC(C)=O ZINC000034484353 344939641 /nfs/dbraw/zinc/93/96/41/344939641.db2.gz ALPYOPXMRLMGIE-UHFFFAOYSA-N 0 0 252.285 3.105 10 30 CGEERN CC[C@@H](C#N)C(=O)c1cc(F)cc(Br)c1 ZINC000036915982 344945888 /nfs/dbraw/zinc/94/58/88/344945888.db2.gz YZQLNKQKQVEALC-ZETCQYMHSA-N 0 0 270.101 3.321 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NCc1ccc(Br)s1 ZINC000054825856 345139329 /nfs/dbraw/zinc/13/93/29/345139329.db2.gz FDSNRSXJNRTDIB-SCZZXKLOSA-N 0 0 285.210 3.292 10 30 CGEERN O=C1C=CO[C@@H](c2ccc(Br)cc2F)C1 ZINC000069850368 345386206 /nfs/dbraw/zinc/38/62/06/345386206.db2.gz AQNFFPQBLHTAGX-LLVKDONJSA-N 0 0 271.085 3.132 10 30 CGEERN CCc1[nH]nc2ncnc(-c3cccc(C4(C#N)CC4)c3)c12 ZINC000072318434 345409854 /nfs/dbraw/zinc/40/98/54/345409854.db2.gz JIJZEVBTNJLAJR-UHFFFAOYSA-N 0 0 289.342 3.137 10 30 CGEERN N#Cc1cc(NCC[C@H]2CCCO2)nc2ccccc12 ZINC000070978747 345399936 /nfs/dbraw/zinc/39/99/36/345399936.db2.gz WTNXCALKTAKLHC-CYBMUJFWSA-N 0 0 267.332 3.087 10 30 CGEERN N#Cc1nccnc1N[C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000078360016 345603919 /nfs/dbraw/zinc/60/39/19/345603919.db2.gz BXCAGKMCCTVVDN-KGLIPLIRSA-N 0 0 282.322 3.236 10 30 CGEERN C=CCc1c(O)cccc1C(=O)c1ccccc1C(=O)OC ZINC000079368018 345638256 /nfs/dbraw/zinc/63/82/56/345638256.db2.gz QOZPORDWSSCHLZ-UHFFFAOYSA-N 0 0 296.322 3.138 10 30 CGEERN N#Cc1ccc(N[C@@H](CO)c2ccc(Cl)cc2)c(F)c1 ZINC000092961259 345864998 /nfs/dbraw/zinc/86/49/98/345864998.db2.gz PRKPZMAMUXRGIT-HNNXBMFYSA-N 0 0 290.725 3.496 10 30 CGEERN N#CC[C@H](O)c1ccc(Cl)cc1Br ZINC000126845588 346027212 /nfs/dbraw/zinc/02/72/12/346027212.db2.gz OZYLGLVTLWFXKL-VIFPVBQESA-N 0 0 260.518 3.050 10 30 CGEERN C#CC[C@H](O)c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000136980866 346092449 /nfs/dbraw/zinc/09/24/49/346092449.db2.gz ADCNDCLYAIOJGQ-ZDUSSCGKSA-N 0 0 261.321 3.090 10 30 CGEERN CCn1c2ccc(N)cc2nc1Cc1ccc(C#N)cc1 ZINC000138989066 346098333 /nfs/dbraw/zinc/09/83/33/346098333.db2.gz TVDLXHBSUIISND-UHFFFAOYSA-N 0 0 276.343 3.101 10 30 CGEERN COc1cccc(N(CC#N)Cc2ccccc2)c1 ZINC000139674130 346101454 /nfs/dbraw/zinc/10/14/54/346101454.db2.gz SISQPZAXWYKVKJ-UHFFFAOYSA-N 0 0 252.317 3.225 10 30 CGEERN N=C(OCC#Cc1ccccc1)C(Cl)(Cl)Cl ZINC000142300707 346110662 /nfs/dbraw/zinc/11/06/62/346110662.db2.gz MUAXDUGBOCHNJE-UHFFFAOYSA-N 0 0 276.550 3.402 10 30 CGEERN COc1ccc(/C(=N/O)c2ccccc2F)c(O)c1C ZINC000146942201 346125073 /nfs/dbraw/zinc/12/50/73/346125073.db2.gz LKWQLQOHVRAYBD-SAPNQHFASA-N 0 0 275.279 3.075 10 30 CGEERN SCc1ccc(Br)c2cccnc12 ZINC000159288074 346167066 /nfs/dbraw/zinc/16/70/66/346167066.db2.gz JPZXJOBEMHAXFM-UHFFFAOYSA-N 0 0 254.152 3.427 10 30 CGEERN C[C@H](OS(C)(=O)=O)c1ccc(Cl)c(Cl)c1 ZINC000166225433 346185883 /nfs/dbraw/zinc/18/58/83/346185883.db2.gz WZLXGLBNVNJCRZ-LURJTMIESA-N 0 0 269.149 3.031 10 30 CGEERN COC(=O)CC1=CC(=O)C[C@@H](c2ccc(Cl)cc2)C1 ZINC000196105216 346275179 /nfs/dbraw/zinc/27/51/79/346275179.db2.gz OWQTWMZKIBVJGR-LBPRGKRZSA-N 0 0 278.735 3.276 10 30 CGEERN CC(=O)c1ccc(NC(=NC#N)Oc2ccccc2)cc1 ZINC000219399978 346294933 /nfs/dbraw/zinc/29/49/33/346294933.db2.gz HPTGKGUOHNPCTF-UHFFFAOYSA-N 0 0 279.299 3.026 10 30 CGEERN Cc1cccc(C#Cc2ccc(-c3ccn(C)n3)cc2)n1 ZINC000217741798 346292014 /nfs/dbraw/zinc/29/20/14/346292014.db2.gz DFLUVSMPBQQMQG-UHFFFAOYSA-N 0 0 273.339 3.190 10 30 CGEERN CC[C@](C)(C#N)[C@@H](O)c1occc1Br ZINC000234092451 346330592 /nfs/dbraw/zinc/33/05/92/346330592.db2.gz GRYKUBAJJNPGNR-VHSXEESVSA-N 0 0 258.115 3.015 10 30 CGEERN COc1cccc(C=Nc2cccc([N+](=O)[O-])c2)c1 ZINC000257351780 346399309 /nfs/dbraw/zinc/39/93/09/346399309.db2.gz HBGRHEBHLMZEQU-UHFFFAOYSA-N 0 0 256.261 3.354 10 30 CGEERN COC(=O)c1ccc(N=Cc2ccc(F)cc2)cc1 ZINC000257353034 346400073 /nfs/dbraw/zinc/40/00/73/346400073.db2.gz OYNMKENXQHRRMH-UHFFFAOYSA-N 0 0 257.264 3.363 10 30 CGEERN CC(=O)N(C)c1ccc(N=Cc2ccc(C#N)cc2)cc1 ZINC000257354039 346400325 /nfs/dbraw/zinc/40/03/25/346400325.db2.gz VINXWZSGJJHIOO-UHFFFAOYSA-N 0 0 277.327 3.292 10 30 CGEERN COC(=O)c1ccc(N=Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000254869788 346395606 /nfs/dbraw/zinc/39/56/06/346395606.db2.gz KGELAANLLIAOIX-UHFFFAOYSA-N 0 0 284.271 3.132 10 30 CGEERN N#C[C@H](c1cscc1Br)N1CCCC1 ZINC000307719436 346464807 /nfs/dbraw/zinc/46/48/07/346464807.db2.gz RLXZCATWZRLASH-SNVBAGLBSA-N 0 0 271.183 3.171 10 30 CGEERN N#C[C@H](c1ccccc1F)[C@@H](CCO)c1cncs1 ZINC000584639210 346702105 /nfs/dbraw/zinc/70/21/05/346702105.db2.gz BLPSCYFVZPLWEQ-VXGBXAGGSA-N 0 0 276.336 3.056 10 30 CGEERN N#C[C@H](c1cc(F)cc(F)c1)[C@H](CCO)c1cncs1 ZINC000584639293 346702185 /nfs/dbraw/zinc/70/21/85/346702185.db2.gz MERULVMTIVWZPZ-QWHCGFSZSA-N 0 0 294.326 3.195 10 30 CGEERN N#C[C@H](c1cccc(F)c1)[C@H](CCO)c1cncs1 ZINC000584639367 346702227 /nfs/dbraw/zinc/70/22/27/346702227.db2.gz WLJZMIYVOAFMOH-QWHCGFSZSA-N 0 0 276.336 3.056 10 30 CGEERN COC(=O)c1[nH]c2c(cc(C#N)cc2OC(F)(F)F)c1C ZINC000584645713 346703462 /nfs/dbraw/zinc/70/34/62/346703462.db2.gz BYHHYZKMGQMWAT-UHFFFAOYSA-N 0 0 298.220 3.033 10 30 CGEERN O=C([O-])[C@@H]1Cc2ccccc2/[N+]1=C/C=C/c1ccccc1 ZINC000584654611 346704893 /nfs/dbraw/zinc/70/48/93/346704893.db2.gz VECRCLAEVUHPQZ-KFLRQKRJSA-O 0 0 278.331 3.124 10 30 CGEERN COc1ccc(-c2ccccc2)cc1C[C@@H](O)CC#N ZINC000584611788 346692424 /nfs/dbraw/zinc/69/24/24/346692424.db2.gz ZCSMNGHLWSZMJJ-INIZCTEOSA-N 0 0 267.328 3.179 10 30 CGEERN C[C@@]1(O)C=CC(=O)[C@@H](c2ccc(-c3ccccc3)cc2)O1 ZINC000584625874 346697527 /nfs/dbraw/zinc/69/75/27/346697527.db2.gz XIYKUJUSGRHODB-MSOLQXFVSA-N 0 0 280.323 3.259 10 30 CGEERN Cc1ccc(CN2CCO[C@H]3CCCC[C@H]32)cc1C#N ZINC000599264687 347730289 /nfs/dbraw/zinc/73/02/89/347730289.db2.gz PIYIHBVSHFSLRA-SJORKVTESA-N 0 0 270.376 3.010 10 30 CGEERN N#Cc1cc(C(F)(F)F)ccc1N[C@H]1CCC[C@H](O)C1 ZINC000610715057 348398334 /nfs/dbraw/zinc/39/83/34/348398334.db2.gz JRLNJEGTSHJGNC-RYUDHWBXSA-N 0 0 284.281 3.292 10 30 CGEERN C=C(C)[C@H](O)Cc1c(O)cc(CCc2ccccc2)cc1O ZINC000000899130 290860585 /nfs/dbraw/zinc/86/05/85/290860585.db2.gz NOPHUFYTJFIALJ-QGZVFWFLSA-N 0 0 298.382 3.363 10 30 biogenic,in-vitro CGEERN N#CCc1c(OC(F)F)cccc1OC(F)(F)F ZINC000616576013 348834493 /nfs/dbraw/zinc/83/44/93/348834493.db2.gz KZMZOJJWTMQTJF-UHFFFAOYSA-N 0 0 267.153 3.253 10 30 CGEERN CC(=O)N1c2ccccc2NC[C@@H]1c1ccc(C#N)cc1 ZINC000616585457 348837263 /nfs/dbraw/zinc/83/72/63/348837263.db2.gz QONNXSRLTAXYKL-QGZVFWFLSA-N 0 0 277.327 3.078 10 30 CGEERN N#Cc1c(F)cccc1N1CCC[C@H]1c1nccs1 ZINC000361814780 233731806 /nfs/dbraw/zinc/73/18/06/233731806.db2.gz VGFMGMVSKQCQEX-ZDUSSCGKSA-N 0 0 273.336 3.495 10 30 CGEERN CC#CCCN1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000155331547 188198881 /nfs/dbraw/zinc/19/88/81/188198881.db2.gz AVVMRCVNEWTSSY-ZDUSSCGKSA-N 0 0 292.448 3.227 10 30 CGEERN CC(C)COc1ccc([C@H](C)NC(=O)C(C)(C)C#N)cc1 ZINC000159871927 188445956 /nfs/dbraw/zinc/44/59/56/188445956.db2.gz UNOPIEDGIMQQOO-ZDUSSCGKSA-N 0 0 288.391 3.448 10 30 CGEERN Cc1nnc([C@H](C)Nc2c(F)cc(C#N)cc2F)s1 ZINC000273556328 192201809 /nfs/dbraw/zinc/20/18/09/192201809.db2.gz ZZQHHJPTHOKASE-LURJTMIESA-N 0 0 280.303 3.170 10 30 CGEERN Cc1cnn([C@H]2CCCN(Cc3cc(C#N)ccc3F)C2)c1 ZINC000105900882 138352987 /nfs/dbraw/zinc/35/29/87/138352987.db2.gz IBPKMIPKISDFRI-INIZCTEOSA-N 0 0 298.365 3.039 10 30 CGEERN CCSC[C@H](C)N(C)c1ccc(F)cc1C#N ZINC000301733097 201166445 /nfs/dbraw/zinc/16/64/45/201166445.db2.gz FWLOHOCGIXYRSQ-JTQLQIEISA-N 0 0 252.358 3.275 10 30 CGEERN CC(C)(C)c1nc(CNc2cccc(C#N)n2)cs1 ZINC000301856389 201235202 /nfs/dbraw/zinc/23/52/02/201235202.db2.gz RJHUSHUWCGRWDD-UHFFFAOYSA-N 0 0 272.377 3.319 10 30 CGEERN S=C(N/N=C/C=C/c1ccccc1)N[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC000215724078 189696818 /nfs/dbraw/zinc/69/68/18/189696818.db2.gz YOONQWDZLCUVFZ-ZVBOOWDZSA-N 0 0 297.427 3.114 10 30 CGEERN O=[N+]([O-])c1cc(/C=N/NC2=NCCCCC2)ccc1Cl ZINC000003225178 368497630 /nfs/dbraw/zinc/49/76/30/368497630.db2.gz PSTYGYDSRAVWMW-CXUHLZMHSA-N 0 0 294.742 3.144 10 30 CGEERN COc1cccc(/C=N/C=N/c2cccc(OC)c2)c1 ZINC000018190814 368742118 /nfs/dbraw/zinc/74/21/18/368742118.db2.gz CWHVUMNEZIBZFC-JYFOCSDGSA-N 0 0 268.316 3.483 10 30 in-vitro CGEERN N#Cc1cnc(N2CCC(=Cc3ccccc3)CC2)cn1 ZINC000126451329 370945976 /nfs/dbraw/zinc/94/59/76/370945976.db2.gz MFZMXSILRUCWEK-UHFFFAOYSA-N 0 0 276.343 3.032 10 30 CGEERN N/C(=N\O)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000019865982 368774644 /nfs/dbraw/zinc/77/46/44/368774644.db2.gz NNSCPMUPOZZVMC-UHFFFAOYSA-N 0 0 262.696 3.227 10 30 CGEERN N#C[C@@H](c1cccc(O)c1)[C@H](C#N)c1cccc(O)c1 ZINC000027425105 368871871 /nfs/dbraw/zinc/87/18/71/368871871.db2.gz UMROKGUTNSZNIQ-IYBDPMFKSA-N 0 0 264.284 3.012 10 30 CGEERN O=C1C=C[C@@](O)(c2cc3ccccc3o2)c2ccccc21 ZINC000027626028 368872077 /nfs/dbraw/zinc/87/20/77/368872077.db2.gz BORZPXMIPREARG-SFHVURJKSA-N 0 0 276.291 3.421 10 30 CGEERN COc1ccc(/C=C\C(=O)c2cc(C#N)c(C)nc2C)cc1 ZINC000033373923 368963596 /nfs/dbraw/zinc/96/35/96/368963596.db2.gz PVENJAGSBFRUEM-TWGQIWQCSA-N 0 0 292.338 3.475 10 30 CGEERN COc1ccc(C(C)N=Nc2ccccc2[N+](=O)[O-])cc1 ZINC000035003824 368988356 /nfs/dbraw/zinc/98/83/56/368988356.db2.gz PNTNQKJDGIWRDJ-WJDWOHSUSA-N 0 0 285.303 3.440 10 30 CGEERN N#C[C@@H](C(=O)c1ccc(F)cc1Cl)c1ccccn1 ZINC000046440028 369294223 /nfs/dbraw/zinc/29/42/23/369294223.db2.gz LOKOXLBIJMFXJQ-LLVKDONJSA-N 0 0 274.682 3.364 10 30 CGEERN CCn1ccnc1CNc1ccc(Cl)c(C#N)c1 ZINC000051921992 369458120 /nfs/dbraw/zinc/45/81/20/369458120.db2.gz QWIKGYDPDBFYIJ-UHFFFAOYSA-N 0 0 260.728 3.040 10 30 CGEERN N#Cc1ccc(CN[C@H]2CCOc3ccccc32)c(F)c1 ZINC000051986692 369459899 /nfs/dbraw/zinc/45/98/99/369459899.db2.gz DSVSEYNFVSEUGQ-INIZCTEOSA-N 0 0 282.318 3.311 10 30 CGEERN CN(CCc1ccccc1)c1ccc([N+](=O)[O-])cc1C#N ZINC000052427809 369469206 /nfs/dbraw/zinc/46/92/06/369469206.db2.gz HYVKVYIHDRWAIN-UHFFFAOYSA-N 0 0 281.315 3.145 10 30 CGEERN COc1cc(CN[C@@H]2CCC[C@@H]2C#N)cc(Cl)c1OC ZINC000061892198 369611119 /nfs/dbraw/zinc/61/11/19/369611119.db2.gz IRCKIPHRNKCRBH-DGCLKSJQSA-N 0 0 294.782 3.139 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)Nc1ccccc1Cl ZINC000061889421 369611204 /nfs/dbraw/zinc/61/12/04/369611204.db2.gz YQHVSKPLCFOOHC-GXSJLCMTSA-N 0 0 263.728 3.154 10 30 CGEERN COc1cc(CN[C@@H]2CCC[C@H]2C#N)ccc1OC(C)C ZINC000061891672 369611227 /nfs/dbraw/zinc/61/12/27/369611227.db2.gz WHPKCHRPZBEFRM-LSDHHAIUSA-N 0 0 288.391 3.264 10 30 CGEERN CC(C)(C)OC(=O)N1CCCC[C@@H]1CCCS ZINC000095086316 370172288 /nfs/dbraw/zinc/17/22/88/370172288.db2.gz QJPVHDNZFXULFQ-LLVKDONJSA-N 0 0 259.415 3.486 10 30 CGEERN Cc1nn(C)c(C)c1[C@@H]1CCCN1c1ccc(C#N)cc1F ZINC000108951178 370358900 /nfs/dbraw/zinc/35/89/00/370358900.db2.gz XQPUCZPGMFKUOT-INIZCTEOSA-N 0 0 298.365 3.389 10 30 CGEERN Cn1cc([C@H]2CCCN2CC#Cc2cccc(Cl)c2)cn1 ZINC000158396149 372068182 /nfs/dbraw/zinc/06/81/82/372068182.db2.gz XOPHLGNAQDGBJJ-QGZVFWFLSA-N 0 0 299.805 3.262 10 30 CGEERN Cc1ccc([C@H]2CN(CCCC(C)(C)C#N)CCO2)o1 ZINC000158585377 372075016 /nfs/dbraw/zinc/07/50/16/372075016.db2.gz HCTDSLVYBFQPPD-OAHLLOKOSA-N 0 0 276.380 3.291 10 30 CGEERN C=C(C)CCNc1cccc(Br)c1N ZINC000306876659 374139805 /nfs/dbraw/zinc/13/98/05/374139805.db2.gz HOWREBMFFRNBDT-UHFFFAOYSA-N 0 0 255.159 3.409 10 30 CGEERN CCC[C@@H]1C[C@H]1NC(=O)N[C@H]1CCCC12CCOCC2 ZINC000328675480 374374666 /nfs/dbraw/zinc/37/46/66/374374666.db2.gz QVNLUGDICAYTKY-MCIONIFRSA-N 0 0 280.412 3.028 10 30 CGEERN CC(C)[C@@H]1OCC[C@@H]1CNC(=O)C[C@@H]1CCCCC(=O)N1 ZINC000328672334 374374702 /nfs/dbraw/zinc/37/47/02/374374702.db2.gz OCEIKJCAOSGFCH-WWGRRREGSA-N 0 0 296.411 3.293 10 30 CGEERN C[C@@H](C(=O)Nc1ccccc1)N1CCC[C@H](n2cccn2)C1 ZINC000328713462 374377215 /nfs/dbraw/zinc/37/72/15/374377215.db2.gz RZTNDXUTJJLHJU-HOCLYGCPSA-N 0 0 298.390 3.197 10 30 CGEERN CCn1ncc2ccc(NC(=O)N3C[C@@H]4CCC[C@H]43)cc21 ZINC000329927031 374442952 /nfs/dbraw/zinc/44/29/52/374442952.db2.gz LEXIYCMFGJZPRT-GXTWGEPZSA-N 0 0 284.363 3.086 10 30 CGEERN O=C(Nc1ccc2c(c1)NC(=O)CC2)N1C[C@@H]2CCC[C@@H]21 ZINC000329936779 374443206 /nfs/dbraw/zinc/44/32/06/374443206.db2.gz RTCPFTMPNWNSFF-FZMZJTMJSA-N 0 0 285.347 3.251 10 30 CGEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000185187450 374605951 /nfs/dbraw/zinc/60/59/51/374605951.db2.gz JERSQXDDUFRAII-OLZOCXBDSA-N 0 0 291.391 3.483 10 30 CGEERN C=C(C)C[C@@H](C)C(=O)N1CCc2c(nc(C(C)C)n2C)C1 ZINC000185545485 374684970 /nfs/dbraw/zinc/68/49/70/374684970.db2.gz MJFVKZWYXCYQTR-CYBMUJFWSA-N 0 0 289.423 3.031 10 30 CGEERN C=CCC1(C(=O)N[C@H](C)COCc2ccccc2)CCC1 ZINC000188357252 375202074 /nfs/dbraw/zinc/20/20/74/375202074.db2.gz JMWXWHSYPKGLOC-OAHLLOKOSA-N 0 0 287.403 3.454 10 30 CGEERN CCc1nc(C2(NCC#Cc3ccccc3)CCCC2)no1 ZINC000192047387 375693530 /nfs/dbraw/zinc/69/35/30/375693530.db2.gz VEHJRMUNFXDZQS-UHFFFAOYSA-N 0 0 295.386 3.043 10 30 CGEERN CC(C)(C)c1csc([C@H]2CN(CCCC#N)CCO2)n1 ZINC000195399184 376101463 /nfs/dbraw/zinc/10/14/63/376101463.db2.gz KPLULBCKKCJJML-GFCCVEGCSA-N 0 0 293.436 3.118 10 30 CGEERN CC1=C2CCN(C(=O)OC(C)(C)C)C[C@H]2[C@H](C)CC1=O ZINC000223349015 376252183 /nfs/dbraw/zinc/25/21/83/376252183.db2.gz DPKUCKKWQFUGSJ-MFKMUULPSA-N 0 0 279.380 3.169 10 30 CGEERN CCC1CCC(CNc2ccc([N+](=O)[O-])c(C#N)n2)CC1 ZINC000232903320 376592808 /nfs/dbraw/zinc/59/28/08/376592808.db2.gz KZFDPLSVRJPWOP-UHFFFAOYSA-N 0 0 288.351 3.490 10 30 CGEERN C[C@@H](C#N)CN[C@H]1CCc2c1cccc2Br ZINC000235487124 376641104 /nfs/dbraw/zinc/64/11/04/376641104.db2.gz RYZQMFFCMOJDNX-ZANVPECISA-N 0 0 279.181 3.186 10 30 CGEERN Cc1ccccc1[C@H](C)Nc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000235540870 376643316 /nfs/dbraw/zinc/64/33/16/376643316.db2.gz XOERWUDDJQWJNN-NSHDSACASA-N 0 0 282.303 3.343 10 30 CGEERN C=CCC(CC=C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000247990737 377253414 /nfs/dbraw/zinc/25/34/14/377253414.db2.gz JAJRBDXDEUWBFQ-QZTJIDSGSA-N 0 0 298.430 3.316 10 30 CGEERN COc1ccc(OC)c(CN=Nc2nc(C)c(C)s2)c1 ZINC000254751438 377713295 /nfs/dbraw/zinc/71/32/95/377713295.db2.gz JSYGSWXETOSEES-UHFFFAOYSA-N 0 0 291.376 3.223 10 30 CGEERN CC(C)Oc1ccc(Br)cc1C=NO ZINC000254486543 377707107 /nfs/dbraw/zinc/70/71/07/377707107.db2.gz GULIYOQSYUIHLE-UHFFFAOYSA-N 0 0 258.115 3.044 10 30 CGEERN CCOC(=O)Cc1c(C#N)cc(CC)cc1C(F)(F)F ZINC000575389609 377897636 /nfs/dbraw/zinc/89/76/36/377897636.db2.gz MHNNCXLFMXOFKY-UHFFFAOYSA-N 0 0 285.265 3.245 10 30 CGEERN N#Cc1cc(C(F)(F)F)cc(N)c1C(F)(F)F ZINC000575340928 377882752 /nfs/dbraw/zinc/88/27/52/377882752.db2.gz GQNKVAYMXSJFDZ-UHFFFAOYSA-N 0 0 254.133 3.178 10 30 CGEERN CCOC(=O)c1c(C#N)cc(CC)cc1C(F)F ZINC000575389970 377898794 /nfs/dbraw/zinc/89/87/94/377898794.db2.gz XHHSXKFJWIOKJI-UHFFFAOYSA-N 0 0 253.248 3.235 10 30 CGEERN COC(=O)c1ccc(C(F)(F)F)c(C(F)(F)F)c1C#N ZINC000575379851 377891119 /nfs/dbraw/zinc/89/11/19/377891119.db2.gz LYKDJWCBCPOCRP-UHFFFAOYSA-N 0 0 297.154 3.382 10 30 CGEERN CCOC(=O)c1ccc(C(F)(F)F)c(Cl)c1C#N ZINC000575383046 377893705 /nfs/dbraw/zinc/89/37/05/377893705.db2.gz CAYIFYHPGMXOIZ-UHFFFAOYSA-N 0 0 277.629 3.407 10 30 CGEERN COC(=O)Cc1ccc(C(F)F)c(C#N)c1C(F)(F)F ZINC000575386982 377894605 /nfs/dbraw/zinc/89/46/05/377894605.db2.gz AGCZMPPBNVEKHC-UHFFFAOYSA-N 0 0 293.191 3.230 10 30 CGEERN COC(=O)Cc1cc(C#N)cc(C(F)F)c1C(F)(F)F ZINC000575387317 377896050 /nfs/dbraw/zinc/89/60/50/377896050.db2.gz JNEXBSFNGNILFN-UHFFFAOYSA-N 0 0 293.191 3.230 10 30 CGEERN CCOC(=O)c1cc(C#N)c(C(F)F)cc1CC ZINC000575389731 377897245 /nfs/dbraw/zinc/89/72/45/377897245.db2.gz NREWXDWNKUZADD-UHFFFAOYSA-N 0 0 253.248 3.235 10 30 CGEERN CCOC(=O)Cc1c(CC)cc(C#N)cc1C(F)F ZINC000575389367 377897344 /nfs/dbraw/zinc/89/73/44/377897344.db2.gz CDMKULFNVJEGIL-UHFFFAOYSA-N 0 0 267.275 3.164 10 30 CGEERN CCOC(=O)Cc1cc(C(F)F)cc(CC)c1C#N ZINC000575389755 377897423 /nfs/dbraw/zinc/89/74/23/377897423.db2.gz PSTOSYZDYLXSJX-UHFFFAOYSA-N 0 0 267.275 3.164 10 30 CGEERN CCOC(=O)Cc1c(CC)ccc(C(F)(F)F)c1C#N ZINC000575389580 377897471 /nfs/dbraw/zinc/89/74/71/377897471.db2.gz KMKFYMLUXBCCGS-UHFFFAOYSA-N 0 0 285.265 3.245 10 30 CGEERN COC(=O)c1ccc(C#N)c(F)c1SC(F)(F)F ZINC000575390714 377899933 /nfs/dbraw/zinc/89/99/33/377899933.db2.gz SWGKDPRDTGYCJE-UHFFFAOYSA-N 0 0 279.214 3.096 10 30 CGEERN CC(C)(C)OC(=O)N[C@@]1(C#N)CCC12CCCC2 ZINC000575523699 377916100 /nfs/dbraw/zinc/91/61/00/377916100.db2.gz VKZFAJNFBRUZCS-CQSZACIVSA-N 0 0 250.342 3.128 10 30 CGEERN N#CCc1cc(C#N)cc(C(F)(F)F)c1OC(F)F ZINC000575639456 377925062 /nfs/dbraw/zinc/92/50/62/377925062.db2.gz RBPNVFICCIETPK-UHFFFAOYSA-N 0 0 276.164 3.245 10 30 CGEERN N#CCc1cc(C#N)c(OC(F)F)c(OC(F)(F)F)c1 ZINC000575640916 377925541 /nfs/dbraw/zinc/92/55/41/377925541.db2.gz URHQEIOFACCTII-UHFFFAOYSA-N 0 0 292.163 3.124 10 30 CGEERN N#CCc1cc(C(F)F)cc(OC(F)F)c1[N+](=O)[O-] ZINC000575653089 377930456 /nfs/dbraw/zinc/93/04/56/377930456.db2.gz ULMJMZFDSXPBPH-UHFFFAOYSA-N 0 0 278.161 3.200 10 30 CGEERN N#CCc1cc(C(F)(F)F)cc(O)c1OC(F)F ZINC000575661828 377938022 /nfs/dbraw/zinc/93/80/22/377938022.db2.gz MVZNKFNLPSQBIL-UHFFFAOYSA-N 0 0 267.153 3.078 10 30 CGEERN N#CCc1cc(C(F)(F)F)cc(OC(F)F)c1O ZINC000575661522 377938099 /nfs/dbraw/zinc/93/80/99/377938099.db2.gz HUTGWJYTTLFCIO-UHFFFAOYSA-N 0 0 267.153 3.078 10 30 CGEERN N#CCc1cc(OC(F)F)c(C(F)(F)F)cc1O ZINC000575662168 377938738 /nfs/dbraw/zinc/93/87/38/377938738.db2.gz SHXOABHYPWJPNX-UHFFFAOYSA-N 0 0 267.153 3.078 10 30 CGEERN Cc1cc(OC(F)(F)F)c(OC(F)F)cc1C#N ZINC000575664512 377941224 /nfs/dbraw/zinc/94/12/24/377941224.db2.gz GYSBUHHKINNKPN-UHFFFAOYSA-N 0 0 267.153 3.367 10 30 CGEERN N#Cc1cc([N+](=O)[O-])c(OC(F)F)c(C(F)(F)F)c1 ZINC000575668970 377946433 /nfs/dbraw/zinc/94/64/33/377946433.db2.gz ZPNLJXQAUDJTAI-UHFFFAOYSA-N 0 0 282.124 3.087 10 30 CGEERN N#Cc1cc(Cl)cc(OC(F)F)c1OC(F)F ZINC000575674165 377949622 /nfs/dbraw/zinc/94/96/22/377949622.db2.gz DLVOMDGFVAAMPE-UHFFFAOYSA-N 0 0 269.581 3.414 10 30 CGEERN COC(=O)c1c(C)c(C#N)ccc1SC(F)(F)F ZINC000575395163 377902307 /nfs/dbraw/zinc/90/23/07/377902307.db2.gz PSKOYNGXOBCBID-UHFFFAOYSA-N 0 0 275.251 3.265 10 30 CGEERN Fc1cc(OC(F)(F)F)cc(OC(F)F)c1F ZINC000575396804 377903964 /nfs/dbraw/zinc/90/39/64/377903964.db2.gz WIFPXTCDVDKXIR-UHFFFAOYSA-N 0 0 264.096 3.465 10 30 CGEERN C[C@@H]1CC[C@@](C#N)(NC(=O)OC(C)(C)C)C[C@H]1C ZINC000575497593 377916025 /nfs/dbraw/zinc/91/60/25/377916025.db2.gz WTEOFZSRQAKERX-JTNHKYCSSA-N 0 0 252.358 3.230 10 30 CGEERN N#CCc1cc(Br)c([N+](=O)[O-])cc1C(F)F ZINC000575684409 377959234 /nfs/dbraw/zinc/95/92/34/377959234.db2.gz GFQREOVEGWZVQQ-UHFFFAOYSA-N 0 0 291.051 3.361 10 30 CGEERN Cc1c(Br)cc(OC(F)F)cc1CC#N ZINC000575685011 377960458 /nfs/dbraw/zinc/96/04/58/377960458.db2.gz YEICRTOJEIBZFH-UHFFFAOYSA-N 0 0 276.080 3.425 10 30 CGEERN N#CCc1cc([N+](=O)[O-])cc(C(F)F)c1Br ZINC000575687089 377961943 /nfs/dbraw/zinc/96/19/43/377961943.db2.gz UJSDPMZOKYYMOT-UHFFFAOYSA-N 0 0 291.051 3.361 10 30 CGEERN N#CCc1c(O)cc(Br)cc1C(F)(F)F ZINC000575689938 377965291 /nfs/dbraw/zinc/96/52/91/377965291.db2.gz NKKKAVOCNQXJBL-UHFFFAOYSA-N 0 0 280.043 3.240 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NCc1c(F)cccc1Br ZINC000347697304 378725429 /nfs/dbraw/zinc/72/54/29/378725429.db2.gz COABHIRUEWFDRJ-TVQRCGJNSA-N 0 0 297.171 3.370 10 30 CGEERN CC1(C)CCCCN(C(=O)NCc2cccc(C#N)c2)C1 ZINC000408443544 380011828 /nfs/dbraw/zinc/01/18/28/380011828.db2.gz QGHGXTYXMYRQAP-UHFFFAOYSA-N 0 0 285.391 3.280 10 30 CGEERN CCC1CCC(NC(=O)c2csc(=O)[nH]2)CC1 ZINC000329916169 542449478 /nfs/dbraw/zinc/44/94/78/542449478.db2.gz QDQHIASNKSNEHO-UHFFFAOYSA-N 0 0 254.355 3.122 10 30 CGEERN CO[C@H]1CCC[C@@H](Nc2nc(C(F)(F)F)ccc2C#N)C1 ZINC000301753867 392598220 /nfs/dbraw/zinc/59/82/20/392598220.db2.gz CCMXWULJMIREOO-MNOVXSKESA-N 0 0 299.296 3.342 10 30 CGEERN O=C(N[C@@H]1CCCc2c[nH]nc21)[C@H]1CCc2ccccc21 ZINC000330138783 392692658 /nfs/dbraw/zinc/69/26/58/392692658.db2.gz VUFIKKBSZGVRKR-LSDHHAIUSA-N 0 0 281.359 3.474 10 30 CGEERN Cc1ccccc1[C@H](C)NC(=O)c1cccc(F)c1C#N ZINC000186184976 392777786 /nfs/dbraw/zinc/77/77/86/392777786.db2.gz FLXVYWSYDAGRSX-LBPRGKRZSA-N 0 0 282.318 3.497 10 30 CGEERN Cc1ccc2c(c1)C(=O)C=C(Nc1ccccc1)C2=O ZINC000196148792 392975493 /nfs/dbraw/zinc/97/54/93/392975493.db2.gz FIMJKUITCBRHLE-UHFFFAOYSA-N 0 0 263.296 3.370 10 30 CGEERN CCCSc1ncc(Br)cc1C#N ZINC000211563225 392985406 /nfs/dbraw/zinc/98/54/06/392985406.db2.gz LBSYHLRAJQXEHI-UHFFFAOYSA-N 0 0 257.156 3.218 10 30 CGEERN CC#C[C@@H](O)c1ccc(Cl)cc1Br ZINC000306407276 397677591 /nfs/dbraw/zinc/67/75/91/397677591.db2.gz YSCXZHRKMFSZRW-SNVBAGLBSA-N 0 0 259.530 3.159 10 30 CGEERN N#C[C@@]1(c2ccc(Br)cn2)CCCS1 ZINC000307520020 397681054 /nfs/dbraw/zinc/68/10/54/397681054.db2.gz PFWMTADXGMRLCL-SNVBAGLBSA-N 0 0 269.167 3.090 10 30 CGEERN CCO[C@@H]1C[C@H](N(C)c2ncccc2C#N)C12CCCC2 ZINC000156888644 286335184 /nfs/dbraw/zinc/33/51/84/286335184.db2.gz MEKWSUTYRYMKMY-LSDHHAIUSA-N 0 0 285.391 3.127 10 30 CGEERN CCSC[C@@H](C)N(C)c1ccc([N+](=O)[O-])c(C#N)c1 ZINC000166975547 165493904 /nfs/dbraw/zinc/49/39/04/165493904.db2.gz JJSRQLLOSLTTBE-SNVBAGLBSA-N 0 0 279.365 3.044 10 30 CGEERN COc1ccccc1/C=N/OCc1ccc([N+](=O)[O-])cc1 ZINC000003320763 169878819 /nfs/dbraw/zinc/87/88/19/169878819.db2.gz KYDNZVIRXJMBIX-MHWRWJLKSA-N 0 0 286.287 3.154 10 30 CGEERN Cc1cc(C=NNc2ccc([N+](=O)[O-])cc2)c(C)c(CO)c1 ZINC000005378701 170091516 /nfs/dbraw/zinc/09/15/16/170091516.db2.gz XAHCXQBPXRBEQX-RQZCQDPDSA-N 0 0 299.330 3.150 10 30 CGEERN N#Cc1c2c(sc1/N=C/c1ccc([N+](=O)[O-])o1)CCC2 ZINC000005582111 170115764 /nfs/dbraw/zinc/11/57/64/170115764.db2.gz GVKQVQHXDUIXLF-VIZOYTHASA-N 0 0 287.300 3.360 10 30 CGEERN Oc1ccc(C=NNc2cccc(Cl)c2)c(O)c1 ZINC000005699428 170130580 /nfs/dbraw/zinc/13/05/80/170130580.db2.gz NHBZWVPRLMYCJX-OVCLIPMQSA-N 0 0 262.696 3.197 10 30 CGEERN O=[N+]([O-])c1ccccc1/C=N/OCc1ccccc1 ZINC000007989664 170312471 /nfs/dbraw/zinc/31/24/71/170312471.db2.gz KEMRHLZCDLUALI-XNTDXEJSSA-N 0 0 256.261 3.146 10 30 CGEERN COc1ccc(C(=O)O/N=C(\C)c2cccs2)cc1 ZINC000008828953 170356727 /nfs/dbraw/zinc/35/67/27/170356727.db2.gz RQJOPQQZOPXDDI-XNTDXEJSSA-N 0 0 275.329 3.338 10 30 CGEERN Cc1cc(C(=O)N(CCC#N)c2ccccc2)ccc1N ZINC000019833375 170883275 /nfs/dbraw/zinc/88/32/75/170883275.db2.gz GBFDEDPLASVOIW-UHFFFAOYSA-N 0 0 279.343 3.138 10 30 CGEERN N/C(=N\O)c1cccc(CSc2ccccc2)c1 ZINC000019847696 170897193 /nfs/dbraw/zinc/89/71/93/170897193.db2.gz ZWFZTJGEWGBANB-UHFFFAOYSA-N 0 0 258.346 3.073 10 30 CGEERN CN(C)c1ccc([C@@H](C#N)NCc2ccccc2)cc1 ZINC000020174639 171041527 /nfs/dbraw/zinc/04/15/27/171041527.db2.gz VTVVSGTVQLRHTR-QGZVFWFLSA-N 0 0 265.360 3.107 10 30 CGEERN CCOc1ccc([C@H](C#N)NCc2ccco2)cc1 ZINC000020175113 171041844 /nfs/dbraw/zinc/04/18/44/171041844.db2.gz YZYNAKXPWQRRJX-HNNXBMFYSA-N 0 0 256.305 3.033 10 30 CGEERN COc1ccc([C@@H](C#N)NC2CCCCC2)c(OC)c1 ZINC000020175997 171042380 /nfs/dbraw/zinc/04/23/80/171042380.db2.gz YKAMTJJSVHDRKU-OAHLLOKOSA-N 0 0 274.364 3.191 10 30 CGEERN CCN(CCC(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000020261127 171117782 /nfs/dbraw/zinc/11/77/82/171117782.db2.gz JURKZQNSKMBTAH-UHFFFAOYSA-N 0 0 293.370 3.413 10 30 CGEERN O=C1C=C(NC2Cc3ccccc3C2)C[C@H](c2ccco2)C1 ZINC000021344862 171303090 /nfs/dbraw/zinc/30/30/90/171303090.db2.gz YZWTZZHYKJTIOL-HNNXBMFYSA-N 0 0 293.366 3.367 10 30 CGEERN COCc1nn(-c2cc(C)ccc2C)c(Cl)c1C#N ZINC000021949701 171339289 /nfs/dbraw/zinc/33/92/89/171339289.db2.gz CQPCKXAKXQHEQE-UHFFFAOYSA-N 0 0 275.739 3.161 10 30 CGEERN CN(/N=C/c1ccccc1OCC#N)c1ccccc1 ZINC000023100088 171411969 /nfs/dbraw/zinc/41/19/69/171411969.db2.gz LQGXNXJQYPAXBL-QGOAFFKASA-N 0 0 265.316 3.059 10 30 CGEERN N#Cc1ccc(COCCc2ccccc2)c(F)c1 ZINC000034958263 171904106 /nfs/dbraw/zinc/90/41/06/171904106.db2.gz QRNFFDQUKYYZQX-UHFFFAOYSA-N 0 0 255.292 3.457 10 30 CGEERN N#Cc1cccc(N2C(=O)CC3(CCCCCC3)C2=O)c1 ZINC000035084147 171971089 /nfs/dbraw/zinc/97/10/89/171971089.db2.gz AREGBOKXTNMIBA-UHFFFAOYSA-N 0 0 282.343 3.162 10 30 CGEERN Cc1cc([N+](=O)[O-])ccc1NCc1cccc(C#N)c1 ZINC000035222612 172064998 /nfs/dbraw/zinc/06/49/98/172064998.db2.gz XKWOJFISXKNQKG-UHFFFAOYSA-N 0 0 267.288 3.387 10 30 CGEERN CC[C@@H](CC#N)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000036679317 172651926 /nfs/dbraw/zinc/65/19/26/172651926.db2.gz NPMYCIWWXRHJCU-QMMMGPOBSA-N 0 0 254.236 3.112 10 30 CGEERN N#C[C@H](NCc1ccccc1)c1cc(F)ccc1F ZINC000037939480 173878782 /nfs/dbraw/zinc/87/87/82/173878782.db2.gz XQEHEOAXCANOMU-HNNXBMFYSA-N 0 0 258.271 3.319 10 30 CGEERN CC[C@H](C)N[C@H](C#N)c1ccc(OC)c(Br)c1 ZINC000038064549 174075458 /nfs/dbraw/zinc/07/54/58/174075458.db2.gz BQQYBTBKIFPJJG-JOYOIKCWSA-N 0 0 297.196 3.410 10 30 CGEERN CC[C@H](C)N[C@@]1(C#N)CCCc2cc(OC)ccc21 ZINC000038064405 174075489 /nfs/dbraw/zinc/07/54/89/174075489.db2.gz GZXWPRVAQVDXGE-BLLLJJGKSA-N 0 0 258.365 3.138 10 30 CGEERN C=C(C)C(=O)NCc1nc2ccccc2n1CCC(C)C ZINC000040194171 174202810 /nfs/dbraw/zinc/20/28/10/174202810.db2.gz OXHOTRKOHVENGL-UHFFFAOYSA-N 0 0 285.391 3.275 10 30 CGEERN C=CCn1c(CNC(=O)C2CCCCC2)nc2ccccc21 ZINC000040188408 174203162 /nfs/dbraw/zinc/20/31/62/174203162.db2.gz CRAMLFLGSPDIRB-UHFFFAOYSA-N 0 0 297.402 3.419 10 30 CGEERN N#CCc1ncc(-c2ccc(Br)cc2)o1 ZINC000040543138 174323453 /nfs/dbraw/zinc/32/34/53/174323453.db2.gz HIJWAXSSXIBPMR-UHFFFAOYSA-N 0 0 263.094 3.170 10 30 CGEERN C=CCNc1ncnc(Nc2ccc(C)c(C)c2)c1N ZINC000040702690 174378772 /nfs/dbraw/zinc/37/87/72/174378772.db2.gz ASWCASLIMXRUEC-UHFFFAOYSA-N 0 0 269.352 3.017 10 30 CGEERN CCCSCc1ccc(OC)c(C#CCCO)c1 ZINC000049622428 175495393 /nfs/dbraw/zinc/49/53/93/175495393.db2.gz CTNMWQGLERCMMC-UHFFFAOYSA-N 0 0 264.390 3.072 10 30 CGEERN N#Cc1c(F)cccc1N[C@@H]1COc2ccccc21 ZINC000058545107 175626564 /nfs/dbraw/zinc/62/65/64/175626564.db2.gz JMFIXASGNRXIPZ-CQSZACIVSA-N 0 0 254.264 3.243 10 30 CGEERN N#Cc1c(N)nc(-c2cc(F)cc(F)c2)cc1C1CC1 ZINC000071662855 176242547 /nfs/dbraw/zinc/24/25/47/176242547.db2.gz NGQKDEFKOKVGEM-UHFFFAOYSA-N 0 0 271.270 3.358 10 30 CGEERN C=CC[C@H](C)C(=O)[C@@H](C)NC(=O)OCc1ccccc1 ZINC000685961675 544111338 /nfs/dbraw/zinc/11/13/38/544111338.db2.gz NGNFCJSVAYTCNY-QWHCGFSZSA-N 0 0 275.348 3.083 10 30 CGEERN COC(C)(C)C#Cc1c[nH]c2cncc(Br)c12 ZINC000725246040 544112687 /nfs/dbraw/zinc/11/26/87/544112687.db2.gz PUFDTVUBIXHBLP-UHFFFAOYSA-N 0 0 293.164 3.102 10 30 CGEERN SCc1noc2c1Cc1c-2cccc1Br ZINC000725252861 544112716 /nfs/dbraw/zinc/11/27/16/544112716.db2.gz RLZSSFHCQZEJNS-UHFFFAOYSA-N 0 0 282.162 3.438 10 30 CGEERN O=C(NCCC1CCOCC1)N[C@H]1CC12CCCCC2 ZINC000329098282 227295485 /nfs/dbraw/zinc/29/54/85/227295485.db2.gz CPZFLZZEJFYRIG-AWEZNQCLSA-N 0 0 280.412 3.030 10 30 CGEERN C=CC[C@H](C)NC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000116860770 260003246 /nfs/dbraw/zinc/00/32/46/260003246.db2.gz UFBKPUJFEZZWKB-MVWJERBFSA-N 0 0 265.303 3.149 10 30 CGEERN CCCCCCCCN1CCOC[C@@H]1c1nc(C)no1 ZINC000160861529 262302510 /nfs/dbraw/zinc/30/25/10/262302510.db2.gz QFMYWMUGAYHWCB-CQSZACIVSA-N 0 0 281.400 3.112 10 30 CGEERN N#Cc1ccc(OCc2ccc(N)cc2)c(Cl)c1 ZINC000059952756 262390746 /nfs/dbraw/zinc/39/07/46/262390746.db2.gz DEGYRBVHVZBHTH-UHFFFAOYSA-N 0 0 258.708 3.373 10 30 CGEERN O=C(C[C@@H]1CCCCC(=O)N1)NC[C@H]1CCCS1 ZINC000328673504 263837337 /nfs/dbraw/zinc/83/73/37/263837337.db2.gz PGIOJGRPANJPTJ-WDEREUQCSA-N 0 0 270.398 3.128 10 30 CGEERN CCC[C@@H]1C[C@H]1NC(=O)N[C@@H]1CCCC12CCOCC2 ZINC000328675481 263837854 /nfs/dbraw/zinc/83/78/54/263837854.db2.gz QVNLUGDICAYTKY-MGPQQGTHSA-N 0 0 280.412 3.028 10 30 CGEERN Cc1cc(Cl)cc(C(=O)N[C@@H]2CCC[C@@H]2C#N)c1 ZINC000130610212 264361072 /nfs/dbraw/zinc/36/10/72/264361072.db2.gz UDWGXKRDAIOOOT-ZWNOBZJWSA-N 0 0 262.740 3.071 10 30 CGEERN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2cccc(C#N)c2)o1 ZINC000193640660 267439874 /nfs/dbraw/zinc/43/98/74/267439874.db2.gz OGMWGLFAUQYVTH-OLZOCXBDSA-N 0 0 297.358 3.138 10 30 CGEERN C=CC[C@H]([NH2+]Cc1ccccc1)c1ccc(C(=O)[O-])o1 ZINC000000163930 277888843 /nfs/dbraw/zinc/88/88/43/277888843.db2.gz QPWMBWJEOCQEGJ-ZDUSSCGKSA-N 0 0 271.316 3.385 10 30 CGEERN C[C@H]1CCN(C(=O)Nc2ccc(C#N)cc2)C[C@@H](C)C1 ZINC000154367124 278360005 /nfs/dbraw/zinc/36/00/05/278360005.db2.gz KVWHEZYDVNKSFP-STQMWFEESA-N 0 0 271.364 3.458 10 30 CGEERN Cc1c(C)n(-c2ccc(F)cc2Cl)c(N)c1C#N ZINC000036938765 278594414 /nfs/dbraw/zinc/59/44/14/278594414.db2.gz CTKKBVLGOKLBSX-UHFFFAOYSA-N 0 0 263.703 3.341 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1ccc2c3c(cccc31)CC2 ZINC000330053342 279484668 /nfs/dbraw/zinc/48/46/68/279484668.db2.gz QGHZGMMHWWATJS-WMLDXEAASA-N 0 0 290.366 3.360 10 30 CGEERN O=S(=O)(/N=C(\Cl)c1ccccc1)c1ccccc1 ZINC000012504578 280335129 /nfs/dbraw/zinc/33/51/29/280335129.db2.gz FMGSGATZZHTVKD-SQFISAMPSA-N 0 0 279.748 3.061 10 30 CGEERN N[C@H](c1ccc(F)cc1C(F)(F)F)C(F)(F)F ZINC000072195533 295332534 /nfs/dbraw/zinc/33/25/34/295332534.db2.gz UFDHIJMLKFENNV-SSDOTTSWSA-N 0 0 261.140 3.407 10 30 CGEERN Cc1cnc(NC(=O)N2CCSC3(CCCCC3)C2)o1 ZINC000330317190 302355541 /nfs/dbraw/zinc/35/55/41/302355541.db2.gz ZZLNWSOPCAVESE-UHFFFAOYSA-N 0 0 295.408 3.280 10 30 CGEERN C#CCN(CC#C)Cc1ncc(-c2ccccc2Cl)o1 ZINC000174523248 329159703 /nfs/dbraw/zinc/15/97/03/329159703.db2.gz NHXOZEPFJVTJMF-UHFFFAOYSA-N 0 0 284.746 3.063 10 30 CGEERN C#CCC(C)(C)C(=O)N1CC=C(c2ccccc2F)CC1 ZINC000186132283 329338333 /nfs/dbraw/zinc/33/83/33/329338333.db2.gz NKFQTJNDQZCNSE-UHFFFAOYSA-N 0 0 285.362 3.491 10 30 CGEERN C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@@H]2CCCc3cccnc32)C1 ZINC000192585014 329434477 /nfs/dbraw/zinc/43/44/77/329434477.db2.gz RDPBOKAGLZYOBY-DDUZABMNSA-N 0 0 297.402 3.090 10 30 CGEERN C=CCC(CC=C)C(=O)NC[C@H]1CCN(C)c2ccccc21 ZINC000125848556 329587568 /nfs/dbraw/zinc/58/75/68/329587568.db2.gz XOTDGILNVUYHSA-MRXNPFEDSA-N 0 0 298.430 3.495 10 30 CGEERN COc1cc(CN[C@@H]2CCC[C@H]2C#N)ccc1Cl ZINC000459456247 331282168 /nfs/dbraw/zinc/28/21/68/331282168.db2.gz FOKYFMNEJJSPFE-WCQYABFASA-N 0 0 264.756 3.130 10 30 CGEERN CC(C)(C)c1ccccc1C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000167045787 331307813 /nfs/dbraw/zinc/30/78/13/331307813.db2.gz UKRWSNJJVILQPR-SWLSCSKDSA-N 0 0 270.376 3.406 10 30 CGEERN C=CCN(CCOC)C(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000189529195 333194253 /nfs/dbraw/zinc/19/42/53/333194253.db2.gz XFHJCXVJJUSURH-ZDUSSCGKSA-N 0 0 294.370 3.039 10 30 CGEERN CCn1nccc1C(=O)/C=C\c1ccccc1OC(F)F ZINC000035678788 517886318 /nfs/dbraw/zinc/88/63/18/517886318.db2.gz CGTPIPQGSAVKJH-FPLPWBNLSA-N 0 0 292.285 3.401 10 30 CGEERN CC(C)CN(CCC#N)c1ncnc2ccccc21 ZINC000048935755 519715421 /nfs/dbraw/zinc/71/54/21/519715421.db2.gz IFPLOUYYUONSIY-UHFFFAOYSA-N 0 0 254.337 3.006 10 30 CGEERN CC(C)[C@@H](C#N)C(=O)N[C@H]1CCCc2sccc21 ZINC000061366873 519788673 /nfs/dbraw/zinc/78/86/73/519788673.db2.gz PAVOVASVGVXKNN-NEPJUHHUSA-N 0 0 262.378 3.037 10 30 CGEERN CCCC[C@@H](CC)COCC[C@@H](C#N)NC(C)C ZINC000062442299 521035617 /nfs/dbraw/zinc/03/56/17/521035617.db2.gz YXKPKQPUKMLOOI-CABCVRRESA-N 0 0 254.418 3.500 10 30 CGEERN CNc1nc(-c2ccc(Br)cc2)ccc1C#N ZINC000049886057 522673808 /nfs/dbraw/zinc/67/38/08/522673808.db2.gz UBDDBUSUYRICFY-UHFFFAOYSA-N 0 0 288.148 3.424 10 30 CGEERN CN(Cc1cccs1)C(=O)[C@@H](C#N)c1ccccc1 ZINC000061614476 523445284 /nfs/dbraw/zinc/44/52/84/523445284.db2.gz FRSFOYSSYDMPHJ-AWEZNQCLSA-N 0 0 270.357 3.014 10 30 CGEERN C[C@@H](CC#N)N(C)c1cccc(Br)c1 ZINC000049839629 524338495 /nfs/dbraw/zinc/33/84/95/524338495.db2.gz HQWOSNFITGHISR-VIFPVBQESA-N 0 0 253.143 3.187 10 30 CGEERN C[C@@H](CC#N)C(=O)c1cc(Cl)c2c(c1)OCCCO2 ZINC000048259169 524339237 /nfs/dbraw/zinc/33/92/37/524339237.db2.gz KVGPOFNEZADABD-VIFPVBQESA-N 0 0 279.723 3.234 10 30 CGEERN N#C[C@H](Nc1ccccc1Cl)C1CCOCC1 ZINC000052178752 526510308 /nfs/dbraw/zinc/51/03/08/526510308.db2.gz VDSIMSALMKXJOI-ZDUSSCGKSA-N 0 0 250.729 3.071 10 30 CGEERN N#Cc1ccc(Cn2ncc3ccccc32)c(F)c1 ZINC000050525760 526636814 /nfs/dbraw/zinc/63/68/14/526636814.db2.gz BOUMUFWVLURJPS-UHFFFAOYSA-N 0 0 251.264 3.095 10 30 CGEERN Cc1cc(C#N)ccc1OS(=O)(=O)/C=C\c1ccccc1 ZINC000254957931 617690672 /nfs/dbraw/zinc/69/06/72/617690672.db2.gz LJYIIISMOLHPRT-KTKRTIGZSA-N 0 0 299.351 3.246 10 30 CGEERN C#CCOC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000111676792 618714259 /nfs/dbraw/zinc/71/42/59/618714259.db2.gz GECVRAOFXWAXKI-VHSXEESVSA-N 0 0 269.127 3.273 10 30 CGEERN C#C[C@@H](C)NC(=O)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000186025595 625505162 /nfs/dbraw/zinc/50/51/62/625505162.db2.gz ZXBQILZBLQXVSJ-OLZOCXBDSA-N 0 0 258.365 3.192 10 30 CGEERN C#C[C@H](C)OC(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000174449081 623394356 /nfs/dbraw/zinc/39/43/56/623394356.db2.gz IQHHMMHIDZFXEX-ZWKOPEQDSA-N 0 0 293.160 3.118 10 30 CGEERN CC(=O)[C@@H]1CCCN(c2ccc(C#N)cc2Cl)C1 ZINC000111691316 623726926 /nfs/dbraw/zinc/72/69/26/623726926.db2.gz YCCSAEIRBNMUPZ-GFCCVEGCSA-N 0 0 262.740 3.017 10 30 CGEERN CC(C)(C#N)C(=O)Oc1ccc(F)cc1Br ZINC000075920159 624780452 /nfs/dbraw/zinc/78/04/52/624780452.db2.gz KMUKKTNWHPKRNV-UHFFFAOYSA-N 0 0 286.100 3.043 10 30 CGEERN C#Cc1cccc(N(CC)CC(=O)Nc2ccccc2F)c1 ZINC000103145975 626239331 /nfs/dbraw/zinc/23/93/31/626239331.db2.gz LHLTYVNDIZUYBE-UHFFFAOYSA-N 0 0 296.345 3.272 10 30 CGEERN C=CCOc1ccccc1CNCC(=C)Br ZINC000105453918 635832102 /nfs/dbraw/zinc/83/21/02/635832102.db2.gz WXHQJHBPKQLKAK-UHFFFAOYSA-N 0 0 282.181 3.250 10 30 CGEERN N#C[C@H](C(=O)Cc1cccc(F)c1)c1nc2ccccc2[nH]1 ZINC000046706230 639998655 /nfs/dbraw/zinc/99/86/55/639998655.db2.gz ZLWWPHPIHIVAPH-CYBMUJFWSA-N 0 0 293.301 3.121 10 30 CGEERN CCC1CCC(NC(=O)c2ccccc2OCC#N)CC1 ZINC000194129270 640514081 /nfs/dbraw/zinc/51/40/81/640514081.db2.gz UUTJRUZDCSXBGC-UHFFFAOYSA-N 0 0 286.375 3.288 10 30 CGEERN COc1ccc(O)c(/C=N\Cc2ccc(Cl)cn2)c1 ZINC000588384521 799685873 /nfs/dbraw/zinc/68/58/73/799685873.db2.gz YMWMMLLPOAEUAN-APSNUPSMSA-N 0 0 276.723 3.068 10 30 CGEERN CC#CCCCCOC(=O)/C=C\c1scnc1C ZINC000588522487 799705877 /nfs/dbraw/zinc/70/58/77/799705877.db2.gz VQGANCGAKWUEJS-HJWRWDBZSA-N 0 0 263.362 3.202 10 30 CGEERN O=C1c2cc(F)ccc2SC/C1=C\c1cocn1 ZINC000588561437 799711158 /nfs/dbraw/zinc/71/11/58/799711158.db2.gz QDAGBMQVARPCJQ-FPYGCLRLSA-N 0 0 261.277 3.186 10 30 CGEERN Oc1ccc(/C=N\Cc2ccc(C3CC3)cc2)c(O)c1O ZINC000588577756 799716180 /nfs/dbraw/zinc/71/61/80/799716180.db2.gz JUTCBKLDUPDFCW-ZDLGFXPLSA-N 0 0 283.327 3.300 10 30 CGEERN N#CC[C@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000082825329 178321482 /nfs/dbraw/zinc/32/14/82/178321482.db2.gz JEYUPPIXMSGVJJ-CQSZACIVSA-N 0 0 251.333 3.265 10 30 CGEERN Cc1nnc(N2CC=C(c3cccs3)CC2)c(C#N)c1C ZINC000301305665 136429500 /nfs/dbraw/zinc/42/95/00/136429500.db2.gz YIUDPOZPBANVIR-UHFFFAOYSA-N 0 0 296.399 3.320 10 30 CGEERN CCC[C@@H](CO)Nc1ccc(CC#N)c(C(F)(F)F)c1 ZINC000038328868 344955830 /nfs/dbraw/zinc/95/58/30/344955830.db2.gz QGDRAJXAWCJJMC-LBPRGKRZSA-N 0 0 286.297 3.344 10 30 CGEERN C=C1CC(c2ccccc2)(c2ccccc2)C(=O)O1 ZINC000038525641 344955847 /nfs/dbraw/zinc/95/58/47/344955847.db2.gz PJHQGRVJYVMEKL-UHFFFAOYSA-N 0 0 250.297 3.433 10 30 CGEERN N#Cc1c(Sc2cccc(N)c2)cccc1[N+](=O)[O-] ZINC000039073936 344957179 /nfs/dbraw/zinc/95/71/79/344957179.db2.gz DWACKSULXMTRQZ-UHFFFAOYSA-N 0 0 271.301 3.200 10 30 CGEERN CC[C@H](C#N)Nc1cccc(I)c1 ZINC000043539601 345000095 /nfs/dbraw/zinc/00/00/95/345000095.db2.gz JUARWVMNKJYHCB-SECBINFHSA-N 0 0 286.116 3.005 10 30 CGEERN O=C1N/C(=N/Cc2ccccc2)S[C@@H]1c1ccccc1 ZINC000044175695 345006781 /nfs/dbraw/zinc/00/67/81/345006781.db2.gz IKYDGCVFMGKCMM-CQSZACIVSA-N 0 0 282.368 3.147 10 30 CGEERN N#Cc1ccc(-n2cc(Br)cn2)c(Cl)c1 ZINC000062791496 345240374 /nfs/dbraw/zinc/24/03/74/345240374.db2.gz TZFSFGSCOFQWDA-UHFFFAOYSA-N 0 0 282.528 3.160 10 30 CGEERN N#C[C@H]1CCO[C@H]1c1ccccc1Br ZINC000070672588 345392476 /nfs/dbraw/zinc/39/24/76/345392476.db2.gz WOQBIDBTVQUBQL-LDYMZIIASA-N 0 0 252.111 3.050 10 30 CGEERN COc1ccc(Br)cc1C1(C#N)CCC1 ZINC000084641470 345738941 /nfs/dbraw/zinc/73/89/41/345738941.db2.gz ZOHGJJSAMWGRCV-UHFFFAOYSA-N 0 0 266.138 3.403 10 30 CGEERN N#CC1(Cc2ccccc2)CCC2(CC1)OCCO2 ZINC000116495593 345977954 /nfs/dbraw/zinc/97/79/54/345977954.db2.gz UZHVNAFEWKBUOW-UHFFFAOYSA-N 0 0 257.333 3.056 10 30 CGEERN C=C(C)CN(CC)C(=O)N[C@H](C)c1ccc(C)o1 ZINC000127462767 346031758 /nfs/dbraw/zinc/03/17/58/346031758.db2.gz MBAPNGNVQVYPBH-GFCCVEGCSA-N 0 0 250.342 3.257 10 30 CGEERN N#CC[C@H](O)c1ccc(Cl)c(Br)c1 ZINC000137284495 346093944 /nfs/dbraw/zinc/09/39/44/346093944.db2.gz SNZUQLFZZIIOFL-VIFPVBQESA-N 0 0 260.518 3.050 10 30 CGEERN N#Cc1cc2c(cccc2I)s1 ZINC000142231282 346110536 /nfs/dbraw/zinc/11/05/36/346110536.db2.gz PVICCCOSQWOXBE-UHFFFAOYSA-N 0 0 285.109 3.378 10 30 CGEERN C=C(Br)COCc1ccc(OC)cc1 ZINC000144960784 346118974 /nfs/dbraw/zinc/11/89/74/346118974.db2.gz NNBLMUKMCNCVEG-UHFFFAOYSA-N 0 0 257.127 3.120 10 30 CGEERN O=C(c1ccccc1)N1C[C@@H]2CC/C(=N\O)c3cccc1c32 ZINC000150106278 346132477 /nfs/dbraw/zinc/13/24/77/346132477.db2.gz UMYREPKESJLQOU-FDXCNZBMSA-N 0 0 292.338 3.403 10 30 CGEERN C#CC[C@H](O)c1ccc(Br)cc1Cl ZINC000161064107 346174499 /nfs/dbraw/zinc/17/44/99/346174499.db2.gz ZGDOTXQBLYNALQ-JTQLQIEISA-N 0 0 259.530 3.159 10 30 CGEERN C/C=C/COc1ccc(Br)cc1C#N ZINC000163087812 346180570 /nfs/dbraw/zinc/18/05/70/346180570.db2.gz BHFKHASMDOLCAD-NSCUHMNNSA-N 0 0 252.111 3.276 10 30 CGEERN C=C(Br)Cn1c(=S)[nH]c2ccccc21 ZINC000164000825 346181694 /nfs/dbraw/zinc/18/16/94/346181694.db2.gz XLEYTSTXFMEVQJ-UHFFFAOYSA-N 0 0 269.167 3.234 10 30 CGEERN Cc1c(Br)c(N=[N+]=[N-])ncc1[N+](=O)[O-] ZINC000167058081 346188080 /nfs/dbraw/zinc/18/80/80/346188080.db2.gz HSMBAIVXFFFBCF-UHFFFAOYSA-N 0 0 258.035 3.003 10 30 CGEERN C#CCC(=O)c1ccc(Br)cc1Cl ZINC000167700332 346188711 /nfs/dbraw/zinc/18/87/11/346188711.db2.gz UJZBGTZEHCRKET-UHFFFAOYSA-N 0 0 257.514 3.309 10 30 CGEERN C=C[C@@]1(C)CC(=O)O[C@H](COCc2ccccc2)C1 ZINC000197163995 346277108 /nfs/dbraw/zinc/27/71/08/346277108.db2.gz BJLTUDZBDSRQPV-GOEBONIOSA-N 0 0 260.333 3.101 10 30 CGEERN C[C@]1(c2ccc(-c3ccccc3)cc2)O[C@H](O)C=CC1=O ZINC000216233463 346289947 /nfs/dbraw/zinc/28/99/47/346289947.db2.gz LBGYECMFKCUJMY-ZWKOTPCHSA-N 0 0 280.323 3.043 10 30 CGEERN CC(=O)/C=C(/C)c1ccc(I)cc1 ZINC000232628737 346327281 /nfs/dbraw/zinc/32/72/81/346327281.db2.gz KRJSPZPTDQKXIP-FPLPWBNLSA-N 0 0 286.112 3.284 10 30 CGEERN C=C(C)C(=O)c1ccc(F)cc1I ZINC000232579685 346327314 /nfs/dbraw/zinc/32/73/14/346327314.db2.gz RJDHQHMKGKODNO-UHFFFAOYSA-N 0 0 290.075 3.189 10 30 CGEERN C[C@@H](S)c1ccc(I)cc1 ZINC000235303211 346335268 /nfs/dbraw/zinc/33/52/68/346335268.db2.gz YUMZENMEKWRILG-ZCFIWIBFSA-N 0 0 264.131 3.282 10 30 CGEERN C#C[C@H](NCC)c1ccc(Cl)cc1Br ZINC000233547423 346329755 /nfs/dbraw/zinc/32/97/55/346329755.db2.gz ZHNPEVCXKGKRTC-NSHDSACASA-N 0 0 272.573 3.386 10 30 CGEERN C=C[C@@H](C)Nc1ccc(I)cc1 ZINC000235255461 346334521 /nfs/dbraw/zinc/33/45/21/346334521.db2.gz FGFAUBJECZLLOD-MRVPVSSYSA-N 0 0 273.117 3.278 10 30 CGEERN C[C@H](CC#N)Nc1cc(F)ccc1Br ZINC000232247222 346325235 /nfs/dbraw/zinc/32/52/35/346325235.db2.gz FLVAPDCMBXWAJC-SSDOTTSWSA-N 0 0 257.106 3.302 10 30 CGEERN C#CC(=O)c1cc(Br)cc(Br)c1 ZINC000232479211 346326071 /nfs/dbraw/zinc/32/60/71/346326071.db2.gz MKBBVMUJQDLPJC-UHFFFAOYSA-N 0 0 287.938 3.028 10 30 CGEERN CC(C)(C)OC(=O)N[C@@H](CC=O)c1ccc(Cl)cc1 ZINC000238198273 346348396 /nfs/dbraw/zinc/34/83/96/346348396.db2.gz ALQNSAWWCRGRQX-LBPRGKRZSA-N 0 0 283.755 3.495 10 30 CGEERN COc1cccc(C=Nc2ccc(NC(C)=O)cc2)c1 ZINC000254349950 346394975 /nfs/dbraw/zinc/39/49/75/346394975.db2.gz IGTJVZQQQUGDCX-UHFFFAOYSA-N 0 0 268.316 3.404 10 30 CGEERN N#Cc1ccc(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)c(Cl)c1 ZINC000300438526 346437723 /nfs/dbraw/zinc/43/77/23/346437723.db2.gz SHJXRKDHUPNRRX-JGPRNRPPSA-N 0 0 260.724 3.196 10 30 CGEERN O=C1C=CO[C@@H](c2cccc(F)c2Br)C1 ZINC000307252356 346460831 /nfs/dbraw/zinc/46/08/31/346460831.db2.gz RYWSTTZPDBAHCE-SNVBAGLBSA-N 0 0 271.085 3.132 10 30 CGEERN N#Cc1c(F)cc(Br)c(Br)c1F ZINC000307464353 346462712 /nfs/dbraw/zinc/46/27/12/346462712.db2.gz LPIZHGVZWIRDGF-UHFFFAOYSA-N 0 0 296.896 3.361 10 30 CGEERN C#CCOC(=O)Nc1cc(Br)ccc1Cl ZINC000307690571 346464819 /nfs/dbraw/zinc/46/48/19/346464819.db2.gz OYCONKMCZJGNBT-UHFFFAOYSA-N 0 0 288.528 3.284 10 30 CGEERN N#Cc1c(F)cccc1C(=O)COCc1ccccc1 ZINC000310009233 346470329 /nfs/dbraw/zinc/47/03/29/346470329.db2.gz JLLHSJUCPNEPOJ-UHFFFAOYSA-N 0 0 269.275 3.097 10 30 CGEERN C[C@@H](Nc1ccnc(C#N)n1)c1cccc(Cl)c1 ZINC000310837871 346471981 /nfs/dbraw/zinc/47/19/81/346471981.db2.gz HBJQUYYVMQEQKY-SECBINFHSA-N 0 0 258.712 3.175 10 30 CGEERN N#Cc1cc(C(F)(F)F)cc(C=O)c1C(F)(F)F ZINC000514279383 346638007 /nfs/dbraw/zinc/63/80/07/346638007.db2.gz HMGQGPPKEZMCBI-UHFFFAOYSA-N 0 0 267.128 3.408 10 30 CGEERN CC(=O)c1ccc2c(c1)C(=O)c1cc(C#N)ccc1CC2 ZINC000584638093 346701694 /nfs/dbraw/zinc/70/16/94/346701694.db2.gz PJZKTXJEMZNHSS-UHFFFAOYSA-N 0 0 275.307 3.090 10 30 CGEERN N#C[C@@H](c1ccccc1F)[C@@H](CCO)c1cncs1 ZINC000584639207 346702229 /nfs/dbraw/zinc/70/22/29/346702229.db2.gz BLPSCYFVZPLWEQ-NEPJUHHUSA-N 0 0 276.336 3.056 10 30 CGEERN CCCCCCCO[C@H]1[C@H](CC=O)[C@H]2CC[C@@H]1O2 ZINC000584640490 346702830 /nfs/dbraw/zinc/70/28/30/346702830.db2.gz QLVYLSKHSRJJSJ-KBXIAJHMSA-N 0 0 254.370 3.108 10 30 CGEERN CN(C)/C=C1\C(=O)CC[C@H]1c1ccc(C#N)c(Cl)c1 ZINC000584644555 346703403 /nfs/dbraw/zinc/70/34/03/346703403.db2.gz AQOBFGXDKUYRON-VWLVURMCSA-N 0 0 274.751 3.104 10 30 CGEERN N#Cc1cccc(C#C[C@](O)(C2CCCC2)C2(C#N)CC2)c1 ZINC000584598664 346688924 /nfs/dbraw/zinc/68/89/24/346688924.db2.gz BWLQOLCEFZQKFW-IBGZPJMESA-N 0 0 290.366 3.135 10 30 CGEERN O=[N+]([O-])c1ccc(/C=N/NC(=S)C2CCCCC2)cc1 ZINC000584600631 346688962 /nfs/dbraw/zinc/68/89/62/346688962.db2.gz RLSSLCMSZZSLAB-XNTDXEJSSA-N 0 0 291.376 3.426 10 30 CGEERN COC(=O)CC1=C(c2ccc(Cl)cc2)CCCC1=O ZINC000584616533 346693632 /nfs/dbraw/zinc/69/36/32/346693632.db2.gz VHWAURGSJQFRHZ-UHFFFAOYSA-N 0 0 278.735 3.410 10 30 CGEERN CCCCCCCCC(=O)N(C)CCCC(=O)OC ZINC000103310150 185828140 /nfs/dbraw/zinc/82/81/40/185828140.db2.gz QDMIKBQLZGAIOU-UHFFFAOYSA-N 0 0 271.401 3.149 10 30 CGEERN COc1cc(Nc2cccc(C#N)c2)c(N)cc1F ZINC000104137570 185907702 /nfs/dbraw/zinc/90/77/02/185907702.db2.gz IHTGHJHPYCVGQS-UHFFFAOYSA-N 0 0 257.268 3.032 10 30 CGEERN N#Cc1ccc(N[C@H]2CCC[C@@H](O)C2)cc1C(F)(F)F ZINC000609448868 348344638 /nfs/dbraw/zinc/34/46/38/348344638.db2.gz KJVUSNJLODHSEV-CMPLNLGQSA-N 0 0 284.281 3.292 10 30 CGEERN C=CCN(C)C(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000154018863 188118298 /nfs/dbraw/zinc/11/82/98/188118298.db2.gz MDBFNRIHZZGNCO-SECBINFHSA-N 0 0 270.735 3.368 10 30 CGEERN N#Cc1c(Cl)cc(Cl)c(Cl)c1[N+](=O)[O-] ZINC000098178442 283072849 /nfs/dbraw/zinc/07/28/49/283072849.db2.gz CXKOUZNDZVMSCX-UHFFFAOYSA-N 0 0 251.456 3.427 10 30 CGEERN Cc1nnc(N[C@H](C)Cc2cccc(F)c2)c(C#N)c1C ZINC000301285322 200963204 /nfs/dbraw/zinc/96/32/04/200963204.db2.gz MJIHFWBWVWGGNY-SNVBAGLBSA-N 0 0 284.338 3.147 10 30 CGEERN CCS[C@@H]1CC[C@@]1(O)CNc1ccc(Cl)cc1C#N ZINC000301495796 201030233 /nfs/dbraw/zinc/03/02/33/201030233.db2.gz SUUKTHLKNZRQHB-ZIAGYGMSSA-N 0 0 296.823 3.270 10 30 CGEERN CSc1ccc(CN(C)c2ccc(C#N)nc2)cc1 ZINC000301512976 201040174 /nfs/dbraw/zinc/04/01/74/201040174.db2.gz FRULBXAXYBQGDR-UHFFFAOYSA-N 0 0 269.373 3.312 10 30 CGEERN C[C@H](Nc1ccc(C#N)nn1)c1cccc(Cl)c1 ZINC000301843337 201228022 /nfs/dbraw/zinc/22/80/22/201228022.db2.gz RIGQJYFCEUNZMD-VIFPVBQESA-N 0 0 258.712 3.175 10 30 CGEERN C#CCC(C)(C)C(=O)N[C@H]1CCCc2ccccc21 ZINC000184884064 189398495 /nfs/dbraw/zinc/39/84/95/189398495.db2.gz RXTHAHGQKLZTQU-HNNXBMFYSA-N 0 0 255.361 3.230 10 30 CGEERN N#Cc1ccc(N(CCC(F)(F)F)C2CCCC2)nn1 ZINC000301975988 201285758 /nfs/dbraw/zinc/28/57/58/201285758.db2.gz VYIQFJDEOOMOED-UHFFFAOYSA-N 0 0 284.285 3.050 10 30 CGEERN C[C@@H]1CC[C@H](NC(=O)c2ccnc(C#N)c2)c2ccccc21 ZINC000193670337 189648327 /nfs/dbraw/zinc/64/83/27/189648327.db2.gz PUCRVUHUYRNNNX-PXAZEXFGSA-N 0 0 291.354 3.322 10 30 CGEERN CO[C@H](C)CNc1cc(C#N)c2cc(Cl)ccc2n1 ZINC000302673222 201505438 /nfs/dbraw/zinc/50/54/38/201505438.db2.gz OTTHLKWJYZTLOQ-SECBINFHSA-N 0 0 275.739 3.207 10 30 CGEERN C/C(CS)=N\OC(=O)c1c(C)onc1-c1ccccc1 ZINC000000160044 368306213 /nfs/dbraw/zinc/30/62/13/368306213.db2.gz ILSJVDAQPJBZHG-OQLLNIDSSA-N 0 0 290.344 3.113 10 30 CGEERN CC1(C)CC(=NOC(=O)c2ccccc2)CC(C)(C)N1O ZINC000000431407 368363621 /nfs/dbraw/zinc/36/36/21/368363621.db2.gz GOAHXSWMTGPHHY-UHFFFAOYSA-N 0 0 290.363 3.242 10 30 CGEERN N#C[C@@H](c1cccc(O)c1)[C@H](C#N)c1ccc(O)cc1 ZINC000013470339 368654619 /nfs/dbraw/zinc/65/46/19/368654619.db2.gz BADKZHZZWRDDGZ-CVEARBPZSA-N 0 0 264.284 3.012 10 30 CGEERN N#Cc1ccc2c(c1)-c1[nH]c3ccccc3c1CC(=O)N2 ZINC000013532088 368655693 /nfs/dbraw/zinc/65/56/93/368655693.db2.gz UQYAOCPYYWTPID-UHFFFAOYSA-N 0 0 273.295 3.201 10 30 CGEERN C[C@H]1CN(c2cc(C#N)c3ccccc3n2)CCS1 ZINC000122809821 370907513 /nfs/dbraw/zinc/90/75/13/370907513.db2.gz DBZLESMOUIMACG-NSHDSACASA-N 0 0 269.373 3.048 10 30 CGEERN CN(C)c1c(C#N)cnc2ccc(C(F)(F)F)cc21 ZINC000053994986 369492938 /nfs/dbraw/zinc/49/29/38/369492938.db2.gz AQAPVZZQPCIRLP-UHFFFAOYSA-N 0 0 265.238 3.191 10 30 CGEERN COc1ccc(OCc2ccccc2)c(CCC=O)c1 ZINC000059085709 369577945 /nfs/dbraw/zinc/57/79/45/369577945.db2.gz LMXNTRCLEYQURQ-UHFFFAOYSA-N 0 0 270.328 3.406 10 30 CGEERN CCCn1c2ccccc2nc1CN[C@H]1CCC[C@H]1C#N ZINC000061892709 369610850 /nfs/dbraw/zinc/61/08/50/369610850.db2.gz UOLWAXLOARUULA-KBPBESRZSA-N 0 0 282.391 3.228 10 30 CGEERN CC(C)Oc1ccc(CN[C@@H]2CCC[C@H]2C#N)cc1 ZINC000061892088 369611083 /nfs/dbraw/zinc/61/10/83/369611083.db2.gz CJDVZELHVMLSMC-GOEBONIOSA-N 0 0 258.365 3.256 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NCc1ccccc1OC(F)(F)F ZINC000061891160 369611273 /nfs/dbraw/zinc/61/12/73/369611273.db2.gz KNJQUTIPKVPEIZ-CMPLNLGQSA-N 0 0 284.281 3.367 10 30 CGEERN N#Cc1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)cc1F ZINC000066860177 369707338 /nfs/dbraw/zinc/70/73/38/369707338.db2.gz HJDQVFJTPNPPLF-UHFFFAOYSA-N 0 0 283.218 3.270 10 30 CGEERN C=CCCC(=O)N1C[C@H](c2ccc(OC)cc2)C[C@H]1C ZINC000078188244 369951764 /nfs/dbraw/zinc/95/17/64/369951764.db2.gz WFVNDHRMBNIAIO-UKRRQHHQSA-N 0 0 273.376 3.366 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NCc1sccc1Br ZINC000087575663 370027685 /nfs/dbraw/zinc/02/76/85/370027685.db2.gz SDUXRKOUIUHURD-WCBMZHEXSA-N 0 0 285.210 3.292 10 30 CGEERN Cc1onc2c1C(=O)C(Nc1cccc(Cl)c1)=CC2=O ZINC000100162843 370272567 /nfs/dbraw/zinc/27/25/67/370272567.db2.gz PCNOQAJZQMDKED-UHFFFAOYSA-N 0 0 288.690 3.011 10 30 CGEERN Cc1cccc(NN=C2C(=O)C=Cc3ccccc32)c1 ZINC000100209913 370274158 /nfs/dbraw/zinc/27/41/58/370274158.db2.gz JUDAMXIKKODEKA-HTXNQAPBSA-N 0 0 262.312 3.407 10 30 CGEERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 ZINC000117807705 370598480 /nfs/dbraw/zinc/59/84/80/370598480.db2.gz AYXXZXQGQRXWCC-GQGSAGHOSA-N 0 0 298.386 3.140 10 30 CGEERN C[C@H]1CN(c2cccc(Cl)c2C#N)CCS1 ZINC000135600486 371438788 /nfs/dbraw/zinc/43/87/88/371438788.db2.gz FONLAGNINAWLDG-VIFPVBQESA-N 0 0 252.770 3.153 10 30 CGEERN CC(C)c1ccc([C@@H](C)NS(=O)(=O)CCCC#N)cc1 ZINC000171979144 372873603 /nfs/dbraw/zinc/87/36/03/372873603.db2.gz KIHQJQWPHXOEDH-CYBMUJFWSA-N 0 0 294.420 3.094 10 30 CGEERN CCC[C@]1(COC)CCCN1c1ccc(Cl)c(C#N)n1 ZINC000302816065 373971480 /nfs/dbraw/zinc/97/14/80/373971480.db2.gz IGSMPALXLQFDCK-OAHLLOKOSA-N 0 0 293.798 3.392 10 30 CGEERN C[C@]1(C=O)CC[C@H](c2sccc2Br)O1 ZINC000307267000 374145679 /nfs/dbraw/zinc/14/56/79/374145679.db2.gz IDUFGFZIQOGRBZ-PSASIEDQSA-N 0 0 275.167 3.320 10 30 CGEERN CCCc1n[nH]cc1C(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C ZINC000328612553 374370317 /nfs/dbraw/zinc/37/03/17/374370317.db2.gz PCPODMURLOGGLB-RISCZKNCSA-N 0 0 293.411 3.118 10 30 CGEERN CC(C)[C@@H]1OCC[C@@H]1CNC(=O)C[C@H]1CCCCNC1=O ZINC000329274742 374402224 /nfs/dbraw/zinc/40/22/24/374402224.db2.gz JOCMUAJHHZIWFX-NFAWXSAZSA-N 0 0 296.411 3.151 10 30 CGEERN CC1(C)CC[C@H](NC(=O)N[C@@H]2CCC(=O)NC23CCC3)C1 ZINC000328728342 374378697 /nfs/dbraw/zinc/37/86/97/374378697.db2.gz DSTDPZJSTYPMPR-NWDGAFQWSA-N 0 0 293.411 3.110 10 30 CGEERN CSC1(C(=O)N[C@@H]2CCC(=O)NC23CCC3)CCC1 ZINC000328728428 374378750 /nfs/dbraw/zinc/37/87/50/374378750.db2.gz DVYVWPULLHCYFU-SNVBAGLBSA-N 0 0 282.409 3.270 10 30 CGEERN CC(C)COc1ccc(NC(=O)N2C[C@H]3CCC[C@@H]32)cn1 ZINC000329949382 374444344 /nfs/dbraw/zinc/44/43/44/374444344.db2.gz ZXNDCHXZRIUUHA-OCCSQVGLSA-N 0 0 289.379 3.146 10 30 CGEERN C=CC[C@@H](CO)NC(=O)[C@H](C)c1ccc(CC(C)C)cc1 ZINC000185869267 374756577 /nfs/dbraw/zinc/75/65/77/374756577.db2.gz YPXVZRNHUFZUKI-PBHICJAKSA-N 0 0 289.419 3.042 10 30 CGEERN N#Cc1cccnc1-n1cc(N[C@H]2CCC23CCCC3)cn1 ZINC000189221183 375343512 /nfs/dbraw/zinc/34/35/12/375343512.db2.gz JOYXBYCXZHMCNB-HNNXBMFYSA-N 0 0 293.374 3.274 10 30 CGEERN Cc1nc([C@@H]2CCCN2Cc2ccc(C#N)o2)cs1 ZINC000189931043 375459936 /nfs/dbraw/zinc/45/99/36/375459936.db2.gz HVOCQMBMXLZFAV-AWEZNQCLSA-N 0 0 273.361 3.253 10 30 CGEERN CCC1CCC(NC(=O)N2CCC(C)(C#N)CC2)CC1 ZINC000335868896 375498076 /nfs/dbraw/zinc/49/80/76/375498076.db2.gz KHVJVWQSXDPHKM-UHFFFAOYSA-N 0 0 277.412 3.290 10 30 CGEERN CC1=C2CCN(C(=O)OC(C)(C)C)C[C@@H]2[C@@H](C)CC1=O ZINC000223348959 376252486 /nfs/dbraw/zinc/25/24/86/376252486.db2.gz DPKUCKKWQFUGSJ-GXFFZTMASA-N 0 0 279.380 3.169 10 30 CGEERN CS[C@@H]1CC[C@@H](Nc2cc(C)nc(C)c2C#N)C1 ZINC000227593961 376401272 /nfs/dbraw/zinc/40/12/72/376401272.db2.gz SLRVRJPIPOXALH-VXGBXAGGSA-N 0 0 261.394 3.266 10 30 CGEERN Cc1cc([C@@H](C)Nc2ccc([N+](=O)[O-])c(C#N)n2)c(C)o1 ZINC000235259682 376636537 /nfs/dbraw/zinc/63/65/37/376636537.db2.gz GRMJQIVIQSHVCF-SECBINFHSA-N 0 0 286.291 3.244 10 30 CGEERN CC#CCNC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000135968351 542089186 /nfs/dbraw/zinc/08/91/86/542089186.db2.gz DUELAVOLNYWVHT-ZDUSSCGKSA-N 0 0 266.344 3.223 10 30 CGEERN ON=C1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000242592437 376782934 /nfs/dbraw/zinc/78/29/34/376782934.db2.gz OUPRRQJFXORULA-UHFFFAOYSA-N 0 0 262.309 3.464 10 30 CGEERN C[C@@H]1CCC[C@](C#N)(NC(=O)[C@H]2CCOc3ccccc32)C1 ZINC000247543770 377221514 /nfs/dbraw/zinc/22/15/14/377221514.db2.gz RFAAQGXHSUFWAA-XUWXXGDYSA-N 0 0 298.386 3.141 10 30 CGEERN CCOC(=O)c1cc(CC)cc(C#N)c1C(F)(F)F ZINC000575389823 377897659 /nfs/dbraw/zinc/89/76/59/377897659.db2.gz PZKKUYPYMKJMHZ-UHFFFAOYSA-N 0 0 271.238 3.316 10 30 CGEERN CCOC(=O)Cc1ccc(C(F)(F)F)c(CC)c1C#N ZINC000575389833 377897762 /nfs/dbraw/zinc/89/77/62/377897762.db2.gz QSFVSLFXNKWWPH-UHFFFAOYSA-N 0 0 285.265 3.245 10 30 CGEERN CCOC(=O)Cc1cc(C#N)c(CC)c(C(F)F)c1 ZINC000575389389 377897847 /nfs/dbraw/zinc/89/78/47/377897847.db2.gz FQNGWTMJWZRJOZ-UHFFFAOYSA-N 0 0 267.275 3.164 10 30 CGEERN CCOC(=O)c1c(Cl)cc(C#N)cc1OC(F)(F)F ZINC000575382888 377892646 /nfs/dbraw/zinc/89/26/46/377892646.db2.gz NXOOSWUNEFKHRM-UHFFFAOYSA-N 0 0 293.628 3.287 10 30 CGEERN CCOC(=O)Cc1ccc(Cl)c(C#N)c1C(F)(F)F ZINC000575383551 377895277 /nfs/dbraw/zinc/89/52/77/377895277.db2.gz ZXUHELIBUOUXAR-UHFFFAOYSA-N 0 0 291.656 3.336 10 30 CGEERN CCOC(=O)c1ccc(CC)c(C(F)F)c1C#N ZINC000575389336 377897592 /nfs/dbraw/zinc/89/75/92/377897592.db2.gz ACRQTLIDFMGYLW-UHFFFAOYSA-N 0 0 253.248 3.235 10 30 CGEERN N#CCc1cc(OC(F)F)c(C#N)c(OC(F)(F)F)c1 ZINC000575639295 377925409 /nfs/dbraw/zinc/92/54/09/377925409.db2.gz GUQPFPMGFYBVSK-UHFFFAOYSA-N 0 0 292.163 3.124 10 30 CGEERN CCOc1cc(C(F)F)c(OCC)cc1CC#N ZINC000575646929 377927235 /nfs/dbraw/zinc/92/72/35/377927235.db2.gz BXXIXUNVHYRKHD-UHFFFAOYSA-N 0 0 255.264 3.488 10 30 CGEERN N#CCc1cc(OC(F)F)c(F)cc1Br ZINC000575681000 377955997 /nfs/dbraw/zinc/95/59/97/377955997.db2.gz XATHMEMCZQHHDP-UHFFFAOYSA-N 0 0 280.043 3.256 10 30 CGEERN N#CCc1cc(O)c(OC(F)F)c(C(F)(F)F)c1 ZINC000575661258 377937102 /nfs/dbraw/zinc/93/71/02/377937102.db2.gz BWIKNRGUJJPCQS-UHFFFAOYSA-N 0 0 267.153 3.078 10 30 CGEERN COc1cc(CC#N)c(C(F)(F)F)c(OC(F)F)c1 ZINC000575664511 377939380 /nfs/dbraw/zinc/93/93/80/377939380.db2.gz HOWPVARDKHHERE-UHFFFAOYSA-N 0 0 281.180 3.381 10 30 CGEERN Cc1c(OC(F)F)cc(C#N)cc1C(F)(F)F ZINC000575666693 377944338 /nfs/dbraw/zinc/94/43/38/377944338.db2.gz XSQYZJFKEXQXTI-UHFFFAOYSA-N 0 0 251.154 3.487 10 30 CGEERN COc1ccc(Cl)c(Br)c1CC#N ZINC000575674276 377949586 /nfs/dbraw/zinc/94/95/86/377949586.db2.gz QQZRBFJBIUEXCL-UHFFFAOYSA-N 0 0 260.518 3.177 10 30 CGEERN COC(=O)c1cc(C#N)cc(SC(F)(F)F)c1C ZINC000575394765 377902170 /nfs/dbraw/zinc/90/21/70/377902170.db2.gz NUHVNBDVOSKJTK-UHFFFAOYSA-N 0 0 275.251 3.265 10 30 CGEERN Fc1cc(OC(F)F)cc(F)c1OC(F)(F)F ZINC000575396784 377903585 /nfs/dbraw/zinc/90/35/85/377903585.db2.gz LMEOCHVQNVCWSZ-UHFFFAOYSA-N 0 0 264.096 3.465 10 30 CGEERN Nc1cc(F)cc(C(F)(F)F)c1OC(F)(F)F ZINC000575397358 377904913 /nfs/dbraw/zinc/90/49/13/377904913.db2.gz OGRLAETWDZLBDE-UHFFFAOYSA-N 0 0 263.112 3.325 10 30 CGEERN COc1c(Cl)c(C)c(Br)cc1/C=N/O ZINC000575421682 377907460 /nfs/dbraw/zinc/90/74/60/377907460.db2.gz BPTNTICDHYLDBV-UUILKARUSA-N 0 0 278.533 3.228 10 30 CGEERN N#Cc1ccc(F)c(Br)c1OC(F)F ZINC000575680698 377954499 /nfs/dbraw/zinc/95/44/99/377954499.db2.gz UORGVVJFJMLTCO-UHFFFAOYSA-N 0 0 266.016 3.061 10 30 CGEERN N#CCCNc1cccc(Br)c1Cl ZINC000575479106 377915043 /nfs/dbraw/zinc/91/50/43/377915043.db2.gz DZOBMWJVJOADAC-UHFFFAOYSA-N 0 0 259.534 3.428 10 30 CGEERN C[C@@H]1CC(C)(C)C[C@]1(C#N)NC(=O)OC(C)(C)C ZINC000575496055 377915156 /nfs/dbraw/zinc/91/51/56/377915156.db2.gz CZRSMRYCBRTRFE-QMTHXVAHSA-N 0 0 252.358 3.230 10 30 CGEERN N#CCc1cc(F)c(OC(F)F)cc1Br ZINC000575680372 377955071 /nfs/dbraw/zinc/95/50/71/377955071.db2.gz OXXMFMUPNMEFJC-UHFFFAOYSA-N 0 0 280.043 3.256 10 30 CGEERN N#CCc1c(O)c(Br)ccc1C(F)F ZINC000575684749 377959021 /nfs/dbraw/zinc/95/90/21/377959021.db2.gz HQYQBRAAPAMJLM-UHFFFAOYSA-N 0 0 262.053 3.158 10 30 CGEERN N#CCc1cc(C(F)F)c(Br)cc1O ZINC000575685423 377960431 /nfs/dbraw/zinc/96/04/31/377960431.db2.gz KVGVNKNKHRHUPG-UHFFFAOYSA-N 0 0 262.053 3.158 10 30 CGEERN N#Cc1ccc(Br)c(F)c1C(F)(F)F ZINC000575688774 377964486 /nfs/dbraw/zinc/96/44/86/377964486.db2.gz QMNSFJDVTSDPDD-UHFFFAOYSA-N 0 0 268.007 3.479 10 30 CGEERN N#Cc1c(F)ccc(Br)c1C(F)(F)F ZINC000575689856 377965639 /nfs/dbraw/zinc/96/56/39/377965639.db2.gz ITGZKFZRPRNWDR-UHFFFAOYSA-N 0 0 268.007 3.479 10 30 CGEERN CCc1c(C)ccc(CC#N)c1I ZINC000575705054 377978450 /nfs/dbraw/zinc/97/84/50/377978450.db2.gz DSVYRXQMZRTVOR-UHFFFAOYSA-N 0 0 285.128 3.228 10 30 CGEERN C[C@H]1C[C@H](c2noc(-c3cc(C#N)c[nH]3)n2)C[C@@H](C)C1 ZINC000408227382 379999594 /nfs/dbraw/zinc/99/95/94/379999594.db2.gz SHINKVBSHAIDDY-IAZYJMLFSA-N 0 0 270.336 3.476 10 30 CGEERN C[C@H]1C[C@H](c2noc(-c3cc(C#N)cn3C)n2)C[C@@H](C)C1 ZINC000408225684 380000057 /nfs/dbraw/zinc/00/00/57/380000057.db2.gz KCJGEGUJISAYPS-PJXYFTJBSA-N 0 0 284.363 3.486 10 30 CGEERN CCOC(=O)[C@]1(CCCc2ccccc2)OC1(C)C ZINC000040818120 184549236 /nfs/dbraw/zinc/54/92/36/184549236.db2.gz XEUPCIRNFOZUKM-INIZCTEOSA-N 0 0 262.349 3.120 10 30 CGEERN Cc1cnc([C@H](C)NC(=O)N2CC(C)(C)[C@H]2C2CC2)o1 ZINC000329616856 542447637 /nfs/dbraw/zinc/44/76/37/542447637.db2.gz PZEWIPMICRKZCI-CMPLNLGQSA-N 0 0 277.368 3.078 10 30 CGEERN CC(C)c1scnc1NC(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000329565865 542447877 /nfs/dbraw/zinc/44/78/77/542447877.db2.gz ONBLFHHARYXWLV-NXEZZACHSA-N 0 0 278.381 3.285 10 30 CGEERN Cc1ccc(NC(=O)N[C@H]2CCC[C@@H]2C#N)cc1Cl ZINC000061889416 262404979 /nfs/dbraw/zinc/40/49/79/262404979.db2.gz NWYCCPCCPMKYTI-MFKMUULPSA-N 0 0 277.755 3.462 10 30 CGEERN CO[C@]1(C)C[C@H](NC(=O)C[C@@H]2CCCCNC2=O)C1(C)C ZINC000329265579 533376220 /nfs/dbraw/zinc/37/62/20/533376220.db2.gz FGPPAFXVNJNVHY-MQIPJXDCSA-N 0 0 296.411 3.293 10 30 CGEERN C[C@@H](CC1CC1)NC(=O)NCc1nnc(C(C)(C)C)s1 ZINC000329852667 533499550 /nfs/dbraw/zinc/49/95/50/533499550.db2.gz UYDGEOIEYKATBP-VIFPVBQESA-N 0 0 296.440 3.028 10 30 CGEERN C=C(C)C[C@H](C)C(=O)N1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000366195887 392451576 /nfs/dbraw/zinc/45/15/76/392451576.db2.gz WQWCGCYZAGGULE-YQQAZPJKSA-N 0 0 290.407 3.043 10 30 CGEERN N#Cc1ccc(Cl)cc1NCCC1=CCOCC1 ZINC000158077906 392554374 /nfs/dbraw/zinc/55/43/74/392554374.db2.gz WRJLTLZDKALRSM-UHFFFAOYSA-N 0 0 262.740 3.360 10 30 CGEERN Cn1cc(/C=C2\CCOc3cc(F)ccc3C2=O)cc1C#N ZINC000191337006 392830512 /nfs/dbraw/zinc/83/05/12/392830512.db2.gz FHMFVTVSTCYJKL-WUXMJOGZSA-N 0 0 296.301 3.085 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000408330219 392972340 /nfs/dbraw/zinc/97/23/40/392972340.db2.gz LPKYQKYEIBKGJF-XQLPTFJDSA-N 0 0 260.381 3.011 10 30 CGEERN N#C[C@@H]1CCC[C@H]1Nc1ncnc2sc3c(c21)CCC3 ZINC000408330158 392972209 /nfs/dbraw/zinc/97/22/09/392972209.db2.gz QLSNFASTDURSTD-GXSJLCMTSA-N 0 0 284.388 3.284 10 30 CGEERN N#CCc1cc(C(F)(F)F)cc(OC(F)F)c1C#N ZINC000575638002 393203208 /nfs/dbraw/zinc/20/32/08/393203208.db2.gz CDMQBRWIYCKERK-UHFFFAOYSA-N 0 0 276.164 3.245 10 30 CGEERN N#Cc1ccc(NCc2c(F)cccc2F)c([N+](=O)[O-])c1 ZINC000096600934 165399264 /nfs/dbraw/zinc/39/92/64/165399264.db2.gz AMUFBHQRZJIKKO-UHFFFAOYSA-N 0 0 289.241 3.357 10 30 CGEERN N#Cc1ccc(CNC(=O)N2CCC[C@@H]2c2ccco2)cc1 ZINC000172113888 165521662 /nfs/dbraw/zinc/52/16/62/165521662.db2.gz IFLUVJYMZFRWKK-OAHLLOKOSA-N 0 0 295.342 3.198 10 30 CGEERN C=C[C@H]([C@@H](O)c1ccc(C)cc1)n1nnc2ccccc21 ZINC000005416221 170096351 /nfs/dbraw/zinc/09/63/51/170096351.db2.gz VKCVSTIYYRKGRJ-WBVHZDCISA-N 0 0 279.343 3.200 10 30 CGEERN C=C[C@@H]([C@@H](O)c1ccc(C)cc1)n1nc2ccccc2n1 ZINC000005416293 170096499 /nfs/dbraw/zinc/09/64/99/170096499.db2.gz HWKWPDMESBOERX-IRXDYDNUSA-N 0 0 279.343 3.200 10 30 CGEERN Cc1cccc(/C=C/C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000005418216 170096980 /nfs/dbraw/zinc/09/69/80/170096980.db2.gz AWMRZIZNWUQMIM-AATRIKPKSA-N 0 0 257.245 3.392 10 30 CGEERN O=c1sc(N=NCc2ccccc2)nc2ccccc21 ZINC000005734865 170135400 /nfs/dbraw/zinc/13/54/00/170135400.db2.gz PWWKLDXKQUYVBE-MHWRWJLKSA-N 0 0 281.340 3.103 10 30 CGEERN C[C@@H](Oc1ccc(C#N)cc1Cl)C(=O)NC1CCCC1 ZINC000007856990 170305110 /nfs/dbraw/zinc/30/51/10/170305110.db2.gz YROYAXDUJSMFCG-SNVBAGLBSA-N 0 0 292.766 3.038 10 30 CGEERN COc1cccc(C=NNc2ccccc2C)c1OC ZINC000007892115 170306451 /nfs/dbraw/zinc/30/64/51/170306451.db2.gz MRKRROOTXKRRMN-GZTJUZNOSA-N 0 0 270.332 3.458 10 30 CGEERN C[C@@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1ccco1 ZINC000007903840 170306812 /nfs/dbraw/zinc/30/68/12/170306812.db2.gz BMNCIUZOIPKBAZ-SECBINFHSA-N 0 0 257.249 3.233 10 30 CGEERN N/C(=N\O)c1ccc(COc2ccccc2Cl)cc1 ZINC000019472319 170805621 /nfs/dbraw/zinc/80/56/21/170805621.db2.gz JSLZDUHQJVERNO-UHFFFAOYSA-N 0 0 276.723 3.014 10 30 CGEERN C[C@@H](Nc1ccccc1C#N)c1cc(O)ccc1O ZINC000019921649 170928646 /nfs/dbraw/zinc/92/86/46/170928646.db2.gz BOHHEOIFEUDBND-SNVBAGLBSA-N 0 0 254.289 3.143 10 30 CGEERN C/C(=N\O)c1ccc(NC(=O)c2ccc(C)o2)cc1 ZINC000020252644 171105212 /nfs/dbraw/zinc/10/52/12/171105212.db2.gz LEOLUSVJESPLAO-MHWRWJLKSA-N 0 0 258.277 3.039 10 30 CGEERN C=CCn1c(CC)nnc1SC1CCCCC1 ZINC000020425803 171192035 /nfs/dbraw/zinc/19/20/35/171192035.db2.gz VYXIVPXGMJUQIO-UHFFFAOYSA-N 0 0 251.399 3.451 10 30 CGEERN CCC(C)(C)O[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000020514757 171232105 /nfs/dbraw/zinc/23/21/05/171232105.db2.gz OCOLUUGUOQDDCN-LLVKDONJSA-N 0 0 260.337 3.090 10 30 CGEERN Cc1ccc(C=NNc2ccc([N+](=O)[O-])cc2)s1 ZINC000020754428 171271883 /nfs/dbraw/zinc/27/18/83/171271883.db2.gz KNWIYJMMAJZCTP-MDWZMJQESA-N 0 0 261.306 3.411 10 30 CGEERN N#Cc1ccc(C(=O)Nc2ccc(Cl)c(N)c2)cc1 ZINC000022223845 171379761 /nfs/dbraw/zinc/37/97/61/171379761.db2.gz MFLRBVNDWFQNKL-UHFFFAOYSA-N 0 0 271.707 3.046 10 30 CGEERN N#CNC(=NC1CCCCCCC1)Nc1ccncc1 ZINC000026576897 171493559 /nfs/dbraw/zinc/49/35/59/171493559.db2.gz CTKDDIUHAMTXOQ-UHFFFAOYSA-N 0 0 271.368 3.033 10 30 CGEERN N#CCOc1cccc(CNc2ccc(F)cc2)c1 ZINC000037210523 173032805 /nfs/dbraw/zinc/03/28/05/173032805.db2.gz JTAZOOQNLRZRKR-UHFFFAOYSA-N 0 0 256.280 3.340 10 30 CGEERN COC(=O)c1ccc(CNc2ccc(C#N)c(Cl)c2)o1 ZINC000037253497 173064135 /nfs/dbraw/zinc/06/41/35/173064135.db2.gz UNMOXSODUQZKKS-UHFFFAOYSA-N 0 0 290.706 3.203 10 30 CGEERN N#Cc1cc(N)cnc1Nc1ccc(Br)cc1 ZINC000037758992 173683653 /nfs/dbraw/zinc/68/36/53/173683653.db2.gz BJPTZEPTMVCZLH-UHFFFAOYSA-N 0 0 289.136 3.042 10 30 CGEERN CC(C)CN[C@H](C#N)c1ccc(OC(F)F)cc1 ZINC000037939208 173878650 /nfs/dbraw/zinc/87/86/50/173878650.db2.gz PXSMIZIJCXRBRC-GFCCVEGCSA-N 0 0 254.280 3.098 10 30 CGEERN N#C[C@H](NC1CCCCC1)c1ccc(F)c(F)c1 ZINC000037969266 173917400 /nfs/dbraw/zinc/91/74/00/173917400.db2.gz MVGNIQPILGFQFP-AWEZNQCLSA-N 0 0 250.292 3.452 10 30 CGEERN N#C[C@@]1(N2CCCCCC2)CCOc2ccccc21 ZINC000038086087 174096741 /nfs/dbraw/zinc/09/67/41/174096741.db2.gz DJVPOCXQDDJPGR-INIZCTEOSA-N 0 0 256.349 3.064 10 30 CGEERN N#C[C@H](NC(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000040215147 174204364 /nfs/dbraw/zinc/20/43/64/174204364.db2.gz ZFUMUQULICHQRL-AWEZNQCLSA-N 0 0 270.719 3.335 10 30 CGEERN C=CCNc1ncnc(N(CC)c2cccc(C)c2)c1N ZINC000040661727 174366107 /nfs/dbraw/zinc/36/61/07/174366107.db2.gz OPOOQTQRDYNYLI-UHFFFAOYSA-N 0 0 283.379 3.123 10 30 CGEERN CC(C)N(CCC#N)Cc1ccc(N)cc1Br ZINC000042528600 174778673 /nfs/dbraw/zinc/77/86/73/174778673.db2.gz FFMMTFSLWXSPOJ-UHFFFAOYSA-N 0 0 296.212 3.155 10 30 CGEERN N#Cc1cc(N)cnc1Nc1ccc(Cl)cc1F ZINC000042587499 174809443 /nfs/dbraw/zinc/80/94/43/174809443.db2.gz MGRKUSAMRBMBPB-UHFFFAOYSA-N 0 0 262.675 3.072 10 30 CGEERN C=C(Br)Cc1cccc(OC)c1OC ZINC000043208783 174983600 /nfs/dbraw/zinc/98/36/00/174983600.db2.gz FFYKOCLSPSXGCL-UHFFFAOYSA-N 0 0 257.127 3.155 10 30 CGEERN Cc1nc(C)c([C@@H](C)NC(=O)C2(C#N)CCCC2)s1 ZINC000044352566 175166355 /nfs/dbraw/zinc/16/63/55/175166355.db2.gz IGEFNCMJIZHWFH-SNVBAGLBSA-N 0 0 277.393 3.021 10 30 CGEERN CC[C@H](C)SCc1ccc(F)c(C#CCO)c1 ZINC000049622370 175495339 /nfs/dbraw/zinc/49/53/39/175495339.db2.gz POXVBTYLMSAKNI-NSHDSACASA-N 0 0 252.354 3.201 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000336081689 228185837 /nfs/dbraw/zinc/18/58/37/228185837.db2.gz SRURDJAKSHAHFR-RISCZKNCSA-N 0 0 288.778 3.180 10 30 CGEERN N#C[C@H]1CCC[C@H]1NCc1cccc(C(F)F)c1 ZINC000156007660 260777716 /nfs/dbraw/zinc/77/77/16/260777716.db2.gz WWUMTNWNFNUGGF-CHWSQXEVSA-N 0 0 250.292 3.406 10 30 CGEERN N#CC1(NC(=O)CCOc2ccc(Cl)cc2)CCCC1 ZINC000104524835 261296150 /nfs/dbraw/zinc/29/61/50/261296150.db2.gz FXCIIKITGQVPKX-UHFFFAOYSA-N 0 0 292.766 3.061 10 30 CGEERN CN(C(=O)[C@@H]1C[C@H]1C1CCCCC1)C1(C#N)CCC1 ZINC000161613737 262317930 /nfs/dbraw/zinc/31/79/30/262317930.db2.gz RUGPTSBYVXMGMX-UONOGXRCSA-N 0 0 260.381 3.107 10 30 CGEERN O=C(Nc1ccc(OC(F)F)nc1)N1CC[C@@H]2CCC[C@H]21 ZINC000328707689 263847196 /nfs/dbraw/zinc/84/71/96/263847196.db2.gz QDABYCXFMNGUQQ-GXSJLCMTSA-N 0 0 297.305 3.103 10 30 CGEERN C[C@H](NC(=O)C[C@@H]1CCCCNC1=O)c1cccnc1 ZINC000328765714 263858400 /nfs/dbraw/zinc/85/84/00/263858400.db2.gz GWSXOSOKOMYZDX-RYUDHWBXSA-N 0 0 275.352 3.246 10 30 CGEERN COc1cc(C(=O)NCC2(C3CC3)CCC2)cc(C)n1 ZINC000328822401 263868503 /nfs/dbraw/zinc/86/85/03/263868503.db2.gz PEMAIPJVXQWXEE-UHFFFAOYSA-N 0 0 274.364 3.284 10 30 CGEERN CC(C)(C)OC(=O)N1CC[C@@]2(CC[C@H](CS)C2)C1 ZINC000095084648 277192444 /nfs/dbraw/zinc/19/24/44/277192444.db2.gz GBTFOCOZERFEOQ-SMDDNHRTSA-N 0 0 271.426 3.344 10 30 CGEERN CO[C@H]1CCC[C@H](Nc2c(F)cc(C#N)cc2F)C1 ZINC000301775254 277740230 /nfs/dbraw/zinc/74/02/30/277740230.db2.gz LAIKRYTXTWWCFZ-QWRGUYRKSA-N 0 0 266.291 3.206 10 30 CGEERN C[C@H]1CCN(C(=O)NCc2ccc(C#N)cc2)C[C@@H](C)C1 ZINC000121519881 278359383 /nfs/dbraw/zinc/35/93/83/278359383.db2.gz VPOYMYKPQCBVKU-KBPBESRZSA-N 0 0 285.391 3.136 10 30 CGEERN C[C@H]1c2ccccc2O[C@H]1C(=O)Oc1ccc(C#N)cc1F ZINC000158119129 278547996 /nfs/dbraw/zinc/54/79/96/278547996.db2.gz FTIWDBKEGCCMPM-MGPLVRAMSA-N 0 0 297.285 3.167 10 30 CGEERN CCC1(c2ccccc2)CN(C(=O)N[C@@H]2CCC[C@@H]2C#N)C1 ZINC000333625773 278647997 /nfs/dbraw/zinc/64/79/97/278647997.db2.gz QGXPNYGLFPDCDG-GDBMZVCRSA-N 0 0 297.402 3.052 10 30 CGEERN O/N=C\[C@]1(c2nccc3ccccc32)C=CC=CC1 ZINC000090741622 279717691 /nfs/dbraw/zinc/71/76/91/279717691.db2.gz JZBXIZFZADYXNF-JIHKLPAASA-N 0 0 250.301 3.449 10 30 CGEERN CC1(C)CN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)[C@H]2CCC[C@H]21 ZINC000333186951 281188159 /nfs/dbraw/zinc/18/81/59/281188159.db2.gz NBTBIYKEHJVVMY-XQLPTFJDSA-N 0 0 289.423 3.289 10 30 CGEERN CC[Si](C#Cc1cnc2[nH]cnc2c1)(CC)CC ZINC000196344016 281360393 /nfs/dbraw/zinc/36/03/93/281360393.db2.gz QDTKDMGNHOBMGQ-UHFFFAOYSA-N 0 0 257.413 3.357 10 30 CGEERN N#Cc1ccc(N2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000105989617 294921710 /nfs/dbraw/zinc/92/17/10/294921710.db2.gz IBWHMLMKLOBVSL-LLVKDONJSA-N 0 0 254.255 3.337 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NCc1cccc(F)c1Br ZINC000382668218 327878667 /nfs/dbraw/zinc/87/86/67/327878667.db2.gz VHWCBTHPCNOEQE-CABZTGNLSA-N 0 0 297.171 3.370 10 30 CGEERN C[C@@H](C#N)N1CCC(Oc2ccccc2Cl)CC1 ZINC000182248270 329241392 /nfs/dbraw/zinc/24/13/92/329241392.db2.gz MBEFRFFDSQGUON-NSHDSACASA-N 0 0 264.756 3.095 10 30 CGEERN C=C(C)COc1cccc(NC(=O)N[C@H]2C[C@@H]2C)c1 ZINC000076037321 328485435 /nfs/dbraw/zinc/48/54/35/328485435.db2.gz UTQARGFTGWMYHT-FZMZJTMJSA-N 0 0 260.337 3.171 10 30 CGEERN N#C[C@H]1CCC[C@H]1NCc1sccc1Br ZINC000087575661 326992882 /nfs/dbraw/zinc/99/28/82/326992882.db2.gz SDUXRKOUIUHURD-PSASIEDQSA-N 0 0 285.210 3.292 10 30 CGEERN C=CCCC(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000173406813 329146756 /nfs/dbraw/zinc/14/67/56/329146756.db2.gz LYUVKLFFLURPPF-LBPRGKRZSA-N 0 0 264.394 3.124 10 30 CGEERN C=C(C)CN(C)C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000183419584 329247517 /nfs/dbraw/zinc/24/75/17/329247517.db2.gz GULXFCGEOUILGN-HNNXBMFYSA-N 0 0 276.355 3.421 10 30 CGEERN N#CCC(=O)NC[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000184685932 329262187 /nfs/dbraw/zinc/26/21/87/329262187.db2.gz LFBSKFNTGVVGTP-LDYMZIIASA-N 0 0 283.158 3.127 10 30 CGEERN C=CCCC(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@H]1C ZINC000078188242 329947438 /nfs/dbraw/zinc/94/74/38/329947438.db2.gz WFVNDHRMBNIAIO-HIFRSBDPSA-N 0 0 273.376 3.366 10 30 CGEERN C=CCOCCCC(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000088234058 333087343 /nfs/dbraw/zinc/08/73/43/333087343.db2.gz SFCQMSBTVUPKMR-ZDUSSCGKSA-N 0 0 279.355 3.294 10 30 CGEERN CCCCCCCOc1ccc(/C(N)=N/O)cc1F ZINC000059412970 520061984 /nfs/dbraw/zinc/06/19/84/520061984.db2.gz QBDITEGGDUKBCZ-UHFFFAOYSA-N 0 0 268.332 3.269 10 30 CGEERN CCOC(=O)O/N=C(/C(=O)c1ccccc1)c1ccccc1 ZINC000002166389 520997919 /nfs/dbraw/zinc/99/79/19/520997919.db2.gz OCLNYWSLIPQUJX-OBGWFSINSA-N 0 0 297.310 3.447 10 30 CGEERN CC[C@H]1CCCCN1c1ccc(/C(N)=N/O)cc1Cl ZINC000062794430 523032609 /nfs/dbraw/zinc/03/26/09/523032609.db2.gz MCFRIYUWZDUYCM-NSHDSACASA-N 0 0 281.787 3.203 10 30 CGEERN COCCN(c1cccc(Cl)c1C#N)[C@@H](C)C1CC1 ZINC000052908923 523783900 /nfs/dbraw/zinc/78/39/00/523783900.db2.gz KTAFLGKUUMETPD-NSHDSACASA-N 0 0 278.783 3.463 10 30 CGEERN Cc1cc(C)c(OCc2cccnc2C#N)c(C)c1 ZINC000061664945 524312318 /nfs/dbraw/zinc/31/23/18/524312318.db2.gz IIFFVWWMFVBWCD-UHFFFAOYSA-N 0 0 252.317 3.458 10 30 CGEERN Cc1ccc([C@H](C#N)C(=O)[C@H]2CCCCO2)cc1C ZINC000061682054 525872047 /nfs/dbraw/zinc/87/20/47/525872047.db2.gz DDEGZYUTCPQFEP-LSDHHAIUSA-N 0 0 257.333 3.049 10 30 CGEERN Cc1ccc([N+](=O)[O-])cc1-c1nc(CC#N)cs1 ZINC000061798197 526066076 /nfs/dbraw/zinc/06/60/76/526066076.db2.gz PEGGAMNQYKCDPO-UHFFFAOYSA-N 0 0 259.290 3.093 10 30 CGEERN C[C@@H](C#N)CN(C)c1ccccc1Br ZINC000049839624 526236403 /nfs/dbraw/zinc/23/64/03/526236403.db2.gz BNRIBIMUSWYHCY-VIFPVBQESA-N 0 0 253.143 3.045 10 30 CGEERN Cc1nn(-c2ccccc2C#N)c(C)c1Br ZINC000050593161 527564789 /nfs/dbraw/zinc/56/47/89/527564789.db2.gz ULURRJMYWZEFCW-UHFFFAOYSA-N 0 0 276.137 3.123 10 30 CGEERN C[C@H](OC(=O)c1cc(C#N)cs1)c1nc2ccccc2[nH]1 ZINC000083940036 618102148 /nfs/dbraw/zinc/10/21/48/618102148.db2.gz JTOPPRKWWPKWSS-VIFPVBQESA-N 0 0 297.339 3.414 10 30 CGEERN C#C[C@H](C)NC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000185974207 625498888 /nfs/dbraw/zinc/49/88/88/625498888.db2.gz AKLRJDIRQYFPFD-STQMWFEESA-N 0 0 266.344 3.222 10 30 CGEERN C=CCN(CC=C)c1nc(N2CCCC2)nc2[nH]c(C)cc21 ZINC000223926994 622868357 /nfs/dbraw/zinc/86/83/57/622868357.db2.gz REWMMAWKTABOLD-UHFFFAOYSA-N 0 0 297.406 3.045 10 30 CGEERN C=C(C)COC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000171770976 623190276 /nfs/dbraw/zinc/19/02/76/623190276.db2.gz CLUPIUHEFJAYMC-QWRGUYRKSA-N 0 0 252.260 3.188 10 30 CGEERN C#C[C@@H](C)OC(=O)C1(c2cccc(OC)c2)CCCC1 ZINC000174432607 623396010 /nfs/dbraw/zinc/39/60/10/623396010.db2.gz HRNKUXGJGMWBNJ-CYBMUJFWSA-N 0 0 272.344 3.072 10 30 CGEERN C#CCCCCC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000179699296 624676192 /nfs/dbraw/zinc/67/61/92/624676192.db2.gz OUIWNSICEDJUBP-NWDGAFQWSA-N 0 0 275.314 3.417 10 30 CGEERN C#CCCCCC(=O)O[C@H](C)c1ccc2c(c1)OCCO2 ZINC000180747054 624769909 /nfs/dbraw/zinc/76/99/09/624769909.db2.gz XMUOSFAMYPEJEE-CYBMUJFWSA-N 0 0 288.343 3.256 10 30 CGEERN C[C@@H](OC(=O)c1sccc1C#N)c1nc2ccccc2[nH]1 ZINC000119031585 629420985 /nfs/dbraw/zinc/42/09/85/629420985.db2.gz JQYNAKNDIHYMHW-SECBINFHSA-N 0 0 297.339 3.414 10 30 CGEERN C=CCCOC(=O)c1ccc(CSc2nccn2C)o1 ZINC000103646820 630336544 /nfs/dbraw/zinc/33/65/44/630336544.db2.gz FDLMGRFFRRYIQT-UHFFFAOYSA-N 0 0 292.360 3.038 10 30 CGEERN C=CCN(Cc1ccc(Cl)s1)C(=O)n1ccnc1 ZINC000106033145 636094018 /nfs/dbraw/zinc/09/40/18/636094018.db2.gz MZZBDZBAGWMMLY-UHFFFAOYSA-N 0 0 281.768 3.254 10 30 CGEERN Cc1cc(C)cc([C@@]2(F)CCN(c3cncc(C#N)n3)C2)c1 ZINC000885748338 637289640 /nfs/dbraw/zinc/28/96/40/637289640.db2.gz WNFKZLAINIMERL-QGZVFWFLSA-N 0 0 296.349 3.040 10 30 CGEERN C#CCCCCNC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000159797074 640069266 /nfs/dbraw/zinc/06/92/66/640069266.db2.gz GRCSFLZZOKNEAT-VXGBXAGGSA-N 0 0 290.329 3.210 10 30 CGEERN COc1ccc(O)c(/C=N/[C@H]2CCOc3ccccc32)c1 ZINC000193062437 640429648 /nfs/dbraw/zinc/42/96/48/640429648.db2.gz ITJCGDREHBORGN-LZNAANCOSA-N 0 0 283.327 3.344 10 30 CGEERN C=C[C@@H](CC)OC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000588385987 799685657 /nfs/dbraw/zinc/68/56/57/799685657.db2.gz LGGIWQVDCAZMDO-SZNGSJQDSA-N 0 0 261.277 3.116 10 30 CGEERN COc1ccc(O)cc1C(=O)/C=C\c1ccc(N(C)C)cc1 ZINC000588410351 799690262 /nfs/dbraw/zinc/69/02/62/799690262.db2.gz ILEYBLKXXQGOKB-POHAHGRESA-N 0 0 297.354 3.363 10 30 CGEERN Cc1nn(C)cc1C(=O)/C=C\c1cccc2cnccc12 ZINC000588423139 799692865 /nfs/dbraw/zinc/69/28/65/799692865.db2.gz GASHIHCAFKNQQM-SREVYHEPSA-N 0 0 277.327 3.173 10 30 CGEERN Cc1cc([N+](=O)[O-])ccc1/C=C\C(=O)c1cncc(F)c1 ZINC000588450116 799696252 /nfs/dbraw/zinc/69/62/52/799696252.db2.gz WZFTVYWLIPFLKO-HYXAFXHYSA-N 0 0 286.262 3.333 10 30 CGEERN C#CC[C@@H](OC(=O)/C=C\c1cncc(C)c1)C(C)(C)C ZINC000588539680 799709429 /nfs/dbraw/zinc/70/94/29/799709429.db2.gz DOBIBEYRJYUJAR-WHLNPGIBSA-N 0 0 271.360 3.384 10 30 CGEERN CC(C)(C(=O)Nc1cccc(C#N)c1)c1ccc(N)cc1 ZINC000082698270 178198146 /nfs/dbraw/zinc/19/81/46/178198146.db2.gz PTPDXDSOTQEXMU-UHFFFAOYSA-N 0 0 279.343 3.057 10 30 CGEERN O=C(/C=C/C(=O)c1ccc(F)cc1)c1ccccc1 ZINC000000042176 344853961 /nfs/dbraw/zinc/85/39/61/344853961.db2.gz BQKCRQHAOYHTLX-ZHACJKMWSA-N 0 0 254.260 3.448 10 30 CGEERN CCCN[C@@H](C#N)c1cc(Br)ccc1F ZINC000034939508 344941381 /nfs/dbraw/zinc/94/13/81/344941381.db2.gz GJRMVKUOZJXACB-NSHDSACASA-N 0 0 271.133 3.152 10 30 CGEERN C=CCN1C(=S)N=NC1CCCOc1cccc(C)c1 ZINC000064871987 345266037 /nfs/dbraw/zinc/26/60/37/345266037.db2.gz VCJBEWHYGSMGRT-UHFFFAOYSA-N 0 0 289.404 3.073 10 30 CGEERN CCOC(=O)CC[C@H](C)Nc1cc(Cl)ccc1C#N ZINC000089657016 345773969 /nfs/dbraw/zinc/77/39/69/345773969.db2.gz LOXBXBGJGZQUTJ-JTQLQIEISA-N 0 0 280.755 3.355 10 30 CGEERN C=C[C@@H]1C(=C)C(=O)Oc2ccc3ccc(O)cc3c21 ZINC000084687598 178914886 /nfs/dbraw/zinc/91/48/86/178914886.db2.gz WDOWFKAJAYBRMJ-GFCCVEGCSA-N 0 0 252.269 3.290 10 30 CGEERN CCC[C@@H](O)c1ccncc1-c1ccc(C#N)c(OC)c1 ZINC000117052637 345980967 /nfs/dbraw/zinc/98/09/67/345980967.db2.gz RAAHEMUETPOFNY-MRXNPFEDSA-N 0 0 282.343 3.462 10 30 CGEERN Cc1cccc(N[C@H](C)CC#N)c1Br ZINC000131774093 346067480 /nfs/dbraw/zinc/06/74/80/346067480.db2.gz MKLSVJAWJSYEJW-SECBINFHSA-N 0 0 253.143 3.472 10 30 CGEERN N#Cc1cc(Sc2ccc(O)cc2)ccc1[N+](=O)[O-] ZINC000131814089 346068163 /nfs/dbraw/zinc/06/81/63/346068163.db2.gz OYTUOFADCJPMGM-UHFFFAOYSA-N 0 0 272.285 3.323 10 30 CGEERN Cc1cccc(COc2ccccc2OCC=O)c1 ZINC000137017195 346092776 /nfs/dbraw/zinc/09/27/76/346092776.db2.gz UXKPWMYNTGCGJD-UHFFFAOYSA-N 0 0 256.301 3.152 10 30 CGEERN N#Cc1ccc(/N=N/c2ccc(OCCO)c(C#N)c2)cc1 ZINC000138897396 346097818 /nfs/dbraw/zinc/09/78/18/346097818.db2.gz UPABVYQSDOZJSG-FMQUCBEESA-N 0 0 292.298 3.216 10 30 CGEERN C=CCOC(=O)c1c(CCCO)ccc2ccccc21 ZINC000139451652 346100620 /nfs/dbraw/zinc/10/06/20/346100620.db2.gz INTYCKRDAQQIHD-UHFFFAOYSA-N 0 0 270.328 3.108 10 30 CGEERN COc1cccc(N(CC#N)c2cccc(OC)c2)c1 ZINC000139673720 346101162 /nfs/dbraw/zinc/10/11/62/346101162.db2.gz AFOUPQLHJMBAJY-UHFFFAOYSA-N 0 0 268.316 3.365 10 30 CGEERN COc1ccc(N(CC#N)c2cccc(OC)c2)cc1 ZINC000139673865 346101769 /nfs/dbraw/zinc/10/17/69/346101769.db2.gz VHKLDXSJGJKDLM-UHFFFAOYSA-N 0 0 268.316 3.365 10 30 CGEERN N#Cc1cc(C(F)(F)F)cc(Br)c1F ZINC000144412617 346117452 /nfs/dbraw/zinc/11/74/52/346117452.db2.gz WBQNIOWSZAFAJM-UHFFFAOYSA-N 0 0 268.007 3.479 10 30 CGEERN CC(=O)O/N=C(/Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000146868907 346125035 /nfs/dbraw/zinc/12/50/35/346125035.db2.gz NYIIASRZHZZJCQ-ICFOKQHNSA-N 0 0 298.298 3.105 10 30 CGEERN COc1cc(F)c(-c2ccc(C#N)cc2)cc1C=O ZINC000146991855 346125114 /nfs/dbraw/zinc/12/51/14/346125114.db2.gz PHRUDUHHOXHMBH-UHFFFAOYSA-N 0 0 255.248 3.185 10 30 CGEERN CC(C)(NC=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000147961561 346127005 /nfs/dbraw/zinc/12/70/05/346127005.db2.gz KHGXLWLOLJTXTQ-UHFFFAOYSA-N 0 0 263.340 3.068 10 30 CGEERN C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)c1ccccc1 ZINC000148081791 346127444 /nfs/dbraw/zinc/12/74/44/346127444.db2.gz GNBAHXDALHEPGP-HUUCEWRRSA-N 0 0 289.375 3.027 10 30 CGEERN C#CC[C@@H](C)Nc1ncc(Cl)cc1Br ZINC000162802370 346179398 /nfs/dbraw/zinc/17/93/98/346179398.db2.gz BBZOPFXPGBEDJQ-SSDOTTSWSA-N 0 0 273.561 3.321 10 30 CGEERN O=C(NO)[C@H](Oc1ccc2c(c1)CCCC2)c1ccccc1 ZINC000166749181 346187562 /nfs/dbraw/zinc/18/75/62/346187562.db2.gz IYMAPCVKGOELBD-QGZVFWFLSA-N 0 0 297.354 3.191 10 30 CGEERN C=C(C)C(=O)c1ccccc1I ZINC000169183592 346192152 /nfs/dbraw/zinc/19/21/52/346192152.db2.gz QLSBGRVOQVCCAJ-UHFFFAOYSA-N 0 0 272.085 3.050 10 30 CGEERN C[Si](C)(C)CCOCn1cnc2cc(C#N)ccc21 ZINC000223599552 346300789 /nfs/dbraw/zinc/30/07/89/346300789.db2.gz OWBGAPCXNQRXBM-UHFFFAOYSA-N 0 0 273.412 3.220 10 30 CGEERN C#CC[C@H](CC)Nc1nc(Cl)ncc1Br ZINC000229318240 346317003 /nfs/dbraw/zinc/31/70/03/346317003.db2.gz GOZULQGHJLDZKI-ZETCQYMHSA-N 0 0 288.576 3.106 10 30 CGEERN C#C[C@H](C)Nc1cccc(I)c1C ZINC000300915818 346438269 /nfs/dbraw/zinc/43/82/69/346438269.db2.gz GANYYCAIXGKDCU-QMMMGPOBSA-N 0 0 285.128 3.033 10 30 CGEERN C=C([C@H](O)c1ccc(Br)o1)C(F)(F)F ZINC000306679097 346456747 /nfs/dbraw/zinc/45/67/47/346456747.db2.gz BVLYFSLTKUSLMW-ZETCQYMHSA-N 0 0 271.032 3.194 10 30 CGEERN Cc1ccc(Br)c(C(=O)C2=COCC2)c1 ZINC000306732985 346457282 /nfs/dbraw/zinc/45/72/82/346457282.db2.gz SORXWZJKQHEFNR-UHFFFAOYSA-N 0 0 267.122 3.244 10 30 CGEERN COc1cc(/C=N/c2ccccc2)cc(OC)c1OC ZINC000100325162 185712194 /nfs/dbraw/zinc/71/21/94/185712194.db2.gz JJPMRGWGWAUSRL-GZTJUZNOSA-N 0 0 271.316 3.463 10 30 CGEERN N#CCc1cccc2c(=O)c3ccccc3sc12 ZINC000584590590 346685452 /nfs/dbraw/zinc/68/54/52/346685452.db2.gz IUDHBJMXPMTRCM-UHFFFAOYSA-N 0 0 251.310 3.481 10 30 CGEERN CCOP(=O)(OCC)[C@@H](C#N)C[Si](C)(C)C ZINC000584602691 346689728 /nfs/dbraw/zinc/68/97/28/346689728.db2.gz UKPHFTDNXGQXFU-JTQLQIEISA-N 0 0 263.350 3.483 10 30 CGEERN COC(=O)CC1=CC(=O)[C@H](c2ccc(Cl)cc2)CC1 ZINC000584616591 346693686 /nfs/dbraw/zinc/69/36/86/346693686.db2.gz XIVSWMBXTJNRFY-ZDUSSCGKSA-N 0 0 278.735 3.276 10 30 CGEERN C=CC[C@](CC)(CO)[C@@H](C)OC(=O)c1ccccc1 ZINC000584615179 346693997 /nfs/dbraw/zinc/69/39/97/346693997.db2.gz RSLGHZFRSVXRSS-CZUORRHYSA-N 0 0 262.349 3.197 10 30 CGEERN COc1cc(C(C)(C)/C(C)=N/O)c(OC)cc1C ZINC000584624368 346696665 /nfs/dbraw/zinc/69/66/65/346696665.db2.gz AWUWPWWEVMUZOZ-XNTDXEJSSA-N 0 0 251.326 3.140 10 30 CGEERN Cc1ccc([C@@]2(c3ccccc3)O[C@H](O)C=CC2=O)cc1C ZINC000584625154 346697032 /nfs/dbraw/zinc/69/70/32/346697032.db2.gz FQQWASWHHBRYPZ-RBUKOAKNSA-N 0 0 294.350 3.021 10 30 CGEERN CC[C@@]1(c2ccc(-c3ccccc3)cc2)O[C@H](O)C=CC1=O ZINC000584625192 346697512 /nfs/dbraw/zinc/69/75/12/346697512.db2.gz HTKUNVMIHFESPC-OALUTQOASA-N 0 0 294.350 3.433 10 30 CGEERN N#C[C@@H](c1ccncc1)[C@@H](CCO)c1c(F)cccc1F ZINC000584636685 346700731 /nfs/dbraw/zinc/70/07/31/346700731.db2.gz MCXJNCYQUFWKHT-OLZOCXBDSA-N 0 0 288.297 3.133 10 30 CGEERN N#C[C@@H](c1ccccc1)[C@@H](CCO)c1c(F)cncc1F ZINC000584636843 346700883 /nfs/dbraw/zinc/70/08/83/346700883.db2.gz HFYNEXTVTZWHJS-OLZOCXBDSA-N 0 0 288.297 3.133 10 30 CGEERN CC(C)(C)c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000584637408 346701430 /nfs/dbraw/zinc/70/14/30/346701430.db2.gz LMSGLLHUGKQEPI-UHFFFAOYSA-N 0 0 255.277 3.312 10 30 CGEERN N#Cc1cc(N[C@@H]2CCC[C@@H](O)C2)ccc1C(F)(F)F ZINC000613268851 348582851 /nfs/dbraw/zinc/58/28/51/348582851.db2.gz LJBSRRRWEXKJJL-ZYHUDNBSSA-N 0 0 284.281 3.292 10 30 CGEERN N#CCc1cccc(Br)c1OC(F)(F)F ZINC000616576729 348834424 /nfs/dbraw/zinc/83/44/24/348834424.db2.gz ZBAJNDCQWOVKAW-UHFFFAOYSA-N 0 0 280.043 3.414 10 30 CGEERN COc1cc(C)c(-c2ccc(C#N)cc2)cc1C=O ZINC000090668834 180020145 /nfs/dbraw/zinc/02/01/45/180020145.db2.gz DSESGYDONPFJDM-UHFFFAOYSA-N 0 0 251.285 3.355 10 30 CGEERN N#Cc1ccc(N[C@@H]2CCCC[C@@H]2O)c(Br)c1 ZINC000123535581 187097756 /nfs/dbraw/zinc/09/77/56/187097756.db2.gz LSTYOZQZBCRPPB-OLZOCXBDSA-N 0 0 295.180 3.036 10 30 CGEERN C[C@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)c1ccco1 ZINC000131744976 187584786 /nfs/dbraw/zinc/58/47/86/187584786.db2.gz FRKQYUCNCDMGOI-VIFPVBQESA-N 0 0 257.249 3.233 10 30 CGEERN N#Cc1ccc(Oc2ccc(Cl)cc2C#N)c(N)c1 ZINC000052858448 124328655 /nfs/dbraw/zinc/32/86/55/124328655.db2.gz CZDAZBSBSUZCTA-UHFFFAOYSA-N 0 0 269.691 3.458 10 30 CGEERN N#Cc1cc(F)c(N[C@H]2COc3ccccc32)c(F)c1 ZINC000111144328 283097997 /nfs/dbraw/zinc/09/79/97/283097997.db2.gz FOLUQRJZNFZXIC-ZDUSSCGKSA-N 0 0 272.254 3.382 10 30 CGEERN C=CCCCC(=O)N1CCC[C@H]1c1noc(C(C)C)n1 ZINC000176014686 188976352 /nfs/dbraw/zinc/97/63/52/188976352.db2.gz QNFAUJFPPGOVHH-LBPRGKRZSA-N 0 0 277.368 3.213 10 30 CGEERN CCS[C@@H]1CC[C@]1(O)CNc1ccc(C#N)c(Cl)c1 ZINC000301485534 201025190 /nfs/dbraw/zinc/02/51/90/201025190.db2.gz HEXDOLGKBRCMSF-KGLIPLIRSA-N 0 0 296.823 3.270 10 30 CGEERN N#Cc1cccc(NCc2ccnc3ccccc23)n1 ZINC000301563862 201070853 /nfs/dbraw/zinc/07/08/53/201070853.db2.gz VCIYBFCSNUINJD-UHFFFAOYSA-N 0 0 260.300 3.114 10 30 CGEERN CO[C@H]1CCC[C@H](Nc2snc(Cl)c2C#N)C1 ZINC000301809659 201209849 /nfs/dbraw/zinc/20/98/49/201209849.db2.gz ZOMRSECKJRSIOJ-YUMQZZPRSA-N 0 0 271.773 3.038 10 30 CGEERN Cc1cc(N(C)C[C@@H]2CC=CCC2)c(C#N)c(C)n1 ZINC000302124681 201352445 /nfs/dbraw/zinc/35/24/45/201352445.db2.gz FJJWREDMWLLIFH-CQSZACIVSA-N 0 0 255.365 3.363 10 30 CGEERN Cc1ccc(NC(=O)[C@H](C)Oc2ccccc2C#N)cc1 ZINC000003445190 368507515 /nfs/dbraw/zinc/50/75/15/368507515.db2.gz LDIDNAIYXDLRCX-ZDUSSCGKSA-N 0 0 280.327 3.273 10 30 CGEERN CC(C)c1ccc2[nH]c3nc(SCC#N)nnc3c2c1 ZINC000006633846 368567496 /nfs/dbraw/zinc/56/74/96/368567496.db2.gz YPYUREHRMAQIID-UHFFFAOYSA-N 0 0 283.360 3.245 10 30 CGEERN CC(=O)CC[C@H]1[C@H](C#N)[C@@H](C(C)C)CC[C@@]1(C)OC(C)=O ZINC000013464271 368653691 /nfs/dbraw/zinc/65/36/91/368653691.db2.gz OETYWDPXRCDDQP-WCXIOVBPSA-N 0 0 293.407 3.499 10 30 CGEERN C#C[C@H](c1ccc(O)cc1)[C@H](C#C)c1ccc(O)cc1 ZINC000013470347 368654577 /nfs/dbraw/zinc/65/45/77/368654577.db2.gz SNPIZVSBDKYJEJ-QZTJIDSGSA-N 0 0 262.308 3.232 10 30 CGEERN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CC[C@@H](C)O1 ZINC000123724627 370915147 /nfs/dbraw/zinc/91/51/47/370915147.db2.gz FPOMRXROLNJQMP-ZYHUDNBSSA-N 0 0 299.823 3.484 10 30 CGEERN O=C1c2ccccc2C2=C(CCC3(CCCC3)O2)C1=O ZINC000028094565 368880892 /nfs/dbraw/zinc/88/08/92/368880892.db2.gz LAZRBHRYUSKPGR-UHFFFAOYSA-N 0 0 268.312 3.286 10 30 CGEERN C/C(=N/NC(=S)Nc1ccc(C)cc1C)c1ccccn1 ZINC000033842129 368969755 /nfs/dbraw/zinc/96/97/55/368969755.db2.gz LYTRFZIBZANWIA-UYRXBGFRSA-N 0 0 298.415 3.409 10 30 CGEERN Cc1ccc(CN=Nc2ccccc2[N+](=O)[O-])cc1 ZINC000035003034 368988470 /nfs/dbraw/zinc/98/84/70/368988470.db2.gz FTHPJLMIXWHABO-GDNBJRDFSA-N 0 0 255.277 3.349 10 30 CGEERN COc1ccc2oc(C)c([C@@H](C)N(O)C(C)=O)c2c1 ZINC000039133538 369149448 /nfs/dbraw/zinc/14/94/48/369149448.db2.gz GOCCIECGJNXUOR-MRVPVSSYSA-N 0 0 263.293 3.049 10 30 CGEERN COc1cc(C)c([C@H](O)C#CC(F)(F)F)c(C)c1C ZINC000039372790 369150800 /nfs/dbraw/zinc/15/08/00/369150800.db2.gz GKJGYOPEQPKENK-LLVKDONJSA-N 0 0 272.266 3.220 10 30 CGEERN N#CCC[C@H](C#N)CN1CC=C(c2ccccc2)CC1 ZINC000046437947 369293930 /nfs/dbraw/zinc/29/39/30/369293930.db2.gz JRFDGTMUIOSWNH-OAHLLOKOSA-N 0 0 265.360 3.219 10 30 CGEERN C=CCc1ccccc1OCC(=O)c1cccn1C ZINC000048404360 369347169 /nfs/dbraw/zinc/34/71/69/369347169.db2.gz VANCQELJNVMHKY-UHFFFAOYSA-N 0 0 255.317 3.015 10 30 CGEERN CCc1ccc([C@H]2CCCCN2C(=O)CSCC#N)o1 ZINC000128513070 370963672 /nfs/dbraw/zinc/96/36/72/370963672.db2.gz DOSVGFVCYBMFSG-CYBMUJFWSA-N 0 0 292.404 3.152 10 30 CGEERN N#Cc1nc(-c2ccc(-c3ccccc3)s2)oc1NN ZINC000053994369 369491499 /nfs/dbraw/zinc/49/14/99/369491499.db2.gz DLPCSFFMSKXICZ-UHFFFAOYSA-N 0 0 282.328 3.227 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1cc2ccccc2s1 ZINC000061888268 369609470 /nfs/dbraw/zinc/60/94/70/369609470.db2.gz ZCISNDYIYGINCY-NEPJUHHUSA-N 0 0 270.357 3.323 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)Cc1ccc2ccccc2c1 ZINC000061888900 369609869 /nfs/dbraw/zinc/60/98/69/369609869.db2.gz HIRWFPIGJLCCIJ-SJORKVTESA-N 0 0 278.355 3.191 10 30 CGEERN COc1ccc(CN[C@@H]2CCC[C@H]2C#N)cc1OC(F)F ZINC000061891025 369610961 /nfs/dbraw/zinc/61/09/61/369610961.db2.gz YHWJNWSBHFYQOE-NWDGAFQWSA-N 0 0 296.317 3.078 10 30 CGEERN N#Cc1cnc(-c2ccccc2)nc1N1CCCCC1 ZINC000090568231 370062073 /nfs/dbraw/zinc/06/20/73/370062073.db2.gz ZZJHFEIGQYJVEI-UHFFFAOYSA-N 0 0 264.332 3.006 10 30 CGEERN O=C(OCc1ccccc1)N1CCC[C@@H](CCS)C1 ZINC000095079021 370170747 /nfs/dbraw/zinc/17/07/47/370170747.db2.gz OADJCBVTQYYKKX-ZDUSSCGKSA-N 0 0 279.405 3.355 10 30 CGEERN N#Cc1cccc(Nc2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000098178432 370268047 /nfs/dbraw/zinc/26/80/47/370268047.db2.gz IKQNEQPELALUAQ-UHFFFAOYSA-N 0 0 279.259 3.086 10 30 CGEERN F[C@H]1O[C@]1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000100483879 370279786 /nfs/dbraw/zinc/27/97/86/370279786.db2.gz PVWZPUCUQYDJMI-LWMBPPNESA-N 0 0 298.051 3.446 10 30 CGEERN Oc1ccc(Br)cc1/C=N\c1ccccn1 ZINC000100489718 370280169 /nfs/dbraw/zinc/28/01/69/370280169.db2.gz RXKWERDYZGNGDB-NVNXTCNLSA-N 0 0 277.121 3.300 10 30 CGEERN N#Cc1ccc(CCC(=O)N2CCC[C@@H]2c2ccco2)cc1 ZINC000116047817 370545674 /nfs/dbraw/zinc/54/56/74/370545674.db2.gz BNZAHRQFTQXNQT-MRXNPFEDSA-N 0 0 294.354 3.448 10 30 CGEERN COCc1ccccc1CNc1cc(C)nc(C)c1C#N ZINC000133754164 371277848 /nfs/dbraw/zinc/27/78/48/371277848.db2.gz KDWFZZNWISFYGG-UHFFFAOYSA-N 0 0 281.359 3.329 10 30 CGEERN C=C(C)COc1cccc(NC(=O)[C@H]2CC[C@H](C)O2)c1 ZINC000151895394 371650164 /nfs/dbraw/zinc/65/01/64/371650164.db2.gz HHDJHRPAXYRELF-SWLSCSKDSA-N 0 0 275.348 3.148 10 30 CGEERN CC#CCC[N@@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000156792821 371995042 /nfs/dbraw/zinc/99/50/42/371995042.db2.gz WPERHZMZIKGNIX-MRXNPFEDSA-N 0 0 273.351 3.276 10 30 CGEERN CCCC[C@@H](Nc1ncccc1C#N)C(=O)OC(C)(C)C ZINC000159976906 372199887 /nfs/dbraw/zinc/19/98/87/372199887.db2.gz LYLVNEORXCDDBA-CYBMUJFWSA-N 0 0 289.379 3.266 10 30 CGEERN N#Cc1ccc(Cl)cc1NC[C@H](O)C1CCCC1 ZINC000301283667 373728526 /nfs/dbraw/zinc/72/85/26/373728526.db2.gz PMOHBQLZVNMOTB-AWEZNQCLSA-N 0 0 264.756 3.175 10 30 CGEERN N#Cc1nc(Sc2cc(F)ccc2F)ccc1[N+](=O)[O-] ZINC000302759390 373954770 /nfs/dbraw/zinc/95/47/70/373954770.db2.gz XTINOBIALBJHDA-UHFFFAOYSA-N 0 0 293.254 3.291 10 30 CGEERN Cc1ccc(Oc2nccc(C#N)c2[N+](=O)[O-])cc1F ZINC000302856871 373986528 /nfs/dbraw/zinc/98/65/28/373986528.db2.gz MGCXIRHPNSHSIW-UHFFFAOYSA-N 0 0 273.223 3.101 10 30 CGEERN C#Cc1cccc(NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000180621963 374028859 /nfs/dbraw/zinc/02/88/59/374028859.db2.gz GPRMVIRVJOFSBE-MRXNPFEDSA-N 0 0 294.358 3.150 10 30 CGEERN C[C@@H]1C[C@H](C(=O)Nc2ccn(CCC#N)n2)CC(C)(C)C1 ZINC000180634174 374030942 /nfs/dbraw/zinc/03/09/42/374030942.db2.gz LWVUHGFQJIDJPL-OLZOCXBDSA-N 0 0 288.395 3.198 10 30 CGEERN O=C(Cc1ncccc1Br)C1=CCCC1 ZINC000307115972 374143527 /nfs/dbraw/zinc/14/35/27/374143527.db2.gz DYNLOGIRYHMHPE-UHFFFAOYSA-N 0 0 266.138 3.066 10 30 CGEERN CC[C@H](NC(=O)C[C@@H]1CCCCC(=O)N1)[C@H]1CCCO1 ZINC000328639579 374374078 /nfs/dbraw/zinc/37/40/78/374374078.db2.gz DTFCXQZCDWFSNM-RWMBFGLXSA-N 0 0 282.384 3.190 10 30 CGEERN C[C@H](NC(=O)C1CCCCC1)C(=O)N[C@@H]1CCO[C@@H]1C ZINC000328933342 374394117 /nfs/dbraw/zinc/39/41/17/374394117.db2.gz PQILUZFZCXMMHX-DMDPSCGWSA-N 0 0 282.384 3.046 10 30 CGEERN C[C@H]1C(=O)CC[C@H]1CC(=O)NCC1C[C@@H](C)O[C@H](C)C1 ZINC000328948864 374396521 /nfs/dbraw/zinc/39/65/21/374396521.db2.gz WIEVYFLMWZJSLJ-BYNQJWBRSA-N 0 0 281.396 3.152 10 30 CGEERN C[C@H](CC1CC1)NC(=O)C[C@H]1CCCCNC1=O ZINC000329307407 374403230 /nfs/dbraw/zinc/40/32/30/374403230.db2.gz ZCSSTOYFEOVIEH-ZYHUDNBSSA-N 0 0 252.358 3.278 10 30 CGEERN CC1(C)CCC[C@@H]1NC(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000328737359 374378654 /nfs/dbraw/zinc/37/86/54/374378654.db2.gz KEAHBNSXNDJZQH-RYUDHWBXSA-N 0 0 293.411 3.110 10 30 CGEERN C[C@]1(CNC(=O)C[C@H]2CCCCNC2=O)CCCS1 ZINC000328766468 374380156 /nfs/dbraw/zinc/38/01/56/374380156.db2.gz HGPYISUSEVMSOG-BXUZGUMPSA-N 0 0 284.425 3.375 10 30 CGEERN C[C@]1(CNC(=O)C[C@@H]2CCCCNC2=O)CCCS1 ZINC000328766469 374380424 /nfs/dbraw/zinc/38/04/24/374380424.db2.gz HGPYISUSEVMSOG-SMDDNHRTSA-N 0 0 284.425 3.375 10 30 CGEERN C#CCCCCNC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000187166944 374981780 /nfs/dbraw/zinc/98/17/80/374981780.db2.gz MQGNXSGZJFAKTH-AWEZNQCLSA-N 0 0 291.420 3.102 10 30 CGEERN CC(C)c1nnc(COc2ccc(C#N)c(Cl)c2)n1C ZINC000190267694 375489166 /nfs/dbraw/zinc/48/91/66/375489166.db2.gz NNHXGUUOPDHMIB-UHFFFAOYSA-N 0 0 290.754 3.043 10 30 CGEERN Cc1ccc2c(c1)OCC/C(=C\c1cc(C#N)n(C)c1)C2=O ZINC000191324285 375609725 /nfs/dbraw/zinc/60/97/25/375609725.db2.gz PUGDCOTXLLMZFN-RIYZIHGNSA-N 0 0 292.338 3.254 10 30 CGEERN C#CCCCC(=O)N1CCC(Oc2ccc(C)c(C)c2)CC1 ZINC000192188385 375708376 /nfs/dbraw/zinc/70/83/76/375708376.db2.gz DZBJJYLZQIVIBM-UHFFFAOYSA-N 0 0 299.414 3.477 10 30 CGEERN Cc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2cccc(C#N)c2)o1 ZINC000193640686 375900597 /nfs/dbraw/zinc/90/05/97/375900597.db2.gz OGMWGLFAUQYVTH-CHWSQXEVSA-N 0 0 297.358 3.138 10 30 CGEERN Cc1ccc(C#N)cc1NC(=O)N[C@@H]1COc2ccccc21 ZINC000194750337 376040013 /nfs/dbraw/zinc/04/00/13/376040013.db2.gz NDCJUBKTJVTSSH-OAHLLOKOSA-N 0 0 293.326 3.122 10 30 CGEERN C=C[C@H](CC(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1ccccc1 ZINC000245613633 376866660 /nfs/dbraw/zinc/86/66/60/376866660.db2.gz CGIHBCIIFMSPKE-MOIQIXESSA-N 0 0 299.414 3.276 10 30 CGEERN C=CCC(CC=C)C(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000247039284 377144626 /nfs/dbraw/zinc/14/46/26/377144626.db2.gz SRSQWLBGKFMSMN-KZNAEPCWSA-N 0 0 281.399 3.457 10 30 CGEERN CCCCCCCCOCC(=O)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000251998044 377610157 /nfs/dbraw/zinc/61/01/57/377610157.db2.gz WJWGXYZEHIRXIU-ARFHVFGLSA-N 0 0 297.439 3.047 10 30 CGEERN NC(=O)c1cccc(N=Cc2ccc(Cl)cc2)c1 ZINC000254708672 377711759 /nfs/dbraw/zinc/71/17/59/377711759.db2.gz SCFFNLWTEKBBFV-UHFFFAOYSA-N 0 0 258.708 3.190 10 30 CGEERN CCOC(=O)Cc1cc(C#N)c(C(F)F)cc1CC ZINC000575389369 377897836 /nfs/dbraw/zinc/89/78/36/377897836.db2.gz CFGIJVBEYRLGKK-UHFFFAOYSA-N 0 0 267.275 3.164 10 30 CGEERN N#Cc1c(C(F)(F)F)cc(C=O)cc1C(F)(F)F ZINC000575341149 377881645 /nfs/dbraw/zinc/88/16/45/377881645.db2.gz MOZLJMYRPNCTNI-UHFFFAOYSA-N 0 0 267.128 3.408 10 30 CGEERN COC(=O)c1cc(C#N)cc(C(F)(F)F)c1C(F)F ZINC000575344117 377883726 /nfs/dbraw/zinc/88/37/26/377883726.db2.gz OSSQGZXWBHSGSX-UHFFFAOYSA-N 0 0 279.164 3.301 10 30 CGEERN COC(=O)c1cc(C#N)c(OC(F)(F)F)c(C(F)F)c1 ZINC000575343751 377883812 /nfs/dbraw/zinc/88/38/12/377883812.db2.gz FMXMZVKDUCYJIZ-UHFFFAOYSA-N 0 0 295.163 3.181 10 30 CGEERN COC(=O)c1cc(C(F)F)c(OC(F)(F)F)cc1C#N ZINC000575344132 377883899 /nfs/dbraw/zinc/88/38/99/377883899.db2.gz PVYSBPXKJKHCJF-UHFFFAOYSA-N 0 0 295.163 3.181 10 30 CGEERN COC(=O)c1cc(OC(F)(F)F)c(C#N)cc1C(F)F ZINC000575344194 377883954 /nfs/dbraw/zinc/88/39/54/377883954.db2.gz UMEBKUIVFRQJQQ-UHFFFAOYSA-N 0 0 295.163 3.181 10 30 CGEERN CCOC(=O)Cc1cc(C(F)(F)F)cc(CC)c1C#N ZINC000575389854 377898985 /nfs/dbraw/zinc/89/89/85/377898985.db2.gz SMLRUHSKUVBSMO-UHFFFAOYSA-N 0 0 285.265 3.245 10 30 CGEERN CCOC(=O)c1c(OC(F)F)cc(C#N)cc1C(F)F ZINC000575385200 377895331 /nfs/dbraw/zinc/89/53/31/377895331.db2.gz CDJQHLNKXXQEHX-UHFFFAOYSA-N 0 0 291.200 3.274 10 30 CGEERN CCOC(=O)c1c(C#N)c(CC)ccc1C(F)(F)F ZINC000575389835 377897555 /nfs/dbraw/zinc/89/75/55/377897555.db2.gz QYMPRTPVKWXRMT-UHFFFAOYSA-N 0 0 271.238 3.316 10 30 CGEERN CCOC(=O)c1c(C(F)(F)F)ccc(C#N)c1CC ZINC000575389552 377897616 /nfs/dbraw/zinc/89/76/16/377897616.db2.gz ICLNKYKLTQBHPB-UHFFFAOYSA-N 0 0 271.238 3.316 10 30 CGEERN CCOC(=O)c1ccc(C#N)c(SC(F)(F)F)c1F ZINC000575390724 377899922 /nfs/dbraw/zinc/89/99/22/377899922.db2.gz URXRWMRNDRSTBO-UHFFFAOYSA-N 0 0 293.241 3.486 10 30 CGEERN N#CCc1cc(C(F)(F)F)c(OC(F)F)cc1C#N ZINC000575638548 377924238 /nfs/dbraw/zinc/92/42/38/377924238.db2.gz JIHIBEMGLVMVHN-UHFFFAOYSA-N 0 0 276.164 3.245 10 30 CGEERN N#CCc1cc(OC(F)(F)F)c(OC(F)F)cc1C#N ZINC000575641318 377924914 /nfs/dbraw/zinc/92/49/14/377924914.db2.gz ZILPZTJSFFMGKG-UHFFFAOYSA-N 0 0 292.163 3.124 10 30 CGEERN COc1cc(C(F)F)c(OC(F)F)cc1CC#N ZINC000575651787 377929354 /nfs/dbraw/zinc/92/93/54/377929354.db2.gz CYWBVSKUEIOIMC-UHFFFAOYSA-N 0 0 263.190 3.300 10 30 CGEERN N#Cc1c(F)ccc(C(F)(F)F)c1OC(F)F ZINC000575658166 377933591 /nfs/dbraw/zinc/93/35/91/377933591.db2.gz ABAUSYYTYOYWGI-UHFFFAOYSA-N 0 0 255.117 3.318 10 30 CGEERN COc1c(OC(F)F)ccc(CC#N)c1C(F)(F)F ZINC000575664040 377939651 /nfs/dbraw/zinc/93/96/51/377939651.db2.gz AWMVSCGUYSPHMR-UHFFFAOYSA-N 0 0 281.180 3.381 10 30 CGEERN N#CCc1ccc([N+](=O)[O-])c(C(F)(F)F)c1OC(F)F ZINC000575666341 377943489 /nfs/dbraw/zinc/94/34/89/377943489.db2.gz KLGXMVSHQCUUFF-UHFFFAOYSA-N 0 0 296.151 3.281 10 30 CGEERN N#CCc1cc([N+](=O)[O-])c(OC(F)F)c(C(F)(F)F)c1 ZINC000575667280 377945080 /nfs/dbraw/zinc/94/50/80/377945080.db2.gz OZCNSCGAXDMJFZ-UHFFFAOYSA-N 0 0 296.151 3.281 10 30 CGEERN CCOc1cc(C#N)cc(CC)c1OC(F)(F)F ZINC000575672100 377948356 /nfs/dbraw/zinc/94/83/56/377948356.db2.gz VOJLUZSBOIVYMT-UHFFFAOYSA-N 0 0 259.227 3.418 10 30 CGEERN COC(=O)c1c(C#N)ccc(C)c1SC(F)(F)F ZINC000575395275 377902135 /nfs/dbraw/zinc/90/21/35/377902135.db2.gz VYBYMYBFRDKRTA-UHFFFAOYSA-N 0 0 275.251 3.265 10 30 CGEERN COC(=O)c1c(C)cc(SC(F)(F)F)cc1C#N ZINC000575394663 377902157 /nfs/dbraw/zinc/90/21/57/377902157.db2.gz IUQUXSQYAXWDLT-UHFFFAOYSA-N 0 0 275.251 3.265 10 30 CGEERN COC(=O)c1cc(C#N)c(C)c(SC(F)(F)F)c1 ZINC000575394732 377902728 /nfs/dbraw/zinc/90/27/28/377902728.db2.gz MTFFLQJKPDGXKP-UHFFFAOYSA-N 0 0 275.251 3.265 10 30 CGEERN COC(=O)Cc1cc(SC(F)(F)F)cc(C)c1C#N ZINC000575395734 377903343 /nfs/dbraw/zinc/90/33/43/377903343.db2.gz NWRVDFRKGZKFLA-UHFFFAOYSA-N 0 0 289.278 3.194 10 30 CGEERN COC(=O)Cc1c(C#N)ccc(C)c1SC(F)(F)F ZINC000575395564 377903469 /nfs/dbraw/zinc/90/34/69/377903469.db2.gz HOBZUQUQIRZTIU-UHFFFAOYSA-N 0 0 289.278 3.194 10 30 CGEERN CCOc1cc(Br)cc(OCC)c1CC#N ZINC000575680748 377954675 /nfs/dbraw/zinc/95/46/75/377954675.db2.gz JGRLHGIILGOXCM-UHFFFAOYSA-N 0 0 284.153 3.313 10 30 CGEERN C[C@@H]1CCCCC[C@@]1(C#N)NC(=O)OC(C)(C)C ZINC000575496128 377915065 /nfs/dbraw/zinc/91/50/65/377915065.db2.gz DTEYHHOSUMILDR-RISCZKNCSA-N 0 0 252.358 3.374 10 30 CGEERN N#CCc1cc(C(F)F)cc([N+](=O)[O-])c1Br ZINC000575684173 377959208 /nfs/dbraw/zinc/95/92/08/377959208.db2.gz CPUIWROMDMSMOY-UHFFFAOYSA-N 0 0 291.051 3.361 10 30 CGEERN COc1cc(Br)cc(CC#N)c1OC(F)F ZINC000575684700 377959379 /nfs/dbraw/zinc/95/93/79/377959379.db2.gz SBFYNRQMKMLTDT-UHFFFAOYSA-N 0 0 292.079 3.125 10 30 CGEERN COc1cc(Br)c(C(F)F)cc1CC#N ZINC000575686997 377962030 /nfs/dbraw/zinc/96/20/30/377962030.db2.gz SJNVWRURLXPSDM-UHFFFAOYSA-N 0 0 276.080 3.461 10 30 CGEERN N#Cc1c(F)c(C(F)(F)F)ccc1Br ZINC000575689903 377965081 /nfs/dbraw/zinc/96/50/81/377965081.db2.gz LJJUXLAFIVYQOZ-UHFFFAOYSA-N 0 0 268.007 3.479 10 30 CGEERN N#Cc1c(F)cc(C(F)(F)F)cc1Br ZINC000575690006 377965828 /nfs/dbraw/zinc/96/58/28/377965828.db2.gz RDIFWHMWEFJUDG-UHFFFAOYSA-N 0 0 268.007 3.479 10 30 CGEERN C#CC(OC(N)=O)(c1ccccc1)c1ccccc1 ZINC000584628885 378395074 /nfs/dbraw/zinc/39/50/74/378395074.db2.gz XYRMDEGBLZPBLY-UHFFFAOYSA-N 0 0 251.285 3.073 10 30 CGEERN N#CCc1cccc(OC(F)(F)F)c1OC(F)F ZINC000616575189 378409808 /nfs/dbraw/zinc/40/98/08/378409808.db2.gz AKJKRJIVNOGBBM-UHFFFAOYSA-N 0 0 267.153 3.253 10 30 CGEERN CC[C@H](NC(=O)c1c(F)cc(C#N)cc1F)C(C)C ZINC000267956437 190365301 /nfs/dbraw/zinc/36/53/01/190365301.db2.gz JOFOPUCQOLCZBI-LBPRGKRZSA-N 0 0 266.291 3.001 10 30 CGEERN Cc1cc2c[nH]nc2c(C(=O)N[C@H](C)C[C@H]2CCCO2)c1 ZINC000328718248 542445440 /nfs/dbraw/zinc/44/54/40/542445440.db2.gz UYNVASHNHLRQRG-DGCLKSJQSA-N 0 0 287.363 3.134 10 30 CGEERN Cc1cnc([C@@H](C)NC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)o1 ZINC000329438215 542446721 /nfs/dbraw/zinc/44/67/21/542446721.db2.gz MJFKVLJFLGYQIO-FKJOKYEKSA-N 0 0 290.363 3.396 10 30 CGEERN C=CCC[C@H](C(=O)N[C@@H]1CCCC[C@@H]1O)c1ccccc1 ZINC000186930404 260024047 /nfs/dbraw/zinc/02/40/47/260024047.db2.gz WYBBZWDPXUUBKJ-BBWFWOEESA-N 0 0 287.403 3.156 10 30 CGEERN C=C(C)C(=O)OC1CC(C)(C)N(Cl)C(C)(C)C1 ZINC000065739378 392150232 /nfs/dbraw/zinc/15/02/32/392150232.db2.gz HEVKFRBDENHXII-UHFFFAOYSA-N 0 0 259.777 3.281 10 30 in-vitro CGEERN N#Cc1nccc2c(Br)c(F)ccc12 ZINC000082766697 392223272 /nfs/dbraw/zinc/22/32/72/392223272.db2.gz CNBFGBLETREMQT-UHFFFAOYSA-N 0 0 251.058 3.008 10 30 CGEERN C=C(C)C[C@H](C)C(=O)N1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000366195886 392451518 /nfs/dbraw/zinc/45/15/18/392451518.db2.gz WQWCGCYZAGGULE-UXLLHSPISA-N 0 0 290.407 3.043 10 30 CGEERN C=C[C@](C)(CC)C(=O)N1CCC(c2cnn(CC)c2)CC1 ZINC000135062186 392471088 /nfs/dbraw/zinc/47/10/88/392471088.db2.gz VUIPNQVLCNWBNM-QGZVFWFLSA-N 0 0 289.423 3.211 10 30 CGEERN C/C=C/C(=O)c1c(F)cc(Br)cc1F ZINC000307655881 392654054 /nfs/dbraw/zinc/65/40/54/392654054.db2.gz XXEOREJSQVHMNR-NSCUHMNNSA-N 0 0 261.065 3.486 10 30 CGEERN C[C@H](NC(=O)c1c[nH]c(C#N)c1)c1cccc(Cl)c1 ZINC000181143274 392722144 /nfs/dbraw/zinc/72/21/44/392722144.db2.gz KWDPQBHRECTHOM-VIFPVBQESA-N 0 0 273.723 3.031 10 30 CGEERN CCN(CC)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000193095946 392869756 /nfs/dbraw/zinc/86/97/56/392869756.db2.gz AWWQDAZHGNHIEQ-UHFFFAOYSA-N 0 0 298.308 3.108 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1Nc1ncnc2sc3c(c21)CCC3 ZINC000408330161 392972483 /nfs/dbraw/zinc/97/24/83/392972483.db2.gz QLSNFASTDURSTD-ONGXEEELSA-N 0 0 284.388 3.284 10 30 CGEERN Oc1ccc(Br)cc1C=Nc1cccnc1 ZINC000263631330 393153887 /nfs/dbraw/zinc/15/38/87/393153887.db2.gz ATSIGWCQWOFHLX-UHFFFAOYSA-N 0 0 277.121 3.300 10 30 CGEERN C=C[C@@H]1CC[C@H](O)[C@@H](N(C)C(=S)Nc2ccccc2)C1 ZINC000004116761 169934592 /nfs/dbraw/zinc/93/45/92/169934592.db2.gz DJHLMCRMGSKBHE-SNPRPXQTSA-N 0 0 290.432 3.031 10 30 CGEERN CSc1nc(N)c(C(=O)/C=C/c2ccccc2)s1 ZINC000005353762 170088932 /nfs/dbraw/zinc/08/89/32/170088932.db2.gz ADKCVCYEWPEQRL-BQYQJAHWSA-N 0 0 276.386 3.343 10 30 CGEERN CC(=NNc1n[nH]c(=S)[nH]1)c1ccc2ccccc2c1 ZINC000005889344 170150810 /nfs/dbraw/zinc/15/08/10/170150810.db2.gz MEVSPRRDHMILMU-SXGWCWSVSA-N 0 0 283.360 3.457 10 30 CGEERN Cc1ccc(NC(=S)N/N=C/c2ccccc2F)cc1 ZINC000006332071 170192881 /nfs/dbraw/zinc/19/28/81/170192881.db2.gz MREDFGARUHROKV-LICLKQGHSA-N 0 0 287.363 3.455 10 30 CGEERN C=C(C)COc1ccccc1N1C(=O)c2ccccc2C1=O ZINC000009822236 170386068 /nfs/dbraw/zinc/38/60/68/170386068.db2.gz SBCLZJVLCLVVAM-UHFFFAOYSA-N 0 0 293.322 3.442 10 30 CGEERN N#CCCN(C(=O)c1cccc(F)c1)c1ccccc1 ZINC000019429795 170796686 /nfs/dbraw/zinc/79/66/86/170796686.db2.gz XDUZYHLHDURZNP-UHFFFAOYSA-N 0 0 268.291 3.386 10 30 CGEERN C/C(=N\O)c1ccc(NC(=O)C2CCCCC2)cc1 ZINC000019481393 170809960 /nfs/dbraw/zinc/80/99/60/170809960.db2.gz MKERQBLBNAVJDJ-GZTJUZNOSA-N 0 0 260.337 3.404 10 30 CGEERN Cc1ccc(OCCC(=O)Nc2ccccc2C#N)cc1 ZINC000019847320 170896778 /nfs/dbraw/zinc/89/67/78/170896778.db2.gz FWQZYWNETDWMHA-UHFFFAOYSA-N 0 0 280.327 3.274 10 30 CGEERN COc1cc(NCc2cc(C#N)ccc2F)cc(OC)c1 ZINC000020046141 170977528 /nfs/dbraw/zinc/97/75/28/170977528.db2.gz IPMFCOQQYNJCGH-UHFFFAOYSA-N 0 0 286.306 3.327 10 30 CGEERN C=CCn1c(C)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000020157804 171039580 /nfs/dbraw/zinc/03/95/80/171039580.db2.gz XNUHBMDRKFAFEE-VIFPVBQESA-N 0 0 274.389 3.077 10 30 CGEERN C=C(C)CN(CC)c1nc2ccccc2cc1C=O ZINC000020444685 171205537 /nfs/dbraw/zinc/20/55/37/171205537.db2.gz ZSURKLDCVLMYCT-UHFFFAOYSA-N 0 0 254.333 3.450 10 30 CGEERN N#CCc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1 ZINC000020977743 171282882 /nfs/dbraw/zinc/28/28/82/171282882.db2.gz CNKUCJYHTWUIII-UHFFFAOYSA-N 0 0 277.538 3.061 10 30 CGEERN CC(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O ZINC000033811505 171821380 /nfs/dbraw/zinc/82/13/80/171821380.db2.gz PFODSCNWJUFKQW-PXNMLYILSA-N 0 0 298.269 3.367 10 30 CGEERN Cc1ccc(NC(=O)[C@H](C#N)c2ccccc2)cc1 ZINC000034274072 171836226 /nfs/dbraw/zinc/83/62/26/171836226.db2.gz XVMIECNYPWXPJD-OAHLLOKOSA-N 0 0 250.301 3.241 10 30 CGEERN Cc1nc(CNc2ccc(C#N)c(Cl)c2)oc1C ZINC000037909360 173842300 /nfs/dbraw/zinc/84/23/00/173842300.db2.gz FNXRITSJDRGXCP-UHFFFAOYSA-N 0 0 261.712 3.429 10 30 CGEERN CC[C@@H](C)N[C@H](C#N)c1ccccc1OC(F)F ZINC000038064392 174075485 /nfs/dbraw/zinc/07/54/85/174075485.db2.gz RAJNGKCSOOSAJJ-MWLCHTKSSA-N 0 0 254.280 3.241 10 30 CGEERN CC(C)(C)Nc1oc(-c2ccccc2[N+](=O)[O-])nc1C#N ZINC000040373761 174249113 /nfs/dbraw/zinc/24/91/13/174249113.db2.gz QDHFFIBKUAGNDJ-UHFFFAOYSA-N 0 0 286.291 3.332 10 30 CGEERN C=CCNc1ncnc(Nc2cccc(Cl)c2)c1N ZINC000040708985 174380602 /nfs/dbraw/zinc/38/06/02/174380602.db2.gz GTRFRNZVZPFUQU-UHFFFAOYSA-N 0 0 275.743 3.054 10 30 CGEERN C=CCNc1ncnc(Nc2ccc(F)c(Cl)c2)c1N ZINC000040709101 174380851 /nfs/dbraw/zinc/38/08/51/174380851.db2.gz DSXMRZAPYUOEDM-UHFFFAOYSA-N 0 0 293.733 3.193 10 30 CGEERN N#Cc1ccccc1Oc1ccc([N+](=O)[O-])c(F)c1 ZINC000043472814 175053628 /nfs/dbraw/zinc/05/36/28/175053628.db2.gz NIDJYPMRJQPOIS-UHFFFAOYSA-N 0 0 258.208 3.398 10 30 CGEERN Cc1nc(-c2cccc(C(=O)N[C@H]3C=CCCC3)c2)n[nH]1 ZINC000329854241 227968148 /nfs/dbraw/zinc/96/81/48/227968148.db2.gz WEIVERHMBBUTJH-AWEZNQCLSA-N 0 0 282.347 3.193 10 30 CGEERN C[C@@H]1OCCC[C@H]1C(=O)NCc1cccc(-c2ncc[nH]2)c1 ZINC000330150384 228050835 /nfs/dbraw/zinc/05/08/35/228050835.db2.gz NCDGKSQSULRLGM-SWLSCSKDSA-N 0 0 299.374 3.348 10 30 CGEERN N#C[C@H]1CCC[C@H]1Nc1nc(C2CCCCC2)ns1 ZINC000333717958 228211269 /nfs/dbraw/zinc/21/12/69/228211269.db2.gz UBLKXWSYZSPDNF-VXGBXAGGSA-N 0 0 276.409 3.112 10 30 CGEERN N#C[C@@]1(c2nc(CC3CCC3)no2)CC12CCCC2 ZINC000333851863 228217145 /nfs/dbraw/zinc/21/71/45/228217145.db2.gz PQQLLKIPSIUBOC-OAHLLOKOSA-N 0 0 257.337 3.138 10 30 CGEERN Cc1ncccc1N[C@@H](C)c1ccc(OCC#N)cc1 ZINC000091495961 260266573 /nfs/dbraw/zinc/26/65/73/260266573.db2.gz JEGICEHKEZQJAC-LBPRGKRZSA-N 0 0 267.332 3.466 10 30 CGEERN C[C@@H]1CCc2sc(C(=O)N[C@H]3CCC[C@@H]3C#N)cc2C1 ZINC000408333872 260801892 /nfs/dbraw/zinc/80/18/92/260801892.db2.gz JEFUDJXWIOUYOM-WZRBSPASSA-N 0 0 288.416 3.295 10 30 CGEERN CC(C)[C@@](C)(C#N)NC(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000104351318 261293710 /nfs/dbraw/zinc/29/37/10/261293710.db2.gz YUHHNHQLYYWPKE-QGZVFWFLSA-N 0 0 299.349 3.284 10 30 CGEERN C#CCCCCC(=O)N1CCC[C@H]1c1nccs1 ZINC000364241211 262189653 /nfs/dbraw/zinc/18/96/53/262189653.db2.gz SASMHQZKNNLSPZ-LBPRGKRZSA-N 0 0 262.378 3.000 10 30 CGEERN O=C(C[C@H]1CCCCNC1=O)NCC1CCCC1 ZINC000328886659 263888163 /nfs/dbraw/zinc/88/81/63/263888163.db2.gz ZTWQKEZMNIHSKS-GFCCVEGCSA-N 0 0 252.358 3.280 10 30 CGEERN C=CCCS(=O)(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000162280319 264312206 /nfs/dbraw/zinc/31/22/06/264312206.db2.gz JBUGTUUEXPJJES-WFASDCNBSA-N 0 0 279.405 3.121 10 30 CGEERN C=C[C@H](CC(=O)NC[C@@H]1CCCC[C@@H]1O)c1ccccc1 ZINC000135578672 264599392 /nfs/dbraw/zinc/59/93/92/264599392.db2.gz HLBLPLJTJLTXOR-PVAVHDDUSA-N 0 0 287.403 3.014 10 30 CGEERN CCn1c2cc(C#N)c(C#N)cc2nc1-c1ccccc1 ZINC000521401467 267249813 /nfs/dbraw/zinc/24/98/13/267249813.db2.gz SPZDVGYCVRZCOW-UHFFFAOYSA-N 0 0 272.311 3.467 10 30 CGEERN Cc1cc(N[C@H](C)c2ccccc2C)c(C#N)cn1 ZINC000399559437 267301784 /nfs/dbraw/zinc/30/17/84/267301784.db2.gz GCLSKDIWMHNBHX-CYBMUJFWSA-N 0 0 251.333 3.165 10 30 CGEERN Cc1ccc2c(c1)C(=O)/C(=C\c1cc(C#N)n(C)c1)CCO2 ZINC000191228218 267448869 /nfs/dbraw/zinc/44/88/69/267448869.db2.gz MZDQGFHQDVOFGG-ZSOIEALJSA-N 0 0 292.338 3.254 10 30 CGEERN CCNc1c(C#N)cnc2cc(Br)ccc21 ZINC000053994633 276271198 /nfs/dbraw/zinc/27/11/98/276271198.db2.gz KTAYTVGVXVOOPF-UHFFFAOYSA-N 0 0 276.137 3.301 10 30 CGEERN COC(=O)c1sc(SC)c2c1CC(C)(C)CC2=NO ZINC000254304099 277174732 /nfs/dbraw/zinc/17/47/32/277174732.db2.gz SJOCPYUKFOTDAN-UHFFFAOYSA-N 0 0 299.417 3.407 10 30 CGEERN C[C@@H](NC(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C)c1ccco1 ZINC000328615964 277602317 /nfs/dbraw/zinc/60/23/17/277602317.db2.gz BGAJUURSDHQBDI-BZPMIXESSA-N 0 0 294.395 3.295 10 30 CGEERN N#Cc1nccc2c(Br)cc(F)cc12 ZINC000082766696 279549172 /nfs/dbraw/zinc/54/91/72/279549172.db2.gz XBXGLMPFEYENFV-UHFFFAOYSA-N 0 0 251.058 3.008 10 30 CGEERN C[C@H]1SCCN(c2ccc(C#N)cc2F)[C@H]1C ZINC000134772047 280091258 /nfs/dbraw/zinc/09/12/58/280091258.db2.gz OPZUQFDCBBUBEN-VHSXEESVSA-N 0 0 250.342 3.028 10 30 CGEERN Cc1cc(N2CCc3c(F)ccc(F)c3C2)c(C#N)c(C)n1 ZINC000301788496 280580146 /nfs/dbraw/zinc/58/01/46/280580146.db2.gz PUOISVKSGZGUSU-UHFFFAOYSA-N 0 0 299.324 3.411 10 30 CGEERN N#Cc1ccc(N2CC[C@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000227977346 294930331 /nfs/dbraw/zinc/93/03/31/294930331.db2.gz OAPXKMZUCFTUEP-BXUZGUMPSA-N 0 0 271.320 3.235 10 30 CGEERN CC(C)(C#N)CC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000408274346 327376774 /nfs/dbraw/zinc/37/67/74/327376774.db2.gz KNDOLUKQPBJYJR-NXEZZACHSA-N 0 0 276.302 3.164 10 30 CGEERN CC[C@@H](CC#N)N[C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000054183367 328689786 /nfs/dbraw/zinc/68/97/86/328689786.db2.gz UOHLNYLDJIJVNK-YPMHNXCESA-N 0 0 292.379 3.055 10 30 CGEERN C#CCN(C(=O)N[C@H]1CCOc2ccccc21)C1CCCC1 ZINC000177310999 329186107 /nfs/dbraw/zinc/18/61/07/329186107.db2.gz ONHAMEXVWAJACK-INIZCTEOSA-N 0 0 298.386 3.098 10 30 CGEERN C=CCCCC(=O)N1CCC(Oc2ccc(C)cn2)CC1 ZINC000181191831 329233334 /nfs/dbraw/zinc/23/33/34/329233334.db2.gz YYDFECRTCUEXCK-UHFFFAOYSA-N 0 0 288.391 3.116 10 30 CGEERN Fc1cc(F)c(CNCC(F)(F)C(F)F)cc1F ZINC000191773414 329420183 /nfs/dbraw/zinc/42/01/83/329420183.db2.gz LYLRRWXWDPPHGP-UHFFFAOYSA-N 0 0 275.167 3.094 10 30 CGEERN C[C@H]1c2ccccc2O[C@H]1C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 ZINC000246615054 329868178 /nfs/dbraw/zinc/86/81/78/329868178.db2.gz AYXXZXQGQRXWCC-RGFKIIKPSA-N 0 0 298.386 3.140 10 30 CGEERN C=CCOc1ccc(C(=O)N[C@@H]2COc3ccccc32)cc1 ZINC000058728963 330391103 /nfs/dbraw/zinc/39/11/03/330391103.db2.gz DGSNFJWMBWTPFR-MRXNPFEDSA-N 0 0 295.338 3.115 10 30 CGEERN C=CCSCCNC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000172879923 332950826 /nfs/dbraw/zinc/95/08/26/332950826.db2.gz BJJIMNVVAQJTMA-ZIAGYGMSSA-N 0 0 267.438 3.238 10 30 CGEERN C[C@H](C#N)CNC(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000248433646 334301587 /nfs/dbraw/zinc/30/15/87/334301587.db2.gz DIWNBFQNIJKCMB-XUJVJEKNSA-N 0 0 271.364 3.084 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000250680923 334348465 /nfs/dbraw/zinc/34/84/65/334348465.db2.gz YLCUGOUPTZVVDS-YFKTTZPYSA-N 0 0 288.313 3.164 10 30 CGEERN N#CC1(C(=O)N[C@@H]2CCCc3cc(F)ccc32)CCCC1 ZINC000157764673 334783588 /nfs/dbraw/zinc/78/35/88/334783588.db2.gz QHVWUJYHPXDVFL-OAHLLOKOSA-N 0 0 286.350 3.403 10 30 CGEERN COc1ccc(Cl)c(N[C@H]2CCC[C@@H]2C#N)c1 ZINC000054827460 524187179 /nfs/dbraw/zinc/18/71/79/524187179.db2.gz XZPLAKBDBBBACV-SKDRFNHKSA-N 0 0 250.729 3.453 10 30 CGEERN C[C@@H]1CCO[C@H]1C(=O)NC[C@H]1CCO[C@@H]1c1ccccc1 ZINC000328612737 524542007 /nfs/dbraw/zinc/54/20/07/524542007.db2.gz PPINELCFWHONGW-DTZQCDIJSA-N 0 0 289.375 3.146 10 30 CGEERN N#Cc1ccc(NC[C@@H]2C[C@@]23CCCc2ccccc23)nn1 ZINC000301957128 534795837 /nfs/dbraw/zinc/79/58/37/534795837.db2.gz LECXYTIPTOTDHC-KSSFIOAISA-N 0 0 290.370 3.054 10 30 CGEERN C[C@@H]1CN(c2ccc(C#N)cc2Cl)CC(C)(C)O1 ZINC000062793824 525063075 /nfs/dbraw/zinc/06/30/75/525063075.db2.gz XIBOSPGZSPXAPS-SNVBAGLBSA-N 0 0 264.756 3.215 10 30 CGEERN C[C@@H]1C[C@@H](C)CCN1c1cc(Cl)ccc1/C(N)=N/O ZINC000062789546 525201191 /nfs/dbraw/zinc/20/11/91/525201191.db2.gz FLLPZHYQSBFHAP-VHSXEESVSA-N 0 0 281.787 3.059 10 30 CGEERN Cc1cc(NCc2ccccc2[N+](=O)[O-])c(C#N)c(C)n1 ZINC000156840511 525279581 /nfs/dbraw/zinc/27/95/81/525279581.db2.gz MBTJFCYIUCUABZ-UHFFFAOYSA-N 0 0 282.303 3.090 10 30 CGEERN N#Cc1c(Cl)cccc1Sc1ncnc2[nH]cnc21 ZINC000052909244 526520709 /nfs/dbraw/zinc/52/07/09/526520709.db2.gz DNUSLGBAHBGIPG-UHFFFAOYSA-N 0 0 287.735 3.029 10 30 CGEERN N#Cc1ccc(Cl)cc1Sc1ccncc1N ZINC000062786384 526636667 /nfs/dbraw/zinc/63/66/67/526636667.db2.gz PCNMEXFIHFSQHM-UHFFFAOYSA-N 0 0 261.737 3.340 10 30 CGEERN CCCC#CC#CCC/C=C/C=C/C(=O)NCC(C)C ZINC000001531091 560181509 /nfs/dbraw/zinc/18/15/09/560181509.db2.gz CAZNLADLZFVEBY-SQIWNDBBSA-N 0 0 271.404 3.458 10 30 in-vitro CGEERN COC(=O)CC1([C@@H]2CO2)CCC(C(C)(C)C)CC1 ZINC000675052245 572549884 /nfs/dbraw/zinc/54/98/84/572549884.db2.gz BYRKLTMMFDNUBO-AVERBVTBSA-N 0 0 254.370 3.171 10 30 CGEERN N#C[C@H](COC(=O)[C@H]1C[C@H]1C1CC1)Cc1cccs1 ZINC000246447310 617717272 /nfs/dbraw/zinc/71/72/72/617717272.db2.gz PAKMQXBRCUXISZ-SWHYSGLUSA-N 0 0 275.373 3.020 10 30 CGEERN C=C(C)COC(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000174021667 620277617 /nfs/dbraw/zinc/27/76/17/620277617.db2.gz NHSUPOHWFIXASE-QWHCGFSZSA-N 0 0 297.395 3.189 10 30 CGEERN C#CCCCNC(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000179233890 620373912 /nfs/dbraw/zinc/37/39/12/620373912.db2.gz DMKCUFIUAUZCCQ-XJKSGUPXSA-N 0 0 270.376 3.338 10 30 CGEERN C#CCC(C)(C)C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000185973659 625498686 /nfs/dbraw/zinc/49/86/86/625498686.db2.gz HMHIDFXBPGHJFQ-OAHLLOKOSA-N 0 0 273.351 3.369 10 30 CGEERN C#C[C@@H](C)NC(=O)N[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000186019158 625504785 /nfs/dbraw/zinc/50/47/85/625504785.db2.gz DBMZLDBSMWMZSK-ZIAGYGMSSA-N 0 0 288.391 3.103 10 30 CGEERN CC(=O)[C@H]1CCCN(c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000163882362 622805230 /nfs/dbraw/zinc/80/52/30/622805230.db2.gz SITPSISSYNEDGT-NSHDSACASA-N 0 0 296.292 3.382 10 30 CGEERN CC(C)(C)OC(=O)N[C@H](CC=O)c1ccccc1Cl ZINC000238156121 624741319 /nfs/dbraw/zinc/74/13/19/624741319.db2.gz NFDWYXHKMFFRJB-GFCCVEGCSA-N 0 0 283.755 3.495 10 30 CGEERN C=CCCC[C@@H](C)NC(=O)N[C@H]1COc2ccccc21 ZINC000180637373 624763864 /nfs/dbraw/zinc/76/38/64/624763864.db2.gz IDXOZNTXRPMFKT-OCCSQVGLSA-N 0 0 274.364 3.164 10 30 CGEERN C#CCCCCC(=O)O[C@H](C)c1nc2ccccc2[nH]1 ZINC000180748948 624770061 /nfs/dbraw/zinc/77/00/61/624770061.db2.gz VTUBVAPYJVGQCD-GFCCVEGCSA-N 0 0 270.332 3.361 10 30 CGEERN CC1(C)Cc2cc(CN[C@@H]3CCC[C@H]3C#N)ccc2O1 ZINC000071170411 625061863 /nfs/dbraw/zinc/06/18/63/625061863.db2.gz UCUUHJZLKZTZQS-DZGCQCFKSA-N 0 0 270.376 3.182 10 30 CGEERN C=CCC1(C(=O)O[C@@H](C)C2CCOCC2)CCC1 ZINC000192246982 640360701 /nfs/dbraw/zinc/36/07/01/640360701.db2.gz BZYCMNSWKQQYSD-LBPRGKRZSA-N 0 0 252.354 3.091 10 30 CGEERN C#CC[C@H](OC(=O)[C@@H]1C[C@@H]1c1cccc(OC)c1)C1CC1 ZINC000079205630 640383818 /nfs/dbraw/zinc/38/38/18/640383818.db2.gz NSBGYALACRLRDR-ZACQAIPSSA-N 0 0 284.355 3.144 10 30 CGEERN CC(C)[C@H](C#N)OC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000246624257 640686453 /nfs/dbraw/zinc/68/64/53/640686453.db2.gz YAHMOCYCKKRYHX-WDMOLILDSA-N 0 0 279.286 3.160 10 30 CGEERN CC(C)NC=CC(=O)c1ccc(Br)cc1 ZINC000096445805 640829825 /nfs/dbraw/zinc/82/98/25/640829825.db2.gz OTXPZPJRXCYPOW-FPLPWBNLSA-N 0 0 268.154 3.144 10 30 CGEERN C=CCC[C@H](C)OC(=O)/C=C\c1scnc1C ZINC000588521163 799705437 /nfs/dbraw/zinc/70/54/37/799705437.db2.gz HSLUYSDZCNSQGB-DMEOUFDRSA-N 0 0 251.351 3.363 10 30 CGEERN CCOc1cccc(/C=N\C[C@@H]2CCC(C)(C)O2)c1O ZINC000588523206 799705765 /nfs/dbraw/zinc/70/57/65/799705765.db2.gz RCURKYIFXUMHHI-NWRYFCBHSA-N 0 0 277.364 3.167 10 30 CGEERN C=C[C@@](C)(CCOC)COC(=O)/C=C(/C)C1CC1 ZINC000588551981 799710077 /nfs/dbraw/zinc/71/00/77/799710077.db2.gz DDFVULHHMGDSFU-WQTVUKCASA-N 0 0 252.354 3.115 10 30 CGEERN O=C1c2cc(Br)ccc2O/C1=C\c1cocn1 ZINC000588579060 799716622 /nfs/dbraw/zinc/71/66/22/799716622.db2.gz KNGDJUWMTQYDJF-WCIBSUBMSA-N 0 0 292.088 3.053 10 30 CGEERN CSc1ccc(C(=O)/C=C\c2cocn2)cc1F ZINC000588578734 799716878 /nfs/dbraw/zinc/71/68/78/799716878.db2.gz INTZMJFSKLWLJX-ARJAWSKDSA-N 0 0 263.293 3.432 10 30 CGEERN CC(C)Oc1ccc(C(=O)/C=C\c2cocn2)cc1 ZINC000588581098 799717274 /nfs/dbraw/zinc/71/72/74/799717274.db2.gz GDTXHCXVTQUOAR-YVMONPNESA-N 0 0 257.289 3.358 10 30 CGEERN C=CC(C)(C)CC[NH2+][C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000701908931 977052479 /nfs/dbraw/zinc/05/24/79/977052479.db2.gz SIKODNMZORCPLR-VIFPVBQESA-N 0 0 268.382 3.094 10 30 CGEERN C=CCNc1ccccc1C(=O)NC1CCCCC1 ZINC000095585450 185012848 /nfs/dbraw/zinc/01/28/48/185012848.db2.gz XGAGJYUVIDDHIJ-UHFFFAOYSA-N 0 0 258.365 3.347 10 30 CGEERN CCOC(=O)[C@@]1(C#N)C[C@@H]1c1ccc(Br)cc1 ZINC000095616834 185016145 /nfs/dbraw/zinc/01/61/45/185016145.db2.gz GITKMPNCZJGOCJ-DGCLKSJQSA-N 0 0 294.148 3.009 10 30 CGEERN CCCCCCCOc1ccc(N)cc1CS(C)(=O)=O ZINC000003638415 344859016 /nfs/dbraw/zinc/85/90/16/344859016.db2.gz XJGZNQXXCXXZJG-UHFFFAOYSA-N 0 0 299.436 3.163 10 30 CGEERN CCCC[C@H](CC)CN=C(NC#N)Nc1cccnc1 ZINC000026577770 344907521 /nfs/dbraw/zinc/90/75/21/344907521.db2.gz OERBLOPYVWZMRH-ZDUSSCGKSA-N 0 0 273.384 3.137 10 30 CGEERN Cc1ccc(Br)cc1N[C@H](C)CC#N ZINC000037871514 344953653 /nfs/dbraw/zinc/95/36/53/344953653.db2.gz GZTBZMBDWIGRBM-SECBINFHSA-N 0 0 253.143 3.472 10 30 CGEERN C[C@@]1(O)CC(=O)C=C(c2ccc(F)c(Br)c2)C1 ZINC000040174954 344960935 /nfs/dbraw/zinc/96/09/35/344960935.db2.gz MTTRESMARWOLLI-ZDUSSCGKSA-N 0 0 299.139 3.086 10 30 CGEERN CC1(C)C(=O)c2ccc(C(F)(F)F)cc2[C@@H]2O[C@@H]21 ZINC000034412577 344938958 /nfs/dbraw/zinc/93/89/58/344938958.db2.gz KTVUBFZJAWCBJP-ONGXEEELSA-N 0 0 256.223 3.368 10 30 CGEERN CCCCCCCCc1c(N)n2ncnc2nc1CC ZINC000059228186 345206505 /nfs/dbraw/zinc/20/65/05/345206505.db2.gz GGKQIOFASHYUJZ-UHFFFAOYSA-N 0 0 275.400 3.172 10 30 in-vitro CGEERN N#C[C@H]1CCC[C@H]1NC(=O)c1cc2sccc2s1 ZINC000093655732 345884466 /nfs/dbraw/zinc/88/44/66/345884466.db2.gz AQFDIXBDGJZKMA-RKDXNWHRSA-N 0 0 276.386 3.385 10 30 CGEERN C=C[C@H](COCc1ccccc1)OC(=O)CC(C)C ZINC000113500810 345961038 /nfs/dbraw/zinc/96/10/38/345961038.db2.gz DFTDHCKJFZFFIG-OAHLLOKOSA-N 0 0 262.349 3.347 10 30 CGEERN COc1ccc(/C=C/C(=O)c2ccc(OC)nc2)c(F)c1 ZINC000116047313 345975270 /nfs/dbraw/zinc/97/52/70/345975270.db2.gz BLHYADVAQRPEDM-QPJJXVBHSA-N 0 0 287.290 3.134 10 30 CGEERN C[C@H](OS(C)(=O)=O)c1c(Cl)ccc(F)c1Cl ZINC000118864756 345991001 /nfs/dbraw/zinc/99/10/01/345991001.db2.gz OPCWPQMTGTWVDG-YFKPBYRVSA-N 0 0 287.139 3.170 10 30 CGEERN CC(C)[C@@H](C)NC(=O)[C@H](Oc1ccccc1C#N)C(C)C ZINC000129087688 346046351 /nfs/dbraw/zinc/04/63/51/346046351.db2.gz GBHHVLRHKFFKDE-CZUORRHYSA-N 0 0 288.391 3.122 10 30 CGEERN Cc1cccc(N[C@@H](C)CC#N)c1Br ZINC000131773858 346067500 /nfs/dbraw/zinc/06/75/00/346067500.db2.gz MKLSVJAWJSYEJW-VIFPVBQESA-N 0 0 253.143 3.472 10 30 CGEERN C=C(C)CC(=O)c1cc(Br)ccc1N ZINC000132739573 346073149 /nfs/dbraw/zinc/07/31/49/346073149.db2.gz RXJDURGNOFVVRV-UHFFFAOYSA-N 0 0 254.127 3.180 10 30 CGEERN N#CCNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000136514400 346091696 /nfs/dbraw/zinc/09/16/96/346091696.db2.gz ILGODYPXOOMTJJ-UHFFFAOYSA-N 0 0 278.311 3.049 10 30 CGEERN CC(C)(C#N)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000141294522 346107868 /nfs/dbraw/zinc/10/78/68/346107868.db2.gz XDAJPTXDODFCRJ-UHFFFAOYSA-N 0 0 258.199 3.415 10 30 CGEERN N#Cc1sc2c(cnc3cc(F)c(F)cc23)c1N ZINC000145606367 346121134 /nfs/dbraw/zinc/12/11/34/346121134.db2.gz YVZGNIOKIBJUSQ-UHFFFAOYSA-N 0 0 261.256 3.182 10 30 CGEERN N#CN=C(Nc1cccc(F)c1F)Oc1ccccc1 ZINC000147688001 346127059 /nfs/dbraw/zinc/12/70/59/346127059.db2.gz YYYVSFXYOYGPNA-UHFFFAOYSA-N 0 0 273.242 3.293 10 30 CGEERN CC(=O)SCCC(F)(C(F)(F)F)C(F)(F)F ZINC000148330669 346128332 /nfs/dbraw/zinc/12/83/32/346128332.db2.gz RRZDHOAZQMLOTR-UHFFFAOYSA-N 0 0 272.185 3.489 10 30 CGEERN CC(C)c1ccc([C@H](C)CC(=O)N[C@H](C)C#N)cc1 ZINC000157356630 346161218 /nfs/dbraw/zinc/16/12/18/346161218.db2.gz BVSRALBUILTZIS-CHWSQXEVSA-N 0 0 258.365 3.332 10 30 CGEERN C=CCC(=O)c1csc(I)c1 ZINC000164381936 346182287 /nfs/dbraw/zinc/18/22/87/346182287.db2.gz XAQZZYUXZSTOQF-UHFFFAOYSA-N 0 0 278.114 3.112 10 30 CGEERN C=C(Cl)CNc1ccc(N)cc1Br ZINC000168168498 346189445 /nfs/dbraw/zinc/18/94/45/346189445.db2.gz GROKWTNXDUEBGT-UHFFFAOYSA-N 0 0 261.550 3.196 10 30 CGEERN COc1ccccc1[C@]1(Cl)c2cc(C#N)ccc2NC1=O ZINC000168098002 346189673 /nfs/dbraw/zinc/18/96/73/346189673.db2.gz LBPMEEKSATXQNE-INIZCTEOSA-N 0 0 298.729 3.001 10 30 CGEERN Cn1nc(C(F)F)cc1C(F)(F)C(F)(F)F ZINC000224339151 346301655 /nfs/dbraw/zinc/30/16/55/346301655.db2.gz YNGCHFGJTHANBE-UHFFFAOYSA-N 0 0 250.117 3.012 10 30 CGEERN C=C[C@@H](C)Nc1cc(OC)ccc1Br ZINC000234827384 346332326 /nfs/dbraw/zinc/33/23/26/346332326.db2.gz ZUOGMZDJZUKWBE-MRVPVSSYSA-N 0 0 256.143 3.444 10 30 CGEERN C[C@H]1C[C@H]1Nc1cc(Br)cc(C#N)c1 ZINC000227616056 346310122 /nfs/dbraw/zinc/31/01/22/346310122.db2.gz DOPMRJBBVIYQEM-WRWORJQWSA-N 0 0 251.127 3.141 10 30 CGEERN Cc1c(CN[C@@H]2CCCC[C@H]2C#N)cccc1[N+](=O)[O-] ZINC000231885363 346323746 /nfs/dbraw/zinc/32/37/46/346323746.db2.gz LFJKTVOTPNIMRI-GXTWGEPZSA-N 0 0 273.336 3.075 10 30 CGEERN O=C(c1cc(F)c(F)cc1F)C(F)(F)C(F)F ZINC000236189212 346339905 /nfs/dbraw/zinc/33/99/05/346339905.db2.gz WEBUABPHOFBQNH-UHFFFAOYSA-N 0 0 260.108 3.187 10 30 CGEERN N#Cc1sc(-c2ccoc2Br)cc1N ZINC000236358268 346340483 /nfs/dbraw/zinc/34/04/83/346340483.db2.gz XYNHEQHNJBCSAY-UHFFFAOYSA-N 0 0 269.123 3.224 10 30 CGEERN C[C@H](Nc1ccnc(C#N)n1)c1cccc(Cl)c1 ZINC000310837872 346472370 /nfs/dbraw/zinc/47/23/70/346472370.db2.gz HBJQUYYVMQEQKY-VIFPVBQESA-N 0 0 258.712 3.175 10 30 CGEERN CCC(C#N)(CC)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000393301857 346575724 /nfs/dbraw/zinc/57/57/24/346575724.db2.gz YKKZDXMTMIIPPS-UHFFFAOYSA-N 0 0 274.408 3.257 10 30 CGEERN N#CCc1c(C(F)(F)F)cc(N)cc1C(F)(F)F ZINC000514261386 346635646 /nfs/dbraw/zinc/63/56/46/346635646.db2.gz MWKASKGHZOUIEW-UHFFFAOYSA-N 0 0 268.160 3.372 10 30 CGEERN N#Cc1ccc(C(F)(F)F)c(C(F)(F)F)c1CO ZINC000514260800 346635810 /nfs/dbraw/zinc/63/58/10/346635810.db2.gz IGCOPAYQCSJEFB-UHFFFAOYSA-N 0 0 269.144 3.088 10 30 CGEERN N#Cc1ccc(CN2C(=O)CCc3ccccc32)cc1 ZINC000019504963 136577662 /nfs/dbraw/zinc/57/76/62/136577662.db2.gz KFFLQQICMCUKQF-UHFFFAOYSA-N 0 0 262.312 3.038 10 30 CGEERN CSc1ccc(CC[C@H](C)N=C(C)NC#N)cc1 ZINC000584601641 346689791 /nfs/dbraw/zinc/68/97/91/346689791.db2.gz GQMQTVKNYBCERB-NSHDSACASA-N 0 0 261.394 3.219 10 30 CGEERN CCCO[C@](O)(C=O)c1ccc(-c2ccccc2)cc1 ZINC000584611576 346692493 /nfs/dbraw/zinc/69/24/93/346692493.db2.gz GLBWBEICAAVUML-QGZVFWFLSA-N 0 0 270.328 3.124 10 30 CGEERN O=C1C=C(c2cccc([N+](=O)[O-])c2)C(=O)c2ccccc21 ZINC000584615638 346693788 /nfs/dbraw/zinc/69/37/88/346693788.db2.gz XKHVKZJESBOJEA-UHFFFAOYSA-N 0 0 279.251 3.057 10 30 CGEERN O=C1CCCCC1=Nc1ccccc1Br ZINC000584621904 346695745 /nfs/dbraw/zinc/69/57/45/346695745.db2.gz VHTCQLFMRQSWDS-UHFFFAOYSA-N 0 0 266.138 3.498 10 30 CGEERN N#C[C@](Br)([N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000584621932 346695969 /nfs/dbraw/zinc/69/59/69/346695969.db2.gz ZLRDQJXLEOAJOJ-SXVYVOEYSA-N 0 0 299.168 3.094 10 30 CGEERN N#Cc1c(Cl)nc(Cl)cc1-c1ccncc1 ZINC000584623628 346696413 /nfs/dbraw/zinc/69/64/13/346696413.db2.gz ANYICQUTAPSOHD-UHFFFAOYSA-N 0 0 250.088 3.322 10 30 CGEERN CC[N@@H+]1CC[C@@H]([C@](C#N)(c2ccccc2)c2cccnc2)C1 ZINC000584633492 346699715 /nfs/dbraw/zinc/69/97/15/346699715.db2.gz NDMOYDOOJSHJCQ-RTBURBONSA-N 0 0 291.398 3.233 10 30 CGEERN N#C[C@@H](c1cscn1)[C@@H](CCO)c1c(F)cccc1F ZINC000584636997 346701082 /nfs/dbraw/zinc/70/10/82/346701082.db2.gz CUYXRTVSQQHSLG-NXEZZACHSA-N 0 0 294.326 3.195 10 30 CGEERN CCCCCCCCC(=O)N(C)C[C@@H](C)C(=O)OC ZINC000103433175 185840157 /nfs/dbraw/zinc/84/01/57/185840157.db2.gz UPEMBYFPMKFLFY-CYBMUJFWSA-N 0 0 271.401 3.005 10 30 CGEERN CCCc1c(Cl)ncnc1N(CC)C[C@@H](C)C#N ZINC000104212412 185932662 /nfs/dbraw/zinc/93/26/62/185932662.db2.gz CRMQHZZEMOOMGY-JTQLQIEISA-N 0 0 266.776 3.068 10 30 CGEERN N#CCc1cc(OC(F)(F)F)ccc1OC(F)F ZINC000616576677 348834165 /nfs/dbraw/zinc/83/41/65/348834165.db2.gz XWMAVPHJVQBZJS-UHFFFAOYSA-N 0 0 267.153 3.253 10 30 CGEERN CC(C)=C1C[C@@H]2O[C@]2(C)CC[C@@]2(C)O[C@]2(C)CC1=O ZINC000616582485 348836256 /nfs/dbraw/zinc/83/62/56/348836256.db2.gz RYPQSMYGLNJQAI-ZJIFWQFVSA-N 0 0 264.365 3.171 10 30 CGEERN CCOC(=O)N1CCCC[C@@H]1c1cccc(C#N)c1 ZINC000616623205 348849181 /nfs/dbraw/zinc/84/91/81/348849181.db2.gz CLIBUSRTLUYKRL-CQSZACIVSA-N 0 0 258.321 3.242 10 30 CGEERN COC(=O)N1C[C@@H](c2ccc(C#N)cc2)Cc2ccccc21 ZINC000616671274 348861949 /nfs/dbraw/zinc/86/19/49/348861949.db2.gz KWZVAFLFMRBXDW-INIZCTEOSA-N 0 0 292.338 3.471 10 30 CGEERN CCC(CC)[C@@H](C)NC(=O)Cc1ccc(C#N)cc1 ZINC000104433258 186000544 /nfs/dbraw/zinc/00/05/44/186000544.db2.gz FXDXTBYASFSASW-GFCCVEGCSA-N 0 0 258.365 3.042 10 30 CGEERN N#Cc1ccc2ncc(CN3CCC[C@@H]3c3ccco3)n2c1 ZINC000093335141 138344818 /nfs/dbraw/zinc/34/48/18/138344818.db2.gz JJVNFRQZRCSCJT-OAHLLOKOSA-N 0 0 292.342 3.136 10 30 CGEERN Cc1cnc(CCNc2ccc(C#N)cc2F)s1 ZINC000301411481 201000039 /nfs/dbraw/zinc/00/00/39/201000039.db2.gz KJQWDIAVLCWDQQ-UHFFFAOYSA-N 0 0 261.325 3.117 10 30 CGEERN CCS[C@H]1CC[C@]1(O)CNc1ccc(Cl)cc1C#N ZINC000301495793 201030335 /nfs/dbraw/zinc/03/03/35/201030335.db2.gz SUUKTHLKNZRQHB-KBPBESRZSA-N 0 0 296.823 3.270 10 30 CGEERN CCSC[C@@H](C)N(C)c1ccc(F)cc1C#N ZINC000301733098 201166089 /nfs/dbraw/zinc/16/60/89/201166089.db2.gz FWLOHOCGIXYRSQ-SNVBAGLBSA-N 0 0 252.358 3.275 10 30 CGEERN CO[C@@H]1CCC[C@@H](Nc2c(F)cc(C#N)cc2F)C1 ZINC000301775252 201189514 /nfs/dbraw/zinc/18/95/14/201189514.db2.gz LAIKRYTXTWWCFZ-GHMZBOCLSA-N 0 0 266.291 3.206 10 30 CGEERN N#Cc1cccc(N2CCC[C@H]2c2nc3ccccc3[nH]2)n1 ZINC000301861447 201237272 /nfs/dbraw/zinc/23/72/72/201237272.db2.gz TYYMUPDWSIEQRH-HNNXBMFYSA-N 0 0 289.342 3.171 10 30 CGEERN C=C(C)CS(=O)(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000188248909 189495796 /nfs/dbraw/zinc/49/57/96/189495796.db2.gz OSQZUXXIJKEIRE-CYBMUJFWSA-N 0 0 289.400 3.396 10 30 CGEERN C=C[C@@](C)(CC)C(=O)N[C@H](C)COCc1ccccc1 ZINC000188462205 189503949 /nfs/dbraw/zinc/50/39/49/189503949.db2.gz MGMSGDMSWICPHZ-PBHICJAKSA-N 0 0 275.392 3.310 10 30 CGEERN CCOC(=O)c1ccc(/N=C/c2cccnc2)cc1 ZINC000000498797 368380345 /nfs/dbraw/zinc/38/03/45/368380345.db2.gz GNIJCDQVSPKPCR-GZTJUZNOSA-N 0 0 254.289 3.009 10 30 CGEERN CCCCSc1nc(C)cc(COC)c1C#N ZINC000013228361 368647553 /nfs/dbraw/zinc/64/75/53/368647553.db2.gz SIOSTPAOSSCEPG-UHFFFAOYSA-N 0 0 250.367 3.300 10 30 CGEERN CC1CC(C#N)(C(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000124134491 370920480 /nfs/dbraw/zinc/92/04/80/370920480.db2.gz UOLMRQZDLSYELT-VXKCQOAXSA-N 0 0 268.360 3.120 10 30 CGEERN Nc1ccc(OC(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000032625274 368938736 /nfs/dbraw/zinc/93/87/36/368938736.db2.gz GUSPZAGYPIMRDQ-UHFFFAOYSA-N 0 0 277.139 3.438 10 30 CGEERN C[C@H](NC(=O)CSCC#N)c1ccc2ccccc2c1 ZINC000033020036 368956777 /nfs/dbraw/zinc/95/67/77/368956777.db2.gz WBHAHPBBWRZLLT-LBPRGKRZSA-N 0 0 284.384 3.274 10 30 CGEERN O=[N+]([O-])c1ccc(NN=C2CCc3ccccc32)cc1 ZINC000033423119 368964876 /nfs/dbraw/zinc/96/48/76/368964876.db2.gz DRJJKYKEDZNWNA-ICFOKQHNSA-N 0 0 267.288 3.357 10 30 CGEERN CC(C)(C#N)COc1ccc(Br)cc1 ZINC000041324112 369181641 /nfs/dbraw/zinc/18/16/41/369181641.db2.gz CXMGOKHZQUBTNG-UHFFFAOYSA-N 0 0 254.127 3.378 10 30 CGEERN COc1ccc(-c2ccc(/C=N/O)o2)cc1Cl ZINC000049839097 369416996 /nfs/dbraw/zinc/41/69/96/369416996.db2.gz FTZBVJJOHQCUTI-VGOFMYFVSA-N 0 0 251.669 3.417 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NCc1ccc(F)c(Cl)c1 ZINC000054830010 369507542 /nfs/dbraw/zinc/50/75/42/369507542.db2.gz NQDORBMNWCTHIV-MFKMUULPSA-N 0 0 252.720 3.261 10 30 CGEERN Cc1cc(C)c(C(=O)N[C@H]2CCC[C@@H]2C#N)c(C)c1 ZINC000061888872 369609702 /nfs/dbraw/zinc/60/97/02/369609702.db2.gz IHBHUHRNTKJQMW-KGLIPLIRSA-N 0 0 256.349 3.034 10 30 CGEERN C=C(OC)C(C(C)=O)C(=O)c1ccc(Cl)cc1 ZINC000072416121 369818132 /nfs/dbraw/zinc/81/81/32/369818132.db2.gz MTGQSRWLDLIEHZ-FMIVXFBMSA-N 0 0 252.697 3.032 10 30 CGEERN N#Cc1c(=O)[n-]c(-c2cccs2)cc1-c1ccoc1 ZINC000082048633 369998187 /nfs/dbraw/zinc/99/81/87/369998187.db2.gz PIVAYLXEQUTNGG-UHFFFAOYSA-N 0 0 268.297 3.235 10 30 CGEERN N#CC1(c2ccc(OC(F)(F)F)cc2)CCOCC1 ZINC000087493585 370027389 /nfs/dbraw/zinc/02/73/89/370027389.db2.gz WETNJEVVDJKARK-UHFFFAOYSA-N 0 0 271.238 3.157 10 30 CGEERN N#Cc1ccc(CN2CCC(Nc3ccccc3F)CC2)o1 ZINC000093607907 370146367 /nfs/dbraw/zinc/14/63/67/370146367.db2.gz AJBPGMPJYLPJPM-UHFFFAOYSA-N 0 0 299.349 3.367 10 30 CGEERN COc1ccc2c(c1)oc1c2CC[C@](C)(C#N)C1=O ZINC000098181262 370269350 /nfs/dbraw/zinc/26/93/50/370269350.db2.gz OESHHDKHWUCFHI-OAHLLOKOSA-N 0 0 255.273 3.100 10 30 CGEERN CCCCCCCC(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000110884180 370390520 /nfs/dbraw/zinc/39/05/20/370390520.db2.gz PUFKNVDJGICXTP-CYBMUJFWSA-N 0 0 296.436 3.404 10 30 CGEERN N#Cc1cccc(NC(=O)N2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000115171409 370524091 /nfs/dbraw/zinc/52/40/91/370524091.db2.gz UIGMEFXSVUJURE-HNNXBMFYSA-N 0 0 295.346 3.040 10 30 CGEERN C[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1ccccc1C#N ZINC000117566313 370594546 /nfs/dbraw/zinc/59/45/46/370594546.db2.gz KNAOUWXEEKZFGE-BDJLRTHQSA-N 0 0 278.311 3.061 10 30 CGEERN C[C@@H](NC(=O)CC#N)c1c(Cl)ccc(F)c1Cl ZINC000132356631 371168060 /nfs/dbraw/zinc/16/80/60/371168060.db2.gz RJXOOWGBTNAXGU-ZCFIWIBFSA-N 0 0 275.110 3.223 10 30 CGEERN C=CCC[C@@H](NC(=O)[C@H](C)COC)c1ccccc1 ZINC000133677401 371271912 /nfs/dbraw/zinc/27/19/12/371271912.db2.gz LXDBUFKGXKEYSX-UKRRQHHQSA-N 0 0 261.365 3.093 10 30 CGEERN C=CCCO[C@@H](C)C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000157925470 372044300 /nfs/dbraw/zinc/04/43/00/372044300.db2.gz MLCYJTKWQVQUMX-BLLLJJGKSA-N 0 0 291.366 3.301 10 30 CGEERN C=C(C)CN(CC)C(=O)N[C@@H](C)COCc1ccccc1 ZINC000173333848 373126467 /nfs/dbraw/zinc/12/64/67/373126467.db2.gz NCXISNQWFRVQAQ-HNNXBMFYSA-N 0 0 290.407 3.199 10 30 CGEERN N#Cc1cc(Cl)ccc1N1CCC[C@H](n2cccn2)C1 ZINC000301179406 373684532 /nfs/dbraw/zinc/68/45/32/373684532.db2.gz HFNQCXKKFUUKFL-AWEZNQCLSA-N 0 0 286.766 3.250 10 30 CGEERN Cc1c(C#N)cccc1NC(=O)N[C@@H](C)CC1CC1 ZINC000178551913 373791337 /nfs/dbraw/zinc/79/13/37/373791337.db2.gz LMZHFTGXHMVMSF-JTQLQIEISA-N 0 0 257.337 3.177 10 30 CGEERN C#CCN(C)c1ncc(Br)c2ccsc21 ZINC000306808730 374138604 /nfs/dbraw/zinc/13/86/04/374138604.db2.gz PXWADOYJRQJRIK-UHFFFAOYSA-N 0 0 281.178 3.128 10 30 CGEERN O=C(CCC1CCOCC1)N[C@H]1CCC(=O)NC12CCC2 ZINC000328757056 374380221 /nfs/dbraw/zinc/38/02/21/374380221.db2.gz UTWDUJPOJIDTAW-ZDUSSCGKSA-N 0 0 294.395 3.191 10 30 CGEERN C=CCC1(C(=O)N2CCC[C@H](n3cc(C)cn3)C2)CCC1 ZINC000191348825 375614611 /nfs/dbraw/zinc/61/46/11/375614611.db2.gz BRXQQWACRXAWTD-HNNXBMFYSA-N 0 0 287.407 3.101 10 30 CGEERN C#CCCCC(=O)Oc1ccc(F)cc1Br ZINC000192063852 375693734 /nfs/dbraw/zinc/69/37/34/375693734.db2.gz LOVAAAPDQLHHDZ-UHFFFAOYSA-N 0 0 285.112 3.297 10 30 CGEERN C#CCCCC(=O)N[C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000192170988 375705840 /nfs/dbraw/zinc/70/58/40/375705840.db2.gz BOEIFTKPLLTIOL-GUYCJALGSA-N 0 0 255.361 3.148 10 30 CGEERN C/C=C\C[C@H](COCc1ccccc1)OC/C=N/O ZINC000216144389 376158547 /nfs/dbraw/zinc/15/85/47/376158547.db2.gz SDFIKCQYVPRDBJ-XVEFAYGVSA-N 0 0 263.337 3.015 10 30 CGEERN CSc1ccc(NC(=O)/N=C2/CCCN2C)cc1 ZINC000198824639 376122597 /nfs/dbraw/zinc/12/25/97/376122597.db2.gz RPFGNSAOKCEQEU-QINSGFPZSA-N 0 0 263.366 3.065 10 30 CGEERN C=C(C)CN1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000246880464 377109476 /nfs/dbraw/zinc/10/94/76/377109476.db2.gz WTHPTTYOXHTFLK-KBPBESRZSA-N 0 0 285.309 3.389 10 30 CGEERN N#Cc1cc(Cl)ccc1CN1CCO[C@@H]2CCCC[C@H]21 ZINC000248579855 377354671 /nfs/dbraw/zinc/35/46/71/377354671.db2.gz VKGBQPFDLCFZGO-HZPDHXFCSA-N 0 0 290.794 3.355 10 30 CGEERN Cc1cccc(N=C2c3ccccc3N(C)C2=O)c1C ZINC000252597777 377641355 /nfs/dbraw/zinc/64/13/55/377641355.db2.gz CVIFGEOHUBUOSY-UHFFFAOYSA-N 0 0 264.328 3.401 10 30 CGEERN Cc1nc(C#N)cc(-c2ccc(Br)cc2)n1 ZINC000259077483 377801627 /nfs/dbraw/zinc/80/16/27/377801627.db2.gz AXUKIYNYPBHOEX-UHFFFAOYSA-N 0 0 274.121 3.086 10 30 CGEERN C[C@@H]1O[C@@]1(C)C(=O)/C=C/c1ccc(Br)cc1 ZINC000256008078 377791409 /nfs/dbraw/zinc/79/14/09/377791409.db2.gz VZAQCPPALSJCEM-CWVOPPJFSA-N 0 0 281.149 3.209 10 30 CGEERN CCOC(=O)Cc1cc(CC)c(C#N)c(C(F)(F)F)c1 ZINC000575389564 377897785 /nfs/dbraw/zinc/89/77/85/377897785.db2.gz JGQALMMWGLOKKH-UHFFFAOYSA-N 0 0 285.265 3.245 10 30 CGEERN N#Cc1cc(N)cc(C(F)(F)F)c1C(F)(F)F ZINC000575341346 377882088 /nfs/dbraw/zinc/88/20/88/377882088.db2.gz UPISUPJCJWNYPF-UHFFFAOYSA-N 0 0 254.133 3.178 10 30 CGEERN COC(=O)c1c(F)c(C#N)ccc1SC(F)(F)F ZINC000575390703 377900429 /nfs/dbraw/zinc/90/04/29/377900429.db2.gz SCKLDBNIDLAZCC-UHFFFAOYSA-N 0 0 279.214 3.096 10 30 CGEERN CCOC(=O)c1cc(F)c(C#N)cc1SC(F)(F)F ZINC000575390606 377899146 /nfs/dbraw/zinc/89/91/46/377899146.db2.gz FCGVFYSNURQCON-UHFFFAOYSA-N 0 0 293.241 3.486 10 30 CGEERN N#CCc1cc(C(F)(F)F)c(C(F)(F)F)cc1N ZINC000575380459 377891392 /nfs/dbraw/zinc/89/13/92/377891392.db2.gz ABAVWVIJFGCWLW-UHFFFAOYSA-N 0 0 268.160 3.372 10 30 CGEERN CCOC(=O)c1c(C#N)cc(Cl)cc1C(F)(F)F ZINC000575383356 377893733 /nfs/dbraw/zinc/89/37/33/377893733.db2.gz QXRPUSNFCIXRKJ-UHFFFAOYSA-N 0 0 277.629 3.407 10 30 CGEERN CCOC(=O)c1cc(C(F)F)c(OC(F)F)cc1C#N ZINC000575385310 377894694 /nfs/dbraw/zinc/89/46/94/377894694.db2.gz JZEKFOWHJQYBBE-UHFFFAOYSA-N 0 0 291.200 3.274 10 30 CGEERN CCOC(=O)c1c(C#N)ccc(OC(F)(F)F)c1CC ZINC000575389107 377896413 /nfs/dbraw/zinc/89/64/13/377896413.db2.gz YGVXYNUWHMZRRC-UHFFFAOYSA-N 0 0 287.237 3.196 10 30 CGEERN CCOC(=O)c1cc(SC(F)(F)F)cc(O)c1C#N ZINC000575392328 377899734 /nfs/dbraw/zinc/89/97/34/377899734.db2.gz SNHQZOKINGIOMT-UHFFFAOYSA-N 0 0 291.250 3.052 10 30 CGEERN COC(=O)Cc1c(F)cc(C#N)cc1SC(F)(F)F ZINC000575390725 377899775 /nfs/dbraw/zinc/89/97/75/377899775.db2.gz USHQSFLSGTUQMD-UHFFFAOYSA-N 0 0 293.241 3.025 10 30 CGEERN CCOC(=O)Cc1c(C#N)c(CC)ccc1C(F)F ZINC000575389777 377897543 /nfs/dbraw/zinc/89/75/43/377897543.db2.gz RKCANLCHESEMTF-UHFFFAOYSA-N 0 0 267.275 3.164 10 30 CGEERN CCOc1cc(Br)c(OCC)c(CC#N)c1 ZINC000575681117 377955552 /nfs/dbraw/zinc/95/55/52/377955552.db2.gz PNZGYBVZIGEBFA-UHFFFAOYSA-N 0 0 284.153 3.313 10 30 CGEERN CCOc1cc(CC#N)c(OC(F)F)cc1CC ZINC000575654568 377931621 /nfs/dbraw/zinc/93/16/21/377931621.db2.gz BHALIEJPBPOGQN-UHFFFAOYSA-N 0 0 255.264 3.315 10 30 CGEERN CCOc1c(CC)ccc(OC(F)F)c1CC#N ZINC000575655093 377932984 /nfs/dbraw/zinc/93/29/84/377932984.db2.gz HQKOMFSCHTXXIU-UHFFFAOYSA-N 0 0 255.264 3.315 10 30 CGEERN CCOc1ccc(OC(F)F)c(CC#N)c1CC ZINC000575656629 377933743 /nfs/dbraw/zinc/93/37/43/377933743.db2.gz RFAJKLONMJADGG-UHFFFAOYSA-N 0 0 255.264 3.315 10 30 CGEERN N#Cc1cc(OC(F)F)c(F)cc1C(F)(F)F ZINC000575659505 377935083 /nfs/dbraw/zinc/93/50/83/377935083.db2.gz HRSLEUDGBJTKGW-UHFFFAOYSA-N 0 0 255.117 3.318 10 30 CGEERN N#Cc1cc(C(F)(F)F)c(OC(F)F)cc1F ZINC000575659589 377935726 /nfs/dbraw/zinc/93/57/26/377935726.db2.gz JMPFDDVWAKJGQB-UHFFFAOYSA-N 0 0 255.117 3.318 10 30 CGEERN N#Cc1c(C(F)(F)F)ccc(F)c1OC(F)F ZINC000575660589 377937059 /nfs/dbraw/zinc/93/70/59/377937059.db2.gz TTZVJDNGNRGIKW-UHFFFAOYSA-N 0 0 255.117 3.318 10 30 CGEERN Cc1cc(OC(F)F)c(OC(F)(F)F)cc1C#N ZINC000575664518 377940573 /nfs/dbraw/zinc/94/05/73/377940573.db2.gz HAQNKGJCFTYBGM-UHFFFAOYSA-N 0 0 267.153 3.367 10 30 CGEERN Cc1ccc(C#N)c(OC(F)F)c1C(F)(F)F ZINC000575665697 377943445 /nfs/dbraw/zinc/94/34/45/377943445.db2.gz TYBCKZDOUYSPAA-UHFFFAOYSA-N 0 0 251.154 3.487 10 30 CGEERN Cc1c(C#N)ccc(OC(F)F)c1C(F)(F)F ZINC000575666708 377944154 /nfs/dbraw/zinc/94/41/54/377944154.db2.gz XUVVRFJYISWWJX-UHFFFAOYSA-N 0 0 251.154 3.487 10 30 CGEERN N#CCc1c(OC(F)F)c([N+](=O)[O-])ccc1C(F)(F)F ZINC000575666831 377944202 /nfs/dbraw/zinc/94/42/02/377944202.db2.gz LDIAZBQSKGTOFK-UHFFFAOYSA-N 0 0 296.151 3.281 10 30 CGEERN N#Cc1cc([N+](=O)[O-])c(C(F)(F)F)cc1OC(F)F ZINC000575668265 377945041 /nfs/dbraw/zinc/94/50/41/377945041.db2.gz VOAPXZSBKABNCU-UHFFFAOYSA-N 0 0 282.124 3.087 10 30 CGEERN N#CCc1ccc(Cl)c(Br)c1[N+](=O)[O-] ZINC000575677317 377951819 /nfs/dbraw/zinc/95/18/19/377951819.db2.gz IZXOMBPAOITOQZ-UHFFFAOYSA-N 0 0 275.489 3.077 10 30 CGEERN N#CCc1cc([N+](=O)[O-])cc(Br)c1Cl ZINC000575678690 377952698 /nfs/dbraw/zinc/95/26/98/377952698.db2.gz SXZUHPOCIGMODH-UHFFFAOYSA-N 0 0 275.489 3.077 10 30 CGEERN COC(=O)c1ccc(C)c(C#N)c1SC(F)(F)F ZINC000575395162 377902438 /nfs/dbraw/zinc/90/24/38/377902438.db2.gz PMJSAACPPPTFNH-UHFFFAOYSA-N 0 0 275.251 3.265 10 30 CGEERN Nc1ccc(OC(F)(F)F)c(C(F)(F)F)c1F ZINC000575397344 377903322 /nfs/dbraw/zinc/90/33/22/377903322.db2.gz LREQZNCYKHXALY-UHFFFAOYSA-N 0 0 263.112 3.325 10 30 CGEERN COc1c(Br)c(C)c(Cl)cc1C#N ZINC000575421731 377907632 /nfs/dbraw/zinc/90/76/32/377907632.db2.gz DDUIRDQBPJTFDW-UHFFFAOYSA-N 0 0 260.518 3.291 10 30 CGEERN C[C@@H]1CC(C)(C)C[C@@]1(C#N)NC(=O)OC(C)(C)C ZINC000575496058 377915119 /nfs/dbraw/zinc/91/51/19/377915119.db2.gz CZRSMRYCBRTRFE-YGRLFVJLSA-N 0 0 252.358 3.230 10 30 CGEERN Cc1c(C#N)c(Br)ccc1OC(F)F ZINC000575683625 377958515 /nfs/dbraw/zinc/95/85/15/377958515.db2.gz QTXUDTSYXFRWLQ-UHFFFAOYSA-N 0 0 262.053 3.231 10 30 CGEERN N#CCc1cc(C(F)(F)F)c(Br)cc1O ZINC000575689731 377964999 /nfs/dbraw/zinc/96/49/99/377964999.db2.gz CAWZRMDXBIJPMU-UHFFFAOYSA-N 0 0 280.043 3.240 10 30 CGEERN N#CCc1c(O)ccc(Br)c1C(F)(F)F ZINC000575692541 377968702 /nfs/dbraw/zinc/96/87/02/377968702.db2.gz XUQFSUUKLVUPSX-UHFFFAOYSA-N 0 0 280.043 3.240 10 30 CGEERN CC(C)c1nccnc1N(C)Cc1cccc(C#N)c1 ZINC000350507598 219031955 /nfs/dbraw/zinc/03/19/55/219031955.db2.gz ACWITZRNWNNDRV-UHFFFAOYSA-N 0 0 266.348 3.108 10 30 CGEERN C[C@H](NC(=O)CCc1nc2ccccc2o1)[C@H]1CCCO1 ZINC000328840572 542445296 /nfs/dbraw/zinc/44/52/96/542445296.db2.gz OGLHANDLKGPPEO-WCQYABFASA-N 0 0 288.347 3.284 10 30 CGEERN C=CC1CCN(C(=O)N[C@H](C)c2ccc(C)o2)CC1 ZINC000111462787 262263914 /nfs/dbraw/zinc/26/39/14/262263914.db2.gz ZVZKZAPFJBRRLW-GFCCVEGCSA-N 0 0 262.353 3.257 10 30 CGEERN C=C[C@H](O)C#CC#CC[C@H]1O[C@H]1CCCCCCC ZINC000100777313 260028389 /nfs/dbraw/zinc/02/83/89/260028389.db2.gz GVLDSGIQZAFIAN-YESZJQIVSA-N 0 0 260.377 3.058 10 30 endogenous,in-man CGEERN C/C(=N\OC(=O)COc1ccc(Cl)cc1)c1ccco1 ZINC000005725424 391925052 /nfs/dbraw/zinc/92/50/52/391925052.db2.gz DMOZXFVEHURLIX-MHWRWJLKSA-N 0 0 293.706 3.279 10 30 CGEERN C[C@H](C#N)Nc1cc(Cl)cc(Br)c1 ZINC000306498757 392639014 /nfs/dbraw/zinc/63/90/14/392639014.db2.gz GQXCVOKXJFIXLH-ZCFIWIBFSA-N 0 0 259.534 3.426 10 30 CGEERN Cc1csc2c1ncnc2N[C@@H]1CCC[C@@H]1C#N ZINC000408327840 392972433 /nfs/dbraw/zinc/97/24/33/392972433.db2.gz DLZOEGXNUOOWDY-NXEZZACHSA-N 0 0 258.350 3.104 10 30 CGEERN Cc1csc2c1ncnc2N[C@H]1CCC[C@H]1C#N ZINC000408327841 392971984 /nfs/dbraw/zinc/97/19/84/392971984.db2.gz DLZOEGXNUOOWDY-UWVGGRQHSA-N 0 0 258.350 3.104 10 30 CGEERN N#Cc1ccc(N2CCSCC2)c2ccccc12 ZINC000035994399 134516562 /nfs/dbraw/zinc/51/65/62/134516562.db2.gz PGYZUAYWMXKJIH-UHFFFAOYSA-N 0 0 254.358 3.265 10 30 CGEERN N#CC[C@@H]1CC[C@H](c2occc2Br)O1 ZINC000307523348 397681028 /nfs/dbraw/zinc/68/10/28/397681028.db2.gz DEBDHOVAWUNWTB-IONNQARKSA-N 0 0 256.099 3.176 10 30 CGEERN CCN(C(=O)[C@@H]1CC[C@@H](C)O1)c1ccc(C#N)c(Cl)c1 ZINC000091206837 287106721 /nfs/dbraw/zinc/10/67/21/287106721.db2.gz UXINUWHRBZJNEY-YGRLFVJLSA-N 0 0 292.766 3.132 10 30 CGEERN CC(=NN=c1[nH]c2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000005070692 170063983 /nfs/dbraw/zinc/06/39/83/170063983.db2.gz GFFITMCXNVXICV-VCHYOVAHSA-N 0 0 295.302 3.307 10 30 CGEERN Nc1cccc2c1C(=O)C(Nc1ccccc1)=C(Cl)C2=O ZINC000005338408 170087286 /nfs/dbraw/zinc/08/72/86/170087286.db2.gz XMJNHSALDDBMTI-UHFFFAOYSA-N 0 0 298.729 3.210 10 30 CGEERN Cc1ccccc1/C=C/C(=O)c1ccc([N+](=O)[O-])o1 ZINC000005420270 170097108 /nfs/dbraw/zinc/09/71/08/170097108.db2.gz VDSCLTOCMXBRKP-VOTSOKGWSA-N 0 0 257.245 3.392 10 30 CGEERN CCOC(=O)c1ccccc1/N=C/c1cc(OC)ccc1O ZINC000005474450 170102702 /nfs/dbraw/zinc/10/27/02/170102702.db2.gz BAYBKCANFXVIEL-WOJGMQOQSA-N 0 0 299.326 3.328 10 30 CGEERN CC[C@@H](C#N)C(O)(c1ccccc1)c1ccccc1 ZINC000005921921 170155866 /nfs/dbraw/zinc/15/58/66/170155866.db2.gz ZDTPCZLGZKXXGW-AWEZNQCLSA-N 0 0 251.329 3.472 10 30 CGEERN N#Cc1cccc(Sc2cccc(N)c2C#N)c1 ZINC000005933129 170157108 /nfs/dbraw/zinc/15/71/08/170157108.db2.gz LZFWQHZSIBNMAA-UHFFFAOYSA-N 0 0 251.314 3.163 10 30 in-vivo CGEERN CC(C)c1nc(C#N)c(N=NCc2cccc(F)c2)o1 ZINC000006633905 170220336 /nfs/dbraw/zinc/22/03/36/170220336.db2.gz CSEQXMCJYXYUKF-CAOOACKPSA-N 0 0 272.283 3.255 10 30 CGEERN COc1ccc(CN=Nc2oc(C(C)C)nc2C#N)cc1 ZINC000006633884 170220484 /nfs/dbraw/zinc/22/04/84/170220484.db2.gz SKJKDXGPXKNLHG-RQZCQDPDSA-N 0 0 284.319 3.124 10 30 CGEERN COc1cc(C=NNc2ccc(F)cc2)cc(OC)c1 ZINC000006674932 170225243 /nfs/dbraw/zinc/22/52/43/170225243.db2.gz BJPYKVFBLZEIAI-LICLKQGHSA-N 0 0 274.295 3.289 10 30 CGEERN C=CCOc1ccc(NC(=S)NC(=O)CCCC)cc1 ZINC000007444977 170285513 /nfs/dbraw/zinc/28/55/13/170285513.db2.gz AMEPPAVUEHZQEN-UHFFFAOYSA-N 0 0 292.404 3.255 10 30 CGEERN CC(=O)Nc1ccc(C=NNc2ccccc2C)cc1 ZINC000007892094 170306342 /nfs/dbraw/zinc/30/63/42/170306342.db2.gz BPFDNJVDWCELAG-GZTJUZNOSA-N 0 0 267.332 3.399 10 30 CGEERN C=CCNC(=S)NC(=O)/C=C/c1cccc2ccccc12 ZINC000008554546 170340120 /nfs/dbraw/zinc/34/01/20/170340120.db2.gz AXGARGJVNVQAFD-ZHACJKMWSA-N 0 0 296.395 3.030 10 30 CGEERN Cc1ncsc1CCOCc1ccccc1C#N ZINC000019518928 170824893 /nfs/dbraw/zinc/82/48/93/170824893.db2.gz FBIIWGPRNXHWRG-UHFFFAOYSA-N 0 0 258.346 3.083 10 30 CGEERN Cc1cccc(C)c1OCc1ccc(/C(N)=N/O)cc1F ZINC000019808450 170877364 /nfs/dbraw/zinc/87/73/64/170877364.db2.gz WXGLNFZASYUZNM-UHFFFAOYSA-N 0 0 288.322 3.116 10 30 CGEERN Cc1ccc(C)c(Oc2ccc(/C(N)=N/O)cc2)c1 ZINC000019866000 170899429 /nfs/dbraw/zinc/89/94/29/170899429.db2.gz TVXORFUVABXSBT-UHFFFAOYSA-N 0 0 256.305 3.190 10 30 CGEERN COc1cc(C#N)ccc1Oc1ccc(C=O)cc1F ZINC000020079516 170985779 /nfs/dbraw/zinc/98/57/79/170985779.db2.gz VZQKTHSAHWTICC-UHFFFAOYSA-N 0 0 271.247 3.311 10 30 CGEERN COc1ccccc1/C=N\NC(=S)Nc1ccc(C)cc1 ZINC000033319077 171783170 /nfs/dbraw/zinc/78/31/70/171783170.db2.gz LXZUFBOYVCDYGK-BOPFTXTBSA-N 0 0 299.399 3.324 10 30 CGEERN CC(C)(C)OC(=O)N(CCCC=O)C(=O)OC(C)(C)C ZINC000034551147 171843715 /nfs/dbraw/zinc/84/37/15/171843715.db2.gz XTTSZLHDKBNNRZ-UHFFFAOYSA-N 0 0 287.356 3.138 10 30 CGEERN COc1cc(Cl)c(C)cc1NC1=N[C@@H](C)CS1 ZINC000035294471 172105924 /nfs/dbraw/zinc/10/59/24/172105924.db2.gz NFTZALPQBIRASO-QMMMGPOBSA-N 0 0 270.785 3.369 10 30 CGEERN COc1cc(Cl)c(C)cc1NC1=NC[C@@H](C)S1 ZINC000035294473 172105971 /nfs/dbraw/zinc/10/59/71/172105971.db2.gz HWQFREHBFYZNQV-MRVPVSSYSA-N 0 0 270.785 3.369 10 30 CGEERN COc1ccc(NC2=NC(C)(C)CS2)cc1Cl ZINC000035294425 172106092 /nfs/dbraw/zinc/10/60/92/172106092.db2.gz RUTVRKQQWGTLLN-UHFFFAOYSA-N 0 0 270.785 3.451 10 30 CGEERN N#Cc1ccc(Cl)cc1NCc1ccc(O)cc1O ZINC000036954354 172826379 /nfs/dbraw/zinc/82/63/79/172826379.db2.gz QXTYIPCFTIDIGE-UHFFFAOYSA-N 0 0 274.707 3.235 10 30 CGEERN N#Cc1cc(N)cnc1Nc1cccc(Cl)c1F ZINC000037759022 173685232 /nfs/dbraw/zinc/68/52/32/173685232.db2.gz IEODUILDJAWALQ-UHFFFAOYSA-N 0 0 262.675 3.072 10 30 CGEERN Cc1ccc(N[C@H](C#N)c2ccc(O)c(O)c2)cc1 ZINC000037935482 173876157 /nfs/dbraw/zinc/87/61/57/173876157.db2.gz GHDCUVQIWAERKS-CYBMUJFWSA-N 0 0 254.289 3.083 10 30 CGEERN COc1ccc(N[C@@H](C#N)Cc2ccccc2)cc1 ZINC000037936501 173876698 /nfs/dbraw/zinc/87/66/98/173876698.db2.gz MYHQHPIBOZCEBM-OAHLLOKOSA-N 0 0 252.317 3.242 10 30 CGEERN CC(C)CN[C@H](C#N)c1ccccc1OC(F)F ZINC000037939245 173878955 /nfs/dbraw/zinc/87/89/55/173878955.db2.gz IUFAHBFNABJGDT-LLVKDONJSA-N 0 0 254.280 3.098 10 30 CGEERN CC[C@@H](C)N[C@H](C#N)c1cc2c(c(Cl)c1)OCO2 ZINC000038064464 174075256 /nfs/dbraw/zinc/07/52/56/174075256.db2.gz OIHZKPZIUGAGJI-LDYMZIIASA-N 0 0 266.728 3.021 10 30 CGEERN CCOC(=O)[C@H](/N=C/c1ccccc1)c1ccccc1 ZINC000038778326 174155573 /nfs/dbraw/zinc/15/55/73/174155573.db2.gz LOPYPCFPVBVOPQ-APVMCDBPSA-N 0 0 267.328 3.410 10 30 in-vitro CGEERN COc1ccc2oc(C)c([C@H](C)N(O)C(C)=O)c2c1 ZINC000039133539 174164600 /nfs/dbraw/zinc/16/46/00/174164600.db2.gz GOCCIECGJNXUOR-QMMMGPOBSA-N 0 0 263.293 3.049 10 30 CGEERN C[C@]1(O)CC(=O)C=C(c2ccc(F)c(Br)c2)C1 ZINC000040174956 174201012 /nfs/dbraw/zinc/20/10/12/174201012.db2.gz MTTRESMARWOLLI-CYBMUJFWSA-N 0 0 299.139 3.086 10 30 CGEERN N#CC1(NC(=O)Cc2ccsc2)CCCCCC1 ZINC000040221619 174206738 /nfs/dbraw/zinc/20/67/38/174206738.db2.gz INVFLOSLPJRRBQ-UHFFFAOYSA-N 0 0 262.378 3.023 10 30 CGEERN N#CC1(NC(=O)Cc2ccsc2)CCCCCCC1 ZINC000040222084 174207573 /nfs/dbraw/zinc/20/75/73/174207573.db2.gz DQLCPWBOOUEDII-UHFFFAOYSA-N 0 0 276.405 3.413 10 30 CGEERN Cc1occc1C(=O)NC1(C#N)CCCCCCC1 ZINC000040222123 174207628 /nfs/dbraw/zinc/20/76/28/174207628.db2.gz NMERMSKQDCQFHR-UHFFFAOYSA-N 0 0 260.337 3.325 10 30 CGEERN C=CCNc1ncnc(Nc2cccc(C)c2C)c1[N+](=O)[O-] ZINC000040598622 174349535 /nfs/dbraw/zinc/34/95/35/174349535.db2.gz LTBXAMVIIJHOMX-UHFFFAOYSA-N 0 0 299.334 3.343 10 30 CGEERN CC[C@@H]1CCCCN1C(=O)[C@H](C)Oc1cccc(C#N)c1 ZINC000043463393 175052159 /nfs/dbraw/zinc/05/21/59/175052159.db2.gz YZGDWKLWUQJCGD-DZGCQCFKSA-N 0 0 286.375 3.117 10 30 CGEERN CN(C(=O)[C@H](C#N)Cc1ccccc1)c1ccccc1 ZINC000044808869 175257432 /nfs/dbraw/zinc/25/74/32/175257432.db2.gz RRLFUBNNZPXPFP-HNNXBMFYSA-N 0 0 264.328 3.032 10 30 CGEERN CCCN(CCC)C(=O)[C@@H](C#N)Cc1ccccc1 ZINC000044809045 175257630 /nfs/dbraw/zinc/25/76/30/175257630.db2.gz GMZOQPAJCZXWQO-OAHLLOKOSA-N 0 0 258.365 3.017 10 30 CGEERN C[C@@H](c1ccc(Cl)cc1)N(C)c1cnc(C#N)cn1 ZINC000071179057 176055969 /nfs/dbraw/zinc/05/59/69/176055969.db2.gz SZQSHDPWTCNFBS-JTQLQIEISA-N 0 0 272.739 3.199 10 30 CGEERN C=CC[C@@H](C)C(=O)[C@@H](C)NC(=O)OCc1ccccc1 ZINC000685961670 544111418 /nfs/dbraw/zinc/11/14/18/544111418.db2.gz NGNFCJSVAYTCNY-CHWSQXEVSA-N 0 0 275.348 3.083 10 30 CGEERN C[C@H]1CN(c2ccc(C#N)cc2Br)CCS1 ZINC000134793889 287453742 /nfs/dbraw/zinc/45/37/42/287453742.db2.gz OATBHBAAZSGZJR-VIFPVBQESA-N 0 0 297.221 3.262 10 30 CGEERN O=C(Nc1ccc2c(c1)NC(=O)CC2)N1C[C@H]2CCC[C@H]21 ZINC000329936778 227990592 /nfs/dbraw/zinc/99/05/92/227990592.db2.gz RTCPFTMPNWNSFF-BXUZGUMPSA-N 0 0 285.347 3.251 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NCc1ncc(-c2cccs2)o1 ZINC000333146966 228189466 /nfs/dbraw/zinc/18/94/66/228189466.db2.gz BGKXMGJRTQUCPT-MNOVXSKESA-N 0 0 273.361 3.185 10 30 CGEERN CC(C)(C)c1ccc(C(=O)N[C@H]2CCC[C@@H]2C#N)s1 ZINC000408322000 260790761 /nfs/dbraw/zinc/79/07/61/260790761.db2.gz WJAKTPQZWPFPJZ-MNOVXSKESA-N 0 0 276.405 3.468 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NCc1ccc(Cl)cc1F ZINC000160818499 262301280 /nfs/dbraw/zinc/30/12/80/262301280.db2.gz JWDBPJCTUPRICJ-RNCFNFMXSA-N 0 0 252.720 3.261 10 30 CGEERN CC[C@@H]1CC[C@H](C)N1C(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000328716140 263849354 /nfs/dbraw/zinc/84/93/54/263849354.db2.gz TWFRUJZVTBBAJM-XQQFMLRXSA-N 0 0 293.411 3.205 10 30 CGEERN C=CCC[C@@H](NCc1nnc(C2CC2)n1C)c1ccccc1 ZINC000180035633 264390210 /nfs/dbraw/zinc/39/02/10/264390210.db2.gz AGLVKCIVWOGGFA-MRXNPFEDSA-N 0 0 296.418 3.490 10 30 CGEERN Cc1nc2ccccc2nc1CNc1ccc(C#N)cc1 ZINC000171257565 267643531 /nfs/dbraw/zinc/64/35/31/267643531.db2.gz GGVZIMUBFCFAQP-UHFFFAOYSA-N 0 0 274.327 3.422 10 30 CGEERN CCOc1cc2c(Cl)c(C#N)cnc2cc1F ZINC000095937908 276493961 /nfs/dbraw/zinc/49/39/61/276493961.db2.gz HOQINUIIFHZUMM-UHFFFAOYSA-N 0 0 250.660 3.298 10 30 CGEERN CNC(=S)[C@@]1(c2cccc(C)n2)CCCS1 ZINC000000000436 277756665 /nfs/dbraw/zinc/75/66/65/277756665.db2.gz JRVSNBBSEDNJQG-LBPRGKRZSA-N 0 0 252.408 3.070 10 30 in-man CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1cc(F)c(F)cc1Cl ZINC000335295879 294821377 /nfs/dbraw/zinc/82/13/77/294821377.db2.gz ADGZOVPZNMCUIL-JVXZTZIISA-N 0 0 284.693 3.040 10 30 CGEERN CC(C)[C@@H](C)NC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000131486921 327454593 /nfs/dbraw/zinc/45/45/93/327454593.db2.gz RETWYNUUUWWYCP-UKRRQHHQSA-N 0 0 273.380 3.375 10 30 CGEERN C=C(C)C[C@@H](C)C(=O)N1CCO[C@@H](c2ccc(C)o2)C1 ZINC000185943720 329333187 /nfs/dbraw/zinc/33/31/87/329333187.db2.gz FDESXPWNZAMRFI-IUODEOHRSA-N 0 0 277.364 3.090 10 30 CGEERN C[C@H](N[C@H]1CCC[C@@H]1C#N)c1c(F)cccc1F ZINC000061891180 329681476 /nfs/dbraw/zinc/68/14/76/329681476.db2.gz MQPBVANVKGCZMM-CWSCBRNRSA-N 0 0 250.292 3.308 10 30 CGEERN C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1C[C@@H]1C ZINC000247184873 329877485 /nfs/dbraw/zinc/87/74/85/329877485.db2.gz PRSCNAZSPRHBES-NTZNESFSSA-N 0 0 289.404 3.468 10 30 CGEERN CCCCCCCCC(=O)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000252018476 329937486 /nfs/dbraw/zinc/93/74/86/329937486.db2.gz YLFGAWKOFIVOFS-ZNMIVQPWSA-N 0 0 267.413 3.421 10 30 CGEERN C=CC[C@H](C)NC(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000127884110 333637347 /nfs/dbraw/zinc/63/73/47/333637347.db2.gz GVKAXONEKFGZQD-XHDPSFHLSA-N 0 0 276.355 3.467 10 30 CGEERN CCCCCCOc1cc(Cl)ccc1/C(N)=N/O ZINC000062789666 520102329 /nfs/dbraw/zinc/10/23/29/520102329.db2.gz KEIRCYZXZWPFRB-UHFFFAOYSA-N 0 0 270.760 3.394 10 30 CGEERN COc1cc(Nc2cc(C)nc(C)c2C#N)cc(OC)c1 ZINC000156548424 522766279 /nfs/dbraw/zinc/76/62/79/522766279.db2.gz BUWOMWHGDBDNQQ-UHFFFAOYSA-N 0 0 283.331 3.331 10 30 CGEERN CN(CCc1ccncc1)c1cccc(Cl)c1C#N ZINC000052908792 522982063 /nfs/dbraw/zinc/98/20/63/522982063.db2.gz UKILJSNOZKNAIM-UHFFFAOYSA-N 0 0 271.751 3.286 10 30 CGEERN C[C@@H]1CCCC[C@@H]1Oc1cc(Cl)ccc1/C(N)=N/O ZINC000062789620 524151347 /nfs/dbraw/zinc/15/13/47/524151347.db2.gz LZZBTIJYKBVUOY-SKDRFNHKSA-N 0 0 282.771 3.392 10 30 CGEERN C[C@@H]1CCCC[C@H]1Oc1ccc(/C(N)=N/O)c(Cl)c1 ZINC000061856254 524180395 /nfs/dbraw/zinc/18/03/95/524180395.db2.gz UBVQVIWAXGDPAG-NOZJJQNGSA-N 0 0 282.771 3.392 10 30 CGEERN C[C@@H](NC(=O)[C@H](C#N)c1ccccc1)c1cccs1 ZINC000061614491 525279479 /nfs/dbraw/zinc/27/94/79/525279479.db2.gz HGMVZWRFKBAPLW-DGCLKSJQSA-N 0 0 270.357 3.233 10 30 CGEERN N#C[C@H](Nc1cccc(Cl)c1)C1CCOCC1 ZINC000052178737 526509984 /nfs/dbraw/zinc/50/99/84/526509984.db2.gz FAYDKRGAZUPVKO-ZDUSSCGKSA-N 0 0 250.729 3.071 10 30 CGEERN N#C[C@H]1CCCC[C@H]1NCc1ccc(F)cc1F ZINC000054829053 526511874 /nfs/dbraw/zinc/51/18/74/526511874.db2.gz WPLGIWBOMKTRNY-QMTHXVAHSA-N 0 0 250.292 3.137 10 30 CGEERN N#Cc1ccc(Cl)cc1Oc1ccccc1C(N)=O ZINC000062790147 526636520 /nfs/dbraw/zinc/63/65/20/526636520.db2.gz FHNPJTCODCHQKE-UHFFFAOYSA-N 0 0 272.691 3.103 10 30 CGEERN N/C(=N/O)c1ccc(Cl)cc1OCc1ccccc1 ZINC000062789613 526802816 /nfs/dbraw/zinc/80/28/16/526802816.db2.gz HZDUQTZTEUDQDK-UHFFFAOYSA-N 0 0 276.723 3.014 10 30 CGEERN SCc1cc(Br)c(Br)o1 ZINC000757164277 617828733 /nfs/dbraw/zinc/82/87/33/617828733.db2.gz ZCTHLGKJBKQRFQ-UHFFFAOYSA-N 0 0 271.961 3.234 10 30 CGEERN SCCOCCSCc1ccc(Cl)o1 ZINC000757169726 617831221 /nfs/dbraw/zinc/83/12/21/617831221.db2.gz MBKIUKDNIRTUPO-UHFFFAOYSA-N 0 0 252.788 3.113 10 30 CGEERN C#CCCCC(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000192165802 619723459 /nfs/dbraw/zinc/72/34/59/619723459.db2.gz MMXZULSGXUXBQG-OAHLLOKOSA-N 0 0 259.324 3.123 10 30 CGEERN C=CCCC(=O)O[C@H](C)c1ccc2c(c1)OCCO2 ZINC000073091807 625435667 /nfs/dbraw/zinc/43/56/67/625435667.db2.gz WJSOKGXCPKGEIV-LLVKDONJSA-N 0 0 262.305 3.028 10 30 CGEERN C#CCCOC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000170716690 623091039 /nfs/dbraw/zinc/09/10/39/623091039.db2.gz LBCMCWPTFKRKEB-SECBINFHSA-N 0 0 287.142 3.327 10 30 CGEERN C#C[C@H](C)OC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000174444066 623393134 /nfs/dbraw/zinc/39/31/34/623393134.db2.gz KCVYDKBQZWKCGB-DTWKUNHWSA-N 0 0 287.142 3.326 10 30 CGEERN C=CCC(CC=C)C(=O)O[C@@H](C)C1CCOCC1 ZINC000151837653 623574776 /nfs/dbraw/zinc/57/47/76/623574776.db2.gz PARINCDPMNLTAE-LBPRGKRZSA-N 0 0 252.354 3.113 10 30 CGEERN CCOc1ccccc1[C@@H](CC=O)NC(=O)OC(C)(C)C ZINC000238257375 624756788 /nfs/dbraw/zinc/75/67/88/624756788.db2.gz DKLCKFHUAGTASC-CYBMUJFWSA-N 0 0 293.363 3.240 10 30 CGEERN C#CC[C@@H](OC(=O)[C@@H]1CC=CCC1)c1ccccn1 ZINC000105549200 635920468 /nfs/dbraw/zinc/92/04/68/635920468.db2.gz RBLXMEFWQADJDF-UKRRQHHQSA-N 0 0 255.317 3.046 10 30 CGEERN COc1ccc(O)cc1C(=O)/C=C\c1cccc(C#N)c1 ZINC000588409661 799689758 /nfs/dbraw/zinc/68/97/58/799689758.db2.gz HXSYSZFYNCUKHN-ALCCZGGFSA-N 0 0 279.295 3.169 10 30 CGEERN COc1ccc(O)c(/C=N\Cc2cc(F)ccc2OC)c1 ZINC000588523233 799705356 /nfs/dbraw/zinc/70/53/56/799705356.db2.gz WNRPMTKJJLVTHP-NVMNQCDNSA-N 0 0 289.306 3.168 10 30 CGEERN CC1(C)CC[C@@H](CN=Cc2cc3ccccc3[nH]c2=O)O1 ZINC000588523229 799705819 /nfs/dbraw/zinc/70/58/19/799705819.db2.gz VQRHVHKKCVRURK-KPYNCUPYSA-N 0 0 284.359 3.317 10 30 CGEERN O=C(/C=C\c1cocn1)c1ccc(Br)cc1F ZINC000588579912 799717359 /nfs/dbraw/zinc/71/73/59/799717359.db2.gz PZFMBTLPZJRJSA-RQOWECAXSA-N 0 0 296.095 3.472 10 30 CGEERN CCCCCCCNC(=O)CN(C)c1ccccc1 ZINC000100069505 937225933 /nfs/dbraw/zinc/22/59/33/937225933.db2.gz WCYRPPWGNNNYKS-UHFFFAOYSA-N 0 0 262.397 3.209 10 30 CGEERN C=CC[C@H](c1ccccc1)C(C(=O)OCC)C(=O)OCC ZINC000096675565 185109399 /nfs/dbraw/zinc/10/93/99/185109399.db2.gz WATBVLMOQZAUNW-CQSZACIVSA-N 0 0 290.359 3.089 10 30 CGEERN C[C@@H](CC#N)Nc1ccccc1I ZINC000037871349 344953117 /nfs/dbraw/zinc/95/31/17/344953117.db2.gz WJKWPSDVGHSABV-QMMMGPOBSA-N 0 0 286.116 3.005 10 30 CGEERN CC(C)[C@H](C#N)C(=O)c1ccc(Br)o1 ZINC000041045650 344966843 /nfs/dbraw/zinc/96/68/43/344966843.db2.gz ZLBWHDJNRFYAPF-ZETCQYMHSA-N 0 0 256.099 3.021 10 30 CGEERN CCCN(CC1CC1)c1ccc([N+](=O)[O-])c(C#N)c1 ZINC000034396186 344939322 /nfs/dbraw/zinc/93/93/22/344939322.db2.gz GADYKWMYKYPTIP-UHFFFAOYSA-N 0 0 259.309 3.093 10 30 CGEERN CS[C@H](C#N)c1cccc(C(=O)c2ccccc2)c1N ZINC000034615658 344941013 /nfs/dbraw/zinc/94/10/13/344941013.db2.gz YMZIPSONAMSVPS-CQSZACIVSA-N 0 0 282.368 3.427 10 30 CGEERN C=C(C)[C@@H]1COC([C@H](C)[C@@H](C)C2=N[C@@H](C(=C)C)CO2)=N1 ZINC000048547116 345067380 /nfs/dbraw/zinc/06/73/80/345067380.db2.gz LNFGJDBAWVODMB-SYQHCUMBSA-N 0 0 276.380 3.005 10 30 CGEERN O=C1C[C@H](/C(=N\O)c2ccccc2)CN1C1CCCCC1 ZINC000048524374 345067406 /nfs/dbraw/zinc/06/74/06/345067406.db2.gz TUTQFYMRHJCRQH-DNZUHHBVSA-N 0 0 286.375 3.046 10 30 CGEERN CCCOc1ccc(CN[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000061891666 345236283 /nfs/dbraw/zinc/23/62/83/345236283.db2.gz BFROKQXZPFKCTM-GDBMZVCRSA-N 0 0 258.365 3.257 10 30 CGEERN N#Cc1c(OCc2ccccc2)cccc1[N+](=O)[O-] ZINC000060077060 345210674 /nfs/dbraw/zinc/21/06/74/345210674.db2.gz WAKYNMMDKOTQDY-UHFFFAOYSA-N 0 0 254.245 3.045 10 30 CGEERN C=CCn1c(COc2ccccc2CC)n[nH]c1=S ZINC000064871910 345265737 /nfs/dbraw/zinc/26/57/37/345265737.db2.gz YRHMFSWYSYHNPJ-UHFFFAOYSA-N 0 0 275.377 3.268 10 30 CGEERN N#Cc1ccc(NCc2nc(-c3cccs3)n[nH]2)c(F)c1 ZINC000080981152 345693988 /nfs/dbraw/zinc/69/39/88/345693988.db2.gz GKNZKZCETZOASS-UHFFFAOYSA-N 0 0 299.334 3.156 10 30 CGEERN C[C@H](CNc1ccc([N+](=O)[O-])cc1C#N)Nc1ccccc1 ZINC000084927952 345743799 /nfs/dbraw/zinc/74/37/99/345743799.db2.gz RIHWEWJPCIUYEJ-GFCCVEGCSA-N 0 0 296.330 3.379 10 30 CGEERN C=CCN(CC=C)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000127301142 346030381 /nfs/dbraw/zinc/03/03/81/346030381.db2.gz QHUSJUGFYQMEHQ-UHFFFAOYSA-N 0 0 274.408 3.195 10 30 CGEERN N#C[C@@]1(Br)CCC[C@H](C(F)(F)F)C1 ZINC000127624086 346033234 /nfs/dbraw/zinc/03/32/34/346033234.db2.gz LDXMIOCDYBJSKC-NKWVEPMBSA-N 0 0 256.065 3.396 10 30 CGEERN C=CCOC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000137143958 346092403 /nfs/dbraw/zinc/09/24/03/346092403.db2.gz FNRUDBRBWAJMQF-CQSZACIVSA-N 0 0 277.364 3.455 10 30 CGEERN C#CCC(CCCCCCC)(C(=O)OCC)C(=O)OCC ZINC000141869335 346109649 /nfs/dbraw/zinc/10/96/49/346109649.db2.gz HZQCJOPKLRFHQX-UHFFFAOYSA-N 0 0 296.407 3.483 10 30 CGEERN CC1(C)CC(=O)N(c2ccc(C#Cc3ccccc3)cn2)C1 ZINC000144818892 346118917 /nfs/dbraw/zinc/11/89/17/346118917.db2.gz BJXNBMQKERYEQJ-UHFFFAOYSA-N 0 0 290.366 3.244 10 30 CGEERN N#Cc1ccc(F)c(C(=O)c2ccnc3ccccc32)c1 ZINC000145069129 346119870 /nfs/dbraw/zinc/11/98/70/346119870.db2.gz LMEGTVDIZJQBFQ-UHFFFAOYSA-N 0 0 276.270 3.477 10 30 CGEERN CC(C)[C@](C)(C#N)c1ccc(-c2cnc(N)nc2)cc1 ZINC000146470852 346123658 /nfs/dbraw/zinc/12/36/58/346123658.db2.gz DGZHYJXGAIVMHB-INIZCTEOSA-N 0 0 266.348 3.163 10 30 CGEERN CSc1nc(N)cc(Oc2c(C)cc(C#N)cc2C)n1 ZINC000148795390 346128804 /nfs/dbraw/zinc/12/88/04/346128804.db2.gz FCQZGLSJPHEWBV-UHFFFAOYSA-N 0 0 286.360 3.062 10 30 CGEERN CC[C@@H](C#N)Oc1cc(F)ccc1Br ZINC000160243747 346169911 /nfs/dbraw/zinc/16/99/11/346169911.db2.gz YRWNUTNBVCMOIA-QMMMGPOBSA-N 0 0 258.090 3.269 10 30 CGEERN CC#CCC[C@@H](O)c1ccc(Br)s1 ZINC000160989447 346173842 /nfs/dbraw/zinc/17/38/42/346173842.db2.gz UGABQSWBNUOOCS-MRVPVSSYSA-N 0 0 259.168 3.348 10 30 CGEERN C=CC[C@H](O)c1ccncc1-c1ccc(C#N)c(OC)c1 ZINC000166784764 346187518 /nfs/dbraw/zinc/18/75/18/346187518.db2.gz LNMQUNCGYOJPKI-INIZCTEOSA-N 0 0 280.327 3.238 10 30 CGEERN N#Cc1ccc(OCC2CC2)c(Br)c1 ZINC000169189695 346191857 /nfs/dbraw/zinc/19/18/57/346191857.db2.gz BNVNSCRUGZSUKE-UHFFFAOYSA-N 0 0 252.111 3.110 10 30 CGEERN C[Si](C)(C)C#CCOC(=N)C(Cl)(Cl)Cl ZINC000207021991 346284175 /nfs/dbraw/zinc/28/41/75/346284175.db2.gz SVXLXQYIPSUGCN-UHFFFAOYSA-N 0 0 272.635 3.231 10 30 CGEERN CCCCCCCOc1c(O)cc(C(=O)OC)cc1O ZINC000196397283 346275686 /nfs/dbraw/zinc/27/56/86/346275686.db2.gz IAINIACQFDIDDH-UHFFFAOYSA-N 0 0 282.336 3.234 10 30 CGEERN C[C@H]1C[C@H]1Nc1ccc(C#N)c(Br)c1 ZINC000228185569 346313900 /nfs/dbraw/zinc/31/39/00/346313900.db2.gz FAFCYKRZEYBWTJ-WRWORJQWSA-N 0 0 251.127 3.141 10 30 CGEERN C[C@@H](S)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000235297562 346335090 /nfs/dbraw/zinc/33/50/90/346335090.db2.gz KOOQOCVFBPCNKK-RXMQYKEDSA-N 0 0 294.601 3.359 10 30 CGEERN CCCOc1ccc(C#N)c(Br)c1F ZINC000231849728 346324018 /nfs/dbraw/zinc/32/40/18/346324018.db2.gz QIGLYBWVSSFOTJ-UHFFFAOYSA-N 0 0 258.090 3.249 10 30 CGEERN CC#CCC(=O)c1ccc(F)c(F)c1Br ZINC000231867465 346324156 /nfs/dbraw/zinc/32/41/56/346324156.db2.gz FGKOVDOSXSHLMF-UHFFFAOYSA-N 0 0 273.076 3.323 10 30 CGEERN C#CCCC(=O)Nc1cc(C)ccc1Br ZINC000235766288 346337104 /nfs/dbraw/zinc/33/71/04/346337104.db2.gz UKNXYKIITLMVJX-UHFFFAOYSA-N 0 0 266.138 3.109 10 30 CGEERN CC#C[C@H](O)c1ccc(Cl)c(Br)c1 ZINC000306459560 346454093 /nfs/dbraw/zinc/45/40/93/346454093.db2.gz DNNMTAJTSQSXJK-JTQLQIEISA-N 0 0 259.530 3.159 10 30 CGEERN O=C[C@@H]1CCC[C@@H](c2ccc(Br)cc2)O1 ZINC000306730084 346457511 /nfs/dbraw/zinc/45/75/11/346457511.db2.gz PEHPRCQWWIFWQW-RYUDHWBXSA-N 0 0 269.138 3.258 10 30 CGEERN SCc1cc(Cl)ccc1I ZINC000404831663 346601512 /nfs/dbraw/zinc/60/15/12/346601512.db2.gz FRDLSBZRQGSTEY-UHFFFAOYSA-N 0 0 284.549 3.374 10 30 CGEERN N#CCc1cc(C(F)(F)F)cc(O)c1C(F)(F)F ZINC000514262536 346636469 /nfs/dbraw/zinc/63/64/69/346636469.db2.gz FSRNACGWLDXVKN-UHFFFAOYSA-N 0 0 269.144 3.496 10 30 CGEERN N#C[C@H](c1ccccc1F)[C@H](CCO)c1cncs1 ZINC000584639208 346702204 /nfs/dbraw/zinc/70/22/04/346702204.db2.gz BLPSCYFVZPLWEQ-NWDGAFQWSA-N 0 0 276.336 3.056 10 30 CGEERN N#CCC[C@@H]1CCN1c1ccc(N2CC[C@@H]2CCC#N)cc1 ZINC000584643050 346703443 /nfs/dbraw/zinc/70/34/43/346703443.db2.gz KYNNRGHUAKMCQS-IYBDPMFKSA-N 0 0 294.402 3.452 10 30 CGEERN COC(=O)Nc1ccc(C#N)cc1-c1cccc(OC)c1 ZINC000584653450 346705023 /nfs/dbraw/zinc/70/50/23/346705023.db2.gz MEMRGVNNQUWHNM-UHFFFAOYSA-N 0 0 282.299 3.412 10 30 CGEERN C#CCOC[C@@H]1O[C@@H]1c1ccc(Cl)cc1Cl ZINC000584657000 346705843 /nfs/dbraw/zinc/70/58/43/346705843.db2.gz RNAXIOGZMCVRPI-NWDGAFQWSA-N 0 0 257.116 3.083 10 30 CGEERN C=C(C)COc1cc([N+](=O)[O-])ccc1OCC1CC1 ZINC000584593141 346686337 /nfs/dbraw/zinc/68/63/37/346686337.db2.gz IWCIBVFFYAPTHH-UHFFFAOYSA-N 0 0 263.293 3.339 10 30 CGEERN COc1c(C)c(C)c(OC)c([C@H](C)CC=O)c1C ZINC000584596031 346687578 /nfs/dbraw/zinc/68/75/78/346687578.db2.gz UXGATXBKVXTMDP-SECBINFHSA-N 0 0 250.338 3.322 10 30 CGEERN N#CC[C@H](O)COc1ccccc1-c1ccccc1 ZINC000584600268 346688987 /nfs/dbraw/zinc/68/89/87/346688987.db2.gz VDPPCIOGUJMFMN-AWEZNQCLSA-N 0 0 253.301 3.007 10 30 CGEERN N#C[C@@H](c1nccs1)[C@@H](CCO)c1c(F)cccc1F ZINC000584630235 346698512 /nfs/dbraw/zinc/69/85/12/346698512.db2.gz QVPCOYKXBNMBRP-NXEZZACHSA-N 0 0 294.326 3.195 10 30 CGEERN CC[N@@H+]1CC[C@H]([C@](C#N)(c2ccccc2)c2cccnc2)C1 ZINC000584633491 346699690 /nfs/dbraw/zinc/69/96/90/346699690.db2.gz NDMOYDOOJSHJCQ-RBUKOAKNSA-N 0 0 291.398 3.233 10 30 CGEERN N#Cc1ccc(N[C@@H]2CCC[C@H](O)C2)c(Br)c1 ZINC000611181669 348426627 /nfs/dbraw/zinc/42/66/27/348426627.db2.gz VADNIEJKIGMMLL-MNOVXSKESA-N 0 0 295.180 3.036 10 30 CGEERN CCOC(=O)c1ccc(-n2cc(C#N)c3cccnc32)cc1 ZINC000088323691 179578386 /nfs/dbraw/zinc/57/83/86/179578386.db2.gz ZSCAZZHZCDZMLZ-UHFFFAOYSA-N 0 0 291.310 3.074 10 30 CGEERN N#CCc1ccc(OC(F)F)c(OC(F)(F)F)c1 ZINC000616575652 348834347 /nfs/dbraw/zinc/83/43/47/348834347.db2.gz GEIRZBPQOKJHGS-UHFFFAOYSA-N 0 0 267.153 3.253 10 30 CGEERN Cc1c(Cl)ncnc1N(C)c1ccc(C#N)cc1 ZINC000104221465 185935294 /nfs/dbraw/zinc/93/52/94/185935294.db2.gz AWUWTECTAKUSMD-UHFFFAOYSA-N 0 0 258.712 3.078 10 30 CGEERN O[C@@H](CC#Cc1ccc(Br)cc1)C(F)(F)F ZINC000616581519 348835583 /nfs/dbraw/zinc/83/55/83/348835583.db2.gz XIQPCQJZELQXHV-JTQLQIEISA-N 0 0 293.082 3.114 10 30 CGEERN COC(=O)N1CCCCC[C@@H]1c1ccc(C#N)cc1 ZINC000616620989 348848340 /nfs/dbraw/zinc/84/83/40/348848340.db2.gz ASVYFXQYFWDFPD-CQSZACIVSA-N 0 0 258.321 3.242 10 30 CGEERN N#Cc1cc(SC(F)(F)F)c(OC(F)(F)F)cn1 ZINC000091252870 180114683 /nfs/dbraw/zinc/11/46/83/180114683.db2.gz QMVUTHHWDQANDE-UHFFFAOYSA-N 0 0 288.172 3.464 10 30 CGEERN Cc1cc(C#N)ccc1C(=O)N1CCC[C@H]1c1ccco1 ZINC000123543399 138368261 /nfs/dbraw/zinc/36/82/61/138368261.db2.gz XTXUMRGQLKVLBN-HNNXBMFYSA-N 0 0 280.327 3.437 10 30 CGEERN N#Cc1nc(N[C@@H]2CCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000302781224 283251777 /nfs/dbraw/zinc/25/17/77/283251777.db2.gz RXAYBMSOGMTMMJ-CYBMUJFWSA-N 0 0 294.314 3.351 10 30 CGEERN Cc1ccc([C@@H]2CCCCN2C(=O)c2c[nH]c(C#N)c2)o1 ZINC000181310991 189293831 /nfs/dbraw/zinc/29/38/31/189293831.db2.gz GUMSVNYYSSYZLY-AWEZNQCLSA-N 0 0 283.331 3.155 10 30 CGEERN CO[C@H]1CCC[C@H](Nc2nc(C(F)(F)F)ccc2C#N)C1 ZINC000301753868 201177955 /nfs/dbraw/zinc/17/79/55/201177955.db2.gz CCMXWULJMIREOO-QWRGUYRKSA-N 0 0 299.296 3.342 10 30 CGEERN COc1cc(C(=O)/C=C/c2ccncc2)cc(OC)c1OC ZINC000013602093 368658816 /nfs/dbraw/zinc/65/88/16/368658816.db2.gz LEDNVWLNOAHZMZ-SNAWJCMRSA-N 0 0 299.326 3.004 10 30 CGEERN C[C@H]1CN(c2cc(Cl)ccc2C#N)CCS1 ZINC000122811184 370907489 /nfs/dbraw/zinc/90/74/89/370907489.db2.gz ZSDWKTNGCDRJFB-VIFPVBQESA-N 0 0 252.770 3.153 10 30 CGEERN COc1ccc(OC)c(/N=C/c2ccc3c(c2)OCO3)c1 ZINC000019910581 368781484 /nfs/dbraw/zinc/78/14/84/368781484.db2.gz IABYMEQWRLEHSE-RQZCQDPDSA-N 0 0 285.299 3.183 10 30 CGEERN C[C@@H](C(=O)N(C)O)c1ccc(OCc2ccccc2)cc1 ZINC000026264929 368856713 /nfs/dbraw/zinc/85/67/13/368856713.db2.gz VFSCYWVNAXCZLJ-CYBMUJFWSA-N 0 0 285.343 3.217 10 30 CGEERN CC(C)Cc1ccc([C@H](C(=O)N(C)O)C(C)C)cc1 ZINC000026264679 368856777 /nfs/dbraw/zinc/85/67/77/368856777.db2.gz IKCDYKLPBFXVDU-OAHLLOKOSA-N 0 0 263.381 3.472 10 30 CGEERN C=CCOc1ccc(C(=O)Oc2ccc(O)cc2)cc1 ZINC000034538149 368975612 /nfs/dbraw/zinc/97/56/12/368975612.db2.gz HZLFJRUGSYMIHN-UHFFFAOYSA-N 0 0 270.284 3.176 10 30 CGEERN N#Cc1ccc(F)c(COCCc2ccccc2)c1 ZINC000034958262 368982550 /nfs/dbraw/zinc/98/25/50/368982550.db2.gz LYLMFOJSXMQUHN-UHFFFAOYSA-N 0 0 255.292 3.457 10 30 CGEERN CC(C)NC(=S)N/N=C/C(Cl)=C\c1ccccc1 ZINC000056700518 369527313 /nfs/dbraw/zinc/52/73/13/369527313.db2.gz RUPHSURUJVXVHV-NVXXTVOZSA-N 0 0 281.812 3.125 10 30 CGEERN CC(C)Oc1cccc(CN[C@@H]2CCC[C@@H]2C#N)c1 ZINC000061892725 369611984 /nfs/dbraw/zinc/61/19/84/369611984.db2.gz SFVTYFRJUCKFHH-GDBMZVCRSA-N 0 0 258.365 3.256 10 30 CGEERN C=CCNC(=O)[C@H](c1ccc(Cl)cc1)C(C)C ZINC000070237012 369790559 /nfs/dbraw/zinc/79/05/59/369790559.db2.gz FDGXNYPDJOBMSJ-ZDUSSCGKSA-N 0 0 251.757 3.382 10 30 CGEERN Cc1ccc([C@@H]2CN(CC(C)(C)CCC#N)CCO2)o1 ZINC000093865187 370165449 /nfs/dbraw/zinc/16/54/49/370165449.db2.gz DBNBTGHVURINRS-HNNXBMFYSA-N 0 0 276.380 3.291 10 30 CGEERN Cc1onc2c1C(=O)C(Nc1ccc(Cl)cc1)=CC2=O ZINC000100162849 370272704 /nfs/dbraw/zinc/27/27/04/370272704.db2.gz ASPSMCLZZHKLGO-UHFFFAOYSA-N 0 0 288.690 3.011 10 30 CGEERN CCCCCCCC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116114032 370548856 /nfs/dbraw/zinc/54/88/56/370548856.db2.gz FWHRQLABIIFIKF-AWEZNQCLSA-N 0 0 277.412 3.097 10 30 CGEERN C[C@]1(CO)CCC[C@H]1Nc1cc(C#N)nc2ccccc21 ZINC000301329023 373746763 /nfs/dbraw/zinc/74/67/63/373746763.db2.gz ADBSWVGLNPGQRE-IAGOWNOFSA-N 0 0 281.359 3.069 10 30 CGEERN Cc1cc(N2CCS[C@@H](C(C)C)C2)c(C#N)c(C)n1 ZINC000301803784 373805262 /nfs/dbraw/zinc/80/52/62/373805262.db2.gz XDXJJFUHSWOEMM-OAHLLOKOSA-N 0 0 275.421 3.148 10 30 CGEERN Cc1ccc(N2CCC[C@H]2c2noc(C(C)C)n2)nc1C#N ZINC000302745123 373950837 /nfs/dbraw/zinc/95/08/37/373950837.db2.gz RTMKHUTXNWWLDX-ZDUSSCGKSA-N 0 0 297.362 3.110 10 30 CGEERN N#Cc1ccc(NC(=O)[C@H]2CCCCC2(F)F)cc1F ZINC000308122419 374160534 /nfs/dbraw/zinc/16/05/34/374160534.db2.gz RKYRAJHSLAJGFN-LLVKDONJSA-N 0 0 282.265 3.461 10 30 CGEERN C[C@H](C(=O)Nc1ccccc1)N1CCC[C@H](n2cccn2)C1 ZINC000328713464 374376999 /nfs/dbraw/zinc/37/69/99/374376999.db2.gz RZTNDXUTJJLHJU-ZBFHGGJFSA-N 0 0 298.390 3.197 10 30 CGEERN C[C@@H]1CC[C@H](C(=O)N[C@H]2CCC(=O)NC23CCC3)C1 ZINC000328743491 374378434 /nfs/dbraw/zinc/37/84/34/374378434.db2.gz NLHUKJJJVZNLMK-WOPDTQHZSA-N 0 0 264.369 3.421 10 30 CGEERN Cc1nn(-c2ccccc2)cc1NC(=O)N1C[C@@H]2CCC[C@@H]21 ZINC000329701179 374423459 /nfs/dbraw/zinc/42/34/59/374423459.db2.gz HFUHTUAPLJMGIS-BBRMVZONSA-N 0 0 296.374 3.211 10 30 CGEERN C=C[C@@](C)(CC)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000188176995 375171686 /nfs/dbraw/zinc/17/16/86/375171686.db2.gz NBHMOVHZFQAJOO-CJNGLKHVSA-N 0 0 259.349 3.229 10 30 CGEERN Cc1c2ccccc2oc1C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000335831583 291613833 /nfs/dbraw/zinc/61/38/33/291613833.db2.gz QKNNZYTXPAQRIH-YPMHNXCESA-N 0 0 268.316 3.163 10 30 CGEERN C=C[C@](C)(CC)C(=O)N[C@H](C)COCc1ccccc1 ZINC000188462181 375218792 /nfs/dbraw/zinc/21/87/92/375218792.db2.gz MGMSGDMSWICPHZ-RHSMWYFYSA-N 0 0 275.392 3.310 10 30 CGEERN C=CCN(Cc1cccs1)C(=O)[C@H]1CCCO[C@@H]1C ZINC000191678905 375651417 /nfs/dbraw/zinc/65/14/17/375651417.db2.gz VGAXLAUFBWVQBE-OCCSQVGLSA-N 0 0 279.405 3.078 10 30 CGEERN Cc1ccc([C@H](C)N[C@H](C)C(=O)Nc2cccc(C#N)c2)o1 ZINC000193640701 375901551 /nfs/dbraw/zinc/90/15/51/375901551.db2.gz OGMWGLFAUQYVTH-QWHCGFSZSA-N 0 0 297.358 3.138 10 30 CGEERN C[Si](C)(C)C#C[C@@H](O)c1ccc(Br)cc1 ZINC000198454440 376121374 /nfs/dbraw/zinc/12/13/74/376121374.db2.gz UCVNINZWJPHBGW-GFCCVEGCSA-N 0 0 283.241 3.363 10 30 CGEERN CCC1CCC(Nc2ccc([N+](=O)[O-])c(C#N)n2)CC1 ZINC000232925929 376592536 /nfs/dbraw/zinc/59/25/36/376592536.db2.gz KZFXFOHRYDZRFS-UHFFFAOYSA-N 0 0 274.324 3.242 10 30 CGEERN Cc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])c(C#N)n2)cc1 ZINC000235259823 376636463 /nfs/dbraw/zinc/63/64/63/376636463.db2.gz QVTKZEOIQGVZSC-LLVKDONJSA-N 0 0 282.303 3.343 10 30 CGEERN COc1cc(C=Nc2ccc(C#N)cc2)ccc1OC(C)=O ZINC000254769153 377712915 /nfs/dbraw/zinc/71/29/15/377712915.db2.gz KOXXTXYUTDEJOK-UHFFFAOYSA-N 0 0 294.310 3.243 10 30 CGEERN NC(=O)c1ccccc1N=Cc1c[nH]c2ccccc12 ZINC000254556441 377709191 /nfs/dbraw/zinc/70/91/91/377709191.db2.gz PXKAHQPFSSNVAG-UHFFFAOYSA-N 0 0 263.300 3.017 10 30 CGEERN COc1cc(C=Nc2ccc(C)cc2O)ccc1O ZINC000254625172 377711450 /nfs/dbraw/zinc/71/14/50/377711450.db2.gz VGBMZWFTOJHUAH-UHFFFAOYSA-N 0 0 257.289 3.165 10 30 CGEERN OCc1cc(C(F)(F)F)cc(F)c1C(F)(F)F ZINC000575339576 377880894 /nfs/dbraw/zinc/88/08/94/377880894.db2.gz FMIVKKAZVXKITB-UHFFFAOYSA-N 0 0 262.124 3.356 10 30 CGEERN CCOC(=O)c1c(Cl)ccc(C(F)(F)F)c1C#N ZINC000575383347 377893987 /nfs/dbraw/zinc/89/39/87/377893987.db2.gz QNFHXEGYXBPHFC-UHFFFAOYSA-N 0 0 277.629 3.407 10 30 CGEERN COC(=O)c1c(Cl)cc(C#N)cc1C(F)(F)F ZINC000575383106 377894110 /nfs/dbraw/zinc/89/41/10/377894110.db2.gz HKYVEBFAWNWECJ-UHFFFAOYSA-N 0 0 263.602 3.017 10 30 CGEERN CCOC(=O)c1cc(C#N)c(CC)c(OC(F)(F)F)c1 ZINC000575388796 377895962 /nfs/dbraw/zinc/89/59/62/377895962.db2.gz GHQMPBGYBDOJOM-UHFFFAOYSA-N 0 0 287.237 3.196 10 30 CGEERN CCOC(=O)c1ccc(C#N)c(C(F)F)c1CC ZINC000575389759 377897463 /nfs/dbraw/zinc/89/74/63/377897463.db2.gz QAHRSTUUSQEQCL-UHFFFAOYSA-N 0 0 253.248 3.235 10 30 CGEERN N#CCc1cc(OC(F)F)c(OC(F)(F)F)cc1C#N ZINC000575639349 377925086 /nfs/dbraw/zinc/92/50/86/377925086.db2.gz HOBYNGHBRJURBN-UHFFFAOYSA-N 0 0 292.163 3.124 10 30 CGEERN CCOc1cc(CC#N)c(OC(F)F)c(OCC)c1 ZINC000575651200 377928750 /nfs/dbraw/zinc/92/87/50/377928750.db2.gz WEMWDBMNAAQQBG-UHFFFAOYSA-N 0 0 271.263 3.151 10 30 CGEERN CCOc1cc(Br)cc(OCC)c1C#N ZINC000575680979 377956060 /nfs/dbraw/zinc/95/60/60/377956060.db2.gz NFCAWICATNQEHD-UHFFFAOYSA-N 0 0 270.126 3.118 10 30 CGEERN N#Cc1cc(F)cc(OC(F)F)c1C(F)(F)F ZINC000575660171 377936368 /nfs/dbraw/zinc/93/63/68/377936368.db2.gz ODRJIXMONVGLAI-UHFFFAOYSA-N 0 0 255.117 3.318 10 30 CGEERN Cc1cc(C#N)c(OC(F)F)cc1C(F)(F)F ZINC000575665706 377943123 /nfs/dbraw/zinc/94/31/23/377943123.db2.gz TYCSAIUOMRLPDS-UHFFFAOYSA-N 0 0 251.154 3.487 10 30 CGEERN COc1c(OC(F)F)cc(CC#N)cc1C(F)(F)F ZINC000575665866 377943221 /nfs/dbraw/zinc/94/32/21/377943221.db2.gz UZCMNTPERCQXHU-UHFFFAOYSA-N 0 0 281.180 3.381 10 30 CGEERN COC(=O)Cc1c(C)c(C#N)ccc1SC(F)(F)F ZINC000575395624 377903347 /nfs/dbraw/zinc/90/33/47/377903347.db2.gz KOHSZLLRMMFITR-UHFFFAOYSA-N 0 0 289.278 3.194 10 30 CGEERN COC(=O)Cc1ccc(C)c(C#N)c1SC(F)(F)F ZINC000575395398 377903386 /nfs/dbraw/zinc/90/33/86/377903386.db2.gz BGHYHLAVZRCFDC-UHFFFAOYSA-N 0 0 289.278 3.194 10 30 CGEERN COC(=O)Cc1cc(C)cc(C#N)c1SC(F)(F)F ZINC000575395972 377903681 /nfs/dbraw/zinc/90/36/81/377903681.db2.gz YYBXJLOQKNBCAF-UHFFFAOYSA-N 0 0 289.278 3.194 10 30 CGEERN C[C@@H](C#N)Nc1cccc(Br)c1Cl ZINC000575481766 377914947 /nfs/dbraw/zinc/91/49/47/377914947.db2.gz UAJWVCABDKWSST-LURJTMIESA-N 0 0 259.534 3.426 10 30 CGEERN Cc1cc(OC(F)F)c(CC#N)cc1Br ZINC000575683712 377958536 /nfs/dbraw/zinc/95/85/36/377958536.db2.gz SAUHUGJEBXTQIW-UHFFFAOYSA-N 0 0 276.080 3.425 10 30 CGEERN N#CCc1c(Br)ccc(O)c1OC(F)(F)F ZINC000575691327 377966549 /nfs/dbraw/zinc/96/65/49/377966549.db2.gz KMGNWOJEYKBMJB-UHFFFAOYSA-N 0 0 296.042 3.119 10 30 CGEERN Oc1ccc(OC(F)(F)F)c(C(F)(F)F)c1F ZINC000575705235 377977881 /nfs/dbraw/zinc/97/78/81/377977881.db2.gz VBBCBPXQTZCZFU-UHFFFAOYSA-N 0 0 264.096 3.449 10 30 CGEERN N#Cc1cc(Br)ccc1CN1C[C@@H]2CCC[C@H]21 ZINC000346965147 378699797 /nfs/dbraw/zinc/69/97/97/378699797.db2.gz ICLQHKDFNCMVCL-SMDDNHRTSA-N 0 0 291.192 3.305 10 30 CGEERN Cc1ccc(N2CCC[C@@H]2[C@@H]2CCCC[C@@]2(C)O)nc1C#N ZINC000408037089 379989210 /nfs/dbraw/zinc/98/92/10/379989210.db2.gz YFVLXZPQWXKPKU-YXJHDRRASA-N 0 0 299.418 3.172 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)c1ccc2c(c1)CCC=C2 ZINC000329191430 542446214 /nfs/dbraw/zinc/44/62/14/542446214.db2.gz RLZLFBZLHRMOEH-HZPDHXFCSA-N 0 0 266.344 3.068 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)c1ncsc1-c1ccccc1 ZINC000332691778 542451029 /nfs/dbraw/zinc/45/10/29/542451029.db2.gz UBNKIRLEPCATEX-CHWSQXEVSA-N 0 0 297.383 3.232 10 30 CGEERN Cc1ccc2c(c1)[C@@H](NC(=O)N[C@H]1CCC[C@H]1C#N)CCC2 ZINC000332838516 542451036 /nfs/dbraw/zinc/45/10/36/542451036.db2.gz GQDMAOJFOFTRAM-XIRDDKMYSA-N 0 0 297.402 3.364 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)CC1CC(c2ccccc2)C1 ZINC000332724256 542451039 /nfs/dbraw/zinc/45/10/39/542451039.db2.gz CBIXLIJTYQCXBI-INXRADFVSA-N 0 0 282.387 3.379 10 30 CGEERN N#C[C@@H]1CCO[C@H]1c1cc(Br)cs1 ZINC000070672434 392185524 /nfs/dbraw/zinc/18/55/24/392185524.db2.gz RQOKCCIIZAFMPK-IMTBSYHQSA-N 0 0 258.140 3.112 10 30 CGEERN N#C[C@H](c1ccc(Cl)cc1)c1n[nH]c(=O)c2ccccc21 ZINC000095932293 392244093 /nfs/dbraw/zinc/24/40/93/392244093.db2.gz YLLNBMOYOCKJFI-CQSZACIVSA-N 0 0 295.729 3.232 10 30 CGEERN N#Cc1ccc(N2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000105989615 392298173 /nfs/dbraw/zinc/29/81/73/392298173.db2.gz IBWHMLMKLOBVSL-NSHDSACASA-N 0 0 254.255 3.337 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NCc1cccc(C(F)F)c1 ZINC000156007761 392545218 /nfs/dbraw/zinc/54/52/18/392545218.db2.gz WWUMTNWNFNUGGF-OLZOCXBDSA-N 0 0 250.292 3.406 10 30 CGEERN Cc1csc([C@H]2CN(CCCC(C)(C)C#N)CCO2)n1 ZINC000174838903 392647048 /nfs/dbraw/zinc/64/70/48/392647048.db2.gz WDYPCWFKNRVOBZ-CYBMUJFWSA-N 0 0 293.436 3.155 10 30 CGEERN C[C@H](C#N)CNC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000182345127 392744843 /nfs/dbraw/zinc/74/48/43/392744843.db2.gz XNVYSHWGTDMAJO-OLZOCXBDSA-N 0 0 281.359 3.360 10 30 CGEERN CC(C)(C)[C@@H](O)CNc1ccc(C(F)(F)F)c(C#N)c1 ZINC000166603936 165493380 /nfs/dbraw/zinc/49/33/80/165493380.db2.gz CMKHJWJPCZLGEJ-LBPRGKRZSA-N 0 0 286.297 3.396 10 30 CGEERN COc1cccc(/N=C/c2ccc(O)c(OC)c2)c1 ZINC000005514634 170106734 /nfs/dbraw/zinc/10/67/34/170106734.db2.gz UQHZCAVSGVOOJV-MHWRWJLKSA-N 0 0 257.289 3.160 10 30 CGEERN C=CCOc1ccc(CN=Nc2ccccn2)cc1OC ZINC000005687986 170129636 /nfs/dbraw/zinc/12/96/36/170129636.db2.gz VGONNCRJCGVGLL-LDADJPATSA-N 0 0 283.331 3.101 10 30 CGEERN CN(/N=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000006375510 170196057 /nfs/dbraw/zinc/19/60/57/170196057.db2.gz UYKWINPUYBGLDJ-RVDMUPIBSA-N 0 0 255.277 3.065 10 30 CGEERN CCOc1cc(/C=N/N(C)c2ccccc2)ccc1O ZINC000007351146 170279017 /nfs/dbraw/zinc/27/90/17/170279017.db2.gz ZQRIOMWRYOKCMX-SFQUDFHCSA-N 0 0 270.332 3.261 10 30 CGEERN Cc1nn(C)c(C)c1C=NN=c1[nH]c2ccccc2s1 ZINC000007894653 170306483 /nfs/dbraw/zinc/30/64/83/170306483.db2.gz IQUYJFQGFQMPEL-OVCLIPMQSA-N 0 0 285.376 3.093 10 30 CGEERN Cc1cc(O)ccc1C[C@H](C#N)c1ccc(O)cc1 ZINC000013470329 170553006 /nfs/dbraw/zinc/55/30/06/170553006.db2.gz NJFCQEZGMMGGKH-CQSZACIVSA-N 0 0 253.301 3.256 10 30 CGEERN Cc1csc(Sc2nc(C)cc(C)c2C#N)n1 ZINC000014212756 170625581 /nfs/dbraw/zinc/62/55/81/170625581.db2.gz CPTXPLRRDBHJAK-UHFFFAOYSA-N 0 0 261.375 3.486 10 30 CGEERN Cc1ccc(C(C)C)c(Oc2cc(/C(N)=N/O)ccn2)c1 ZINC000019425745 170794514 /nfs/dbraw/zinc/79/45/14/170794514.db2.gz HNWLQYXGNQWQCU-UHFFFAOYSA-N 0 0 285.347 3.400 10 30 CGEERN CC[C@@H]1CCCC[C@H]1OCc1ccc(/C(N)=N/O)cc1 ZINC000019808411 170877340 /nfs/dbraw/zinc/87/73/40/170877340.db2.gz WYZNTMZLQSIVLD-UKRRQHHQSA-N 0 0 276.380 3.267 10 30 CGEERN N/C(=N\O)c1ccc(CSc2ccccc2)cc1 ZINC000019847693 170897086 /nfs/dbraw/zinc/89/70/86/170897086.db2.gz POACGLCSUWRSKD-UHFFFAOYSA-N 0 0 258.346 3.073 10 30 CGEERN C=C(C)Cn1c(C)nc2sc3c(c2c1=O)CCCC3 ZINC000020156946 171039285 /nfs/dbraw/zinc/03/92/85/171039285.db2.gz LUPJTXPHBUXCFX-UHFFFAOYSA-N 0 0 274.389 3.221 10 30 CGEERN COc1ccc(OC)c([C@@H](C#N)NCc2ccccc2)c1 ZINC000020175897 171042275 /nfs/dbraw/zinc/04/22/75/171042275.db2.gz CWQWTIAZTHLVDF-MRXNPFEDSA-N 0 0 282.343 3.058 10 30 CGEERN COCCCN[C@@H](C#N)c1ccc(Cl)cc1Cl ZINC000020177041 171043059 /nfs/dbraw/zinc/04/30/59/171043059.db2.gz SABWLIIAYGMQBU-LBPRGKRZSA-N 0 0 273.163 3.184 10 30 CGEERN COc1cccc([C@H](C#N)NC2CCCCC2)c1OC ZINC000020176902 171043086 /nfs/dbraw/zinc/04/30/86/171043086.db2.gz ODEDQTRJNAJWQH-AWEZNQCLSA-N 0 0 274.364 3.191 10 30 CGEERN C[C@H](Oc1ccc(CC#N)cc1)C(=O)Nc1ccccc1 ZINC000020297367 171137305 /nfs/dbraw/zinc/13/73/05/171137305.db2.gz PICOCHQAJVHLOS-ZDUSSCGKSA-N 0 0 280.327 3.159 10 30 CGEERN N#C[C@@H](c1ccc(O)cc1)[C@@H](C#N)c1ccc(O)cc1 ZINC000027431907 171517176 /nfs/dbraw/zinc/51/71/76/171517176.db2.gz CVYGUAJDEHYTCH-HOTGVXAUSA-N 0 0 264.284 3.012 10 30 CGEERN COc1ccc2ccccc2c1C=Nn1c(C)n[nH]c1=S ZINC000035455536 172206711 /nfs/dbraw/zinc/20/67/11/172206711.db2.gz XSVDNNOYBCCSKS-SXGWCWSVSA-N 0 0 298.371 3.293 10 30 CGEERN CN[C@@H](c1cc(F)ccc1F)C(F)(F)C(F)(F)F ZINC000035468594 172217777 /nfs/dbraw/zinc/21/77/77/172217777.db2.gz OXFNLWWTZMFAHX-QMMMGPOBSA-N 0 0 275.167 3.423 10 30 CGEERN C[C@@H](O)c1ccccc1OCc1cccc(C#N)c1 ZINC000035626788 172305801 /nfs/dbraw/zinc/30/58/01/172305801.db2.gz OKXGGPMMKAPWEL-GFCCVEGCSA-N 0 0 253.301 3.191 10 30 CGEERN COc1ccc([C@@H](C#N)C(=O)c2ccc(C)o2)cc1 ZINC000036931026 172811209 /nfs/dbraw/zinc/81/12/09/172811209.db2.gz CZZJIWIEYIXHHG-CYBMUJFWSA-N 0 0 255.273 3.087 10 30 CGEERN N#Cc1ccc(Nc2nc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000037331703 173132590 /nfs/dbraw/zinc/13/25/90/173132590.db2.gz STSPUTIAZZBOSW-UHFFFAOYSA-N 0 0 274.667 3.258 10 30 CGEERN Cc1ccc(Sc2ncc(N)cc2C#N)cc1C ZINC000037759422 173685023 /nfs/dbraw/zinc/68/50/23/173685023.db2.gz LKMJJNGJYHFFCF-UHFFFAOYSA-N 0 0 255.346 3.304 10 30 CGEERN N#Cc1c(Cl)nsc1-c1cccc([N+](=O)[O-])c1 ZINC000038241648 174137571 /nfs/dbraw/zinc/13/75/71/174137571.db2.gz DTRGHTSNCGJJJM-UHFFFAOYSA-N 0 0 265.681 3.243 10 30 CGEERN CC(C)(C)OC(=O)NCCc1c[nH]c2ccc(C#N)cc12 ZINC000038922334 174159614 /nfs/dbraw/zinc/15/96/14/174159614.db2.gz ZQPAILDMANGQJU-UHFFFAOYSA-N 0 0 285.347 3.107 10 30 CGEERN CN(C)c1oc(/C=N/c2cccnc2)cc1Br ZINC000039127068 174163711 /nfs/dbraw/zinc/16/37/11/174163711.db2.gz NPOLHMZYPBMJCD-OVCLIPMQSA-N 0 0 294.152 3.254 10 30 CGEERN CCCCN=C1NC(=NCCCC)c2ccccc21 ZINC000039477893 174169007 /nfs/dbraw/zinc/16/90/07/174169007.db2.gz FTQSGCGCEMYYKY-UHFFFAOYSA-N 0 0 257.381 3.383 10 30 CGEERN Cc1ccc(C(=O)NC2(C#N)CCCCCC2)s1 ZINC000040221544 174207086 /nfs/dbraw/zinc/20/70/86/174207086.db2.gz CZFOLCQYTWWIBK-UHFFFAOYSA-N 0 0 262.378 3.403 10 30 CGEERN C=CCNc1ncnc(Sc2ccccc2)c1[N+](=O)[O-] ZINC000040598789 174349912 /nfs/dbraw/zinc/34/99/12/174349912.db2.gz OPPGRRAZQDUJBM-UHFFFAOYSA-N 0 0 288.332 3.134 10 30 CGEERN CC(C)N(CCC#N)c1ccc([N+](=O)[O-])cc1Cl ZINC000044414997 175172980 /nfs/dbraw/zinc/17/29/80/175172980.db2.gz MGDNTWUCTXWNLZ-UHFFFAOYSA-N 0 0 267.716 3.377 10 30 CGEERN Fc1cc(F)c(NC2=NC[C@H](C3CC3)S2)cc1F ZINC000071308031 176116515 /nfs/dbraw/zinc/11/65/15/176116515.db2.gz GYTBKGPYMWHMRK-LLVKDONJSA-N 0 0 272.295 3.206 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)c1cc(F)c(F)cc1Cl ZINC000335295878 226236834 /nfs/dbraw/zinc/23/68/34/226236834.db2.gz ADGZOVPZNMCUIL-JMCQJSRRSA-N 0 0 284.693 3.040 10 30 CGEERN SCc1noc2c1Cc1cc(Br)ccc1-2 ZINC000725253061 544113007 /nfs/dbraw/zinc/11/30/07/544113007.db2.gz UYIVFYBNXSDYEF-UHFFFAOYSA-N 0 0 282.162 3.438 10 30 CGEERN Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC(C)(C)C1 ZINC000329061886 227277775 /nfs/dbraw/zinc/27/77/75/227277775.db2.gz UYKNKWLYCITYSP-JHJVBQTASA-N 0 0 291.395 3.033 10 30 CGEERN C[C@@H]1OCCC[C@H]1C(=O)NCc1nc2c(s1)CCCC2 ZINC000330043438 228026023 /nfs/dbraw/zinc/02/60/23/228026023.db2.gz HGFQALUPFYGIPN-WDEREUQCSA-N 0 0 294.420 3.294 10 30 CGEERN Cc1nnc(-c2ccccc2C(=O)N[C@@H]2CCC[C@H]2C#N)o1 ZINC000330080647 228034351 /nfs/dbraw/zinc/03/43/51/228034351.db2.gz PEFLVWVTOQJAOF-SMDDNHRTSA-N 0 0 296.330 3.042 10 30 CGEERN C[C@]1(C(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)CCCNC1=O ZINC000330320643 228146835 /nfs/dbraw/zinc/14/68/35/228146835.db2.gz RUODVUPMQJWYCQ-KRXQYRFLSA-N 0 0 298.386 3.285 10 30 CGEERN CCn1cccc1CNc1cccc(OCC#N)c1 ZINC000091024457 260265335 /nfs/dbraw/zinc/26/53/35/260265335.db2.gz HCJBIDZWHKDKQF-UHFFFAOYSA-N 0 0 255.321 3.022 10 30 CGEERN Cc1ccc([C@H]2CN(CC#Cc3ccc(F)cc3)CCO2)o1 ZINC000158698609 260901715 /nfs/dbraw/zinc/90/17/15/260901715.db2.gz RDEQSNIRJDHLIR-GOSISDBHSA-N 0 0 299.345 3.152 10 30 CGEERN CC(C)[C@](C)(C#N)NC(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000104351322 261293365 /nfs/dbraw/zinc/29/33/65/261293365.db2.gz YUHHNHQLYYWPKE-KRWDZBQOSA-N 0 0 299.349 3.284 10 30 CGEERN Cc1ccc([C@@H](C)NC(=O)c2cccc(F)c2C#N)o1 ZINC000188238049 262285750 /nfs/dbraw/zinc/28/57/50/262285750.db2.gz QWXPIMFWQHRKKL-SNVBAGLBSA-N 0 0 272.279 3.090 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1csc2ccccc12 ZINC000061888258 262404941 /nfs/dbraw/zinc/40/49/41/262404941.db2.gz MCWFEBUHEHBLML-GWCFXTLKSA-N 0 0 270.357 3.323 10 30 CGEERN N#CC1(C(=O)NC2C3CC4CC(C3)CC2C4)CCCC1 ZINC000153077332 262694500 /nfs/dbraw/zinc/69/45/00/262694500.db2.gz RESSOCLCNADGEB-UHFFFAOYSA-N 0 0 272.392 3.011 10 30 CGEERN C[C@@H]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)c2ccccc21 ZINC000125006361 287785156 /nfs/dbraw/zinc/78/51/56/287785156.db2.gz NUFAQCUECOBRBN-ABAIWWIYSA-N 0 0 279.343 3.255 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NCc1ccccc1C(F)(F)F ZINC000061626628 274916836 /nfs/dbraw/zinc/91/68/36/274916836.db2.gz XAGGLINXXWFZAW-GXFFZTMASA-N 0 0 268.282 3.487 10 30 CGEERN CSc1cc([N+](=O)[O-])cc2c(Cl)c(C#N)cnc12 ZINC000095937927 278169857 /nfs/dbraw/zinc/16/98/57/278169857.db2.gz PCDHMCMCHWAJMU-UHFFFAOYSA-N 0 0 279.708 3.390 10 30 CGEERN C[C@@H]1OCC[C@@H]1Nc1ccc(C#N)cc1C(F)(F)F ZINC000147497408 279045423 /nfs/dbraw/zinc/04/54/23/279045423.db2.gz UTAGZZGJJOPXNG-KWQFWETISA-N 0 0 270.254 3.166 10 30 CGEERN N#Cc1nccc2c(F)c(F)c(Br)cc12 ZINC000521401732 279549266 /nfs/dbraw/zinc/54/92/66/279549266.db2.gz NYASTPFROHJGNY-UHFFFAOYSA-N 0 0 269.048 3.147 10 30 CGEERN N#C[C@]1(C(=O)NC2C3CC4CC(C3)CC2C4)CC12CCCC2 ZINC000333831442 294854277 /nfs/dbraw/zinc/85/42/77/294854277.db2.gz LHUMIKDWUZJSLD-HJCGZBHYSA-N 0 0 298.430 3.401 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1csc2c1CCCC2 ZINC000335751965 327517866 /nfs/dbraw/zinc/51/78/66/327517866.db2.gz RTQRCWHSBADOFM-GWCFXTLKSA-N 0 0 274.389 3.049 10 30 CGEERN C[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1ccc(CC#N)cc1 ZINC000117581632 328941413 /nfs/dbraw/zinc/94/14/13/328941413.db2.gz YVPXIYLVABGDEK-SJKOYZFVSA-N 0 0 292.338 3.256 10 30 CGEERN CCCCCCCC(=O)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000188671595 329371814 /nfs/dbraw/zinc/37/18/14/329371814.db2.gz XLZWRKAHZWEUIO-MCIONIFRSA-N 0 0 253.386 3.031 10 30 CGEERN C=CCC1(C(=O)N2CCO[C@H](c3ccc(C)o3)C2)CCC1 ZINC000189764281 329388131 /nfs/dbraw/zinc/38/81/31/329388131.db2.gz DQSYNQXSWSYZNJ-HNNXBMFYSA-N 0 0 289.375 3.234 10 30 CGEERN C=C(C)C[C@H](C)C(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000184941529 333133401 /nfs/dbraw/zinc/13/34/01/333133401.db2.gz UWAIVDBWPRYKJW-QWRGUYRKSA-N 0 0 263.303 3.390 10 30 CGEERN C=CCC[C@H](NC(=O)[C@@H]1CC[C@@H](C)O1)c1ccccc1 ZINC000134011971 334077403 /nfs/dbraw/zinc/07/74/03/334077403.db2.gz JDDINPCCYABMJV-KBMXLJTQSA-N 0 0 273.376 3.378 10 30 CGEERN CC(C)C[C@@H](C)N(C)c1ccc(/C(N)=N/O)cc1Cl ZINC000062794631 519772557 /nfs/dbraw/zinc/77/25/57/519772557.db2.gz WYAJNONCFQCIKG-SNVBAGLBSA-N 0 0 283.803 3.305 10 30 CGEERN CC[C@@H](C)N(CC)c1ccc(Cl)cc1/C(N)=N/O ZINC000052860532 522085091 /nfs/dbraw/zinc/08/50/91/522085091.db2.gz BGNXOCPXQHFFEV-SECBINFHSA-N 0 0 269.776 3.059 10 30 CGEERN CCn1ccnc1COc1cc(Cl)ccc1C#N ZINC000161646277 523542740 /nfs/dbraw/zinc/54/27/40/523542740.db2.gz WIDMNBQUHVZWLA-UHFFFAOYSA-N 0 0 261.712 3.007 10 30 CGEERN CN/C(=N\O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000068592140 523671429 /nfs/dbraw/zinc/67/14/29/523671429.db2.gz UMSJAGDOHNPGGU-UHFFFAOYSA-N 0 0 278.396 3.342 10 30 CGEERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1csc(=O)[nH]1 ZINC000329909793 534760344 /nfs/dbraw/zinc/76/03/44/534760344.db2.gz MTZSXCZOLLGCRT-RNFRBKRXSA-N 0 0 294.298 3.274 10 30 CGEERN COc1ccc(Cl)cc1N[C@@H]1CCC[C@H]1C#N ZINC000054823733 524246095 /nfs/dbraw/zinc/24/60/95/524246095.db2.gz NOHGGWMFDDZBHI-GXSJLCMTSA-N 0 0 250.729 3.453 10 30 CGEERN C[C@@H](CC#N)N(C)c1ccccc1Br ZINC000049839625 524339727 /nfs/dbraw/zinc/33/97/27/524339727.db2.gz YYLWVGSSASNLMU-VIFPVBQESA-N 0 0 253.143 3.187 10 30 CGEERN C[C@@H](c1cccs1)N(C)c1ccc(C#N)cc1N ZINC000049727127 526146531 /nfs/dbraw/zinc/14/65/31/526146531.db2.gz QMUWSXMNFVULCA-JTQLQIEISA-N 0 0 257.362 3.399 10 30 CGEERN C[C@H](CC#N)[C@H](O)c1cccc(Br)c1 ZINC000049840337 526218693 /nfs/dbraw/zinc/21/86/93/526218693.db2.gz ADSBGQXOAWNVQG-KCJUWKMLSA-N 0 0 254.127 3.032 10 30 CGEERN N#C[C@H](C(=O)Nc1ccccc1F)c1ccccc1 ZINC000061614131 526505457 /nfs/dbraw/zinc/50/54/57/526505457.db2.gz QYDLADKJTTUKSL-LBPRGKRZSA-N 0 0 254.264 3.072 10 30 CGEERN N#Cc1ccc(N[C@@H]2COc3ccccc32)c(F)c1 ZINC000112012703 526666573 /nfs/dbraw/zinc/66/65/73/526666573.db2.gz KJYXGFPCWGYPCI-CQSZACIVSA-N 0 0 254.264 3.243 10 30 CGEERN N#Cc1cccc(COc2ccc(N)c(Cl)c2)c1 ZINC000050470684 526710930 /nfs/dbraw/zinc/71/09/30/526710930.db2.gz CACHWGFKUAJHIT-UHFFFAOYSA-N 0 0 258.708 3.373 10 30 CGEERN CC1(C)C[C@H]1c1noc([C@]2(C#N)CC23CCCC3)n1 ZINC000333853238 527767674 /nfs/dbraw/zinc/76/76/74/527767674.db2.gz PXUZLFHQBPXLAW-ZUZCIYMTSA-N 0 0 257.337 3.309 10 30 CGEERN CC(=O)Nc1ccc(O)c(C(=O)N2CC[C@@H]3CCC[C@H]32)c1 ZINC000330299949 528747502 /nfs/dbraw/zinc/74/75/02/528747502.db2.gz IGGXNIVINLOMPN-SMDDNHRTSA-N 0 0 288.347 3.015 10 30 CGEERN CCC[C@@H](C#C[Si](C)(C)C)N[S@](=O)C(C)(C)C ZINC000170012558 566871705 /nfs/dbraw/zinc/87/17/05/566871705.db2.gz JPNYDMZMKCNGAK-BLLLJJGKSA-N 0 0 273.518 3.088 10 30 CGEERN C=C(F)C1(CC(=O)[O-])CC[NH+](Cc2ccccc2)CC1 ZINC000725259553 568587549 /nfs/dbraw/zinc/58/75/49/568587549.db2.gz DWVMUXNZCONXLF-UHFFFAOYSA-N 0 0 277.339 3.227 10 30 CGEERN C#CCn1c(-c2ccccc2)nc2sc(C)c(C)c2c1=O ZINC000049066735 581093801 /nfs/dbraw/zinc/09/38/01/581093801.db2.gz QCAGZHQYMFWBKP-UHFFFAOYSA-N 0 0 294.379 3.375 10 30 CGEERN O=c1[nH]c2ccccc2cc1C=N[C@H]1COc2ccccc21 ZINC000254971591 617707235 /nfs/dbraw/zinc/70/72/35/617707235.db2.gz BDYLOMDVONFYPB-WSLMLHKMSA-N 0 0 290.322 3.493 10 30 CGEERN COc1cccc(/C=N\[C@H]2CCOc3ccccc32)c1O ZINC000255100527 617922354 /nfs/dbraw/zinc/92/23/54/617922354.db2.gz CFNGVJYCAWPNLB-DZBQEORWSA-N 0 0 283.327 3.344 10 30 CGEERN C=C(Br)CNC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000161918142 618728403 /nfs/dbraw/zinc/72/84/03/618728403.db2.gz RRZGUNWFNKZUFD-NEPJUHHUSA-N 0 0 286.213 3.228 10 30 CGEERN COc1ccc(C[C@H](C)OC(=O)c2ccc(C#N)cc2)cc1 ZINC000077562853 618805600 /nfs/dbraw/zinc/80/56/00/618805600.db2.gz VRHLRIMSTLWMSW-ZDUSSCGKSA-N 0 0 295.338 3.355 10 30 CGEERN Cc1ccc2c(c1)ncc(C#N)c2NC[C@H]1CCCO1 ZINC000223148233 622855385 /nfs/dbraw/zinc/85/53/85/622855385.db2.gz HGMSCGNCRUZACT-CYBMUJFWSA-N 0 0 267.332 3.006 10 30 CGEERN C#Cc1cccc(N(CC)Cc2nccn2C(C)C)c1 ZINC000171395782 623157613 /nfs/dbraw/zinc/15/76/13/623157613.db2.gz MFPQUEOTBOTZQB-UHFFFAOYSA-N 0 0 267.376 3.472 10 30 CGEERN C=CCCC(=O)O[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000119614643 629669289 /nfs/dbraw/zinc/66/92/89/629669289.db2.gz PVVKNCHSHMKGFK-QWHCGFSZSA-N 0 0 252.354 3.234 10 30 CGEERN C=CCCOC(=O)c1cc(C(C)C)n(C(C)(C)C)n1 ZINC000103647227 630336970 /nfs/dbraw/zinc/33/69/70/630336970.db2.gz PITLEISENDMKPD-UHFFFAOYSA-N 0 0 264.369 3.494 10 30 CGEERN Oc1ccccc1/C=N/[C@H]1CCOc2ccccc21 ZINC000022690562 635505776 /nfs/dbraw/zinc/50/57/76/635505776.db2.gz DAIVPLBLCBKIIL-MPMPPSQCSA-N 0 0 253.301 3.335 10 30 CGEERN Cn1cc(C#N)cc1C(=O)O[C@H]1CCCc2ccccc21 ZINC000083687408 640598828 /nfs/dbraw/zinc/59/88/28/640598828.db2.gz GKLJYBGHYCVFSR-INIZCTEOSA-N 0 0 280.327 3.131 10 30 CGEERN C/C(=C/c1ccc(C)cc1)C(=O)O[C@H](C#N)C(C)C ZINC000588402003 799688858 /nfs/dbraw/zinc/68/88/58/799688858.db2.gz WEWDGTZCQQTKCV-UZGISAJGSA-N 0 0 257.333 3.490 10 30 CGEERN CCCCCCNC(=O)C(C#N)=C(O)C(C)=CC(C)(C)C ZINC000588507778 799703596 /nfs/dbraw/zinc/70/35/96/799703596.db2.gz HVDMXDNMMRXZOS-YBEMTRGBSA-N 0 0 292.423 3.384 10 30 CGEERN Cc1ccc(CON=C2CCOc3ccccc32)c(C)n1 ZINC000588510334 799704831 /nfs/dbraw/zinc/70/48/31/799704831.db2.gz LBZATRFBOODDFH-UHFFFAOYSA-N 0 0 282.343 3.402 10 30 CGEERN C#CC[C@H](OC(=O)/C=C\c1cncc(C)c1)C(C)(C)C ZINC000588539679 799709723 /nfs/dbraw/zinc/70/97/23/799709723.db2.gz DOBIBEYRJYUJAR-CDNLZTBQSA-N 0 0 271.360 3.384 10 30 CGEERN O=C(/C=C\c1cocn1)c1ccc(Br)s1 ZINC000588578400 799716003 /nfs/dbraw/zinc/71/60/03/799716003.db2.gz YLTRHWHDNAZQQS-UPHRSURJSA-N 0 0 284.134 3.395 10 30 CGEERN C#CCCCCC[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000686679105 976115018 /nfs/dbraw/zinc/11/50/18/976115018.db2.gz ZPUHRGYTHWFXSJ-CQSZACIVSA-N 0 0 265.397 3.003 10 30 CGEERN C=CCNc1ncc(Br)cc1Br ZINC000082586868 178123982 /nfs/dbraw/zinc/12/39/82/178123982.db2.gz HQMVIHMWTYULNN-UHFFFAOYSA-N 0 0 291.974 3.205 10 30 CGEERN O=C(CCc1ccccc1)c1ccc(OC[C@@H]2CO2)cc1 ZINC000005084868 344861043 /nfs/dbraw/zinc/86/10/43/344861043.db2.gz LMSJWHKIHIJVRK-QGZVFWFLSA-N 0 0 282.339 3.280 10 30 CGEERN CC(C)[C@H](C#N)C(=O)c1ccccc1Br ZINC000041045658 344966919 /nfs/dbraw/zinc/96/69/19/344966919.db2.gz FJZHOBAJDWZVBP-JTQLQIEISA-N 0 0 266.138 3.428 10 30 CGEERN N#CCc1ccc(I)c(Cl)c1 ZINC000034399957 344938984 /nfs/dbraw/zinc/93/89/84/344938984.db2.gz IMCBWGKXTJDZMZ-UHFFFAOYSA-N 0 0 277.492 3.011 10 30 CGEERN CC[C@@H](C#N)C(=O)c1cc(F)ccc1Br ZINC000036915908 344945586 /nfs/dbraw/zinc/94/55/86/344945586.db2.gz DOOMIZFIDZMZKZ-ZETCQYMHSA-N 0 0 270.101 3.321 10 30 CGEERN CCCCC#CCCCC(=O)C(OCC)OCC ZINC000043504165 344999622 /nfs/dbraw/zinc/99/96/22/344999622.db2.gz HNRUIEVPNJZAGX-UHFFFAOYSA-N 0 0 254.370 3.319 10 30 CGEERN CC[C@@H](C#N)Nc1cc(Br)ccc1C ZINC000043540234 345001077 /nfs/dbraw/zinc/00/10/77/345001077.db2.gz QKDTVBVTCYMSPF-JTQLQIEISA-N 0 0 253.143 3.472 10 30 CGEERN O=C(NCC#Cc1ccccc1)N[C@H]1CCc2ccccc21 ZINC000045611581 345027823 /nfs/dbraw/zinc/02/78/23/345027823.db2.gz GQSKGLJTEXWOKP-SFHVURJKSA-N 0 0 290.366 3.025 10 30 CGEERN C=CCC(=O)Nc1cc(Br)ccc1C ZINC000054400224 345135159 /nfs/dbraw/zinc/13/51/59/345135159.db2.gz FXFGUZIHIOLXJR-UHFFFAOYSA-N 0 0 254.127 3.272 10 30 CGEERN C#C[C@H](C)Nc1c(F)cc(F)cc1Br ZINC000135165790 346086357 /nfs/dbraw/zinc/08/63/57/346086357.db2.gz AWSIXXCEFPWFMQ-LURJTMIESA-N 0 0 260.081 3.161 10 30 CGEERN N#CC[S@](=O)C1c2ccccc2-c2ccccc21 ZINC000137214187 346093386 /nfs/dbraw/zinc/09/33/86/346093386.db2.gz SOHXCOTZEZYZJG-GOSISDBHSA-N 0 0 253.326 3.029 10 30 CGEERN OCC#Cc1ccc(C(F)(F)F)cc1C(F)(F)F ZINC000142785030 346111867 /nfs/dbraw/zinc/11/18/67/346111867.db2.gz OMSZPNIJXDQXNZ-UHFFFAOYSA-N 0 0 268.156 3.068 10 30 CGEERN O=CCC1(CCc2ccc(O)cc2)SCCCS1 ZINC000166647445 346186742 /nfs/dbraw/zinc/18/67/42/346186742.db2.gz RHTBXBKFGLSGKK-UHFFFAOYSA-N 0 0 282.430 3.480 10 30 CGEERN C=C(C)CNc1cc(F)c(Br)cc1N ZINC000167429517 346189009 /nfs/dbraw/zinc/18/90/09/346189009.db2.gz IVXBYDAPJVJPSO-UHFFFAOYSA-N 0 0 259.122 3.158 10 30 CGEERN C#CC(=O)c1cc(Br)c(Br)s1 ZINC000168746771 346190985 /nfs/dbraw/zinc/19/09/85/346190985.db2.gz VDWPINAXVUTPSE-UHFFFAOYSA-N 0 0 293.967 3.089 10 30 CGEERN COc1cc(Cl)c(CC#N)cc1Br ZINC000218072467 346292780 /nfs/dbraw/zinc/29/27/80/346292780.db2.gz BUQGJVGQARDJSE-UHFFFAOYSA-N 0 0 260.518 3.177 10 30 CGEERN CN(C)/C=C1\C(=O)C(C)(C)C[C@H]1c1ccc(C#N)cc1 ZINC000219248786 346294916 /nfs/dbraw/zinc/29/49/16/346294916.db2.gz SGCPITXPZQVLEE-XFNCEPBJSA-N 0 0 268.360 3.086 10 30 CGEERN C=CC[C@@]1(COCc2ccccc2)CC[C@H](OC)O1 ZINC000225940490 346305660 /nfs/dbraw/zinc/30/56/60/346305660.db2.gz DYGVOZROBINVGB-CVEARBPZSA-N 0 0 262.349 3.301 10 30 CGEERN Cc1ccc(Cn2cc(C#N)c(=O)c3cc(F)ccc32)cc1 ZINC000085345646 179028520 /nfs/dbraw/zinc/02/85/20/179028520.db2.gz MJUWRJRGZUKWRB-UHFFFAOYSA-N 0 0 292.313 3.369 10 30 CGEERN N#C[C@@H]1CCO[C@@H]1c1sccc1Br ZINC000228022859 346312514 /nfs/dbraw/zinc/31/25/14/346312514.db2.gz SVZYQCZRPXCRAB-XPUUQOCRSA-N 0 0 258.140 3.112 10 30 CGEERN N#CCc1cc(Br)c(F)cc1Br ZINC000238567973 346349551 /nfs/dbraw/zinc/34/95/51/346349551.db2.gz HTWYCPWUVGSTRL-UHFFFAOYSA-N 0 0 292.933 3.417 10 30 CGEERN C#CCCC(=O)Nc1ccc(C)cc1Br ZINC000235784189 346337109 /nfs/dbraw/zinc/33/71/09/346337109.db2.gz KFGGARHBAMZCKV-UHFFFAOYSA-N 0 0 266.138 3.109 10 30 CGEERN C=C(C)C[C@H]([NH3+])c1cccc(Br)c1[O-] ZINC000306864208 346458642 /nfs/dbraw/zinc/45/86/42/346458642.db2.gz KYEZJPKRSJKYNU-JTQLQIEISA-N 0 0 256.143 3.121 10 30 CGEERN N#C[C@H]1CCCC[C@H]1NCc1cnn(Cc2ccccc2)c1 ZINC000390184178 346573485 /nfs/dbraw/zinc/57/34/85/346573485.db2.gz KXCOUMGIPHODLI-QZTJIDSGSA-N 0 0 294.402 3.103 10 30 CGEERN N#Cc1ccc(N)c(C(F)(F)F)c1C(F)(F)F ZINC000514264367 346636511 /nfs/dbraw/zinc/63/65/11/346636511.db2.gz NWOZAWMCCJRHSE-UHFFFAOYSA-N 0 0 254.133 3.178 10 30 CGEERN O/N=C1\c2ccccc2CCC[C@H]1c1cccnc1 ZINC000584638276 346701601 /nfs/dbraw/zinc/70/16/01/346701601.db2.gz KPZLHOAEVLKHSI-DUPDJQDOSA-N 0 0 252.317 3.380 10 30 CGEERN N#C[C@H](c1cccc(F)c1F)[C@@H](CCO)c1cncs1 ZINC000584639276 346702255 /nfs/dbraw/zinc/70/22/55/346702255.db2.gz KJOYSKGUYCMJSR-KOLCDFICSA-N 0 0 294.326 3.195 10 30 CGEERN COc1ccc(/C=N/c2cc(OC)cc(OC)c2)cc1 ZINC000584592624 346686575 /nfs/dbraw/zinc/68/65/75/346686575.db2.gz SVAPLHQCKFQBFW-GZTJUZNOSA-N 0 0 271.316 3.463 10 30 CGEERN COc1cc([C@@H](C#N)c2ccccc2C#N)ccc1[N+](=O)[O-] ZINC000584594716 346686976 /nfs/dbraw/zinc/68/69/76/346686976.db2.gz WNJNSASERZRZTC-CQSZACIVSA-N 0 0 293.282 3.131 10 30 CGEERN C#C[C@@](OC(C)=O)(c1cccc(Cl)c1)C1(C#N)CC1 ZINC000584603496 346690276 /nfs/dbraw/zinc/69/02/76/346690276.db2.gz ZUWOKNGAZXBTHT-OAHLLOKOSA-N 0 0 273.719 3.035 10 30 CGEERN CSC(=S)N/N=C(\C)c1nccc2ccccc21 ZINC000584605036 346690508 /nfs/dbraw/zinc/69/05/08/346690508.db2.gz AWWLFGUGTQDSNN-OQLLNIDSSA-N 0 0 275.402 3.196 10 30 CGEERN COc1cccc(C(=O)C=C2SCCS2)c1 ZINC000584621878 346695973 /nfs/dbraw/zinc/69/59/73/346695973.db2.gz SKQCUZJFSATRNV-UHFFFAOYSA-N 0 0 252.360 3.199 10 30 CGEERN CSc1ccc(C2=CC[C@@H](OS(C)(=O)=O)CC2)cc1 ZINC000584631335 346699175 /nfs/dbraw/zinc/69/91/75/346699175.db2.gz LUXREIGDCQZNHF-CYBMUJFWSA-N 0 0 298.429 3.321 10 30 CGEERN N#C[C@H](c1cscn1)[C@@H](CCO)c1c(F)cccc1F ZINC000584637000 346700964 /nfs/dbraw/zinc/70/09/64/346700964.db2.gz CUYXRTVSQQHSLG-ZJUUUORDSA-N 0 0 294.326 3.195 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1csc(C(F)(F)F)c1 ZINC000599630572 347760214 /nfs/dbraw/zinc/76/02/14/347760214.db2.gz SIMOYQUXEYTWPM-APPZFPTMSA-N 0 0 288.294 3.189 10 30 CGEERN Cc1ccc(CCC(=O)N[C@H]2CCC[C@@H]2C#N)cc1Cl ZINC000610497145 348385114 /nfs/dbraw/zinc/38/51/14/348385114.db2.gz QFZLOMSOYVLATF-HIFRSBDPSA-N 0 0 290.794 3.390 10 30 CGEERN N#Cc1cc(N[C@H]2CCC[C@H](O)C2)ccc1C(F)(F)F ZINC000613268846 348582801 /nfs/dbraw/zinc/58/28/01/348582801.db2.gz LJBSRRRWEXKJJL-JQWIXIFHSA-N 0 0 284.281 3.292 10 30 CGEERN N#Cc1ccccc1[C@@H]1COCCN1Cc1ccccc1 ZINC000616637756 348853855 /nfs/dbraw/zinc/85/38/55/348853855.db2.gz BJFFKJFKMSZKTH-SFHVURJKSA-N 0 0 278.355 3.132 10 30 CGEERN CCOC(=O)N1CCCC[C@@H](c2cccc(C#N)c2)C1 ZINC000616654119 348858038 /nfs/dbraw/zinc/85/80/38/348858038.db2.gz MNHHIFCWUSLJBN-OAHLLOKOSA-N 0 0 272.348 3.284 10 30 CGEERN CC[C@H]1CCCC[C@H]1Oc1cccc(/C(N)=N/O)c1 ZINC000104381501 185987775 /nfs/dbraw/zinc/98/77/75/185987775.db2.gz JWDLFKVWJMZGRH-SMDDNHRTSA-N 0 0 262.353 3.129 10 30 CGEERN N#Cc1ccc(N2CCC(=Cc3ccccc3)CC2)nn1 ZINC000301972667 283153658 /nfs/dbraw/zinc/15/36/58/283153658.db2.gz UFSCAENXALJKFB-UHFFFAOYSA-N 0 0 276.343 3.032 10 30 CGEERN CCS[C@H]1CC[C@@]1(O)CNc1c(Cl)cccc1C#N ZINC000301503441 138578405 /nfs/dbraw/zinc/57/84/05/138578405.db2.gz YNDVPURJMIUDQA-GXTWGEPZSA-N 0 0 296.823 3.270 10 30 CGEERN N#Cc1cc(F)ccc1N[C@@H]1CCN(c2ccccc2)C1 ZINC000301409582 200999496 /nfs/dbraw/zinc/99/94/96/200999496.db2.gz XFUDRRFKLHMXMP-OAHLLOKOSA-N 0 0 281.334 3.388 10 30 CGEERN Cc1cc(Oc2ccc(C=O)cc2[N+](=O)[O-])c(C#N)c(C)n1 ZINC000301751538 201175661 /nfs/dbraw/zinc/17/56/61/201175661.db2.gz BCSIYPZEWBMVGO-UHFFFAOYSA-N 0 0 297.270 3.083 10 30 CGEERN CC(=O)Nc1ccc(Oc2cc(C)nc(C)c2C#N)cc1 ZINC000301791628 201199336 /nfs/dbraw/zinc/19/93/36/201199336.db2.gz QZVDDUUQPKQZIX-UHFFFAOYSA-N 0 0 281.315 3.321 10 30 CGEERN C=C(C)[C@H](NC(=O)C[C@@H](O)C(C)C)c1ccc(F)c(F)c1 ZINC000184841492 189397163 /nfs/dbraw/zinc/39/71/63/189397163.db2.gz VVZOTHRHKJIUFT-ZBFHGGJFSA-N 0 0 297.345 3.105 10 30 CGEERN C[C@H](c1ccccc1)N(C)c1ccc([N+](=O)[O-])c(C#N)n1 ZINC000302723931 201526032 /nfs/dbraw/zinc/52/60/32/201526032.db2.gz MQQJMALTKSZCPD-LLVKDONJSA-N 0 0 282.303 3.059 10 30 CGEERN Cc1ccccc1NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000003445335 368506772 /nfs/dbraw/zinc/50/67/72/368506772.db2.gz KOIZPYOQILWWLM-CYBMUJFWSA-N 0 0 280.327 3.273 10 30 CGEERN O=C1C(=O)N(C2CCCCC2)C/C1=C\C=C\c1ccccc1 ZINC000006529036 368567746 /nfs/dbraw/zinc/56/77/46/368567746.db2.gz MEWUECGYWFJHFA-RWZRJOGJSA-N 0 0 295.382 3.370 10 30 CGEERN Nc1ncc(Br)cc1/N=C/c1ccccc1 ZINC000013111614 368642632 /nfs/dbraw/zinc/64/26/32/368642632.db2.gz OZFHWELCBWFVEW-VIZOYTHASA-N 0 0 276.137 3.177 10 30 CGEERN S=C1N=NC(C2CCCCC2)N1N=Cc1ccco1 ZINC000013115282 368643655 /nfs/dbraw/zinc/64/36/55/368643655.db2.gz ZDKVWSSLOJIXBO-ZROIWOOFSA-N 0 0 276.365 3.090 10 30 CGEERN COc1ccc(C(=O)/C=C\c2ccco2)c(OC)c1 ZINC000033391534 368964147 /nfs/dbraw/zinc/96/41/47/368964147.db2.gz JYJTZRMEDZDUQB-VURMDHGXSA-N 0 0 258.273 3.193 10 30 CGEERN C[Si](C)(C)C#Cc1ccc(Br)nc1 ZINC000196032965 291455519 /nfs/dbraw/zinc/45/55/19/291455519.db2.gz ALBWBSINXNTKEN-UHFFFAOYSA-N 0 0 254.203 3.073 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NCc1cc(Br)ccc1F ZINC000054826262 369506947 /nfs/dbraw/zinc/50/69/47/369506947.db2.gz LAPZOYOZRBYJQM-RNCFNFMXSA-N 0 0 297.171 3.370 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000061888710 369609729 /nfs/dbraw/zinc/60/97/29/369609729.db2.gz OLDVKGRBPBJEBA-JQWIXIFHSA-N 0 0 282.265 3.127 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NCc1cc(Br)cs1 ZINC000061891763 369610894 /nfs/dbraw/zinc/61/08/94/369610894.db2.gz LROPSNSHVZYUEG-KCJUWKMLSA-N 0 0 285.210 3.292 10 30 CGEERN Cc1ccc(NC(=O)N[C@H]2CCC[C@H]2C#N)cc1Cl ZINC000061889418 369611281 /nfs/dbraw/zinc/61/12/81/369611281.db2.gz NWYCCPCCPMKYTI-GWCFXTLKSA-N 0 0 277.755 3.462 10 30 CGEERN Fc1cccc(Cl)c1C[C@H]1COCC[C@@H]1S ZINC000095077085 370170845 /nfs/dbraw/zinc/17/08/45/370170845.db2.gz MQFLAMQLXUSITE-UFBFGSQYSA-N 0 0 260.761 3.357 10 30 CGEERN CCOC(=O)c1ccc(/N=C\c2cccc(OC)c2O)cc1 ZINC000100199500 370273887 /nfs/dbraw/zinc/27/38/87/370273887.db2.gz MJHNNXMGWZGPAE-WQRHYEAKSA-N 0 0 299.326 3.328 10 30 CGEERN CC(=O)N(C)c1ccc(/N=C\c2ccc([N+](=O)[O-])cc2)cc1 ZINC000100208782 370274027 /nfs/dbraw/zinc/27/40/27/370274027.db2.gz XOSBGIROFRGJCV-BOPFTXTBSA-N 0 0 297.314 3.328 10 30 CGEERN Cc1ccc([C@H](C)NC(=O)Nc2ccc(F)c(C#N)c2)o1 ZINC000102955742 370315839 /nfs/dbraw/zinc/31/58/39/370315839.db2.gz IHMGNRXCGBUASN-JTQLQIEISA-N 0 0 287.294 3.482 10 30 CGEERN Cc1ccccc1[C@H](C)NC(=O)N1CCC(C#N)CC1 ZINC000105067661 370349699 /nfs/dbraw/zinc/34/96/99/370349699.db2.gz XKLMNKMCSJPYOV-ZDUSSCGKSA-N 0 0 271.364 3.001 10 30 CGEERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)Nc1cccc(C#N)c1 ZINC000117566454 370594445 /nfs/dbraw/zinc/59/44/45/370594445.db2.gz DQYDGXFOHXSAJS-BZNIZROVSA-N 0 0 278.311 3.061 10 30 CGEERN CCCCC[C@@H](C)Nc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000232976414 189819055 /nfs/dbraw/zinc/81/90/55/189819055.db2.gz RKYCRWJIRVTWHL-SNVBAGLBSA-N 0 0 262.313 3.242 10 30 CGEERN C[C@H](CC#N)N(C)C(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000137001765 371489744 /nfs/dbraw/zinc/48/97/44/371489744.db2.gz NSIUTZWFEZTKND-SSDOTTSWSA-N 0 0 287.146 3.073 10 30 CGEERN Cc1cc(C)c(C#N)c(N[C@H](C)c2cccc(O)c2)n1 ZINC000174720214 373359209 /nfs/dbraw/zinc/35/92/09/373359209.db2.gz DWFUMAXYLFDOCM-GFCCVEGCSA-N 0 0 267.332 3.449 10 30 CGEERN N#Cc1cccnc1N1CCC[C@H](COc2ccccc2)C1 ZINC000301258740 373716996 /nfs/dbraw/zinc/71/69/96/373716996.db2.gz CETMIPPBGTWIHU-HNNXBMFYSA-N 0 0 293.370 3.249 10 30 CGEERN C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1ccc(F)cc1C#N ZINC000177596385 373692827 /nfs/dbraw/zinc/69/28/27/373692827.db2.gz NFPCTAIXDBJFBY-MGPLVRAMSA-N 0 0 296.301 3.201 10 30 CGEERN N#Cc1ccc(N2CCC(c3noc(C4CC4)n3)CC2)cc1 ZINC000302179991 373825582 /nfs/dbraw/zinc/82/55/82/373825582.db2.gz QGCCYIVQRDVBNF-UHFFFAOYSA-N 0 0 294.358 3.203 10 30 CGEERN C=CCc1ccccc1Oc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000302754847 373952566 /nfs/dbraw/zinc/95/25/66/373952566.db2.gz WHOFVXCPYORHHO-UHFFFAOYSA-N 0 0 281.271 3.382 10 30 CGEERN C=CCCC[C@H](C)NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C ZINC000182594974 374295962 /nfs/dbraw/zinc/29/59/62/374295962.db2.gz QFIBYODDUOFDNR-HOCLYGCPSA-N 0 0 296.455 3.034 10 30 CGEERN CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@H]1CCCCC(=O)N1 ZINC000328652119 374372420 /nfs/dbraw/zinc/37/24/20/374372420.db2.gz JXJIIFULVSUHQF-ZIAGYGMSSA-N 0 0 295.427 3.107 10 30 CGEERN CO[C@H]1CCCC[C@@H]1NC(=O)C[C@H]1CCCCNC1=O ZINC000328735717 374378581 /nfs/dbraw/zinc/37/85/81/374378581.db2.gz ZEZSGROQSXBDRX-AGIUHOORSA-N 0 0 282.384 3.047 10 30 CGEERN Cc1cc([C@@H]2CCCN(C(=O)N[C@@H](C)CC3CC3)C2)[nH]n1 ZINC000328729826 374378631 /nfs/dbraw/zinc/37/86/31/374378631.db2.gz HQSZGKRVACFZHJ-SMDDNHRTSA-N 0 0 290.411 3.000 10 30 CGEERN C=CCN(Cc1ccccc1F)C(=O)[C@@H]1CCCO[C@H]1C ZINC000189863548 375453959 /nfs/dbraw/zinc/45/39/59/375453959.db2.gz AOKSDNQPCQTVIA-DZGCQCFKSA-N 0 0 291.366 3.155 10 30 CGEERN C#CCCCC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000192359371 375737904 /nfs/dbraw/zinc/73/79/04/375737904.db2.gz PUTKKVRKJXCWGG-GFCCVEGCSA-N 0 0 262.378 3.000 10 30 CGEERN C=CCCCCCSCc1nnc(CC)n1C ZINC000192544072 375762389 /nfs/dbraw/zinc/76/23/89/375762389.db2.gz QQXIDTFYQNNNMF-UHFFFAOYSA-N 0 0 253.415 3.357 10 30 CGEERN CSc1nnc(C(F)F)n1N=Cc1cccc(C)c1 ZINC000254619735 377711811 /nfs/dbraw/zinc/71/18/11/377711811.db2.gz YMFOCIPIXIKOOH-UHFFFAOYSA-N 0 0 282.319 3.128 10 30 CGEERN N#Cc1ccc(C(=O)C(F)(F)C(F)(F)F)cc1F ZINC000575243246 377766832 /nfs/dbraw/zinc/76/68/32/377766832.db2.gz ZKHABWSQEPWNCU-UHFFFAOYSA-N 0 0 267.128 3.078 10 30 CGEERN CCOC(=O)c1cc(C(F)F)c(C#N)cc1CC ZINC000575389692 377897711 /nfs/dbraw/zinc/89/77/11/377897711.db2.gz JRDLKCNNOQUNHQ-UHFFFAOYSA-N 0 0 253.248 3.235 10 30 CGEERN CCOC(=O)c1c(C#N)ccc(SC(F)(F)F)c1O ZINC000575391971 377900093 /nfs/dbraw/zinc/90/00/93/377900093.db2.gz IVRLSUNNYPUHPF-UHFFFAOYSA-N 0 0 291.250 3.052 10 30 CGEERN CCOC(=O)c1ccc(CC)c(C(F)(F)F)c1C#N ZINC000575389898 377898782 /nfs/dbraw/zinc/89/87/82/377898782.db2.gz UNVBWUFOXNWCHA-UHFFFAOYSA-N 0 0 271.238 3.316 10 30 CGEERN OCc1c(F)c(C(F)(F)F)ccc1C(F)(F)F ZINC000575381399 377892628 /nfs/dbraw/zinc/89/26/28/377892628.db2.gz SDGJHOQJWBBKHQ-UHFFFAOYSA-N 0 0 262.124 3.356 10 30 CGEERN N#CCc1cc(N)c(C(F)(F)F)cc1C(F)(F)F ZINC000575381554 377892873 /nfs/dbraw/zinc/89/28/73/377892873.db2.gz ZUENWCFEYGAERR-UHFFFAOYSA-N 0 0 268.160 3.372 10 30 CGEERN COC(=O)Cc1cc(C#N)cc(SC(F)(F)F)c1F ZINC000575390770 377899584 /nfs/dbraw/zinc/89/95/84/377899584.db2.gz ZKVBRGHUDNUSJY-UHFFFAOYSA-N 0 0 293.241 3.025 10 30 CGEERN CCOC(=O)c1c(CC)ccc(C#N)c1C(F)F ZINC000575389362 377897574 /nfs/dbraw/zinc/89/75/74/377897574.db2.gz BXJFSFAEAVUIQH-UHFFFAOYSA-N 0 0 253.248 3.235 10 30 CGEERN N#CCc1ccc(C#N)c(OC(F)F)c1OC(F)(F)F ZINC000575640858 377925016 /nfs/dbraw/zinc/92/50/16/377925016.db2.gz SJYADVKBHXEXSD-UHFFFAOYSA-N 0 0 292.163 3.124 10 30 CGEERN CCOc1c(C#N)cc(C(F)(F)F)cc1CC#N ZINC000575643809 377926433 /nfs/dbraw/zinc/92/64/33/377926433.db2.gz UYKSWONFJTWSLQ-UHFFFAOYSA-N 0 0 254.211 3.042 10 30 CGEERN N#CCc1cc(OC(F)F)c([N+](=O)[O-])c(C(F)F)c1 ZINC000575653154 377930732 /nfs/dbraw/zinc/93/07/32/377930732.db2.gz YJGZCBLMNDATNV-UHFFFAOYSA-N 0 0 278.161 3.200 10 30 CGEERN CCOc1ccc(Br)c(CC#N)c1OCC ZINC000575681343 377956071 /nfs/dbraw/zinc/95/60/71/377956071.db2.gz STTXLGUQKUDXBB-UHFFFAOYSA-N 0 0 284.153 3.313 10 30 CGEERN COc1c(CC#N)c(OC(F)F)ccc1C(F)(F)F ZINC000575664466 377939972 /nfs/dbraw/zinc/93/99/72/377939972.db2.gz GDUIPJRXBOZBTG-UHFFFAOYSA-N 0 0 281.180 3.381 10 30 CGEERN N#CCc1cc(C(F)(F)F)c(OC(F)F)cc1[N+](=O)[O-] ZINC000575666354 377943113 /nfs/dbraw/zinc/94/31/13/377943113.db2.gz KPFSMOQCEIJTKO-UHFFFAOYSA-N 0 0 296.151 3.281 10 30 CGEERN Cc1cc(Br)c(OC(F)F)cc1C#N ZINC000575683168 377956859 /nfs/dbraw/zinc/95/68/59/377956859.db2.gz LBPPIRFNYNBPFQ-UHFFFAOYSA-N 0 0 262.053 3.231 10 30 CGEERN CCOc1cc(C#N)cc(OC(F)(F)F)c1CC ZINC000575670945 377947172 /nfs/dbraw/zinc/94/71/72/377947172.db2.gz FDNRUBRVKJOUJY-UHFFFAOYSA-N 0 0 259.227 3.418 10 30 CGEERN CCOc1cc(OC(F)(F)F)c(CC)cc1C#N ZINC000575671569 377947549 /nfs/dbraw/zinc/94/75/49/377947549.db2.gz MJDNMKHRLPGKFV-UHFFFAOYSA-N 0 0 259.227 3.418 10 30 CGEERN Cc1cc(Br)c(C#N)c(OC(F)F)c1 ZINC000575683223 377957030 /nfs/dbraw/zinc/95/70/30/377957030.db2.gz MTGWFSJXGJKXPZ-UHFFFAOYSA-N 0 0 262.053 3.231 10 30 CGEERN COc1c(Cl)ccc(Br)c1CC#N ZINC000575673977 377949727 /nfs/dbraw/zinc/94/97/27/377949727.db2.gz KXWZKTBRGUDRGT-UHFFFAOYSA-N 0 0 260.518 3.177 10 30 CGEERN N#Cc1ccc(F)c(OC(F)F)c1Br ZINC000575679844 377953754 /nfs/dbraw/zinc/95/37/54/377953754.db2.gz CZJMUXMSAKQKTQ-UHFFFAOYSA-N 0 0 266.016 3.061 10 30 CGEERN COC(=O)Cc1c(C)ccc(C#N)c1SC(F)(F)F ZINC000575395792 377903812 /nfs/dbraw/zinc/90/38/12/377903812.db2.gz QYWUKJDGAYRUMD-UHFFFAOYSA-N 0 0 289.278 3.194 10 30 CGEERN COC(=O)Cc1cc(SC(F)(F)F)c(C#N)cc1C ZINC000575395633 377903930 /nfs/dbraw/zinc/90/39/30/377903930.db2.gz LNTNODXUXBBRRE-UHFFFAOYSA-N 0 0 289.278 3.194 10 30 CGEERN Nc1cc(F)cc(OC(F)(F)F)c1C(F)(F)F ZINC000575397338 377903998 /nfs/dbraw/zinc/90/39/98/377903998.db2.gz KYYJZEPNCGBGNN-UHFFFAOYSA-N 0 0 263.112 3.325 10 30 CGEERN Cc1cc(C#N)cc(Br)c1OC(F)F ZINC000575683281 377958390 /nfs/dbraw/zinc/95/83/90/377958390.db2.gz PCSJFSBAIZCTOF-UHFFFAOYSA-N 0 0 262.053 3.231 10 30 CGEERN COc1ccc(Br)c(CC#N)c1C(F)F ZINC000575685432 377960038 /nfs/dbraw/zinc/96/00/38/377960038.db2.gz LKHUCXCZIGQKBI-UHFFFAOYSA-N 0 0 276.080 3.461 10 30 CGEERN N#CCc1c(Br)c(C(F)F)ccc1[N+](=O)[O-] ZINC000575686903 377961907 /nfs/dbraw/zinc/96/19/07/377961907.db2.gz RZSGBBRJNHHHAZ-UHFFFAOYSA-N 0 0 291.051 3.361 10 30 CGEERN COc1cc(CC#N)c(Br)cc1C(F)F ZINC000575687684 377962044 /nfs/dbraw/zinc/96/20/44/377962044.db2.gz WAKMLOLOTCGFLC-UHFFFAOYSA-N 0 0 276.080 3.461 10 30 CGEERN N#Cc1c(Cl)ccc(I)c1Cl ZINC000575695894 377969191 /nfs/dbraw/zinc/96/91/91/377969191.db2.gz ZIJZNSCZIVWESW-UHFFFAOYSA-N 0 0 297.910 3.470 10 30 CGEERN CCc1cc(CC#N)cc(OC)c1OC(F)(F)F ZINC000575701950 377975009 /nfs/dbraw/zinc/97/50/09/377975009.db2.gz AKSPOWANMCNNNQ-UHFFFAOYSA-N 0 0 259.227 3.222 10 30 CGEERN CCc1c(OC(F)(F)F)ccc(CC#N)c1OC ZINC000575704136 377977233 /nfs/dbraw/zinc/97/72/33/377977233.db2.gz SJKZRSWIUIAXMJ-UHFFFAOYSA-N 0 0 259.227 3.222 10 30 CGEERN CCc1c(C)c(I)ccc1CC#N ZINC000575705682 377977720 /nfs/dbraw/zinc/97/77/20/377977720.db2.gz KAVADIITGJARNW-UHFFFAOYSA-N 0 0 285.128 3.228 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)Nc1cccc2c1CCCC2 ZINC000408165430 379997016 /nfs/dbraw/zinc/99/70/16/379997016.db2.gz MHOFVAOIXWLRIR-DZGCQCFKSA-N 0 0 283.375 3.379 10 30 CGEERN N#Cc1ccc(F)c(CN2CC[C@@H](O)c3ccccc3C2)c1 ZINC000367935185 382360164 /nfs/dbraw/zinc/36/01/64/382360164.db2.gz WBIQARDMKLCTBR-GOSISDBHSA-N 0 0 296.345 3.137 10 30 CGEERN O=C(Nc1nccn1-c1ccccc1)N1CC[C@H]2CCC[C@@H]21 ZINC000328713335 542444241 /nfs/dbraw/zinc/44/42/41/542444241.db2.gz BYDCYRCXOVPHAJ-HIFRSBDPSA-N 0 0 296.374 3.292 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1scnc1C1CC1 ZINC000328851511 542445419 /nfs/dbraw/zinc/44/54/19/542445419.db2.gz VDBVTVSLSAGREA-UWVGGRQHSA-N 0 0 261.350 3.017 10 30 CGEERN Cc1cnc([C@H](C)NC(=O)CSC[C@H]2CCCCO2)o1 ZINC000329464161 542446646 /nfs/dbraw/zinc/44/66/46/542446646.db2.gz UUWBFEZLJUGUAP-NWDGAFQWSA-N 0 0 298.408 3.303 10 30 CGEERN O=C(NCc1ccncc1)[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000329732848 542448836 /nfs/dbraw/zinc/44/88/36/542448836.db2.gz QMSQLVLEUJIRRL-MAUKXSAKSA-N 0 0 294.354 3.279 10 30 CGEERN C[C@H](OC1CCCCCC1)C(=O)N[C@@H]1CCCNC1=O ZINC000329953584 542449571 /nfs/dbraw/zinc/44/95/71/542449571.db2.gz NXDAFJCLLGSMEP-WCQYABFASA-N 0 0 282.384 3.190 10 30 CGEERN O=C(NC[C@@H]1CCCC[C@@H]1O)c1coc(C2CCCC2)n1 ZINC000329952981 542449603 /nfs/dbraw/zinc/44/96/03/542449603.db2.gz NOFHMNPWDKEGJF-JSGCOSHPSA-N 0 0 292.379 3.188 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)N1CCC=C(c2ccccc2)C1 ZINC000332834395 542450678 /nfs/dbraw/zinc/45/06/78/542450678.db2.gz CGEYGQZRXZOSRZ-WBVHZDCISA-N 0 0 295.386 3.178 10 30 CGEERN C[C@@H]1CC[C@H](NC(=O)C(C)(C)C#N)c2ccccc21 ZINC000125119321 392437932 /nfs/dbraw/zinc/43/79/32/392437932.db2.gz RYQKAIPPJUUVQU-RISCZKNCSA-N 0 0 256.349 3.291 10 30 CGEERN C[C@@H](C#N)CNC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000182345151 392744516 /nfs/dbraw/zinc/74/45/16/392744516.db2.gz XNVYSHWGTDMAJO-STQMWFEESA-N 0 0 281.359 3.360 10 30 CGEERN CC(C)Cc1ccc([C@H](C)NC(=O)NC[C@H](C)C#N)cc1 ZINC000182333297 392744735 /nfs/dbraw/zinc/74/47/35/392744735.db2.gz DVFJFVGMTKZPMR-KGLIPLIRSA-N 0 0 287.407 3.405 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000408330218 392971710 /nfs/dbraw/zinc/97/17/10/392971710.db2.gz LPKYQKYEIBKGJF-XGUBFFRZSA-N 0 0 260.381 3.011 10 30 CGEERN Cc1c(Cl)cccc1C#CC(=O)OC(C)(C)C ZINC000675079753 543313512 /nfs/dbraw/zinc/31/35/12/543313512.db2.gz XFARAIXJMJPLIV-UHFFFAOYSA-N 0 0 250.725 3.342 10 30 CGEERN CCc1ccsc1CNc1nccc(C#N)c1[N+](=O)[O-] ZINC000167536807 165498218 /nfs/dbraw/zinc/49/82/18/165498218.db2.gz XRASENQXWCVVFW-UHFFFAOYSA-N 0 0 288.332 3.097 10 30 CGEERN Cc1c(C#N)cccc1NC(=O)N[C@H](C)CC1CC1 ZINC000178551923 165634581 /nfs/dbraw/zinc/63/45/81/165634581.db2.gz LMZHFTGXHMVMSF-SNVBAGLBSA-N 0 0 257.337 3.177 10 30 CGEERN CC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000005788324 170140377 /nfs/dbraw/zinc/14/03/77/170140377.db2.gz BHWJTAQOMSTWOS-GZTJUZNOSA-N 0 0 280.287 3.303 10 30 CGEERN Fc1c(F)c(F)c(N=NCc2cccnc2)c(F)c1F ZINC000006472675 170203834 /nfs/dbraw/zinc/20/38/34/170203834.db2.gz MSVLZDYFIDJWJB-PTXOJBNSSA-N 0 0 287.191 3.223 10 30 CGEERN N#Cc1ccc(C(=O)CSc2nc3ccccc3[nH]2)cc1 ZINC000006537960 170211703 /nfs/dbraw/zinc/21/17/03/170211703.db2.gz HQGAHBNKMVSXAT-UHFFFAOYSA-N 0 0 293.351 3.410 10 30 CGEERN CC(C)c1nc(C#N)c(N=NCc2cccs2)o1 ZINC000006633921 170220288 /nfs/dbraw/zinc/22/02/88/170220288.db2.gz CVKGOZXECJRQGQ-VGOFMYFVSA-N 0 0 260.322 3.177 10 30 CGEERN Cc1ccsc1CN=Nc1oc(C(C)C)nc1C#N ZINC000006861317 170250515 /nfs/dbraw/zinc/25/05/15/170250515.db2.gz CBGGQQGLIAWYDX-VIZOYTHASA-N 0 0 274.349 3.486 10 30 CGEERN Cc1ccc([S@](=O)/N=C/c2ccc(F)cc2)cc1 ZINC000008550561 170339921 /nfs/dbraw/zinc/33/99/21/170339921.db2.gz NTBRTDBJPTUDJV-GANRHZMWSA-N 0 0 261.321 3.276 10 30 CGEERN O=C(Nc1cccc2ccccc21)N1CCC(=NO)CC1 ZINC000019472451 170805574 /nfs/dbraw/zinc/80/55/74/170805574.db2.gz UZIBGZACDVJFSG-UHFFFAOYSA-N 0 0 283.331 3.298 10 30 CGEERN Cc1ccc(Sc2ccccc2/C(N)=N/O)cc1 ZINC000020076957 170984731 /nfs/dbraw/zinc/98/47/31/170984731.db2.gz CDURKCLHXDOFEX-UHFFFAOYSA-N 0 0 258.346 3.241 10 30 CGEERN N#CCCCNc1ccc(I)cc1 ZINC000020359135 171158024 /nfs/dbraw/zinc/15/80/24/171158024.db2.gz AZVGYXCTDVJSCM-UHFFFAOYSA-N 0 0 286.116 3.007 10 30 CGEERN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(C#N)cc1 ZINC000020361988 171160642 /nfs/dbraw/zinc/16/06/42/171160642.db2.gz HRMIFDUXJIWAPS-UHFFFAOYSA-N 0 0 281.271 3.027 10 30 CGEERN N#Cc1c(N)nc(-c2ccc(F)cc2)cc1-c1ccncc1 ZINC000020479543 171221757 /nfs/dbraw/zinc/22/17/57/171221757.db2.gz RGSZECFOQZMOIN-UHFFFAOYSA-N 0 0 290.301 3.404 10 30 CGEERN C=CCn1c(Cl)nc2sc3c(c2c1=O)CCCC3 ZINC000026466930 171486202 /nfs/dbraw/zinc/48/62/02/171486202.db2.gz IGLUFQFUIMFNQC-UHFFFAOYSA-N 0 0 280.780 3.176 10 30 CGEERN COc1ccc(/C=C2\C#CCCCCC#C[C@H]2O)cc1 ZINC000027860407 171534398 /nfs/dbraw/zinc/53/43/98/171534398.db2.gz LMAYSGPUCDCGCU-QRURKXGXSA-N 0 0 266.340 3.020 10 30 CGEERN CCOc1ccccc1NC1=N[C@H](CC)CS1 ZINC000035294450 172106199 /nfs/dbraw/zinc/10/61/99/172106199.db2.gz QGPRDBWVHPJJIB-SNVBAGLBSA-N 0 0 250.367 3.188 10 30 CGEERN CC1(C)CSC(Nc2ccc(C#N)c(Cl)c2)=N1 ZINC000035295309 172107290 /nfs/dbraw/zinc/10/72/90/172107290.db2.gz FSZHELUDEZHUNH-UHFFFAOYSA-N 0 0 265.769 3.314 10 30 CGEERN COc1cccc(Sc2ccc(C#N)cc2N)c1 ZINC000035675117 172345021 /nfs/dbraw/zinc/34/50/21/172345021.db2.gz ZRGHUIFWWCHITO-UHFFFAOYSA-N 0 0 256.330 3.300 10 30 CGEERN COC(=O)[C@H](CC=O)c1ccc(OCc2ccccc2)cc1 ZINC000035929150 172424980 /nfs/dbraw/zinc/42/49/80/172424980.db2.gz ANNFUQJVOWDOJC-QGZVFWFLSA-N 0 0 298.338 3.111 10 30 CGEERN COc1ccc(C)cc1[C@@H](C#N)C(=O)c1ccoc1 ZINC000037345926 173143284 /nfs/dbraw/zinc/14/32/84/173143284.db2.gz MMQZFQCUNHOSMW-CYBMUJFWSA-N 0 0 255.273 3.087 10 30 CGEERN CC(C)(C)CC(=O)[C@H](C#N)c1ccc2c(c1)OCO2 ZINC000037347513 173144116 /nfs/dbraw/zinc/14/41/16/173144116.db2.gz SOYRNAYSQKVUCS-LLVKDONJSA-N 0 0 259.305 3.028 10 30 CGEERN N#Cc1cc(N)cnc1Nc1ccc(F)cc1Cl ZINC000037759025 173684938 /nfs/dbraw/zinc/68/49/38/173684938.db2.gz SBIKDHMFZSNEBK-UHFFFAOYSA-N 0 0 262.675 3.072 10 30 CGEERN COc1ccc(N[C@@H](C#N)c2ccc(O)cc2)cc1 ZINC000037936554 173876927 /nfs/dbraw/zinc/87/69/27/173876927.db2.gz GWRDQYBMQKIUDB-HNNXBMFYSA-N 0 0 254.289 3.078 10 30 CGEERN N#C[C@H](c1ccc(F)cc1F)N1CCCCCC1 ZINC000038086168 174096689 /nfs/dbraw/zinc/09/66/89/174096689.db2.gz AXMRNJAGBQUJTH-CQSZACIVSA-N 0 0 250.292 3.405 10 30 CGEERN N#CC1(NC(=O)c2ccsc2)CCCCCCC1 ZINC000040222121 174207574 /nfs/dbraw/zinc/20/75/74/174207574.db2.gz YUXSCQGEWNFLOV-UHFFFAOYSA-N 0 0 262.378 3.485 10 30 CGEERN C=CCNc1ncnc(Oc2ccc(C)cc2)c1[N+](=O)[O-] ZINC000040598912 174349686 /nfs/dbraw/zinc/34/96/86/174349686.db2.gz VPNPKUSRLWIJDS-UHFFFAOYSA-N 0 0 286.291 3.083 10 30 CGEERN C=CCNc1ncnc(Nc2ccc(C)cc2C)c1N ZINC000040708907 174380173 /nfs/dbraw/zinc/38/01/73/174380173.db2.gz QQXQOJIMGLHDLC-UHFFFAOYSA-N 0 0 269.352 3.017 10 30 CGEERN C=CCNc1ncnc(Sc2ccc(C)cc2)c1N ZINC000040709015 174380699 /nfs/dbraw/zinc/38/06/99/174380699.db2.gz KFFAIKPKBIVYTR-UHFFFAOYSA-N 0 0 272.377 3.116 10 30 CGEERN CCN(Cc1c(N)cccc1Br)C[C@H](C)C#N ZINC000042446766 174740756 /nfs/dbraw/zinc/74/07/56/174740756.db2.gz UNBAOTXJDYIBBJ-SNVBAGLBSA-N 0 0 296.212 3.013 10 30 CGEERN Cc1nc(C)c([C@H](C)NC(=O)C2(C#N)CCCC2)s1 ZINC000044352568 175166613 /nfs/dbraw/zinc/16/66/13/175166613.db2.gz IGEFNCMJIZHWFH-JTQLQIEISA-N 0 0 277.393 3.021 10 30 CGEERN CCC[C@H](C#N)C(=O)Nc1cccc(Br)c1 ZINC000044810948 175258093 /nfs/dbraw/zinc/25/80/93/175258093.db2.gz FIRWYSHRQVCYDU-SECBINFHSA-N 0 0 281.153 3.327 10 30 CGEERN CC(C)[C@@H](C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000044825649 175259562 /nfs/dbraw/zinc/25/95/62/175259562.db2.gz YDQNLRBCFWUVAT-ZWNOBZJWSA-N 0 0 264.756 3.313 10 30 CGEERN Cc1nnc(Oc2cc(F)ccc2F)c(C#N)c1C ZINC000071167754 176049576 /nfs/dbraw/zinc/04/95/76/176049576.db2.gz CWYVNGUTDQATJT-UHFFFAOYSA-N 0 0 261.231 3.036 10 30 CGEERN Cc1cnc(CNC(=O)[C@@H]2C[C@@]23CCOc2ccccc23)o1 ZINC000330114035 228042486 /nfs/dbraw/zinc/04/24/86/228042486.db2.gz SOOGWDGDNQWQCM-SUMWQHHRSA-N 0 0 298.342 3.180 10 30 CGEERN CC1(C)CCC[C@H](CC(=O)N[C@@H]2CCC[C@H]2C#N)C1 ZINC000407995387 260159637 /nfs/dbraw/zinc/15/96/37/260159637.db2.gz IZSUFPGNVLSWLV-HZSPNIEDSA-N 0 0 262.397 3.401 10 30 CGEERN CC#CCN[C@H](C)c1ccccc1Br ZINC000088162653 260278667 /nfs/dbraw/zinc/27/86/67/260278667.db2.gz QKPAONOKZIUAEM-SNVBAGLBSA-N 0 0 252.155 3.123 10 30 CGEERN C=CCCC[C@H](C)Nc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000302738937 261355117 /nfs/dbraw/zinc/35/51/17/261355117.db2.gz QHEHYLZFLVZJQN-JTQLQIEISA-N 0 0 260.297 3.018 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NCc1cc(F)cc(Cl)c1 ZINC000160933917 262305157 /nfs/dbraw/zinc/30/51/57/262305157.db2.gz FIFFMLHYIUVZLA-GXFFZTMASA-N 0 0 252.720 3.261 10 30 CGEERN N#CC1(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)CCSCC1 ZINC000162239550 262326155 /nfs/dbraw/zinc/32/61/55/262326155.db2.gz OHSQLOVHERMBBI-KGLIPLIRSA-N 0 0 292.448 3.108 10 30 CGEERN CC(C)(C)c1nc(CN[C@@H]2CCC[C@H]2C#N)cs1 ZINC000164288838 263270670 /nfs/dbraw/zinc/27/06/70/263270670.db2.gz UPRNPNHRWJRSFL-CMPLNLGQSA-N 0 0 263.410 3.222 10 30 CGEERN CC1(C)CC[C@H](CNC(=O)C[C@H]2CCCCC(=O)N2)O1 ZINC000328647826 263832264 /nfs/dbraw/zinc/83/22/64/263832264.db2.gz HZQGVWNYCKSCNP-VXGBXAGGSA-N 0 0 282.384 3.190 10 30 CGEERN Cc1cc2c[nH]nc2c(C(=O)N[C@H](C)C[C@@H]2CCCO2)c1 ZINC000328718250 263839112 /nfs/dbraw/zinc/83/91/12/263839112.db2.gz UYNVASHNHLRQRG-YPMHNXCESA-N 0 0 287.363 3.134 10 30 CGEERN C[C@H](NC(=O)C[C@H]1CCCCC(=O)N1)C1CCOCC1 ZINC000328840163 263877747 /nfs/dbraw/zinc/87/77/47/263877747.db2.gz ULENHHHMQDGDHD-WCQYABFASA-N 0 0 282.384 3.047 10 30 CGEERN C=C[C@@H](CC(=O)N1CCS[C@@H](C)C1)c1ccccc1 ZINC000129686366 264328353 /nfs/dbraw/zinc/32/83/53/264328353.db2.gz IKBHQIRAWAPAKF-KBPBESRZSA-N 0 0 275.417 3.310 10 30 CGEERN CC(C)CC1(C(=O)N[C@H]2CCC[C@@H]2C#N)CCCC1 ZINC000094817891 265258364 /nfs/dbraw/zinc/25/83/64/265258364.db2.gz BVGOMWZWPRYKKH-KGLIPLIRSA-N 0 0 262.397 3.401 10 30 CGEERN C=CCN(C)C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000119565826 267344849 /nfs/dbraw/zinc/34/48/49/267344849.db2.gz SFQFFSKRSOJYNY-AWEZNQCLSA-N 0 0 262.328 3.031 10 30 CGEERN N#Cc1cc(F)ccc1N1CC[C@H](O)c2ccccc2C1 ZINC000368218788 274919910 /nfs/dbraw/zinc/91/99/10/274919910.db2.gz IYYXONBXURRGHT-KRWDZBQOSA-N 0 0 282.318 3.141 10 30 CGEERN N#Cc1cc(F)ccc1-c1cc([N+](=O)[O-])ccc1F ZINC000034417813 279504270 /nfs/dbraw/zinc/50/42/70/279504270.db2.gz ZXANZZMXMLJAGF-UHFFFAOYSA-N 0 0 260.199 3.412 10 30 CGEERN Cc1cc2c(cc1NC(=O)N1CC[C@@H]3CCC[C@H]31)OCO2 ZINC000330231734 280679962 /nfs/dbraw/zinc/67/99/62/280679962.db2.gz FCUUJVGOWVADHJ-WCQYABFASA-N 0 0 288.347 3.144 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccc2sccc2c1 ZINC000336570101 327876246 /nfs/dbraw/zinc/87/62/46/327876246.db2.gz GPYMELBZKNSZFM-STQMWFEESA-N 0 0 270.357 3.323 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NCc1cccc(Br)c1F ZINC000394748631 327959026 /nfs/dbraw/zinc/95/90/26/327959026.db2.gz ZLEDPRFNOBWQLA-CABZTGNLSA-N 0 0 297.171 3.370 10 30 CGEERN CC1CC(C(=O)Nc2ccc(Br)c(C#N)c2)C1 ZINC000564638657 322036883 /nfs/dbraw/zinc/03/68/83/322036883.db2.gz UYSBCKWHPHMEGI-UHFFFAOYSA-N 0 0 293.164 3.305 10 30 CGEERN COC[C@H](C)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000108981793 327257351 /nfs/dbraw/zinc/25/73/51/327257351.db2.gz MSSDZIJKYANCLD-NWDGAFQWSA-N 0 0 292.404 3.302 10 30 CGEERN C[C@@H]1C[C@H](C(=O)NCCCCC#N)CC(C)(C)C1 ZINC000180053347 329214796 /nfs/dbraw/zinc/21/47/96/329214796.db2.gz KMYDILGGFBUYKB-OLZOCXBDSA-N 0 0 250.386 3.259 10 30 CGEERN CC(C)[C@](C)(C#N)NC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000247296604 329878769 /nfs/dbraw/zinc/87/87/69/329878769.db2.gz GSEALTQKEJUBMR-DZKIICNBSA-N 0 0 262.397 3.257 10 30 CGEERN CC(C)(C)c1ccccc1C(=O)N[C@H]1CCC[C@H]1C#N ZINC000167045896 331307858 /nfs/dbraw/zinc/30/78/58/331307858.db2.gz UKRWSNJJVILQPR-WFASDCNBSA-N 0 0 270.376 3.406 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NCc1cc(F)cc(Br)c1 ZINC000312286633 333079662 /nfs/dbraw/zinc/07/96/62/333079662.db2.gz RQEXPQVDKJXJEQ-MFKMUULPSA-N 0 0 297.171 3.370 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000227871037 333289557 /nfs/dbraw/zinc/28/95/57/333289557.db2.gz QNIKYAQKCOCMHX-GLQYFDAESA-N 0 0 260.768 3.089 10 30 CGEERN C#CCN(C(=O)[C@@H](C)c1ccc(OC)cc1)C1CCCC1 ZINC000163899942 334873951 /nfs/dbraw/zinc/87/39/51/334873951.db2.gz RUDVNTVNUCMVNZ-AWEZNQCLSA-N 0 0 285.387 3.203 10 30 CGEERN CCN[C@H](C#N)CCOc1cc(C(C)C)ccc1C ZINC000062448333 520160537 /nfs/dbraw/zinc/16/05/37/520160537.db2.gz HBEZYHOQSJOOKP-HNNXBMFYSA-N 0 0 260.381 3.389 10 30 CGEERN CCN[C@H](C#N)CCOc1ccc(C(C)C)c(C)c1 ZINC000062446039 520161907 /nfs/dbraw/zinc/16/19/07/520161907.db2.gz YWRGSGROEMYUOG-AWEZNQCLSA-N 0 0 260.381 3.389 10 30 CGEERN CCNc1nc(-c2ccc(OC)cc2)ccc1C#N ZINC000050871520 520351302 /nfs/dbraw/zinc/35/13/02/520351302.db2.gz PNNCMIFHLGIMJP-UHFFFAOYSA-N 0 0 253.305 3.061 10 30 CGEERN CC[C@@H](C)N(CCOC)c1ccc(C#N)c(Cl)c1 ZINC000061851119 522094109 /nfs/dbraw/zinc/09/41/09/522094109.db2.gz CWUDPBRBEMMGGA-LLVKDONJSA-N 0 0 266.772 3.463 10 30 CGEERN CN[C@@](C#N)(CSC1CCCC1)c1ccccc1 ZINC000062830822 522403075 /nfs/dbraw/zinc/40/30/75/522403075.db2.gz AVFCVOIUAXALDW-HNNXBMFYSA-N 0 0 260.406 3.301 10 30 CGEERN Cc1nnc(Sc2nc3c(cc2C#N)CCCC3)s1 ZINC000050499198 526392611 /nfs/dbraw/zinc/39/26/11/526392611.db2.gz SPODCQRIKVQCNF-UHFFFAOYSA-N 0 0 288.401 3.143 10 30 CGEERN CC(C)(CNC(=O)N[C@H]1CCC[C@@H]1C#N)C1=CCCC1 ZINC000333651223 527145788 /nfs/dbraw/zinc/14/57/88/527145788.db2.gz UVTVXLGJROKRFQ-OCCSQVGLSA-N 0 0 275.396 3.114 10 30 CGEERN C/C=C1/CN2[C@H]3C[C@@H]1[C@@H](C=O)[C@@H]2Cc1c2ccccc2[nH]c13 ZINC000005037485 560200486 /nfs/dbraw/zinc/20/04/86/560200486.db2.gz MHASSCPGKAMILD-VICVVEARSA-N 0 0 292.382 3.231 10 30 in-vitro CGEERN N#C[C@H](COC(=O)[C@@H]1C[C@H]1C1CC1)Cc1cccs1 ZINC000246447300 617717444 /nfs/dbraw/zinc/71/74/44/617717444.db2.gz PAKMQXBRCUXISZ-DDTOSNHZSA-N 0 0 275.373 3.020 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1cc2ccccc2c(Cl)n1 ZINC000061890293 623186013 /nfs/dbraw/zinc/18/60/13/623186013.db2.gz JJJSXFNGCUJBKK-AAEUAGOBSA-N 0 0 299.761 3.310 10 30 CGEERN C=CCCC(=O)Oc1ccc(C(=O)OC(C)C)cc1 ZINC000102228905 634637949 /nfs/dbraw/zinc/63/79/49/634637949.db2.gz QGRKUUGIQRZEMM-UHFFFAOYSA-N 0 0 262.305 3.123 10 30 CGEERN CCCCCCCCC(=O)N[C@@H]1CCCC[C@@H]1O ZINC000107059123 636424852 /nfs/dbraw/zinc/42/48/52/636424852.db2.gz RZWKOEYVMPVYHG-KGLIPLIRSA-N 0 0 255.402 3.157 10 30 CGEERN CCCCCCCCC(=O)N1[C@H](C)COC[C@@H]1C ZINC000131330910 636628207 /nfs/dbraw/zinc/62/82/07/636628207.db2.gz DXBDNISZXAOLMB-OKILXGFUSA-N 0 0 255.402 3.373 10 30 CGEERN C[C@@H](O)c1cccc(OCc2ccc(F)cc2C#N)c1 ZINC000085267035 636771679 /nfs/dbraw/zinc/77/16/79/636771679.db2.gz JOCXFNGPLFQDMT-LLVKDONJSA-N 0 0 271.291 3.330 10 30 CGEERN CCCCCCCC(=O)N[C@@H]1CCCCC[C@H]1O ZINC000135929407 637240201 /nfs/dbraw/zinc/24/02/01/637240201.db2.gz IXUDDPZGIBQTKC-ZIAGYGMSSA-N 0 0 255.402 3.157 10 30 CGEERN CCCCCCCCCN1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000192045614 640346483 /nfs/dbraw/zinc/34/64/83/640346483.db2.gz IHIBEIJSKLMCNK-OAHLLOKOSA-N 0 0 294.443 3.237 10 30 CGEERN Cc1cc([N+](=O)[O-])ccc1/C=C1/Cc2cc(O)ccc2C1=O ZINC000588534956 799707081 /nfs/dbraw/zinc/70/70/81/799707081.db2.gz CQPCBVHCPJGSKE-QPEQYQDCSA-N 0 0 295.294 3.431 10 30 CGEERN O=C(/C=C\c1cocn1)c1ccc(OC(F)F)cc1 ZINC000588561540 799711167 /nfs/dbraw/zinc/71/11/67/799711167.db2.gz HMEBJVBCGRXIEZ-UTCJRWHESA-N 0 0 265.215 3.172 10 30 CGEERN CC[C@H](CC#N)OC(=O)/C=C(/C)c1cccc(OC)c1 ZINC000588557949 799711412 /nfs/dbraw/zinc/71/14/12/799711412.db2.gz LJUFSMJOPFPXDR-GAJOTYCWSA-N 0 0 273.332 3.334 10 30 CGEERN COc1cc(C(=O)/C=C\c2cocn2)ccc1SC ZINC000588578979 799716743 /nfs/dbraw/zinc/71/67/43/799716743.db2.gz TVUHFKOKHABIIT-PLNGDYQASA-N 0 0 275.329 3.301 10 30 CGEERN O=C1c2cccc(Cl)c2OCC/C1=C/c1cocn1 ZINC000588578940 799717093 /nfs/dbraw/zinc/71/70/93/799717093.db2.gz ITUJYELWZZTMTM-TWGQIWQCSA-N 0 0 275.691 3.377 10 30 CGEERN O=C1c2cccc(Br)c2C/C1=C/c1cocn1 ZINC000588579749 799717166 /nfs/dbraw/zinc/71/71/66/799717166.db2.gz MBEPOHFKWOEZPI-YWEYNIOJSA-N 0 0 290.116 3.260 10 30 CGEERN O=C(/C=C\c1cocn1)c1ccccc1OC(F)F ZINC000588579290 799717351 /nfs/dbraw/zinc/71/73/51/799717351.db2.gz LCCBDLNKYBCOQY-WAYWQWQTSA-N 0 0 265.215 3.172 10 30 CGEERN C=CCC1([NH2+]Cc2cc(C(=O)[O-])oc2C)CCCC1 ZINC000690755692 976330940 /nfs/dbraw/zinc/33/09/40/976330940.db2.gz YZRLNBHBCFYFLQ-UHFFFAOYSA-N 0 0 263.337 3.265 10 30 CGEERN CC[C@H](NC(=O)C[C@@H]1CCCCNC1=O)[C@H]1CCCO1 ZINC000329570601 529579519 /nfs/dbraw/zinc/57/95/19/529579519.db2.gz UOFRCJVFVQYFFD-RWMBFGLXSA-N 0 0 282.384 3.047 10 30 CGEERN C[C@](C#N)(CCN1CCOCC1)c1cccc2ccccc21 ZINC000031622923 344927667 /nfs/dbraw/zinc/92/76/67/344927667.db2.gz GAHYKZLSBRYVAW-LJQANCHMSA-N 0 0 294.398 3.343 10 30 CGEERN CCc1cccc(CC)c1NC(=O)/N=C1/CCCN1C ZINC000033956576 344937415 /nfs/dbraw/zinc/93/74/15/344937415.db2.gz MCKILCYWBREFSV-VKAVYKQESA-N 0 0 273.380 3.467 10 30 CGEERN C[C@H](CC#N)Nc1cccc(I)c1 ZINC000037871348 344953208 /nfs/dbraw/zinc/95/32/08/344953208.db2.gz LPPYHKPVZPYORU-MRVPVSSYSA-N 0 0 286.116 3.005 10 30 CGEERN COC(=O)CCC/C=C\C/C=C\C/C=C\CC=O ZINC000034398035 344939029 /nfs/dbraw/zinc/93/90/29/344939029.db2.gz WXEIGUDMESHTJO-HGUHJZMRSA-N 0 0 250.338 3.368 10 30 CGEERN C=CC[C@@](CCCC)(NC(=O)OC(C)(C)C)C(=O)OC ZINC000036407276 344943793 /nfs/dbraw/zinc/94/37/93/344943793.db2.gz WOAONBJXTICWBX-HNNXBMFYSA-N 0 0 285.384 3.189 10 30 CGEERN CC[C@@H](C#N)Oc1ccc(C)cc1Br ZINC000043542664 345000978 /nfs/dbraw/zinc/00/09/78/345000978.db2.gz VJGMOVVJDFMOPR-VIFPVBQESA-N 0 0 254.127 3.439 10 30 CGEERN C[C@@]1(c2ccc(Br)s2)CC(=O)C=CO1 ZINC000069852335 345386200 /nfs/dbraw/zinc/38/62/00/345386200.db2.gz YVULGZKQVUANIC-JTQLQIEISA-N 0 0 273.151 3.229 10 30 CGEERN Cc1cc(N2CCC(C(C)C)CC2)c(C#N)c(C)n1 ZINC000227593945 136478674 /nfs/dbraw/zinc/47/86/74/136478674.db2.gz PMZPTFBZNSEZHL-UHFFFAOYSA-N 0 0 257.381 3.443 10 30 CGEERN CC(C)(C#N)[C@@H](O)c1ccc(Br)cc1 ZINC000085884294 345748227 /nfs/dbraw/zinc/74/82/27/345748227.db2.gz WSBOOEVBLLCLRW-JTQLQIEISA-N 0 0 254.127 3.032 10 30 CGEERN CCCN(c1ccc(C#N)c([N+](=O)[O-])c1)[C@H](C)CC ZINC000090448182 345788061 /nfs/dbraw/zinc/78/80/61/345788061.db2.gz YPVIQRWDRCTFJB-LLVKDONJSA-N 0 0 261.325 3.481 10 30 CGEERN N#C[C@@H]1CCCC[C@H]1NCc1cc(F)ccc1F ZINC000111405612 345949384 /nfs/dbraw/zinc/94/93/84/345949384.db2.gz VSOVIUBCUYJXSF-IINYFYTJSA-N 0 0 250.292 3.137 10 30 CGEERN N#Cc1ncccc1CC(c1cccnc1)c1cccnc1 ZINC000114775302 345966782 /nfs/dbraw/zinc/96/67/82/345966782.db2.gz IYGKCSREEBZYEE-UHFFFAOYSA-N 0 0 286.338 3.118 10 30 CGEERN Cc1ccccc1[C@H](C)NC(=O)C1(C#N)CC(C)C1 ZINC000125731494 346018338 /nfs/dbraw/zinc/01/83/38/346018338.db2.gz IIRPVURNMCYPFK-ULKWEWGCSA-N 0 0 256.349 3.112 10 30 CGEERN CCC#CCOc1ccc(SCC(=O)OCC)cc1 ZINC000136231431 346090266 /nfs/dbraw/zinc/09/02/66/346090266.db2.gz HEVBTJQZBCJRMW-UHFFFAOYSA-N 0 0 278.373 3.134 10 30 CGEERN COc1ccc2c(c1)[C@H](C#N)Cc1ccccc1C2=O ZINC000136801495 346092332 /nfs/dbraw/zinc/09/23/32/346092332.db2.gz REBRRFKTKQWCJA-LBPRGKRZSA-N 0 0 263.296 3.089 10 30 CGEERN C#CCC(=O)c1cc(Br)ccc1Cl ZINC000167695739 346188700 /nfs/dbraw/zinc/18/87/00/346188700.db2.gz YTGXMZGZUGKOJX-UHFFFAOYSA-N 0 0 257.514 3.309 10 30 CGEERN COc1ccc2c(c1)oc1c(CC#N)cccc1c2=O ZINC000214655532 346288197 /nfs/dbraw/zinc/28/81/97/346288197.db2.gz FPPGPVKRFSZNOU-UHFFFAOYSA-N 0 0 265.268 3.021 10 30 CGEERN C=C(C)C(=O)c1cccc(C)c1I ZINC000232579856 346327266 /nfs/dbraw/zinc/32/72/66/346327266.db2.gz YXLQKSFQKSPLIH-UHFFFAOYSA-N 0 0 286.112 3.358 10 30 CGEERN N#CC1([C@@H](O)c2sccc2Br)CCC1 ZINC000228024137 346312699 /nfs/dbraw/zinc/31/26/99/346312699.db2.gz OWHDTUOPQCJESX-VIFPVBQESA-N 0 0 272.167 3.238 10 30 CGEERN C#CCC[C@H](O)c1ccc(F)cc1Br ZINC000228648451 346315123 /nfs/dbraw/zinc/31/51/23/346315123.db2.gz LGWHUDPNDICCJU-NSHDSACASA-N 0 0 257.102 3.035 10 30 CGEERN O=C1C=C(c2ccccc2)[S@@](=O)c2ccccc21 ZINC000253641140 346394962 /nfs/dbraw/zinc/39/49/62/346394962.db2.gz QGMPXYBAXDVOTR-SFHVURJKSA-N 0 0 254.310 3.032 10 30 CGEERN N#Cc1cc(Br)c(F)c(F)c1Br ZINC000306911384 346458884 /nfs/dbraw/zinc/45/88/84/346458884.db2.gz KSGNQOQPCBKTEK-UHFFFAOYSA-N 0 0 296.896 3.361 10 30 CGEERN O=C1C=CO[C@H](c2cscc2Br)C1 ZINC000307551371 346463628 /nfs/dbraw/zinc/46/36/28/346463628.db2.gz SFJCRJZHIGSINH-VIFPVBQESA-N 0 0 259.124 3.055 10 30 CGEERN CCc1ccc([C@@H](C)Nc2ncncc2C#N)cc1 ZINC000311428382 346473085 /nfs/dbraw/zinc/47/30/85/346473085.db2.gz QGMMTTQWSKFZAW-LLVKDONJSA-N 0 0 252.321 3.084 10 30 CGEERN COc1cccc(/C=N/c2cccc([N+](=O)[O-])c2)c1 ZINC000100042236 185702874 /nfs/dbraw/zinc/70/28/74/185702874.db2.gz HBGRHEBHLMZEQU-XNTDXEJSSA-N 0 0 256.261 3.354 10 30 CGEERN N#Cc1cc2cccc(I)c2s1 ZINC000514261051 346635808 /nfs/dbraw/zinc/63/58/08/346635808.db2.gz OXAQPTXKWUTVCU-UHFFFAOYSA-N 0 0 285.109 3.378 10 30 CGEERN N#CCc1cc(C(F)(F)F)cc(C(F)(F)F)n1 ZINC000514262690 346636433 /nfs/dbraw/zinc/63/64/33/346636433.db2.gz YEPCJTONJPWFJX-UHFFFAOYSA-N 0 0 254.133 3.185 10 30 CGEERN C=CCc1cccc(CC=C)c1O[C@H](C)C(=O)OCC ZINC000584643544 346703400 /nfs/dbraw/zinc/70/34/00/346703400.db2.gz HSFNBZOCOXRXKJ-CYBMUJFWSA-N 0 0 274.360 3.474 10 30 CGEERN N#Cc1cc2cc(C(N)=O)[nH]c2c(-c2ccc(F)cc2F)c1 ZINC000584618665 346694679 /nfs/dbraw/zinc/69/46/79/346694679.db2.gz LKSCAZPTNOVWRC-UHFFFAOYSA-N 0 0 297.264 3.084 10 30 CGEERN CS(=O)(=O)O[C@@H]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000584631465 346698998 /nfs/dbraw/zinc/69/89/98/346698998.db2.gz TURZFEFXOVBUHY-CYBMUJFWSA-N 0 0 286.780 3.252 10 30 CGEERN C=C(Br)[C@H]1CN=C(c2cccc(C)c2)O1 ZINC000584637014 346700717 /nfs/dbraw/zinc/70/07/17/346700717.db2.gz GHEOYHDNUTWPID-LLVKDONJSA-N 0 0 266.138 3.049 10 30 CGEERN N#C[C@H](c1cscn1)[C@H](CCO)c1c(F)cccc1F ZINC000584636998 346700790 /nfs/dbraw/zinc/70/07/90/346700790.db2.gz CUYXRTVSQQHSLG-UWVGGRQHSA-N 0 0 294.326 3.195 10 30 CGEERN N#C[C@@H](c1ccccc1)[C@H](CCO)c1c(F)cncc1F ZINC000584636846 346700949 /nfs/dbraw/zinc/70/09/49/346700949.db2.gz HFYNEXTVTZWHJS-STQMWFEESA-N 0 0 288.297 3.133 10 30 CGEERN N#C[C@H](c1ccncc1)[C@@H](CCO)c1cc(F)ccc1F ZINC000584636896 346701004 /nfs/dbraw/zinc/70/10/04/346701004.db2.gz YBDLKJDZIHNUQF-DZGCQCFKSA-N 0 0 288.297 3.133 10 30 CGEERN CC(C)c1nc(CN[C@H]2CCCC[C@H]2C#N)cs1 ZINC000595691992 347339081 /nfs/dbraw/zinc/33/90/81/347339081.db2.gz KYAOUAGHAVLQRN-AAEUAGOBSA-N 0 0 263.410 3.438 10 30 CGEERN CC(=O)N1CCc2ccccc2[C@H]1c1ccccc1C#N ZINC000616681192 348865723 /nfs/dbraw/zinc/86/57/23/348865723.db2.gz VKPSPMSONAKHFB-SFHVURJKSA-N 0 0 276.339 3.052 10 30 CGEERN CC(=O)N1c2ccccc2NC[C@H]1c1ccccc1C#N ZINC000616683714 348866431 /nfs/dbraw/zinc/86/64/31/348866431.db2.gz ISRZHECKASTLHB-KRWDZBQOSA-N 0 0 277.327 3.078 10 30 CGEERN COC(=O)N1C[C@@H](c2cccc(C#N)c2)Nc2ccccc21 ZINC000616686494 348868078 /nfs/dbraw/zinc/86/80/78/348868078.db2.gz NLKABSGVVQXIJU-HNNXBMFYSA-N 0 0 293.326 3.298 10 30 CGEERN CN(C)c1nnc(Sc2ccc(Cl)cc2C#N)s1 ZINC000104313035 185963597 /nfs/dbraw/zinc/96/35/97/185963597.db2.gz JTNQMBUIWOTQSD-UHFFFAOYSA-N 0 0 296.808 3.280 10 30 CGEERN N#Cc1nc(N2CCC[C@@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000302717541 303215112 /nfs/dbraw/zinc/21/51/12/303215112.db2.gz KAFQLIGHJOKEKO-AAEUAGOBSA-N 0 0 286.335 3.020 10 30 CGEERN C=C(C)CNC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000156877100 188285578 /nfs/dbraw/zinc/28/55/78/188285578.db2.gz KUHXEXMVMCDMLU-GFCCVEGCSA-N 0 0 286.297 3.035 10 30 CGEERN C[C@H]1CN(C(=O)Nc2ccc(C#N)c(Cl)c2)CCS1 ZINC000171360331 188731565 /nfs/dbraw/zinc/73/15/65/188731565.db2.gz ZNUPIVAZUIYTNS-VIFPVBQESA-N 0 0 295.795 3.181 10 30 CGEERN N#Cc1cc(F)ccc1N[C@H]1COc2ccccc21 ZINC000070536339 283100929 /nfs/dbraw/zinc/10/09/29/283100929.db2.gz PPFPLUYNKZOARX-AWEZNQCLSA-N 0 0 254.264 3.243 10 30 CGEERN Cc1cnn([C@H]2CCCN(Cc3ccc(F)cc3C#N)C2)c1 ZINC000105901882 138353192 /nfs/dbraw/zinc/35/31/92/138353192.db2.gz DRWRIFSZHWDXPR-KRWDZBQOSA-N 0 0 298.365 3.039 10 30 CGEERN C[C@H]1CCN(C(=O)NCc2ccc(C#N)cc2)C[C@H](C)C1 ZINC000121519550 138367674 /nfs/dbraw/zinc/36/76/74/138367674.db2.gz VPOYMYKPQCBVKU-UONOGXRCSA-N 0 0 285.391 3.136 10 30 CGEERN Cc1ccc(C#N)c(N[C@@H](C)COCc2ccccc2)n1 ZINC000179788433 189220020 /nfs/dbraw/zinc/22/00/20/189220020.db2.gz NAKNUTBZBGMEEZ-AWEZNQCLSA-N 0 0 281.359 3.279 10 30 CGEERN CCS[C@H]1CC[C@@]1(O)CNc1cc(Cl)ccc1C#N ZINC000301488050 201026190 /nfs/dbraw/zinc/02/61/90/201026190.db2.gz IYCNTHMHJGHGBH-UONOGXRCSA-N 0 0 296.823 3.270 10 30 CGEERN CC(C)c1nc([C@H]2CCCN2CC#Cc2ccccc2)no1 ZINC000191977505 189610008 /nfs/dbraw/zinc/61/00/08/189610008.db2.gz CFFBCKGFOJIHMP-MRXNPFEDSA-N 0 0 295.386 3.382 10 30 CGEERN C#CCCCC(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000192088899 189613522 /nfs/dbraw/zinc/61/35/22/189613522.db2.gz UMJMATIELICWBI-JTQLQIEISA-N 0 0 267.731 3.460 10 30 CGEERN C[C@]1(C(=O)N[C@@H]2CCCc3occc32)CCCNC1=O ZINC000330307655 291346494 /nfs/dbraw/zinc/34/64/94/291346494.db2.gz LXXCHEVODDACHP-ABAIWWIYSA-N 0 0 276.336 3.370 10 30 CGEERN Cc1ccc(CN(C)c2ccc([N+](=O)[O-])c(C#N)n2)c(C)c1 ZINC000302728721 201529372 /nfs/dbraw/zinc/52/93/72/201529372.db2.gz PEGZVEJVXDHONY-UHFFFAOYSA-N 0 0 296.330 3.115 10 30 CGEERN C=C(C)n1c2ccccc2n(Cc2ccccc2)c1=O ZINC000001504714 368416205 /nfs/dbraw/zinc/41/62/05/368416205.db2.gz KZQDUMISYLULIV-UHFFFAOYSA-N 0 0 264.328 3.342 10 30 CGEERN CCOc1ccc2c(c1)Cc1cc(N(O)C(C)=O)ccc1-2 ZINC000013514934 368655685 /nfs/dbraw/zinc/65/56/85/368655685.db2.gz UWIQXPRZANTSBF-UHFFFAOYSA-N 0 0 283.327 3.399 10 30 CGEERN C=CCN(CC=C)c1nc(C)nc(Nc2ccc(C)cc2)n1 ZINC000027434278 368871536 /nfs/dbraw/zinc/87/15/36/368871536.db2.gz PDYHYBYOIPSDST-UHFFFAOYSA-N 0 0 295.390 3.410 10 30 CGEERN CCn1ccc(C(=O)/C=C\c2ccc(OC(F)F)cc2)n1 ZINC000033522467 368966865 /nfs/dbraw/zinc/96/68/65/368966865.db2.gz ZGPBQROVFCUWQZ-YVMONPNESA-N 0 0 292.285 3.401 10 30 CGEERN Cc1ccc(/C=N\OC(=O)c2cccnc2Cl)cc1 ZINC000033380796 368963019 /nfs/dbraw/zinc/96/30/19/368963019.db2.gz UZSZYAJBFAQCCN-MFOYZWKCSA-N 0 0 274.707 3.234 10 30 CGEERN N#Cc1cc([N+](=O)[O-])ccc1NCc1c(F)cccc1F ZINC000037131434 369066504 /nfs/dbraw/zinc/06/65/04/369066504.db2.gz VFZLKZMIVIPBRS-UHFFFAOYSA-N 0 0 289.241 3.357 10 30 CGEERN Cc1ccccc1[C@H](C)NC(=O)c1sccc1C#N ZINC000052028760 369460826 /nfs/dbraw/zinc/46/08/26/369460826.db2.gz XLUZVDYIOUPTAX-NSHDSACASA-N 0 0 270.357 3.419 10 30 CGEERN N#Cc1ccc(CNc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000052119745 369464123 /nfs/dbraw/zinc/46/41/23/369464123.db2.gz LVTKJDARCOBJJZ-UHFFFAOYSA-N 0 0 271.251 3.218 10 30 CGEERN CC1(C)C[C@H]1c1noc(Cc2ccc(C#N)cc2)n1 ZINC000230996124 189812696 /nfs/dbraw/zinc/81/26/96/189812696.db2.gz UXEVQCOTANRZOW-LBPRGKRZSA-N 0 0 253.305 3.046 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccccc1C(F)(F)F ZINC000061889254 369609307 /nfs/dbraw/zinc/60/93/07/369609307.db2.gz SYIBCGCRSFBTJA-CABZTGNLSA-N 0 0 282.265 3.127 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NCc1ccc(OC(F)F)cc1 ZINC000061891053 369610821 /nfs/dbraw/zinc/61/08/21/369610821.db2.gz LFRZBQOJSQZSNZ-WCQYABFASA-N 0 0 266.291 3.070 10 30 CGEERN N#C[C@H]1CCC[C@H]1NCc1ccc(OC(F)F)cc1 ZINC000061891051 369611169 /nfs/dbraw/zinc/61/11/69/369611169.db2.gz LFRZBQOJSQZSNZ-DGCLKSJQSA-N 0 0 266.291 3.070 10 30 CGEERN COc1cc(CC=O)ccc1OCc1ccccc1 ZINC000075420951 369907867 /nfs/dbraw/zinc/90/78/67/369907867.db2.gz PNNULHYEVCNQRF-UHFFFAOYSA-N 0 0 256.301 3.016 10 30 CGEERN N#Cc1ccc(/C=N\c2cc([N+](=O)[O-])ccc2F)cc1 ZINC000100489409 370279967 /nfs/dbraw/zinc/27/99/67/370279967.db2.gz FBCSETXGFAELLK-MFOYZWKCSA-N 0 0 269.235 3.356 10 30 CGEERN CC1=C(O)[C@@H](Cc2ccc(Br)cc2)CC1=O ZINC000101995810 370297844 /nfs/dbraw/zinc/29/78/44/370297844.db2.gz BSSWDBBNKHUWDS-JTQLQIEISA-N 0 0 281.149 3.413 10 30 CGEERN N#Cc1cc(F)ccc1CN1CCCC[C@H]1c1cn[nH]c1 ZINC000114483730 370502866 /nfs/dbraw/zinc/50/28/66/370502866.db2.gz CADULLUCLDDOHB-INIZCTEOSA-N 0 0 284.338 3.148 10 30 CGEERN C=CCOc1cccc(C[N@H+]2CCC[C@H]2c2cnn(C)c2)c1 ZINC000131859923 371134518 /nfs/dbraw/zinc/13/45/18/371134518.db2.gz FMJBQTQWNWUFBT-SFHVURJKSA-N 0 0 297.402 3.322 10 30 CGEERN N#Cc1ccc(C[NH2+][C@H]2CCOc3ccccc32)s1 ZINC000135670444 371442617 /nfs/dbraw/zinc/44/26/17/371442617.db2.gz HDSSOQHMPUYBOJ-AWEZNQCLSA-N 0 0 270.357 3.233 10 30 CGEERN Cc1ccc(C(=O)C[C@@H](C)C#N)cc1Br ZINC000164931492 372539010 /nfs/dbraw/zinc/53/90/10/372539010.db2.gz IPPVAHXWBHOQGV-MRVPVSSYSA-N 0 0 266.138 3.490 10 30 CGEERN C=C[C@@H]1CC[C@@H](O)[C@@H](N(C)C(=S)Nc2ccccc2)C1 ZINC000169685570 372631395 /nfs/dbraw/zinc/63/13/95/372631395.db2.gz DJHLMCRMGSKBHE-VHDGCEQUSA-N 0 0 290.432 3.031 10 30 CGEERN C=CCNC(=O)N1CCCC[C@H]1c1ccc(CC)o1 ZINC000173899138 373212954 /nfs/dbraw/zinc/21/29/54/373212954.db2.gz CUUZKSJLXNXYPW-ZDUSSCGKSA-N 0 0 262.353 3.265 10 30 CGEERN N#Cc1csc(C(=O)N2CCC[C@@H]2c2ccco2)c1 ZINC000177073853 373653495 /nfs/dbraw/zinc/65/34/95/373653495.db2.gz LDTGCIZRAYYNLQ-LLVKDONJSA-N 0 0 272.329 3.190 10 30 CGEERN C[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C#N)n2)[C@H](C)C1 ZINC000300172459 373619839 /nfs/dbraw/zinc/61/98/39/373619839.db2.gz IKUASIRBXSJGHG-GMTAPVOTSA-N 0 0 274.324 3.098 10 30 CGEERN C=C(C)CN(C)c1nnc(Cc2ccccc2F)s1 ZINC000302166183 373824832 /nfs/dbraw/zinc/82/48/32/373824832.db2.gz OVPXPGWPDVIRGI-UHFFFAOYSA-N 0 0 277.368 3.280 10 30 CGEERN Cc1nnc(Oc2ccc(C#N)c(Cl)c2)c(C#N)c1C ZINC000302584157 373900006 /nfs/dbraw/zinc/90/00/06/373900006.db2.gz UURMLGAUPSOQKT-UHFFFAOYSA-N 0 0 284.706 3.283 10 30 CGEERN Cc1cccc(C(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)n1 ZINC000328609680 374370370 /nfs/dbraw/zinc/37/03/70/374370370.db2.gz FNBMDWXKAJDQMJ-OCCSQVGLSA-N 0 0 276.380 3.146 10 30 CGEERN CO[C@H](C)CC(=O)NC[C@H]1CCO[C@@H]1c1ccccc1 ZINC000328616044 374370941 /nfs/dbraw/zinc/37/09/41/374370941.db2.gz ZTPOJAVZWJRGAQ-XNRPHZJLSA-N 0 0 277.364 3.146 10 30 CGEERN Cc1ccc(CNC(=O)NC2C3CC4CC(C3)CC2C4)cn1 ZINC000328639781 374374022 /nfs/dbraw/zinc/37/40/22/374374022.db2.gz CGEBKKODMBDVHM-UHFFFAOYSA-N 0 0 299.418 3.218 10 30 CGEERN CC1(C)CC[C@H](NC(=O)N[C@H]2CCC(=O)NC23CCC3)C1 ZINC000328728343 374379416 /nfs/dbraw/zinc/37/94/16/374379416.db2.gz DSTDPZJSTYPMPR-RYUDHWBXSA-N 0 0 293.411 3.110 10 30 CGEERN Cc1ccc([C@@H](C)NC(=O)c2ccc(C#N)o2)cc1F ZINC000335918217 375540271 /nfs/dbraw/zinc/54/02/71/375540271.db2.gz MVOSKJOEBSRRTI-SNVBAGLBSA-N 0 0 272.279 3.090 10 30 CGEERN C/C=C\C[C@H](COCc1ccccc1)OC/C=N\O ZINC000216144305 376158279 /nfs/dbraw/zinc/15/82/79/376158279.db2.gz SDFIKCQYVPRDBJ-AMOARUFNSA-N 0 0 263.337 3.015 10 30 CGEERN C=CC[C@H](C)NC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000246984782 377131440 /nfs/dbraw/zinc/13/14/40/377131440.db2.gz FSSHZMCFNBMLET-AXFHLTTASA-N 0 0 278.318 3.371 10 30 CGEERN COc1cc(F)c(C(=O)C(F)(F)C(F)(F)F)cc1F ZINC000575243239 377765894 /nfs/dbraw/zinc/76/58/94/377765894.db2.gz XVPRPBYCDJKLME-UHFFFAOYSA-N 0 0 290.134 3.354 10 30 CGEERN CCOC(=O)c1cc(C(F)(F)F)c(CC)cc1C#N ZINC000575389326 377897798 /nfs/dbraw/zinc/89/77/98/377897798.db2.gz GSICDGJTQVNIDE-UHFFFAOYSA-N 0 0 271.238 3.316 10 30 CGEERN CCOC(=O)c1ccc(CC)c(C#N)c1C(F)F ZINC000575389968 377898642 /nfs/dbraw/zinc/89/86/42/377898642.db2.gz XHAMZTGWMTXXEW-UHFFFAOYSA-N 0 0 253.248 3.235 10 30 CGEERN CCOC(=O)c1ccc(C#N)c(OC(F)(F)F)c1Cl ZINC000575382893 377892766 /nfs/dbraw/zinc/89/27/66/377892766.db2.gz OUJCSGGYFCQNRQ-UHFFFAOYSA-N 0 0 293.628 3.287 10 30 CGEERN CCOC(=O)c1ccc(C#N)c(OC(F)F)c1C(F)F ZINC000575385399 377894957 /nfs/dbraw/zinc/89/49/57/377894957.db2.gz ODOLNHNSPCCRRM-UHFFFAOYSA-N 0 0 291.200 3.274 10 30 CGEERN CCOC(=O)c1ccc(C#N)c(OC(F)(F)F)c1CC ZINC000575388876 377895989 /nfs/dbraw/zinc/89/59/89/377895989.db2.gz GYDCJPGVSKAYNR-UHFFFAOYSA-N 0 0 287.237 3.196 10 30 CGEERN COC(=O)Cc1cc(C(F)(F)F)c(C(F)F)cc1C#N ZINC000575387706 377896068 /nfs/dbraw/zinc/89/60/68/377896068.db2.gz VFLAIQDKSIEMBU-UHFFFAOYSA-N 0 0 293.191 3.230 10 30 CGEERN CCOC(=O)c1cc(OC(F)(F)F)c(CC)cc1C#N ZINC000575388784 377896153 /nfs/dbraw/zinc/89/61/53/377896153.db2.gz FREMMFFGRDSJGB-UHFFFAOYSA-N 0 0 287.237 3.196 10 30 CGEERN CC(C)(C)OC(=O)N[C@@]1(C#N)CCCCC1(C)C ZINC000575497297 377916238 /nfs/dbraw/zinc/91/62/38/377916238.db2.gz UFWUPRXMJSRAAB-CQSZACIVSA-N 0 0 252.358 3.374 10 30 CGEERN N#CCc1c(C#N)cc(OC(F)F)cc1C(F)(F)F ZINC000575639578 377924958 /nfs/dbraw/zinc/92/49/58/377924958.db2.gz SCLAYUIEFZSPQA-UHFFFAOYSA-N 0 0 276.164 3.245 10 30 CGEERN COc1cc(OC(F)F)c(CC#N)c(C(F)F)c1 ZINC000575652042 377929521 /nfs/dbraw/zinc/92/95/21/377929521.db2.gz JOPXYZJFEHPCKZ-UHFFFAOYSA-N 0 0 263.190 3.300 10 30 CGEERN CCOC(=O)c1cc(OCC)c(C#N)c(C(F)(F)F)c1 ZINC000575670421 377947158 /nfs/dbraw/zinc/94/71/58/377947158.db2.gz HKICNIKTORGOCQ-UHFFFAOYSA-N 0 0 287.237 3.152 10 30 CGEERN COc1cc(Br)cc(Cl)c1CC#N ZINC000575674205 377949457 /nfs/dbraw/zinc/94/94/57/377949457.db2.gz OTQCQSUSFNRHJC-UHFFFAOYSA-N 0 0 260.518 3.177 10 30 CGEERN N#CCc1c(Cl)ccc([N+](=O)[O-])c1Br ZINC000575675956 377950595 /nfs/dbraw/zinc/95/05/95/377950595.db2.gz APFSQQJXSJPJTE-UHFFFAOYSA-N 0 0 275.489 3.077 10 30 CGEERN N#CCc1ccc(OC(F)F)c(Br)c1F ZINC000575680303 377953535 /nfs/dbraw/zinc/95/35/35/377953535.db2.gz MLLBKHHMDFBZPW-UHFFFAOYSA-N 0 0 280.043 3.256 10 30 CGEERN CCOC(=O)c1ccc(C)c(C#N)c1C(F)(F)F ZINC000575394692 377902222 /nfs/dbraw/zinc/90/22/22/377902222.db2.gz LIXCQTAYAXBRMN-UHFFFAOYSA-N 0 0 257.211 3.062 10 30 CGEERN CCOC(=O)c1c(C#N)cc(C)cc1C(F)(F)F ZINC000575394433 377902318 /nfs/dbraw/zinc/90/23/18/377902318.db2.gz HMVBBWGOIYSVQL-UHFFFAOYSA-N 0 0 257.211 3.062 10 30 CGEERN COC(=O)Cc1cc(C#N)cc(SC(F)(F)F)c1C ZINC000575395378 377903818 /nfs/dbraw/zinc/90/38/18/377903818.db2.gz ARGZMHXZMKJZKI-UHFFFAOYSA-N 0 0 289.278 3.194 10 30 CGEERN Cc1cc(CC#N)c(Br)cc1OC(F)F ZINC000575683432 377957651 /nfs/dbraw/zinc/95/76/51/377957651.db2.gz PXRWOPYRYAYREA-UHFFFAOYSA-N 0 0 276.080 3.425 10 30 CGEERN COc1ccc(OC(F)F)c(CC#N)c1Br ZINC000575683343 377957801 /nfs/dbraw/zinc/95/78/01/377957801.db2.gz MLQMUADTFBHVOO-UHFFFAOYSA-N 0 0 292.079 3.125 10 30 CGEERN COc1cc(OC(F)F)c(CC#N)cc1Br ZINC000575684696 377959115 /nfs/dbraw/zinc/95/91/15/377959115.db2.gz SBCJEDSOVMPQAV-UHFFFAOYSA-N 0 0 292.079 3.125 10 30 CGEERN N#Cc1cc(Br)cc(F)c1OC(F)(F)F ZINC000575685562 377960231 /nfs/dbraw/zinc/96/02/31/377960231.db2.gz AJSCHUFSPIFQQF-UHFFFAOYSA-N 0 0 284.006 3.358 10 30 CGEERN N#Cc1c(Br)cc(F)cc1C(F)(F)F ZINC000575689672 377964023 /nfs/dbraw/zinc/96/40/23/377964023.db2.gz ADRPXGWPRAHQFY-UHFFFAOYSA-N 0 0 268.007 3.479 10 30 CGEERN N#CCc1c(O)cc(Br)cc1OC(F)(F)F ZINC000575690162 377965420 /nfs/dbraw/zinc/96/54/20/377965420.db2.gz ZTQVQGMVPZKOHX-UHFFFAOYSA-N 0 0 296.042 3.119 10 30 CGEERN N#CCc1c(O)ccc(C(F)(F)F)c1Br ZINC000575690936 377967296 /nfs/dbraw/zinc/96/72/96/377967296.db2.gz FXWAXGIDAOXRCN-UHFFFAOYSA-N 0 0 280.043 3.240 10 30 CGEERN N#Cc1cc(I)cc(Cl)c1Cl ZINC000575695750 377969217 /nfs/dbraw/zinc/96/92/17/377969217.db2.gz XADGOZKFBGFJQN-UHFFFAOYSA-N 0 0 297.910 3.470 10 30 CGEERN N#Cc1c([N+](=O)[O-])cc(Cl)cc1C(F)(F)F ZINC000575695301 377969246 /nfs/dbraw/zinc/96/92/46/377969246.db2.gz LNCMNBZRZGLXLU-UHFFFAOYSA-N 0 0 250.563 3.139 10 30 CGEERN CCc1cc(OC(F)(F)F)c(OC)cc1CC#N ZINC000575702795 377975713 /nfs/dbraw/zinc/97/57/13/377975713.db2.gz IAHZMUQHFSZUQR-UHFFFAOYSA-N 0 0 259.227 3.222 10 30 CGEERN Cc1ccc(N2CCC[C@@H]2[C@H]2CCCC[C@]2(C)O)nc1C#N ZINC000408037082 379989682 /nfs/dbraw/zinc/98/96/82/379989682.db2.gz YFVLXZPQWXKPKU-KYJSFNMBSA-N 0 0 299.418 3.172 10 30 CGEERN C[C@H]1CC(c2noc(-c3cc(C#N)cn3C)n2)C[C@H](C)C1 ZINC000408225679 380000623 /nfs/dbraw/zinc/00/06/23/380000623.db2.gz KCJGEGUJISAYPS-GHMZBOCLSA-N 0 0 284.363 3.486 10 30 CGEERN C[C@@H]1CCc2c(C(=O)N[C@@H]3CCC[C@@H]3C#N)csc2C1 ZINC000408333774 380005108 /nfs/dbraw/zinc/00/51/08/380005108.db2.gz IGHVQABYOHQFMI-JTNHKYCSSA-N 0 0 288.416 3.295 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)CSc1ccccc1Cl ZINC000359669900 381359973 /nfs/dbraw/zinc/35/99/73/381359973.db2.gz DXEWUNACMLHNRQ-JQWIXIFHSA-N 0 0 294.807 3.241 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)CC1CC(c2ccccc2)C1 ZINC000332724243 542450849 /nfs/dbraw/zinc/45/08/49/542450849.db2.gz CBIXLIJTYQCXBI-AGZZZRPFSA-N 0 0 282.387 3.379 10 30 CGEERN CC1CCC(N(C(=O)N[C@H]2CCC[C@H]2C#N)C2CC2)CC1 ZINC000332913400 542451504 /nfs/dbraw/zinc/45/15/04/542451504.db2.gz RVERWXZAAUNSHN-HTHKGWQXSA-N 0 0 289.423 3.431 10 30 CGEERN C[C@@H]1C[C@@H](CNc2ccc(F)cc2C#N)C[C@H](C)O1 ZINC000281973183 195456846 /nfs/dbraw/zinc/45/68/46/195456846.db2.gz VFZPJJSDIQRZMO-ZSBIGDGJSA-N 0 0 262.328 3.313 10 30 CGEERN C[C@H]1CC(CNc2ccc(F)cc2C#N)C[C@H](C)O1 ZINC000281973182 195456933 /nfs/dbraw/zinc/45/69/33/195456933.db2.gz VFZPJJSDIQRZMO-QWRGUYRKSA-N 0 0 262.328 3.313 10 30 CGEERN C[C@@H](CC1CC1)NC(=O)Nc1ccc2ccn(C)c(=O)c2c1 ZINC000329043016 533498874 /nfs/dbraw/zinc/49/88/74/533498874.db2.gz ISUCDZNIJDTAEA-NSHDSACASA-N 0 0 299.374 3.053 10 30 CGEERN C[C@H]1CCN(C(=O)Nc2cccc(C#N)c2)C[C@@H](C)C1 ZINC000154615770 533616881 /nfs/dbraw/zinc/61/68/81/533616881.db2.gz JKXHYFJLZHGIMS-STQMWFEESA-N 0 0 271.364 3.458 10 30 CGEERN CC(=O)C(Cl)=NNc1cccc(C(F)(F)F)c1 ZINC000095686610 392244027 /nfs/dbraw/zinc/24/40/27/392244027.db2.gz KBZLWCDFCJXLML-CXUHLZMHSA-N 0 0 264.634 3.259 10 30 CGEERN C=CCN(CC1CCCCC1)C(=O)[C@@H]1CC[C@H](C)O1 ZINC000154448315 392534991 /nfs/dbraw/zinc/53/49/91/392534991.db2.gz QQBJHLNMJSEIMU-ZFWWWQNUSA-N 0 0 265.397 3.149 10 30 CGEERN C=C(C)CN(C)C(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000181479271 392732375 /nfs/dbraw/zinc/73/23/75/392732375.db2.gz MTMUFQADHKTSKM-LBPRGKRZSA-N 0 0 264.344 3.413 10 30 CGEERN CC(C)c1ccc([C@H](C)NC(=O)NC[C@H](C)C#N)cc1 ZINC000182345911 392744833 /nfs/dbraw/zinc/74/48/33/392744833.db2.gz GAMYOIVTIHANEB-OLZOCXBDSA-N 0 0 273.380 3.330 10 30 CGEERN CCc1sc(C(=O)N[C@H]2CCC[C@H]2C#N)cc1C ZINC000336080212 392832682 /nfs/dbraw/zinc/83/26/82/392832682.db2.gz AFYLYYMLMGUQCU-QWRGUYRKSA-N 0 0 262.378 3.041 10 30 CGEERN C[C@@H]1CC(CNc2c(F)cc(C#N)cc2F)C[C@@H](C)O1 ZINC000281911930 393369347 /nfs/dbraw/zinc/36/93/47/393369347.db2.gz QHHAXYLABDONSD-NXEZZACHSA-N 0 0 280.318 3.452 10 30 CGEERN O=C(CCCS)Nc1ccc(Br)cc1 ZINC000307520415 397680857 /nfs/dbraw/zinc/68/08/57/397680857.db2.gz QDWGMXDRGKRFNJ-UHFFFAOYSA-N 0 0 274.183 3.098 10 30 CGEERN Cn1c2ccccc2nc1/N=C/c1cccc([N+](=O)[O-])c1 ZINC000005286095 170083415 /nfs/dbraw/zinc/08/34/15/170083415.db2.gz WOQLVFZMSDJIKG-MHWRWJLKSA-N 0 0 280.287 3.232 10 30 CGEERN CC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000005639220 170122998 /nfs/dbraw/zinc/12/29/98/170122998.db2.gz XVLKHIVIYIVCDX-VOTSOKGWSA-N 0 0 257.245 3.457 10 30 CGEERN Cc1ccc(NC(=S)N/N=C/c2cccc(F)c2)cc1 ZINC000006332055 170192668 /nfs/dbraw/zinc/19/26/68/170192668.db2.gz HYVJMKNUDVIQFT-LICLKQGHSA-N 0 0 287.363 3.455 10 30 CGEERN S=C(N/N=C/[C@@H]1CC=CCC1)NC1CCCCC1 ZINC000007013693 170262457 /nfs/dbraw/zinc/26/24/57/170262457.db2.gz GMZXRFAQHCDWKS-PKVLTRFUSA-N 0 0 265.426 3.125 10 30 CGEERN COc1cc(C=NNc2ccc(C)cc2)cc(OC)c1 ZINC000007930831 170307910 /nfs/dbraw/zinc/30/79/10/170307910.db2.gz KWTOQSKWOGBXLE-GZTJUZNOSA-N 0 0 270.332 3.458 10 30 CGEERN C=C(C)COc1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000009812661 170385910 /nfs/dbraw/zinc/38/59/10/170385910.db2.gz WLXOXIDOKJSNGO-UHFFFAOYSA-N 0 0 293.322 3.442 10 30 CGEERN C[C@H]1CCCC[C@@H]1OCc1ccc(/C(N)=N/O)cc1F ZINC000019425630 170794624 /nfs/dbraw/zinc/79/46/24/170794624.db2.gz VGGIGGUDVRUTFV-HZMBPMFUSA-N 0 0 280.343 3.016 10 30 CGEERN COc1cccc(SCc2ccc(/C(N)=N/O)cc2)c1 ZINC000019847775 170897143 /nfs/dbraw/zinc/89/71/43/170897143.db2.gz YBWSXWPZEREAEP-UHFFFAOYSA-N 0 0 288.372 3.082 10 30 CGEERN CC[C@@H](C)S[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000019870187 170901743 /nfs/dbraw/zinc/90/17/43/170901743.db2.gz YRZRCBFVMALNRJ-GHMZBOCLSA-N 0 0 262.378 3.417 10 30 CGEERN CCCN[C@@H](C#N)c1ccc(OC(F)(F)F)cc1 ZINC000020380207 171172055 /nfs/dbraw/zinc/17/20/55/171172055.db2.gz QEBQNFAWXFXESM-NSHDSACASA-N 0 0 258.243 3.149 10 30 CGEERN CCCN[C@@H](C#N)c1ccc2cc(OC)ccc2c1 ZINC000020380428 171172863 /nfs/dbraw/zinc/17/28/63/171172863.db2.gz ZIQMRLCDDLIZEQ-INIZCTEOSA-N 0 0 254.333 3.413 10 30 CGEERN CCC(C)(C)O[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000020514753 171232091 /nfs/dbraw/zinc/23/20/91/171232091.db2.gz OCOLUUGUOQDDCN-NSHDSACASA-N 0 0 260.337 3.090 10 30 CGEERN N#Cc1ccnc(Sc2ccccc2[N+](=O)[O-])c1 ZINC000035286689 172104635 /nfs/dbraw/zinc/10/46/35/172104635.db2.gz QZFJSLSXZUHMLC-UHFFFAOYSA-N 0 0 257.274 3.013 10 30 CGEERN N#Cc1ccccc1Nc1ccc2scnc2c1N ZINC000035344494 172136422 /nfs/dbraw/zinc/13/64/22/172136422.db2.gz OHTSPCXYYFCANC-UHFFFAOYSA-N 0 0 266.329 3.494 10 30 CGEERN N#C[C@@H](C(=O)c1cccc(F)c1)c1cccc(F)c1 ZINC000037346830 173144062 /nfs/dbraw/zinc/14/40/62/173144062.db2.gz JSHQSAUUWDARGX-CQSZACIVSA-N 0 0 257.239 3.455 10 30 CGEERN CC(C)(C)CC(=O)[C@@H](C#N)c1ccc2c(c1)OCO2 ZINC000037347511 173144138 /nfs/dbraw/zinc/14/41/38/173144138.db2.gz SOYRNAYSQKVUCS-NSHDSACASA-N 0 0 259.305 3.028 10 30 CGEERN COc1ccccc1[C@@H](C#N)NCc1cccs1 ZINC000037939631 173878997 /nfs/dbraw/zinc/87/89/97/173878997.db2.gz KPCJUWFUWJHHPY-CYBMUJFWSA-N 0 0 258.346 3.111 10 30 CGEERN CCCCOc1ccc2ccccc2c1C#CCO ZINC000038077807 174087906 /nfs/dbraw/zinc/08/79/06/174087906.db2.gz VVNVUHJKOVQXOU-UHFFFAOYSA-N 0 0 254.329 3.363 10 30 CGEERN C[C@@]1(O)CC(=O)C=C(c2ccc(Cl)cc2Cl)C1 ZINC000040174894 174201122 /nfs/dbraw/zinc/20/11/22/174201122.db2.gz YONKCQFUFNTQQZ-ZDUSSCGKSA-N 0 0 271.143 3.491 10 30 CGEERN N#C[C@@H](NC(=O)c1c(F)cccc1Cl)c1ccccc1 ZINC000040215136 174204357 /nfs/dbraw/zinc/20/43/57/174204357.db2.gz ZZOHNQZEZDMTPJ-CYBMUJFWSA-N 0 0 288.709 3.474 10 30 CGEERN Cc1ccc([C@@H]2CCCCN2C(=O)c2ccc(C#N)cn2)o1 ZINC000127763147 287295761 /nfs/dbraw/zinc/29/57/61/287295761.db2.gz CSPZXZKJMQPODD-HNNXBMFYSA-N 0 0 295.342 3.222 10 30 CGEERN CC[C@@H]1CCCCN1C(=O)[C@@H](C)Oc1cccc(C#N)c1 ZINC000043463389 175051921 /nfs/dbraw/zinc/05/19/21/175051921.db2.gz YZGDWKLWUQJCGD-UKRRQHHQSA-N 0 0 286.375 3.117 10 30 CGEERN N#C[C@@H](Cc1ccccc1)C(=O)Nc1ccc(F)cc1 ZINC000044810978 175257848 /nfs/dbraw/zinc/25/78/48/175257848.db2.gz HSRRQXZVAKEOGJ-CYBMUJFWSA-N 0 0 268.291 3.147 10 30 CGEERN CC(C)[C@@H](C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000044825647 175259225 /nfs/dbraw/zinc/25/92/25/175259225.db2.gz YDQNLRBCFWUVAT-GXFFZTMASA-N 0 0 264.756 3.313 10 30 CGEERN CC(C)(C)SCc1ccc(C#CCO)cc1F ZINC000049622407 175495328 /nfs/dbraw/zinc/49/53/28/175495328.db2.gz IKFARNNFFTVYBZ-UHFFFAOYSA-N 0 0 252.354 3.201 10 30 CGEERN Cc1nc(-c2c(C)c(-c3ccccc3)nc(N)c2C#N)c[nH]1 ZINC000071551764 176196396 /nfs/dbraw/zinc/19/63/96/176196396.db2.gz WTSKDYPFOXVZLN-UHFFFAOYSA-N 0 0 289.342 3.209 10 30 CGEERN Cn1c2ccccc2c2cc(OC[C@H]3CO3)ccc21 ZINC000077303150 177250563 /nfs/dbraw/zinc/25/05/63/177250563.db2.gz STQGTYIIPSLMQX-LBPRGKRZSA-N 0 0 253.301 3.109 10 30 in-vitro CGEERN O=C(C[C@@H]1CCCCNC1=O)N[C@@H]1CC=CCC1 ZINC000329304550 227424982 /nfs/dbraw/zinc/42/49/82/227424982.db2.gz XXXWIMMPMCLHKW-NWDGAFQWSA-N 0 0 250.342 3.198 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)CCc1nc2ccccc2o1 ZINC000330048073 228026824 /nfs/dbraw/zinc/02/68/24/228026824.db2.gz JVHYKTGCJHWWPZ-NWDGAFQWSA-N 0 0 283.331 3.409 10 30 CGEERN N#C[C@@]1(c2nc(CCC(F)(F)F)no2)CC12CCCC2 ZINC000333803707 228215041 /nfs/dbraw/zinc/21/50/41/228215041.db2.gz GSBIMNXCYGEWKI-GFCCVEGCSA-N 0 0 285.269 3.290 10 30 CGEERN CC1(C)CCCC[C@@H]1CC(=O)N[C@H]1CCC[C@@H]1C#N ZINC000407970012 260131096 /nfs/dbraw/zinc/13/10/96/260131096.db2.gz YXNAPBPQKPLRJC-MCIONIFRSA-N 0 0 262.397 3.401 10 30 CGEERN CC1(C)Cc2cccc(CN[C@@H]3CCC[C@@H]3C#N)c2O1 ZINC000080509210 260180890 /nfs/dbraw/zinc/18/08/90/260180890.db2.gz ZEXRQOVHWOKURC-UKRRQHHQSA-N 0 0 270.376 3.182 10 30 CGEERN C=CCCCCNc1ncc(Br)c(NC)n1 ZINC000302505002 261352733 /nfs/dbraw/zinc/35/27/33/261352733.db2.gz DMXROKZWYLNUJA-UHFFFAOYSA-N 0 0 285.189 3.049 10 30 CGEERN CC(C)Oc1cccc(CN[C@@H]2CCC[C@H]2C#N)c1 ZINC000061892727 262406132 /nfs/dbraw/zinc/40/61/32/262406132.db2.gz SFVTYFRJUCKFHH-GOEBONIOSA-N 0 0 258.365 3.256 10 30 CGEERN C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC000119312148 267321684 /nfs/dbraw/zinc/32/16/84/267321684.db2.gz CJZAMEYEAFPIII-JKSUJKDBSA-N 0 0 286.419 3.235 10 30 CGEERN Cc1nc(C(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)ccc1C#N ZINC000246473460 287707585 /nfs/dbraw/zinc/70/75/85/287707585.db2.gz XQUSNRATFSLFDI-PVXIVEMSSA-N 0 0 283.375 3.055 10 30 CGEERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)Nc1sccc1C#N ZINC000117569335 279138673 /nfs/dbraw/zinc/13/86/73/279138673.db2.gz LMDMVUYUHADZCI-RNCFNFMXSA-N 0 0 284.340 3.123 10 30 CGEERN Cc1nc(N2CCc3sccc3[C@@H]2C)ccc1C#N ZINC000291626767 281942422 /nfs/dbraw/zinc/94/24/22/281942422.db2.gz KYXQYJJAEPYDIW-NSHDSACASA-N 0 0 269.373 3.447 10 30 CGEERN C[C@]1(C(=O)N[C@H]2CCOC3(CCCC3)C2)CCCNC1=O ZINC000330290641 300742150 /nfs/dbraw/zinc/74/21/50/300742150.db2.gz CLSWKCNTSDMXBT-WFASDCNBSA-N 0 0 294.395 3.191 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1cc(Cl)sc1Cl ZINC000225119444 329247705 /nfs/dbraw/zinc/24/77/05/329247705.db2.gz CKAUAWCSJHPMDA-POYBYMJQSA-N 0 0 289.187 3.477 10 30 CGEERN C=CCN(CC1CCCCC1)C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000112213467 328391587 /nfs/dbraw/zinc/39/15/87/328391587.db2.gz LPSBBAQIZKYBBW-ZBFHGGJFSA-N 0 0 294.439 3.332 10 30 CGEERN O=C(CS)Nc1ccccc1Oc1ccccc1 ZINC000084844241 327150715 /nfs/dbraw/zinc/15/07/15/327150715.db2.gz IJEFJOKKHJIOCW-UHFFFAOYSA-N 0 0 259.330 3.347 10 30 CGEERN C[C@@H]1c2ccccc2O[C@H]1C(=O)N(CC#N)c1ccccc1 ZINC000172064962 329080577 /nfs/dbraw/zinc/08/05/77/329080577.db2.gz SRLMDWYTJSGUCU-CXAGYDPISA-N 0 0 292.338 3.108 10 30 CGEERN CCCCCCCC(=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000178354666 329199073 /nfs/dbraw/zinc/19/90/73/329199073.db2.gz DMNGCPUVSQHQHO-DOTOQJQBSA-N 0 0 275.392 3.121 10 30 CGEERN C#CCCCCC(=O)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000180291099 329219425 /nfs/dbraw/zinc/21/94/25/329219425.db2.gz BSWNBFVLADGPFZ-CQSZACIVSA-N 0 0 290.432 3.351 10 30 CGEERN C[C@H](C#N)N(C)CCCc1cc(-c2ccccc2)no1 ZINC000181668509 329235592 /nfs/dbraw/zinc/23/55/92/329235592.db2.gz XJIPGUIUQHIPCW-CYBMUJFWSA-N 0 0 269.348 3.118 10 30 CGEERN C#CCCCCC(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189801199 329389212 /nfs/dbraw/zinc/38/92/12/329389212.db2.gz ZSIHAHJIYVRWOM-UHFFFAOYSA-N 0 0 297.398 3.275 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NCc1c(F)cccc1Cl ZINC000061891371 329681784 /nfs/dbraw/zinc/68/17/84/329681784.db2.gz PSKCHBMLOXZOKU-RNCFNFMXSA-N 0 0 252.720 3.261 10 30 CGEERN C[C@@H]1c2ccccc2O[C@H]1C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 ZINC000246615038 329868186 /nfs/dbraw/zinc/86/81/86/329868186.db2.gz AYXXZXQGQRXWCC-FAELENHSSA-N 0 0 298.386 3.140 10 30 CGEERN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000248696834 329897361 /nfs/dbraw/zinc/89/73/61/329897361.db2.gz DJKXICSNDBLKDE-RRFJBIMHSA-N 0 0 291.391 3.296 10 30 CGEERN C=C(C)CNC(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000163142516 330989336 /nfs/dbraw/zinc/98/93/36/330989336.db2.gz FWOMFCXPRHMZJV-SECBINFHSA-N 0 0 270.735 3.415 10 30 CGEERN CC(C)[C@@H](O)CC(=O)NC1(C#N)CCC(C(C)(C)C)CC1 ZINC000183905276 333123288 /nfs/dbraw/zinc/12/32/88/333123288.db2.gz GWPXGTKTTFDRNX-UUCFBXCCSA-N 0 0 294.439 3.008 10 30 CGEERN C=CCN(CC1CCCCC1)C(=O)[C@H]1CCCO[C@H]1C ZINC000191631005 333222501 /nfs/dbraw/zinc/22/25/01/333222501.db2.gz LYJNBCWBLDCESQ-HOCLYGCPSA-N 0 0 279.424 3.396 10 30 CGEERN CC(C)N(CC1CC1)c1ccc(Cl)cc1/C(N)=N/O ZINC000052860676 519640706 /nfs/dbraw/zinc/64/07/06/519640706.db2.gz OFVKBEVAPYYWAA-UHFFFAOYSA-N 0 0 281.787 3.059 10 30 CGEERN CCCN[C@H](C#N)CCOc1ccc(C(C)C)cc1 ZINC000062445481 520059845 /nfs/dbraw/zinc/05/98/45/520059845.db2.gz LLMVZXLVDWYPAW-HNNXBMFYSA-N 0 0 260.381 3.471 10 30 CGEERN CN(C[C@@H]1CCCCO1)[C@@H](CC#N)c1ccccc1 ZINC000055020360 523034194 /nfs/dbraw/zinc/03/41/94/523034194.db2.gz XEZAOUNEHZVXFL-HOTGVXAUSA-N 0 0 258.365 3.142 10 30 CGEERN O=C(N[C@@H]1CCCc2c[nH]nc21)[C@@H]1CCc2ccccc21 ZINC000330138782 534762173 /nfs/dbraw/zinc/76/21/73/534762173.db2.gz VUFIKKBSZGVRKR-HUUCEWRRSA-N 0 0 281.359 3.474 10 30 CGEERN COc1ccc(Cl)c(N[C@@H]2CCC[C@@H]2C#N)c1 ZINC000054827458 524186527 /nfs/dbraw/zinc/18/65/27/524186527.db2.gz XZPLAKBDBBBACV-BXKDBHETSA-N 0 0 250.729 3.453 10 30 CGEERN C[C@@H]1CCC[C@@](CO)(Nc2ccc(C#N)cc2F)C1 ZINC000053110070 524340961 /nfs/dbraw/zinc/34/09/61/524340961.db2.gz MLSJQUOQEJMRSQ-IAQYHMDHSA-N 0 0 262.328 3.050 10 30 CGEERN C[C@H](Cc1ccco1)Nc1ccc(OCC#N)cc1 ZINC000062769684 524748110 /nfs/dbraw/zinc/74/81/10/524748110.db2.gz GVTRYDCHPDBQQK-GFCCVEGCSA-N 0 0 256.305 3.225 10 30 CGEERN Cc1cc(Cl)n2nc(C(F)(F)F)cc2c1C#N ZINC000072226092 524917167 /nfs/dbraw/zinc/91/71/67/524917167.db2.gz MDINVVBSOFWZSD-UHFFFAOYSA-N 0 0 259.618 3.187 10 30 CGEERN Cc1cc(Oc2ccc([N+](=O)[O-])cc2F)c(C#N)c(C)n1 ZINC000156605724 525386495 /nfs/dbraw/zinc/38/64/95/525386495.db2.gz VWVHMGAVELPMLJ-UHFFFAOYSA-N 0 0 287.250 3.410 10 30 CGEERN N#Cc1c(Cl)cccc1NCCc1ccc(N)cc1 ZINC000052907032 526519117 /nfs/dbraw/zinc/51/91/17/526519117.db2.gz HPJAKMDMGNXZHW-UHFFFAOYSA-N 0 0 271.751 3.448 10 30 CGEERN N#Cc1ccc(Cl)cc1-n1ccc(C(F)(F)F)n1 ZINC000062790130 526634333 /nfs/dbraw/zinc/63/43/33/526634333.db2.gz NMHBYMSVMOONSE-UHFFFAOYSA-N 0 0 271.629 3.416 10 30 CGEERN C=C(Cl)CC(=O)[C@H](C)NC(=O)OCc1ccccc1 ZINC000685959045 570406633 /nfs/dbraw/zinc/40/66/33/570406633.db2.gz ITNWYQGPDJQFNU-NSHDSACASA-N 0 0 281.739 3.013 10 30 CGEERN C=CCOCCCC(=O)O[C@H](C)c1cccs1 ZINC000174141500 623365642 /nfs/dbraw/zinc/36/56/42/623365642.db2.gz CBDYWSKAVGWVCR-LLVKDONJSA-N 0 0 254.351 3.335 10 30 CGEERN C=C[C@@H](C)NC(=S)Nc1ccccc1Br ZINC000757135541 617772627 /nfs/dbraw/zinc/77/26/27/617772627.db2.gz ULVXEWIPXGWUKY-MRVPVSSYSA-N 0 0 285.210 3.310 10 30 CGEERN C[C@H](OC(=O)Cc1ccccc1Cl)C(C)(C)C#N ZINC000178810528 618696779 /nfs/dbraw/zinc/69/67/79/618696779.db2.gz CEXXVBNUVOSXDL-JTQLQIEISA-N 0 0 265.740 3.364 10 30 CGEERN C#CCN(C(=O)N[C@@H](C)c1ccc(C)o1)C1CCCC1 ZINC000162568994 619105225 /nfs/dbraw/zinc/10/52/25/619105225.db2.gz BJFKKBUXFBSNBP-ZDUSSCGKSA-N 0 0 274.364 3.236 10 30 CGEERN C=CCCC(=O)O[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000073091805 625435552 /nfs/dbraw/zinc/43/55/52/625435552.db2.gz WJSOKGXCPKGEIV-NSHDSACASA-N 0 0 262.305 3.028 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1cc(Cl)nc2ccccc21 ZINC000061890279 623185336 /nfs/dbraw/zinc/18/53/36/623185336.db2.gz YXAMJXZJJXHVGB-MFKMUULPSA-N 0 0 299.761 3.310 10 30 CGEERN C[C@@H](Nc1ccc(C#N)cc1Cl)[C@@H]1CCCO1 ZINC000062790884 623269585 /nfs/dbraw/zinc/26/95/85/623269585.db2.gz FTXIEYLPGCYKHK-RNCFNFMXSA-N 0 0 250.729 3.191 10 30 CGEERN C=CCOCCCC(=O)O[C@@H](C)c1nc2ccccc2[nH]1 ZINC000076907871 623309508 /nfs/dbraw/zinc/30/95/08/623309508.db2.gz UPBZUJWUBVOOGW-LBPRGKRZSA-N 0 0 288.347 3.150 10 30 CGEERN Cc1cnc([C@H](C)Nc2nc(Cl)c(C#N)s2)o1 ZINC000231748558 623339299 /nfs/dbraw/zinc/33/92/99/623339299.db2.gz IGSNUFWEQULKTC-LURJTMIESA-N 0 0 268.729 3.138 10 30 CGEERN C#C[C@@H](C)OC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000174444082 623393129 /nfs/dbraw/zinc/39/31/29/623393129.db2.gz KCVYDKBQZWKCGB-RKDXNWHRSA-N 0 0 287.142 3.326 10 30 CGEERN C#C[C@H](OC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000152649681 623698279 /nfs/dbraw/zinc/69/82/79/623698279.db2.gz HRNKJWFGMQVXHV-XUJVJEKNSA-N 0 0 276.282 3.023 10 30 CGEERN CCc1ccc([C@@H](CC=O)NC(=O)OC(C)(C)C)cc1 ZINC000238291037 624759876 /nfs/dbraw/zinc/75/98/76/624759876.db2.gz RWGMVNWDXWSMMO-CQSZACIVSA-N 0 0 277.364 3.404 10 30 CGEERN Cc1cccc([C@@H](CC=O)NC(=O)OC(C)(C)C)c1 ZINC000238541136 624779033 /nfs/dbraw/zinc/77/90/33/624779033.db2.gz CBXOFDJTEULIPT-CYBMUJFWSA-N 0 0 263.337 3.150 10 30 CGEERN C#CCNC(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000123084608 633571617 /nfs/dbraw/zinc/57/16/17/633571617.db2.gz AGLJFZRXBSYQLD-JOYOIKCWSA-N 0 0 297.185 3.029 10 30 CGEERN CCCCCCCCNC(=O)[C@H]1CCc2nc(C)[nH]c2C1 ZINC000220606868 637682569 /nfs/dbraw/zinc/68/25/69/637682569.db2.gz QSBCBMVHUYSBTK-AWEZNQCLSA-N 0 0 291.439 3.300 10 30 CGEERN C#CCN1C[C@@H](c2ccccc2Cl)OCC1(C)C ZINC000111308712 637838260 /nfs/dbraw/zinc/83/82/60/637838260.db2.gz DROZSFLMZZTTLE-AWEZNQCLSA-N 0 0 263.768 3.125 10 30 CGEERN C=CCCO[C@@H](C)C(=O)O[C@H](C)c1cccs1 ZINC000194564232 640540261 /nfs/dbraw/zinc/54/02/61/640540261.db2.gz BRSABMZDPCFFRA-MNOVXSKESA-N 0 0 254.351 3.334 10 30 CGEERN O=c1[nH]c2ccccc2cc1C=N[C@H]1COc2ccccc21 ZINC000194595612 640543170 /nfs/dbraw/zinc/54/31/70/640543170.db2.gz BDYLOMDVONFYPB-JJLFXSABSA-N 0 0 290.322 3.493 10 30 CGEERN CCOc1ccc(O)c(/C=N/[C@H]2COc3ccccc32)c1 ZINC000194595575 640543215 /nfs/dbraw/zinc/54/32/15/640543215.db2.gz JQRBQVGXHNYADQ-ZNBBLSJYSA-N 0 0 283.327 3.344 10 30 CGEERN C[C@H](OC(=O)CCc1ccc(C#N)cc1)C1CCC1 ZINC000083149792 640596047 /nfs/dbraw/zinc/59/60/47/640596047.db2.gz KDOQUHOTXKYURS-LBPRGKRZSA-N 0 0 257.333 3.223 10 30 CGEERN N#C[C@H](C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1ccccn1 ZINC000246057326 640654189 /nfs/dbraw/zinc/65/41/89/640654189.db2.gz XSVKHXXRIAVAPL-XQQFMLRXSA-N 0 0 298.292 3.340 10 30 CGEERN C[C@@H](ON=C1CCCOCC1)c1nc(C(C)(C)C)no1 ZINC000588398463 799687594 /nfs/dbraw/zinc/68/75/94/799687594.db2.gz GJTWRWCBGMHHBT-SNVBAGLBSA-N 0 0 281.356 3.001 10 30 CGEERN C=CC[C@H](CO)NC(=O)/C=C\c1ccc(C(C)(C)C)cc1 ZINC000588449701 799695878 /nfs/dbraw/zinc/69/58/78/799695878.db2.gz MENSZSLFMKOQMC-HMWXGYMHSA-N 0 0 287.403 3.051 10 30 CGEERN C#CCC(C)(C)COC(=O)/C=C\c1scnc1C ZINC000588522518 799705781 /nfs/dbraw/zinc/70/57/81/799705781.db2.gz YNDLFTLNPYYRHK-SREVYHEPSA-N 0 0 263.362 3.057 10 30 CGEERN CC[C@H](CC#N)OC(=O)/C=C(/C)c1cccc(F)c1 ZINC000588558188 799711499 /nfs/dbraw/zinc/71/14/99/799711499.db2.gz SVKOHTMOEKKOEX-RBJHHQRMSA-N 0 0 261.296 3.464 10 30 CGEERN CCON=Cc1c[nH]c2ccc(Br)cc12 ZINC000004107036 928081891 /nfs/dbraw/zinc/08/18/91/928081891.db2.gz NAPUTMHXBJYVNI-UHFFFAOYSA-N 0 0 267.126 3.301 10 30 CGEERN O=CC12CCC(NC(=O)OCc3ccccc3)(CC1)CC2 ZINC000095938371 185035234 /nfs/dbraw/zinc/03/52/34/185035234.db2.gz IJZUPQRAOZGHAB-UHFFFAOYSA-N 0 0 287.359 3.205 10 30 CGEERN CCn1nc(C)c(/C=C\C(=O)c2cccc(O)c2)c1C ZINC000096854146 185117530 /nfs/dbraw/zinc/11/75/30/185117530.db2.gz YUVSWLBNMXXTCW-HJWRWDBZSA-N 0 0 270.332 3.122 10 30 CGEERN S=C1N=NC(N=Cc2ccccc2Cl)S1 ZINC000096934142 185132789 /nfs/dbraw/zinc/13/27/89/185132789.db2.gz PDQQYRUYTIPAOI-VZUCSPMQSA-N 0 0 255.755 3.231 10 30 CGEERN N#C[C@@]1(Nc2ccccc2)CCN(Cc2ccccc2)C1 ZINC000037935210 344953984 /nfs/dbraw/zinc/95/39/84/344953984.db2.gz PGANTQUISGXZES-SFHVURJKSA-N 0 0 277.371 3.267 10 30 CGEERN C=C(CCCCCC(=O)OC)CCCC(=O)OC ZINC000039122722 344957902 /nfs/dbraw/zinc/95/79/02/344957902.db2.gz BUFQLSZPALRKPU-UHFFFAOYSA-N 0 0 256.342 3.009 10 30 CGEERN C[C@H]1CN=C(Nc2ccccc2Br)S1 ZINC000035294925 344942065 /nfs/dbraw/zinc/94/20/65/344942065.db2.gz NNMYMHTYRFMEAR-ZETCQYMHSA-N 0 0 271.183 3.162 10 30 CGEERN C[C@H](C#N)N[C@@H](C)c1ccc(Br)cc1 ZINC000043515502 345000080 /nfs/dbraw/zinc/00/00/80/345000080.db2.gz DPEMYTMRPVOSMI-BDAKNGLRSA-N 0 0 253.143 3.012 10 30 CGEERN N#Cc1ccsc1C(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000052028872 345095710 /nfs/dbraw/zinc/09/57/10/345095710.db2.gz HFZTXYULXZMWLL-DGCLKSJQSA-N 0 0 274.389 3.415 10 30 CGEERN CC[C@H](C#N)Oc1ccc(Br)cc1C ZINC000063061935 345242933 /nfs/dbraw/zinc/24/29/33/345242933.db2.gz BRUFSIGCOSNDQF-SNVBAGLBSA-N 0 0 254.127 3.439 10 30 CGEERN C#CC(C)(C)NCc1sccc1Br ZINC000069680927 345383644 /nfs/dbraw/zinc/38/36/44/345383644.db2.gz GPQKGBFENKRILB-UHFFFAOYSA-N 0 0 258.184 3.012 10 30 CGEERN CCSC[C@@H](C)N(C)c1ccc([N+](=O)[O-])cc1C#N ZINC000074770608 345481079 /nfs/dbraw/zinc/48/10/79/345481079.db2.gz SVCCBDXBVRYDFO-SNVBAGLBSA-N 0 0 279.365 3.044 10 30 CGEERN COc1ccc([C@@H]2CCCN(c3ccc(C#N)cn3)C2)cc1 ZINC000043082736 136494220 /nfs/dbraw/zinc/49/42/20/136494220.db2.gz HVVRMBJMQPQQLJ-MRXNPFEDSA-N 0 0 293.370 3.346 10 30 CGEERN N#C[C@H]1CCCC[C@H]1NCc1cc(F)ccc1F ZINC000111405609 345949596 /nfs/dbraw/zinc/94/95/96/345949596.db2.gz VSOVIUBCUYJXSF-QMTHXVAHSA-N 0 0 250.292 3.137 10 30 CGEERN CC[C@H](C#N)Nc1cccc(C)c1Br ZINC000131615305 346066547 /nfs/dbraw/zinc/06/65/47/346066547.db2.gz JXCOKQGTGHNBPY-SECBINFHSA-N 0 0 253.143 3.472 10 30 CGEERN COc1cc(Nc2nc3ccccc3[nH]2)ccc1C#N ZINC000150254072 346133279 /nfs/dbraw/zinc/13/32/79/346133279.db2.gz RWETYZXMJBDXDA-UHFFFAOYSA-N 0 0 264.288 3.187 10 30 CGEERN C=C(C)[C@H](NN)c1ccc(Br)cc1Cl ZINC000158850667 346165530 /nfs/dbraw/zinc/16/55/30/346165530.db2.gz UPYTUTBQXIWNIG-JTQLQIEISA-N 0 0 275.577 3.183 10 30 CGEERN C#CCC[C@@H](O)c1ccc(Br)c(C)c1 ZINC000162295089 346178654 /nfs/dbraw/zinc/17/86/54/346178654.db2.gz NOVNRMZVYJPGHD-GFCCVEGCSA-N 0 0 253.139 3.204 10 30 CGEERN O=C1C=C(Cc2cccc(F)c2Br)CC1 ZINC000157712305 346162692 /nfs/dbraw/zinc/16/26/92/346162692.db2.gz OFHVYRJELGSTJW-UHFFFAOYSA-N 0 0 269.113 3.420 10 30 CGEERN Cc1ccccc1/[N+]([O-])=C/c1ccc([N+](=O)[O-])cc1 ZINC000225389622 346303993 /nfs/dbraw/zinc/30/39/93/346303993.db2.gz KOKIERWBEFGBDD-GDNBJRDFSA-N 0 0 257.269 3.056 10 30 CGEERN C=C(Cl)CNc1ncnc(Cl)c1Br ZINC000229315115 346317154 /nfs/dbraw/zinc/31/71/54/346317154.db2.gz OFPDBRBHNHEBID-UHFFFAOYSA-N 0 0 282.956 3.057 10 30 CGEERN CC[C@@H](C#N)Nc1c(F)cccc1Br ZINC000232126057 346324875 /nfs/dbraw/zinc/32/48/75/346324875.db2.gz LPMNGAXKNYALOA-ZETCQYMHSA-N 0 0 257.106 3.302 10 30 CGEERN C=C(C)C(=O)c1sccc1I ZINC000306325099 346453177 /nfs/dbraw/zinc/45/31/77/346453177.db2.gz PYCMNSLGWNFZFD-UHFFFAOYSA-N 0 0 278.114 3.112 10 30 CGEERN CCO/C=C1\Cc2ccc(Br)cc2C1=O ZINC000308827518 346468924 /nfs/dbraw/zinc/46/89/24/346468924.db2.gz RURDKGQHLHTIJE-VQHVLOKHSA-N 0 0 267.122 3.108 10 30 CGEERN COc1ccc(/C=N\c2ccc(N(C)C(C)=O)cc2)cc1 ZINC000100207625 185708196 /nfs/dbraw/zinc/70/81/96/185708196.db2.gz PQCQKCZFNNKTSZ-PDGQHHTCSA-N 0 0 282.343 3.429 10 30 CGEERN CCOc1cc(/C=N/c2ccccc2C#N)ccc1O ZINC000100223546 185708935 /nfs/dbraw/zinc/70/89/35/185708935.db2.gz XMDBXAJOYDFIRC-WOJGMQOQSA-N 0 0 266.300 3.413 10 30 CGEERN N#C[C@H]1CCCC[C@@H]1NCc1cnn(Cc2ccccc2)c1 ZINC000390184177 346573174 /nfs/dbraw/zinc/57/31/74/346573174.db2.gz KXCOUMGIPHODLI-MSOLQXFVSA-N 0 0 294.402 3.103 10 30 CGEERN N#Cc1ccc(C(F)(F)F)c(C(F)(F)F)c1N ZINC000514264211 346636299 /nfs/dbraw/zinc/63/62/99/346636299.db2.gz GSSBZBKHNZPEDO-UHFFFAOYSA-N 0 0 254.133 3.178 10 30 CGEERN N#CCc1c(O)ccc(C(F)(F)F)c1C(F)(F)F ZINC000514261911 346636335 /nfs/dbraw/zinc/63/63/35/346636335.db2.gz OZQXCHRCKQHVFS-UHFFFAOYSA-N 0 0 269.144 3.496 10 30 CGEERN N#CCc1cc(C(F)(F)F)nc(C(F)(F)F)c1 ZINC000514262497 346636474 /nfs/dbraw/zinc/63/64/74/346636474.db2.gz ASLIWMPFURNDDX-UHFFFAOYSA-N 0 0 254.133 3.185 10 30 CGEERN N#Cc1c(C(F)(F)F)ccc(N)c1C(F)(F)F ZINC000514264383 346636535 /nfs/dbraw/zinc/63/65/35/346636535.db2.gz WXCSLZUSVAMWKK-UHFFFAOYSA-N 0 0 254.133 3.178 10 30 CGEERN CCCCCCCC[N@@H+]1CCN2C(=O)N(CC)CC[C@H]2C1 ZINC000584640021 346702162 /nfs/dbraw/zinc/70/21/62/346702162.db2.gz CMZVBDIZJOBXPR-INIZCTEOSA-N 0 0 295.471 3.179 10 30 CGEERN CCOC(=O)[C@@](C#N)(CCC#N)c1ccc(C(C)C)cc1 ZINC000584595550 346686984 /nfs/dbraw/zinc/68/69/84/346686984.db2.gz ICHLKRQNMMFWIG-QGZVFWFLSA-N 0 0 284.359 3.438 10 30 CGEERN CCOC(=O)[C@@](C#N)(CC)[C@@](C)(C#N)c1ccc(F)cc1 ZINC000584596986 346687601 /nfs/dbraw/zinc/68/76/01/346687601.db2.gz XJYKFZBFRJOYJM-HOTGVXAUSA-N 0 0 288.322 3.090 10 30 CGEERN C#C[C@](OC(C)=O)(c1cccc(Cl)c1)C1(C#N)CC1 ZINC000584603495 346690510 /nfs/dbraw/zinc/69/05/10/346690510.db2.gz ZUWOKNGAZXBTHT-HNNXBMFYSA-N 0 0 273.719 3.035 10 30 CGEERN C=CC[C@H](Cc1c(OC)ccc2ccccc21)C(N)=O ZINC000584620747 346695627 /nfs/dbraw/zinc/69/56/27/346695627.db2.gz RQANTPKOTSHURU-CYBMUJFWSA-N 0 0 269.344 3.069 10 30 CGEERN CCCCCCCCNc1ccc2nc(N)nc(N)c2c1 ZINC000584623070 346696309 /nfs/dbraw/zinc/69/63/09/346696309.db2.gz CHJXEHGYQCAIJU-UHFFFAOYSA-N 0 0 287.411 3.227 10 30 CGEERN COc1cccc2c1CC[C@H]([C@H]1C=CC(=O)CC1)C2 ZINC000584624730 346696610 /nfs/dbraw/zinc/69/66/10/346696610.db2.gz MELSYDQRRQLXEN-STQMWFEESA-N 0 0 256.345 3.335 10 30 CGEERN N#C[C@H](N)CC1=Cc2cc(C(F)(F)F)ccc2CC1 ZINC000584626771 346697819 /nfs/dbraw/zinc/69/78/19/346697819.db2.gz JXXNLLGUVSWZNH-CYBMUJFWSA-N 0 0 266.266 3.276 10 30 CGEERN N#Cc1c(CCCc2ccccc2)cc[nH]c1=S ZINC000584633537 346699687 /nfs/dbraw/zinc/69/96/87/346699687.db2.gz PZVKSQKXWDUAGI-UHFFFAOYSA-N 0 0 254.358 3.417 10 30 CGEERN N#Cc1ccc(NC2CCC(C(F)(F)F)CC2)cn1 ZINC000596068000 347378681 /nfs/dbraw/zinc/37/86/81/347378681.db2.gz SYQZIECDWSHMCV-UHFFFAOYSA-N 0 0 269.270 3.486 10 30 CGEERN COc1ccc([C@H](C)NCc2ccccc2C#N)cc1OC ZINC000128544999 187377540 /nfs/dbraw/zinc/37/75/40/187377540.db2.gz MSSPBPBIJIGNSR-ZDUSSCGKSA-N 0 0 296.370 3.426 10 30 CGEERN CCCCCCCC(=O)N(CCC(N)=S)C(C)C ZINC000103419729 185837930 /nfs/dbraw/zinc/83/79/30/185837930.db2.gz LNDPJMWDVAXCJE-UHFFFAOYSA-N 0 0 272.458 3.260 10 30 CGEERN CCCCCCCC(=O)N(CCO)C(CC)CC ZINC000103414897 185838487 /nfs/dbraw/zinc/83/84/87/185838487.db2.gz VOWMGCQMUCEXLZ-UHFFFAOYSA-N 0 0 257.418 3.356 10 30 CGEERN N#Cc1ccccc1[C@H]1COCCN1Cc1ccccc1 ZINC000616638648 348853229 /nfs/dbraw/zinc/85/32/29/348853229.db2.gz BJFFKJFKMSZKTH-GOSISDBHSA-N 0 0 278.355 3.132 10 30 CGEERN CCOC(=O)N1CCCC[C@@H](c2ccccc2C#N)C1 ZINC000616650427 348857202 /nfs/dbraw/zinc/85/72/02/348857202.db2.gz CPMFBNYDMKESTB-CQSZACIVSA-N 0 0 272.348 3.284 10 30 CGEERN COC(=O)N1C[C@H](c2ccccc2C#N)Nc2ccccc21 ZINC000616682962 348866400 /nfs/dbraw/zinc/86/64/00/348866400.db2.gz FHMZXTBVUYUOTB-OAHLLOKOSA-N 0 0 293.326 3.298 10 30 CGEERN N#Cc1ccccc1-c1cccc(Br)n1 ZINC000090568093 180008021 /nfs/dbraw/zinc/00/80/21/180008021.db2.gz PGIIHMMVDLGRKC-UHFFFAOYSA-N 0 0 259.106 3.383 10 30 CGEERN CC#CCCN1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000155331659 188199448 /nfs/dbraw/zinc/19/94/48/188199448.db2.gz AVVMRCVNEWTSSY-CYBMUJFWSA-N 0 0 292.448 3.227 10 30 CGEERN O=C(/C=C1/C(=O)Nc2cc(F)ccc21)c1ccccc1F ZINC000168248174 188648009 /nfs/dbraw/zinc/64/80/09/188648009.db2.gz VXHDXUBRTQSBAX-XYOKQWHBSA-N 0 0 285.249 3.183 10 30 CGEERN C=CCCC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000173946615 188876336 /nfs/dbraw/zinc/87/63/36/188876336.db2.gz UFLZPNPVGDXPBR-CYBMUJFWSA-N 0 0 269.348 3.016 10 30 CGEERN N#Cc1ccc(N[C@H]2CCN(c3ccccc3)C2)cc1 ZINC000106474156 138354780 /nfs/dbraw/zinc/35/47/80/138354780.db2.gz JBDABESZISZLFB-INIZCTEOSA-N 0 0 263.344 3.249 10 30 CGEERN Cc1ccc(C#N)cc1NC(=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000117634847 138366374 /nfs/dbraw/zinc/36/63/74/138366374.db2.gz OTZCSSMRCWLGFP-SJCJKPOMSA-N 0 0 292.338 3.370 10 30 CGEERN CCc1ccc([C@@H]2CCCCN2C(=O)c2cc(C#N)c[nH]2)o1 ZINC000175778342 188966435 /nfs/dbraw/zinc/96/64/35/188966435.db2.gz CNNWZMDVYMNZJK-HNNXBMFYSA-N 0 0 297.358 3.409 10 30 CGEERN CC[S@](=O)[C@@H]1CCC[C@@H](Nc2ccc(C#N)cc2)C1 ZINC000301519255 201044198 /nfs/dbraw/zinc/04/41/98/201044198.db2.gz CTDNKZSBSRFFCV-CLCXKQKWSA-N 0 0 276.405 3.050 10 30 CGEERN Cc1cc(N2CC[C@@H](C)C[C@H](C)C2)c(C#N)c(C)n1 ZINC000301773009 201187636 /nfs/dbraw/zinc/18/76/36/201187636.db2.gz MDCASZKWACGPJY-NEPJUHHUSA-N 0 0 257.381 3.443 10 30 CGEERN CCSC[C@H](C)N(C)c1ccc(C#N)cc1F ZINC000301750835 201175699 /nfs/dbraw/zinc/17/56/99/201175699.db2.gz UQRBUSNQGOMHMG-JTQLQIEISA-N 0 0 252.358 3.275 10 30 CGEERN Cc1nc(CNc2ccc(F)cc2C#N)c(C)s1 ZINC000301833042 201225103 /nfs/dbraw/zinc/22/51/03/201225103.db2.gz JOCPAZCWEYOTKN-UHFFFAOYSA-N 0 0 261.325 3.383 10 30 CGEERN N#Cc1cccc(Nc2ccc(NC3CCOCC3)cc2)n1 ZINC000301873403 201243301 /nfs/dbraw/zinc/24/33/01/201243301.db2.gz XMFRHPGBCKJWOH-UHFFFAOYSA-N 0 0 294.358 3.288 10 30 CGEERN Cc1nc2c(c(Oc3ccc(C#N)c(F)c3)n1)CCCC2 ZINC000302056910 201325063 /nfs/dbraw/zinc/32/50/63/201325063.db2.gz QYUZIWUJIXXMSZ-UHFFFAOYSA-N 0 0 283.306 3.467 10 30 CGEERN C=CCN(Cc1ccccc1)C(=O)[C@@H]1CCCO[C@@H]1C ZINC000188514025 189505208 /nfs/dbraw/zinc/50/52/08/189505208.db2.gz IHEIAPRXTZISTE-GDBMZVCRSA-N 0 0 273.376 3.016 10 30 CGEERN C#CCCCCC(=O)NC1CCN(c2cccs2)CC1 ZINC000119988636 370729250 /nfs/dbraw/zinc/72/92/50/370729250.db2.gz FOWRBDBJRQOEPW-UHFFFAOYSA-N 0 0 290.432 3.027 10 30 CGEERN N#Cc1ccc(-c2cc3c(nn2)-c2ccccc2C3=O)cc1 ZINC000013743559 368664957 /nfs/dbraw/zinc/66/49/57/368664957.db2.gz GAYXQEZJMDLSKC-UHFFFAOYSA-N 0 0 283.290 3.227 10 30 CGEERN Cc1ccc(C(=O)CCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000015567258 368697227 /nfs/dbraw/zinc/69/72/27/368697227.db2.gz MQNFQSYOMPESGV-UHFFFAOYSA-N 0 0 292.338 3.468 10 30 CGEERN CC[C@]1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O ZINC000028095115 368880858 /nfs/dbraw/zinc/88/08/58/368880858.db2.gz JZBRJAYYIUVRPT-MRXNPFEDSA-N 0 0 256.301 3.142 10 30 CGEERN CCCCOc1ccc([C@@H](C)N(O)C(C)=O)cc1 ZINC000029570025 368896354 /nfs/dbraw/zinc/89/63/54/368896354.db2.gz BQOAJAIUXPRROV-LLVKDONJSA-N 0 0 251.326 3.164 10 30 CGEERN Cc1cc(Br)ccc1NC[C@@H](C)C#N ZINC000032107780 368924380 /nfs/dbraw/zinc/92/43/80/368924380.db2.gz FCJMBFPYPVWDDP-QMMMGPOBSA-N 0 0 253.143 3.329 10 30 CGEERN CN(C)/C=C/C(=O)/C=C\c1c(F)cccc1Cl ZINC000032252424 368929421 /nfs/dbraw/zinc/92/94/21/368929421.db2.gz IBHIVQJKOJIYEH-NMMTYZSQSA-N 0 0 253.704 3.137 10 30 CGEERN C#Cc1cccc(-c2ccccc2)c1OCOCCOC ZINC000038295372 369145958 /nfs/dbraw/zinc/14/59/58/369145958.db2.gz NJVAAIJCHZUAMO-UHFFFAOYSA-N 0 0 282.339 3.334 10 30 CGEERN CCOC(CCC/N=C/c1ccc2c(c1)OCO2)OCC ZINC000038274293 369146286 /nfs/dbraw/zinc/14/62/86/369146286.db2.gz YOISJQHWGSIMQO-GZTJUZNOSA-N 0 0 293.363 3.014 10 30 CGEERN CC(C)Oc1ccc(CN[C@H]2CCC[C@@H]2C#N)cc1 ZINC000061892087 369610886 /nfs/dbraw/zinc/61/08/86/369610886.db2.gz CJDVZELHVMLSMC-ZBFHGGJFSA-N 0 0 258.365 3.256 10 30 CGEERN CCCOc1cccc(CN[C@H]2CCC[C@@H]2C#N)c1 ZINC000061892699 369611031 /nfs/dbraw/zinc/61/10/31/369611031.db2.gz AHUHGZBNIHFVDV-ZBFHGGJFSA-N 0 0 258.365 3.257 10 30 CGEERN C=CCCO[C@H](C)C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000157925627 372044324 /nfs/dbraw/zinc/04/43/24/372044324.db2.gz MLCYJTKWQVQUMX-MLGOLLRUSA-N 0 0 291.366 3.301 10 30 CGEERN Cn1cc([C@@H]2CCCN2CC#Cc2cccc(Cl)c2)cn1 ZINC000158395986 372067558 /nfs/dbraw/zinc/06/75/58/372067558.db2.gz XOPHLGNAQDGBJJ-KRWDZBQOSA-N 0 0 299.805 3.262 10 30 CGEERN CCc1nccn1[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000171613469 372796211 /nfs/dbraw/zinc/79/62/11/372796211.db2.gz HBELICOODZNNHJ-QGZVFWFLSA-N 0 0 294.402 3.154 10 30 CGEERN C[C@@]12CN(C(=O)Nc3ccc(C#N)cc3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333379574 205272510 /nfs/dbraw/zinc/27/25/10/205272510.db2.gz AQYKZZPAMPNNQP-KKBFJZEXSA-N 0 0 295.386 3.458 10 30 CGEERN CCCN(CC1CCCCC1)c1nccnc1C#N ZINC000301150274 373677660 /nfs/dbraw/zinc/67/76/60/373677660.db2.gz CTLLWPFVZVZMOP-UHFFFAOYSA-N 0 0 258.369 3.145 10 30 CGEERN Cc1ccc(Nc2ccc([N+](=O)[O-])c(C#N)n2)cc1F ZINC000302722806 373940732 /nfs/dbraw/zinc/94/07/32/373940732.db2.gz MEAZAUPHIGAVQK-UHFFFAOYSA-N 0 0 272.239 3.053 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NCc1cscc1Br ZINC000308799760 374180445 /nfs/dbraw/zinc/18/04/45/374180445.db2.gz AAGZWYHWOIQGDA-KWQFWETISA-N 0 0 285.210 3.292 10 30 CGEERN C=C(Br)Cn1ccnc1-c1ccccc1 ZINC000306808723 374138385 /nfs/dbraw/zinc/13/83/85/374138385.db2.gz PXSAXJAUOQSRQO-UHFFFAOYSA-N 0 0 263.138 3.459 10 30 CGEERN CC(C)(C)[C@@H](O)COc1cc(Br)ccc1C#N ZINC000307935821 374154507 /nfs/dbraw/zinc/15/45/07/374154507.db2.gz OGKIFVWRTGCMEK-LBPRGKRZSA-N 0 0 298.180 3.107 10 30 CGEERN Cc1nc(N[C@H]2COc3ccccc32)c(Cl)cc1C#N ZINC000312966093 374297193 /nfs/dbraw/zinc/29/71/93/374297193.db2.gz URCPXTZZRKQOQX-ZDUSSCGKSA-N 0 0 285.734 3.461 10 30 CGEERN CC[C@@H]1CC[C@H](C(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)O1 ZINC000328613507 374370001 /nfs/dbraw/zinc/37/00/01/374370001.db2.gz SFIZQRQNXDECTN-SYQHCUMBSA-N 0 0 283.412 3.352 10 30 CGEERN O=C(C[C@@H]1CCCCC(=O)N1)NC[C@@H]1CCCS1 ZINC000328673503 374376024 /nfs/dbraw/zinc/37/60/24/374376024.db2.gz PGIOJGRPANJPTJ-QWRGUYRKSA-N 0 0 270.398 3.128 10 30 CGEERN O=C(N[C@@H]1CCC(=O)NC12CCC2)c1ccnc(C2CC2)c1 ZINC000328742610 374378809 /nfs/dbraw/zinc/37/88/09/374378809.db2.gz NACQIJYUIQHXPO-CQSZACIVSA-N 0 0 299.374 3.305 10 30 CGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C[C@@H]1CCCCC(=O)N1 ZINC000328771314 374380768 /nfs/dbraw/zinc/38/07/68/374380768.db2.gz GWTJJWKBNRJMTF-WWGRRREGSA-N 0 0 294.395 3.213 10 30 CGEERN Cc1ccnn1-c1ccccc1NC(=O)N1C[C@@H]2CCC[C@H]21 ZINC000329763072 374428414 /nfs/dbraw/zinc/42/84/14/374428414.db2.gz UBICXUPSOBOLHR-DZGCQCFKSA-N 0 0 296.374 3.211 10 30 CGEERN C=C(C)C[C@H](C)C(=O)N[C@@H](CC(=O)OC)c1ccccc1 ZINC000185108186 374589949 /nfs/dbraw/zinc/58/99/49/374589949.db2.gz KIPCDSXDEJCBLY-ZFWWWQNUSA-N 0 0 289.375 3.009 10 30 CGEERN C[C@H](CCC1CC1)Nc1cnn(-c2ncccc2C#N)c1 ZINC000186506305 374865695 /nfs/dbraw/zinc/86/56/95/374865695.db2.gz RBFZPEIREMTDJE-GFCCVEGCSA-N 0 0 281.363 3.130 10 30 CGEERN C#Cc1cccc(N(C(=O)[C@H]2CCCO[C@@H]2C)C(C)C)c1 ZINC000191772670 375661212 /nfs/dbraw/zinc/66/12/12/375661212.db2.gz QSHIMLMIWHVKON-PBHICJAKSA-N 0 0 285.387 3.224 10 30 CGEERN CC1(C)C[C@@H]1c1noc(Cc2ccc(C#N)cc2)n1 ZINC000230996120 376551145 /nfs/dbraw/zinc/55/11/45/376551145.db2.gz UXEVQCOTANRZOW-GFCCVEGCSA-N 0 0 253.305 3.046 10 30 CGEERN CCc1ccccc1CNc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000234134452 376609368 /nfs/dbraw/zinc/60/93/68/376609368.db2.gz HNFLFCGXCHIZEC-UHFFFAOYSA-N 0 0 282.303 3.036 10 30 CGEERN C[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C#N)n2)[C@@H](C)C1 ZINC000235319576 376636826 /nfs/dbraw/zinc/63/68/26/376636826.db2.gz IKUASIRBXSJGHG-OUAUKWLOSA-N 0 0 274.324 3.098 10 30 CGEERN C[C@@H]1CCC[C@@H](CCNc2ccc([N+](=O)[O-])c(C#N)n2)C1 ZINC000235353516 376639562 /nfs/dbraw/zinc/63/95/62/376639562.db2.gz BDLNUAXNTVWQAD-NEPJUHHUSA-N 0 0 288.351 3.490 10 30 CGEERN C[C@H](Nc1ccc(C#N)cc1F)c1cncc(F)c1 ZINC000235516157 376644472 /nfs/dbraw/zinc/64/44/72/376644472.db2.gz OOWCFYMAJYPXEL-VIFPVBQESA-N 0 0 259.259 3.405 10 30 CGEERN CCOC(=O)Cc1c(C#N)ccc(C(F)F)c1CC ZINC000575389343 377897742 /nfs/dbraw/zinc/89/77/42/377897742.db2.gz AKQUQGZOSWTWQH-UHFFFAOYSA-N 0 0 267.275 3.164 10 30 CGEERN CCOC(=O)c1cc(C#N)cc(CC)c1C(F)F ZINC000575389349 377897754 /nfs/dbraw/zinc/89/77/54/377897754.db2.gz BAMWTJYUTYVJKD-UHFFFAOYSA-N 0 0 253.248 3.235 10 30 CGEERN COC(=O)c1cc(F)c(SC(F)(F)F)c(C#N)c1 ZINC000575390741 377899977 /nfs/dbraw/zinc/89/99/77/377899977.db2.gz XAJPJXHFDUKXLN-UHFFFAOYSA-N 0 0 279.214 3.096 10 30 CGEERN COC(=O)Cc1c(F)ccc(SC(F)(F)F)c1C#N ZINC000575390700 377899480 /nfs/dbraw/zinc/89/94/80/377899480.db2.gz RPBUREFIPHZYJG-UHFFFAOYSA-N 0 0 293.241 3.025 10 30 CGEERN CCOC(=O)c1ccc(Cl)c(C#N)c1OC(F)(F)F ZINC000575382838 377892440 /nfs/dbraw/zinc/89/24/40/377892440.db2.gz FSRFAUZWSQGXBQ-UHFFFAOYSA-N 0 0 293.628 3.287 10 30 CGEERN CCOC(=O)c1cc(Cl)c(C#N)c(OC(F)(F)F)c1 ZINC000575382847 377892572 /nfs/dbraw/zinc/89/25/72/377892572.db2.gz GYIWJCCZUPYNQA-UHFFFAOYSA-N 0 0 293.628 3.287 10 30 CGEERN CCOC(=O)c1c(C#N)ccc(Cl)c1C(F)(F)F ZINC000575383225 377893678 /nfs/dbraw/zinc/89/36/78/377893678.db2.gz JZPPWUUNNMFENG-UHFFFAOYSA-N 0 0 277.629 3.407 10 30 CGEERN CCOC(=O)c1cc(C#N)c(C(F)(F)F)cc1Cl ZINC000575383404 377893971 /nfs/dbraw/zinc/89/39/71/377893971.db2.gz SZQAHOBLURZTAY-UHFFFAOYSA-N 0 0 277.629 3.407 10 30 CGEERN CCOC(=O)c1c(Cl)c(C#N)ccc1C(F)(F)F ZINC000575383380 377894041 /nfs/dbraw/zinc/89/40/41/377894041.db2.gz RUSTVFCAILAXEI-UHFFFAOYSA-N 0 0 277.629 3.407 10 30 CGEERN COC(=O)Cc1cc(SC(F)(F)F)c(F)cc1C#N ZINC000575390685 377899821 /nfs/dbraw/zinc/89/98/21/377899821.db2.gz PXOGICBMMYFMQN-UHFFFAOYSA-N 0 0 293.241 3.025 10 30 CGEERN CCOC(=O)Cc1cc(C(F)(F)F)c(CC)cc1C#N ZINC000575389595 377897538 /nfs/dbraw/zinc/89/75/38/377897538.db2.gz LMNBQSBANJLEKG-UHFFFAOYSA-N 0 0 285.265 3.245 10 30 CGEERN CCOC(=O)c1cc(C#N)cc(C(F)(F)F)c1CC ZINC000575389540 377897567 /nfs/dbraw/zinc/89/75/67/377897567.db2.gz HGDDHFXDIXAZBU-UHFFFAOYSA-N 0 0 271.238 3.316 10 30 CGEERN C/C=C/C(=O)c1cccc(C)c1I ZINC000575579843 377919191 /nfs/dbraw/zinc/91/91/91/377919191.db2.gz OSZQQEAZCTZULF-HWKANZROSA-N 0 0 286.112 3.358 10 30 CGEERN N#CCc1cc(OC(F)F)cc(OC(F)(F)F)c1C#N ZINC000575639011 377924409 /nfs/dbraw/zinc/92/44/09/377924409.db2.gz FTFMEQLQYUKRGF-UHFFFAOYSA-N 0 0 292.163 3.124 10 30 CGEERN CCOc1cc(OCC)c(OC(F)F)cc1CC#N ZINC000575646562 377927144 /nfs/dbraw/zinc/92/71/44/377927144.db2.gz DEKUAEFZKADEGT-UHFFFAOYSA-N 0 0 271.263 3.151 10 30 CGEERN CCOc1cc(OCC)c(CC#N)c(C(F)F)c1 ZINC000575651443 377928237 /nfs/dbraw/zinc/92/82/37/377928237.db2.gz YZQSMMDGIANMCY-UHFFFAOYSA-N 0 0 255.264 3.488 10 30 CGEERN CCc1ccc(CC)c(C#N)c1I ZINC000575652071 377929511 /nfs/dbraw/zinc/92/95/11/377929511.db2.gz KKEHDLSVRGBVII-UHFFFAOYSA-N 0 0 285.128 3.288 10 30 CGEERN Cc1cc(C#N)c(OC(F)F)c(OC(F)(F)F)c1 ZINC000575664589 377940836 /nfs/dbraw/zinc/94/08/36/377940836.db2.gz IQQAZTGBUBELTQ-UHFFFAOYSA-N 0 0 267.153 3.367 10 30 CGEERN Cc1cc(OC(F)F)c(Br)cc1C#N ZINC000575682988 377956706 /nfs/dbraw/zinc/95/67/06/377956706.db2.gz JGLGEIZFUJPBFA-UHFFFAOYSA-N 0 0 262.053 3.231 10 30 CGEERN COc1cc(CC#N)c(C(F)(F)F)cc1OC(F)F ZINC000575666657 377944442 /nfs/dbraw/zinc/94/44/42/377944442.db2.gz YBTMYVBGXHSZGI-UHFFFAOYSA-N 0 0 281.180 3.381 10 30 CGEERN N#CCc1c(OC(F)F)ccc([N+](=O)[O-])c1C(F)(F)F ZINC000575668123 377945414 /nfs/dbraw/zinc/94/54/14/377945414.db2.gz UIMSFQPVTMJEGH-UHFFFAOYSA-N 0 0 296.151 3.281 10 30 CGEERN CCOC(=O)c1cc(C#N)c(C(F)(F)F)cc1OCC ZINC000575671615 377947086 /nfs/dbraw/zinc/94/70/86/377947086.db2.gz VKRGYQFVPKEUCJ-UHFFFAOYSA-N 0 0 287.237 3.152 10 30 CGEERN Cc1ccc(OC(F)F)c(Br)c1C#N ZINC000575682814 377957149 /nfs/dbraw/zinc/95/71/49/377957149.db2.gz CXACCKCUKWPPSN-UHFFFAOYSA-N 0 0 262.053 3.231 10 30 CGEERN N#CCc1cc(F)c(Br)c(OC(F)F)c1 ZINC000575680053 377953826 /nfs/dbraw/zinc/95/38/26/377953826.db2.gz JNGSCPBXHIOQSM-UHFFFAOYSA-N 0 0 280.043 3.256 10 30 CGEERN CCOc1ccc(OCC)c(CC#N)c1Br ZINC000575680625 377954924 /nfs/dbraw/zinc/95/49/24/377954924.db2.gz GSFVADXZVPBZJM-UHFFFAOYSA-N 0 0 284.153 3.313 10 30 CGEERN N#CCc1cc(Br)c(C(F)F)cc1O ZINC000575685407 377960349 /nfs/dbraw/zinc/96/03/49/377960349.db2.gz KJAFQYMAQHDCHR-UHFFFAOYSA-N 0 0 262.053 3.158 10 30 CGEERN N#Cc1cc(Br)c(C(F)(F)F)cc1F ZINC000575688691 377964352 /nfs/dbraw/zinc/96/43/52/377964352.db2.gz MVSBXTOSRVIDOJ-UHFFFAOYSA-N 0 0 268.007 3.479 10 30 CGEERN N#CCc1cc(O)cc(C(F)(F)F)c1Br ZINC000575690687 377965550 /nfs/dbraw/zinc/96/55/50/377965550.db2.gz AJQUBQFSDSFETK-UHFFFAOYSA-N 0 0 280.043 3.240 10 30 CGEERN N#Cc1cc(C(F)(F)F)c([N+](=O)[O-])cc1Cl ZINC000575694250 377967891 /nfs/dbraw/zinc/96/78/91/377967891.db2.gz KPCWGIAJCZVYGD-UHFFFAOYSA-N 0 0 250.563 3.139 10 30 CGEERN Oc1cc(F)cc(C(F)(F)F)c1OC(F)(F)F ZINC000575702451 377975763 /nfs/dbraw/zinc/97/57/63/377975763.db2.gz FELAOECZSCHIQO-UHFFFAOYSA-N 0 0 264.096 3.449 10 30 CGEERN CCc1c(I)ccc(C)c1CC#N ZINC000575706536 377977927 /nfs/dbraw/zinc/97/79/27/377977927.db2.gz UBFTYFKMTFZNEG-UHFFFAOYSA-N 0 0 285.128 3.228 10 30 CGEERN CCc1ccc(OC(F)(F)F)c([N+](=O)[O-])c1CC#N ZINC000575706159 377978489 /nfs/dbraw/zinc/97/84/89/377978489.db2.gz MQIMAHYHEZJPPB-UHFFFAOYSA-N 0 0 274.198 3.122 10 30 CGEERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1csc(=O)[nH]1 ZINC000329909792 295380233 /nfs/dbraw/zinc/38/02/33/295380233.db2.gz MTZSXCZOLLGCRT-NKWVEPMBSA-N 0 0 294.298 3.274 10 30 CGEERN Cc1cccc2ncnc(N[C@@H]3CCC[C@@H]3C#N)c12 ZINC000408351023 380005657 /nfs/dbraw/zinc/00/56/57/380005657.db2.gz BECGYQITUTUFJG-VXGBXAGGSA-N 0 0 252.321 3.042 10 30 CGEERN Cc1cccc(CSCC(=O)N[C@H]2CCC[C@@H]2C#N)c1 ZINC000359670929 381360827 /nfs/dbraw/zinc/36/08/27/381360827.db2.gz HGMBMLQKGVJDFC-CABCVRRESA-N 0 0 288.416 3.037 10 30 CGEERN O=C(Nc1nccn1-c1ccccc1)N1CC[C@H]2CCC[C@H]21 ZINC000328713338 542445508 /nfs/dbraw/zinc/44/55/08/542445508.db2.gz BYDCYRCXOVPHAJ-UKRRQHHQSA-N 0 0 296.374 3.292 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)N1CCC=C(c2ccccc2)C1 ZINC000329512096 542446847 /nfs/dbraw/zinc/44/68/47/542446847.db2.gz CGEYGQZRXZOSRZ-DOTOQJQBSA-N 0 0 295.386 3.382 10 30 CGEERN CC(C)(C)c1cnc(NC(=O)COC[C@@H]2CCOC2)s1 ZINC000329786213 542448319 /nfs/dbraw/zinc/44/83/19/542448319.db2.gz XRQOXZAYQVDOJU-SNVBAGLBSA-N 0 0 298.408 3.082 10 30 CGEERN O=C1C=C(Nc2ccccc2)/C(=N/O)c2ccccc21 ZINC000096336721 256839287 /nfs/dbraw/zinc/83/92/87/256839287.db2.gz WFVPDYYEKJKKDE-FBMGVBCBSA-N 0 0 264.284 3.057 10 30 CGEERN N#Cc1cccc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000027839779 391952501 /nfs/dbraw/zinc/95/25/01/391952501.db2.gz ZAJWSJXNPIPCTR-CHWSQXEVSA-N 0 0 296.292 3.409 10 30 CGEERN CC[C@H](C)[C@H](C)C(=O)N1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000366214043 392451570 /nfs/dbraw/zinc/45/15/70/392451570.db2.gz ZSZQYHGJZFAOTB-QBYUYEEZSA-N 0 0 292.423 3.122 10 30 CGEERN CC(C)Cc1ccc([C@@H](C)NC(=O)NC[C@@H](C)C#N)cc1 ZINC000182333240 392744708 /nfs/dbraw/zinc/74/47/08/392744708.db2.gz DVFJFVGMTKZPMR-UONOGXRCSA-N 0 0 287.407 3.405 10 30 CGEERN C=CC[C@H](CO)NC(=O)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000182806191 392749226 /nfs/dbraw/zinc/74/92/26/392749226.db2.gz YDHRVILQQZVGBW-XJKSGUPXSA-N 0 0 290.407 3.107 10 30 CGEERN C#CCCCC(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000192153768 392840861 /nfs/dbraw/zinc/84/08/61/392840861.db2.gz OIVDFZWFKSPBJR-AWEZNQCLSA-N 0 0 271.360 3.209 10 30 CGEERN N#Cc1c2c(ccc1F)[nH]c(=S)n2Cc1ccccc1 ZINC000575465165 393200128 /nfs/dbraw/zinc/20/01/28/393200128.db2.gz BYHFKCZIJAQWFS-UHFFFAOYSA-N 0 0 283.331 3.384 10 30 CGEERN CC(C)(C)OC(=O)C#Cc1cccc(Br)c1F ZINC000675078340 543313485 /nfs/dbraw/zinc/31/34/85/543313485.db2.gz DVBGIOSDLZATJB-UHFFFAOYSA-N 0 0 299.139 3.281 10 30 CGEERN Cc1ccccc1O[C@H](C)C(=O)Nc1ccc(C#N)cc1 ZINC000006302963 170189343 /nfs/dbraw/zinc/18/93/43/170189343.db2.gz ZXUJDPNSDZFJMY-CYBMUJFWSA-N 0 0 280.327 3.273 10 30 CGEERN C=CCNC(=O)/C=C/c1cccc(Cl)c1Cl ZINC000006947480 170258200 /nfs/dbraw/zinc/25/82/00/170258200.db2.gz IDWGVMZCXZPQQO-VOTSOKGWSA-N 0 0 256.132 3.309 10 30 CGEERN C[C@@H]1CCC[C@H](C)N1CC(=O)c1ccc(C#N)cc1 ZINC000009998159 170393926 /nfs/dbraw/zinc/39/39/26/170393926.db2.gz QOUVFMDJMJRGDT-BETUJISGSA-N 0 0 256.349 3.004 10 30 CGEERN CCc1ccc(O[C@@H](C)C#N)c(Br)c1 ZINC000011944501 170459840 /nfs/dbraw/zinc/45/98/40/170459840.db2.gz LABZTFIUSPKLRP-QMMMGPOBSA-N 0 0 254.127 3.302 10 30 CGEERN CCOC(=O)[C@@H](C#N)/C=C/c1ccc(Br)cc1 ZINC000016682091 170709116 /nfs/dbraw/zinc/70/91/16/170709116.db2.gz PEQFGKNXPULIMQ-ZXCPCRMDSA-N 0 0 294.148 3.165 10 30 CGEERN Cc1c(N)cccc1C(=O)N(CCC#N)c1ccccc1 ZINC000019833379 170883282 /nfs/dbraw/zinc/88/32/82/170883282.db2.gz QHYRCVJULVQUTD-UHFFFAOYSA-N 0 0 279.343 3.138 10 30 CGEERN C[C@H]1CCCC[C@H]1OCCC(=O)Nc1ccccc1C#N ZINC000019847353 170896676 /nfs/dbraw/zinc/89/66/76/170896676.db2.gz ZYFFQCGPLNWUNA-XJKSGUPXSA-N 0 0 286.375 3.482 10 30 CGEERN N#Cc1ccc(N2C(=S)N=NC2c2cccs2)cc1 ZINC000020591240 171261412 /nfs/dbraw/zinc/26/14/12/171261412.db2.gz GUENSRIMDNLKEW-UHFFFAOYSA-N 0 0 284.369 3.156 10 30 CGEERN C=C(C)C(=O)NCCc1nc2ccccc2n1CCCC ZINC000035144431 172009846 /nfs/dbraw/zinc/00/98/46/172009846.db2.gz SCIHMEQIPIGKIM-UHFFFAOYSA-N 0 0 285.391 3.071 10 30 CGEERN Cc1cccc(OCc2ccc(C#N)cc2F)c1N ZINC000035283596 172102265 /nfs/dbraw/zinc/10/22/65/172102265.db2.gz RWEQZLIXCLQVLQ-UHFFFAOYSA-N 0 0 256.280 3.167 10 30 CGEERN Cc1n[nH]c(=S)n1N=Cc1ccc(Cl)cc1Cl ZINC000035418101 172190339 /nfs/dbraw/zinc/19/03/39/172190339.db2.gz IJIUGXMEYGGTJC-ACAGNQJTSA-N 0 0 287.175 3.438 10 30 CGEERN C[C@@H](O)c1ccccc1OCc1cc(C#N)ccc1F ZINC000035627041 172305374 /nfs/dbraw/zinc/30/53/74/172305374.db2.gz NJXRSYYPPKRZCX-LLVKDONJSA-N 0 0 271.291 3.330 10 30 CGEERN COc1ccc(Sc2ccc(C#N)cc2N)cc1 ZINC000035675131 172345419 /nfs/dbraw/zinc/34/54/19/172345419.db2.gz ZSCUZMAWOZDJLC-UHFFFAOYSA-N 0 0 256.330 3.300 10 30 CGEERN N#Cc1cccc(NC(=O)c2ccc3c(c2)CCCN3)c1 ZINC000037323123 173123402 /nfs/dbraw/zinc/12/34/02/173123402.db2.gz AFYRCXMVYZXZBP-UHFFFAOYSA-N 0 0 277.327 3.169 10 30 CGEERN N#Cc1ccc(NC(=O)c2ccc(O)cc2)cc1Cl ZINC000037389427 173172287 /nfs/dbraw/zinc/17/22/87/173172287.db2.gz GBKQOUDCINGWDS-UHFFFAOYSA-N 0 0 272.691 3.170 10 30 CGEERN CC(C)(C)C1CCC(C#N)(NC[C@H]2CCCO2)CC1 ZINC000037940031 173879802 /nfs/dbraw/zinc/87/98/02/173879802.db2.gz VKKCVKWXINKCHC-NPCAHTBFSA-N 0 0 264.413 3.254 10 30 CGEERN N#Cc1ccc(Nc2cc(N)ccc2Cl)c([N+](=O)[O-])c1 ZINC000038033844 174032038 /nfs/dbraw/zinc/03/20/38/174032038.db2.gz BIQLWCBZTGQGAF-UHFFFAOYSA-N 0 0 288.694 3.446 10 30 CGEERN COc1ccc(C(=O)[C@@H](C)CC#N)cc1Br ZINC000038052463 174063832 /nfs/dbraw/zinc/06/38/32/174063832.db2.gz CFPMOOCSUOMCSW-QMMMGPOBSA-N 0 0 282.137 3.190 10 30 CGEERN COc1cccc(C=NNc2cc(C)nc3ccccc32)c1 ZINC000038889779 174158958 /nfs/dbraw/zinc/15/89/58/174158958.db2.gz DFNHHKAQOQLGNW-XDHOZWIPSA-N 0 0 291.354 3.420 10 30 CGEERN CCN(C[C@@H](C)C#N)c1ncccc1C(F)(F)F ZINC000042450125 174743114 /nfs/dbraw/zinc/74/31/14/174743114.db2.gz QPJMELYQETXPGY-VIFPVBQESA-N 0 0 257.259 3.086 10 30 CGEERN CC(C)(C#N)C(=O)Nc1c(Cl)cccc1Cl ZINC000044752557 175245709 /nfs/dbraw/zinc/24/57/09/175245709.db2.gz BTUJPZWBSKINSC-UHFFFAOYSA-N 0 0 257.120 3.482 10 30 CGEERN C=C(C)C(=O)c1cc(Br)ccc1OC ZINC000071576368 176203626 /nfs/dbraw/zinc/20/36/26/176203626.db2.gz GVWSGPQBCBFLHR-UHFFFAOYSA-N 0 0 255.111 3.217 10 30 CGEERN Cc1ccnc(-c2noc([C@]3(C#N)CC34CCCC4)n2)c1 ZINC000333815764 228215577 /nfs/dbraw/zinc/21/55/77/228215577.db2.gz IURIRVUNJLBHKM-MRXNPFEDSA-N 0 0 280.331 3.166 10 30 CGEERN C=C(C)CN(C)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000180413606 260101096 /nfs/dbraw/zinc/10/10/96/260101096.db2.gz YNYMKXYAMIRWMQ-MNOVXSKESA-N 0 0 278.318 3.325 10 30 CGEERN C[C@H](CC#N)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000040219112 260138951 /nfs/dbraw/zinc/13/89/51/260138951.db2.gz ZOYPSCMSZOSPKO-GFCCVEGCSA-N 0 0 297.324 3.130 10 30 CGEERN Cc1ccc([C@H](C)NC(=O)C2(C#N)CCCC2)cc1F ZINC000088234400 260229973 /nfs/dbraw/zinc/22/99/73/260229973.db2.gz IRYYOUQRWCTXBF-LBPRGKRZSA-N 0 0 274.339 3.395 10 30 CGEERN N#CCCCN1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000161206161 261240536 /nfs/dbraw/zinc/24/05/36/261240536.db2.gz DSZBBNONJZCZLY-KGLIPLIRSA-N 0 0 298.308 3.117 10 30 CGEERN C=C(C)[C@H](NC(=O)[C@@H]1CC[C@H](C)O1)c1ccc(F)c(F)c1 ZINC000249368533 261250142 /nfs/dbraw/zinc/25/01/42/261250142.db2.gz VUFRZHWLIXNCAI-LKTVYLICSA-N 0 0 295.329 3.266 10 30 CGEERN C[C@H](NC(=O)C[C@@H]1CCCCNC1=O)c1ccccn1 ZINC000328755030 263855394 /nfs/dbraw/zinc/85/53/94/263855394.db2.gz DYYKWCLPXINATH-RYUDHWBXSA-N 0 0 275.352 3.246 10 30 CGEERN COc1ccc([C@H](C)C(=O)N(C2CC2)C2(C#N)CCC2)cc1 ZINC000328892630 263889392 /nfs/dbraw/zinc/88/93/92/263889392.db2.gz TZLFVVKPWSQLIH-ZDUSSCGKSA-N 0 0 298.386 3.236 10 30 CGEERN C#CCCCCC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000180037018 264390432 /nfs/dbraw/zinc/39/04/32/264390432.db2.gz UZUSXJUMMWFEHF-CYBMUJFWSA-N 0 0 276.405 3.390 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000093655694 265188450 /nfs/dbraw/zinc/18/84/50/265188450.db2.gz VVTNDSCTCVLEGW-PLENUKSMSA-N 0 0 286.419 3.401 10 30 CGEERN CCOC(=O)c1cccc(C#Cc2ccccc2)c1 ZINC000002245479 276300268 /nfs/dbraw/zinc/30/02/68/276300268.db2.gz DOIKOLHVWZVBJC-UHFFFAOYSA-N 0 0 250.297 3.263 10 30 CGEERN C[C@@H]1[C@H](C)SCCN1c1c(F)cc(C#N)cc1F ZINC000134771231 278094848 /nfs/dbraw/zinc/09/48/48/278094848.db2.gz QNHYGUKLPJGHIT-BDAKNGLRSA-N 0 0 268.332 3.167 10 30 CGEERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)Nc1ccccc1C#N ZINC000117566308 279138311 /nfs/dbraw/zinc/13/83/11/279138311.db2.gz KNAOUWXEEKZFGE-BZNIZROVSA-N 0 0 278.311 3.061 10 30 CGEERN Cc1ccc(C(=O)NN=c2sc3ccccc3n2C)cc1 ZINC000003203861 280750825 /nfs/dbraw/zinc/75/08/25/280750825.db2.gz XAMNTWQBSKSGME-VLGSPTGOSA-N 0 0 297.383 3.369 10 30 CGEERN CN(C)/N=C/C=C1\CCC/C(=C/c2ccc(F)cc2)C1=O ZINC000003206238 281898222 /nfs/dbraw/zinc/89/82/22/281898222.db2.gz YPGPUEPLJRAHSC-QIBMBWLESA-N 0 0 286.350 3.436 10 30 CGEERN C[C@@]12CCCC[C@@H]1N(C(=O)CC#N)c1ccccc12 ZINC000335949940 289221196 /nfs/dbraw/zinc/22/11/96/289221196.db2.gz WCKUHAOOYNODRR-HOCLYGCPSA-N 0 0 254.333 3.147 10 30 CGEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)NC1CCCCCC1 ZINC000330086007 294608649 /nfs/dbraw/zinc/60/86/49/294608649.db2.gz RSSZBKFFFJUJKL-UKRRQHHQSA-N 0 0 291.395 3.177 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NCc1ccc(C(F)F)cc1 ZINC000150142937 327208341 /nfs/dbraw/zinc/20/83/41/327208341.db2.gz UWRAYWBOVIFHHX-QWHCGFSZSA-N 0 0 250.292 3.406 10 30 CGEERN C=CCc1cc([N+](=O)[O-])ccc1OCc1nccn1CC ZINC000176934879 329179460 /nfs/dbraw/zinc/17/94/60/329179460.db2.gz CQOVSBHXESOGCS-UHFFFAOYSA-N 0 0 287.319 3.119 10 30 CGEERN C[C@@H]1COC[C@@H](C)N1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177288564 329181999 /nfs/dbraw/zinc/18/19/99/329181999.db2.gz WXNJZHKIJBGGKU-CHWSQXEVSA-N 0 0 297.320 3.166 10 30 CGEERN N#CC1(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)CCCC1 ZINC000119027656 329547557 /nfs/dbraw/zinc/54/75/57/329547557.db2.gz HXWLLVLVKULIRM-ZIAGYGMSSA-N 0 0 260.381 3.155 10 30 CGEERN N#CCc1ccc(NC(=O)N[C@@H]2COc3ccccc32)cc1 ZINC000194724228 329688759 /nfs/dbraw/zinc/68/87/59/329688759.db2.gz NYNSAZJWNOKEHE-OAHLLOKOSA-N 0 0 293.326 3.008 10 30 CGEERN C#CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1C[C@@H]1c1ccco1 ZINC000065767659 329758425 /nfs/dbraw/zinc/75/84/25/329758425.db2.gz ZJAULVZOHMXETK-JKSUJKDBSA-N 0 0 297.329 3.184 10 30 CGEERN C=CCC1(C(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)CCC1 ZINC000249655116 329909006 /nfs/dbraw/zinc/90/90/06/329909006.db2.gz VHMNOCUAUKEIPH-BRWVUGGUSA-N 0 0 281.399 3.435 10 30 CGEERN N#C[C@]1(c2ccccc2Br)CCCOC1 ZINC000536949870 330382133 /nfs/dbraw/zinc/38/21/33/330382133.db2.gz GWEDPRUVOIOHAX-GFCCVEGCSA-N 0 0 266.138 3.021 10 30 CGEERN CC(=O)c1nnc(-c2cccc(C#N)c2)cc1C(F)(F)F ZINC000536960473 330384054 /nfs/dbraw/zinc/38/40/54/330384054.db2.gz QMVBEQGPLJDTIZ-UHFFFAOYSA-N 0 0 291.232 3.237 10 30 CGEERN C=CCN(C)C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000153690377 334677087 /nfs/dbraw/zinc/67/70/87/334677087.db2.gz CMRPHTVAPKVYKF-SNVBAGLBSA-N 0 0 297.196 3.338 10 30 CGEERN C[C@@H]1CC[C@@H](C(=O)Nc2sc3c(c2C#N)CCCC3)O1 ZINC000178288987 335424815 /nfs/dbraw/zinc/42/48/15/335424815.db2.gz FHAOXRHVMIZTNC-SKDRFNHKSA-N 0 0 290.388 3.005 10 30 CGEERN C[C@H](C#N)CNC(=O)N[C@H]1c2ccccc2CCC1(C)C ZINC000182734526 335839502 /nfs/dbraw/zinc/83/95/02/335839502.db2.gz OKGOCGASCJBCKV-DOMZBBRYSA-N 0 0 285.391 3.159 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000061889094 501030108 /nfs/dbraw/zinc/03/01/08/501030108.db2.gz YHAYRZPANAJGSS-JQWIXIFHSA-N 0 0 282.265 3.127 10 30 CGEERN C[C@H](NC(=O)c1cc(C#N)cn1C)c1ccc(Cl)cc1 ZINC000176520734 533743821 /nfs/dbraw/zinc/74/38/21/533743821.db2.gz HSUXMCOMRVUGSM-JTQLQIEISA-N 0 0 287.750 3.041 10 30 CGEERN Cc1noc(C2CC2)c1NC(=O)N1CC[C@@H]2CCC[C@@H]21 ZINC000330248198 534385493 /nfs/dbraw/zinc/38/54/93/534385493.db2.gz MCDXPOVHIGJLKG-JQWIXIFHSA-N 0 0 275.352 3.280 10 30 CGEERN N#CCC1CCN(C(=O)N[C@H]2CCC23CCCC3)CC1 ZINC000336124277 534595241 /nfs/dbraw/zinc/59/52/41/534595241.db2.gz VOKUOZIOIZBMCT-AWEZNQCLSA-N 0 0 275.396 3.044 10 30 CGEERN CC[C@@H](C)N(CCOC)c1cccc(Cl)c1C#N ZINC000052908912 522095000 /nfs/dbraw/zinc/09/50/00/522095000.db2.gz FVMKEYLYHNOYEU-LLVKDONJSA-N 0 0 266.772 3.463 10 30 CGEERN Cc1ccc(C#N)c(Oc2ccc3c(c2)OCO3)c1 ZINC000051598401 525993587 /nfs/dbraw/zinc/99/35/87/525993587.db2.gz CUZGEZFRZPFAFL-UHFFFAOYSA-N 0 0 253.257 3.388 10 30 CGEERN Cc1ccc(C#N)cc1Cc1sc(N)nc1C1CC1 ZINC000050436596 525995040 /nfs/dbraw/zinc/99/50/40/525995040.db2.gz SRDPSKTZBQUUJK-UHFFFAOYSA-N 0 0 269.373 3.374 10 30 CGEERN N#C[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000057556757 526499655 /nfs/dbraw/zinc/49/96/55/526499655.db2.gz OHCFOFHYGKWXMU-VIFPVBQESA-N 0 0 269.131 3.122 10 30 CGEERN N#Cc1cc(Sc2nc3ccc(N)cc3s2)ccn1 ZINC000061812847 526576680 /nfs/dbraw/zinc/57/66/80/526576680.db2.gz RDJWZNFTSDUKHZ-UHFFFAOYSA-N 0 0 284.369 3.296 10 30 CGEERN C=C[C@](C)(CCOC)COC(=O)Cc1cccc(F)c1 ZINC000187562380 617709105 /nfs/dbraw/zinc/70/91/05/617709105.db2.gz TWSXJQVZSPVSQL-MRXNPFEDSA-N 0 0 280.339 3.140 10 30 CGEERN CON=Cc1ccc(C(=O)N2CCC[C@H]2c2ccco2)cc1 ZINC000255631724 618769509 /nfs/dbraw/zinc/76/95/09/618769509.db2.gz LIUXRPSDEFPRHE-HNNXBMFYSA-N 0 0 298.342 3.237 10 30 CGEERN C#C[C@H](C)NC(=O)N[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000186019138 625505180 /nfs/dbraw/zinc/50/51/80/625505180.db2.gz DBMZLDBSMWMZSK-KBPBESRZSA-N 0 0 288.391 3.103 10 30 CGEERN C[C@H]([NH2+]Cc1cccc(F)c1[O-])c1ccc(C#N)cc1 ZINC000164968568 622852394 /nfs/dbraw/zinc/85/23/94/622852394.db2.gz GZEJSUQQIACGSO-NSHDSACASA-N 0 0 270.307 3.254 10 30 CGEERN C#CCCCCNC(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000152211793 623633359 /nfs/dbraw/zinc/63/33/59/623633359.db2.gz YVRAHZFZBAYXJE-ZDUSSCGKSA-N 0 0 276.355 3.298 10 30 CGEERN CCOc1cccc([C@@H](CC=O)NC(=O)OC(C)(C)C)c1 ZINC000238302614 624759802 /nfs/dbraw/zinc/75/98/02/624759802.db2.gz RZUHQHTXPGYKOK-CQSZACIVSA-N 0 0 293.363 3.240 10 30 CGEERN N#Cc1c(N)[nH]c(Br)c1C1CCCCC1 ZINC000757170437 630588088 /nfs/dbraw/zinc/58/80/88/630588088.db2.gz FGJJYPLAGCFXIX-UHFFFAOYSA-N 0 0 268.158 3.279 10 30 CGEERN COc1cccc(/C=N/[C@@H]2CCOc3ccccc32)c1O ZINC000022690610 635505253 /nfs/dbraw/zinc/50/52/53/635505253.db2.gz CFNGVJYCAWPNLB-XWAFYUISSA-N 0 0 283.327 3.344 10 30 CGEERN N#Cc1cc(-c2nnc([C@@H]3CCCOC3)o2)ccc1Cl ZINC000886038139 637379503 /nfs/dbraw/zinc/37/95/03/637379503.db2.gz DSQRGOAJSVTQOI-SNVBAGLBSA-N 0 0 289.722 3.156 10 30 CGEERN C=C[C@@](C)(CCOC)COC(=O)Cc1cccc(F)c1 ZINC000187562398 640046825 /nfs/dbraw/zinc/04/68/25/640046825.db2.gz TWSXJQVZSPVSQL-INIZCTEOSA-N 0 0 280.339 3.140 10 30 CGEERN C[C@@H](O)c1cccc(OCc2ccc(C#N)c(F)c2)c1 ZINC000190099438 640224349 /nfs/dbraw/zinc/22/43/49/640224349.db2.gz WPTKKAVWKBURHA-LLVKDONJSA-N 0 0 271.291 3.330 10 30 CGEERN COc1cccc(/C=C\C(=O)c2cc(O)ccc2OC)c1 ZINC000588409662 799690044 /nfs/dbraw/zinc/69/00/44/799690044.db2.gz IDJUSEUHQLAUFS-VURMDHGXSA-N 0 0 284.311 3.306 10 30 CGEERN N#CC1(COC(=O)/C=C\c2ccccc2)CCCC1 ZINC000588411717 799691290 /nfs/dbraw/zinc/69/12/90/799691290.db2.gz WCDRKORDOFCMKF-HJWRWDBZSA-N 0 0 255.317 3.327 10 30 CGEERN CC(C)(CC#N)COC(=O)/C=C\c1cccc(F)c1 ZINC000588467221 926767635 /nfs/dbraw/zinc/76/76/35/926767635.db2.gz ANYYCQVKGLEVDT-SREVYHEPSA-N 0 0 261.296 3.322 10 30 CGEERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N=C2NCCS2)cc1 ZINC000095755644 185026780 /nfs/dbraw/zinc/02/67/80/185026780.db2.gz OZTVENAPWSHGCD-UONOGXRCSA-N 0 0 288.416 3.133 10 30 CGEERN COc1ccc(CCNc2ccc(CC#N)cc2)cc1 ZINC000082712252 178225148 /nfs/dbraw/zinc/22/51/48/178225148.db2.gz WZIHGKQNGJVLHR-UHFFFAOYSA-N 0 0 266.344 3.416 10 30 CGEERN Cc1ccc(S(=O)(=O)OC2CCCCCC2)cc1 ZINC000034173740 344938011 /nfs/dbraw/zinc/93/80/11/344938011.db2.gz CFWILLFZADMKSN-UHFFFAOYSA-N 0 0 268.378 3.423 10 30 CGEERN CCCc1c(O)c(C(C)=O)ccc1OCCCS ZINC000039626568 344960829 /nfs/dbraw/zinc/96/08/29/344960829.db2.gz UDGAJQWUNNCAOH-UHFFFAOYSA-N 0 0 268.378 3.246 10 30 CGEERN CC(C)(c1ccc(O)cc1)c1ccc(OC[C@H]2CO2)cc1 ZINC000034538829 344940181 /nfs/dbraw/zinc/94/01/81/344940181.db2.gz DGUJJOYLOCXENZ-KRWDZBQOSA-N 0 0 284.355 3.496 10 30 CGEERN Cc1ccc(COc2ccccc2OCC=O)cc1 ZINC000035785635 344942748 /nfs/dbraw/zinc/94/27/48/344942748.db2.gz YCPQUKZFPACLPC-UHFFFAOYSA-N 0 0 256.301 3.152 10 30 CGEERN CN(CCC#N)[C@@H](C(=O)NC1CCCCC1)c1ccccc1 ZINC000036067070 282398109 /nfs/dbraw/zinc/39/81/09/282398109.db2.gz UUHUXPRTPGYMOK-QGZVFWFLSA-N 0 0 299.418 3.022 10 30 CGEERN C[C@H](C=O)CCc1cc(F)ccc1Br ZINC000082762836 345723498 /nfs/dbraw/zinc/72/34/98/345723498.db2.gz CSJIKTIAPWJGIT-QMMMGPOBSA-N 0 0 259.118 3.356 10 30 CGEERN CC(C)(C)Oc1cc(CNc2ncccc2C#N)ccn1 ZINC000091674345 345820435 /nfs/dbraw/zinc/82/04/35/345820435.db2.gz LPLOZYPQWHJRRI-UHFFFAOYSA-N 0 0 282.347 3.138 10 30 CGEERN C#CCNc1nc(-c2ccccc2[O-])nc2cc(C)ccc21 ZINC000115196259 345969113 /nfs/dbraw/zinc/96/91/13/345969113.db2.gz PEEJPQSQVXNXEU-UHFFFAOYSA-N 0 0 289.338 3.356 10 30 CGEERN CCc1ccc(N2CCC3(CCC4(CO4)CC3)C2=O)cc1 ZINC000116605797 345978908 /nfs/dbraw/zinc/97/89/08/345978908.db2.gz AHCPSQPNHKREKC-UHFFFAOYSA-N 0 0 285.387 3.315 10 30 CGEERN COc1cc(-c2cnccc2[C@@H](O)C(C)C)ccc1C#N ZINC000117052632 345980816 /nfs/dbraw/zinc/98/08/16/345980816.db2.gz GJQAQUVNFVQWNV-KRWDZBQOSA-N 0 0 282.343 3.318 10 30 CGEERN N#C[C@]1(Br)CCC[C@H](C(F)(F)F)C1 ZINC000127623648 346032883 /nfs/dbraw/zinc/03/28/83/346032883.db2.gz LDXMIOCDYBJSKC-BQBZGAKWSA-N 0 0 256.065 3.396 10 30 CGEERN Cc1cccc(NC[C@H](C)C#N)c1Br ZINC000131722392 346067811 /nfs/dbraw/zinc/06/78/11/346067811.db2.gz ZUOLSNHOBYUAIJ-MRVPVSSYSA-N 0 0 253.143 3.329 10 30 CGEERN COc1cccc(OCc2ccccc2)c1CC=O ZINC000140631818 346105524 /nfs/dbraw/zinc/10/55/24/346105524.db2.gz JIRFLNNTUHHVFK-UHFFFAOYSA-N 0 0 256.301 3.016 10 30 CGEERN C#CC[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000135056498 346085580 /nfs/dbraw/zinc/08/55/80/346085580.db2.gz KBKHXSPSNSUKFR-LLVKDONJSA-N 0 0 273.557 3.333 10 30 CGEERN CN(C)[C@H](C#N)c1ccc(Cl)c(Br)c1 ZINC000137219391 346093028 /nfs/dbraw/zinc/09/30/28/346093028.db2.gz YVUORZMEFUHYSX-SNVBAGLBSA-N 0 0 273.561 3.229 10 30 CGEERN O=CCCCCCCCNC(=O)OCc1ccccc1 ZINC000139140808 346099138 /nfs/dbraw/zinc/09/91/38/346099138.db2.gz QNADSKUHEMLXJP-UHFFFAOYSA-N 0 0 277.364 3.452 10 30 CGEERN N#Cc1cc(C(F)(F)F)cc([N+](=O)[O-])c1Cl ZINC000146241638 346123161 /nfs/dbraw/zinc/12/31/61/346123161.db2.gz RJDCGLAJRXHHGU-UHFFFAOYSA-N 0 0 250.563 3.139 10 30 CGEERN Cc1cc(C)c(N[C@H](C)C#N)c(Br)c1 ZINC000159797959 346168470 /nfs/dbraw/zinc/16/84/70/346168470.db2.gz XEAOYPJENKWOBL-SECBINFHSA-N 0 0 253.143 3.390 10 30 CGEERN CC#CCCC(=O)c1ccccc1Br ZINC000160909670 346173195 /nfs/dbraw/zinc/17/31/95/346173195.db2.gz LVXZWWJWDYWVJJ-UHFFFAOYSA-N 0 0 251.123 3.435 10 30 CGEERN N#Cc1c(Br)cc([N+](=O)[O-])c2ccccc12 ZINC000164569533 346182447 /nfs/dbraw/zinc/18/24/47/346182447.db2.gz HNEUBSQLHQLSBR-UHFFFAOYSA-N 0 0 277.077 3.382 10 30 CGEERN C#CCC(=O)c1cccc(Br)c1Cl ZINC000167715546 346189202 /nfs/dbraw/zinc/18/92/02/346189202.db2.gz KSBYVQOBEFHJPX-UHFFFAOYSA-N 0 0 257.514 3.309 10 30 CGEERN COc1ccc2oc3c(CC#N)cccc3c(=O)c2c1 ZINC000196911052 346277291 /nfs/dbraw/zinc/27/72/91/346277291.db2.gz GLTLJFAPNUFGAN-UHFFFAOYSA-N 0 0 265.268 3.021 10 30 CGEERN C[C@]1(C(=O)C=C(Nc2ccccc2)c2ccccc2)CO1 ZINC000216375164 346290113 /nfs/dbraw/zinc/29/01/13/346290113.db2.gz NNULQOURTPSFCP-FXFXYLOPSA-N 0 0 279.339 3.498 10 30 CGEERN Cc1c(Br)cccc1NC(=O)[C@@H](C)S ZINC000232254058 346325339 /nfs/dbraw/zinc/32/53/39/346325339.db2.gz FMHRFCGSTDDVCF-SSDOTTSWSA-N 0 0 274.183 3.014 10 30 CGEERN N#Cc1cccc2ccc(I)cc12 ZINC000238530996 346349527 /nfs/dbraw/zinc/34/95/27/346349527.db2.gz LYYGLOCEKCPZSI-UHFFFAOYSA-N 0 0 279.080 3.316 10 30 CGEERN Cc1cc2c(nc(C)nc2C=NNc2ccccc2)o1 ZINC000085406449 179054911 /nfs/dbraw/zinc/05/49/11/179054911.db2.gz YNPHGMGRVNVUNT-SXGWCWSVSA-N 0 0 266.304 3.286 10 30 CGEERN C[C@H]1CCC[C@H](c2noc(-c3ccc(C#N)cn3)n2)C1 ZINC000235734264 346337158 /nfs/dbraw/zinc/33/71/58/346337158.db2.gz WUWCOYUAKDHHNP-JQWIXIFHSA-N 0 0 268.320 3.297 10 30 CGEERN CCOC(=O)c1ccc(N=Cc2ccc(C#N)cc2)cc1 ZINC000257354419 346400142 /nfs/dbraw/zinc/40/01/42/346400142.db2.gz XQRRVYPOVBOYIW-UHFFFAOYSA-N 0 0 278.311 3.486 10 30 CGEERN C#C[C@@H](NCC)c1c(C)cccc1Br ZINC000306730764 346457458 /nfs/dbraw/zinc/45/74/58/346457458.db2.gz PVSWUBKMCVFZEU-LLVKDONJSA-N 0 0 252.155 3.041 10 30 CGEERN N#Cc1c(C(F)(F)F)ccc(CO)c1C(F)(F)F ZINC000514260792 346635770 /nfs/dbraw/zinc/63/57/70/346635770.db2.gz CIQLPYKEKLBKTG-UHFFFAOYSA-N 0 0 269.144 3.088 10 30 CGEERN N#CCc1cc(C(F)(F)F)c(O)cc1C(F)(F)F ZINC000514262626 346636364 /nfs/dbraw/zinc/63/63/64/346636364.db2.gz PVBCFTWFVACDAI-UHFFFAOYSA-N 0 0 269.144 3.496 10 30 CGEERN N#C[C@@H](c1cncs1)[C@H](CCO)c1c(F)cccc1F ZINC000584639372 346702313 /nfs/dbraw/zinc/70/23/13/346702313.db2.gz WNOVWMLFSCYNGP-VHSXEESVSA-N 0 0 294.326 3.195 10 30 CGEERN N#C[C@@H](c1ccc(F)cc1F)[C@@H](CCO)c1cncs1 ZINC000584639226 346702416 /nfs/dbraw/zinc/70/24/16/346702416.db2.gz DXSPLMHWZJBONM-NEPJUHHUSA-N 0 0 294.326 3.195 10 30 CGEERN CO/N=C1/c2cccc(Br)c2CC1(C)C ZINC000584645453 346703437 /nfs/dbraw/zinc/70/34/37/346703437.db2.gz NMJRDZJHDVHJDO-KAMYIIQDSA-N 0 0 268.154 3.382 10 30 CGEERN C#CCOC[C@@H]1O[C@H]1c1ccc(Cl)cc1Cl ZINC000584657001 346705619 /nfs/dbraw/zinc/70/56/19/346705619.db2.gz RNAXIOGZMCVRPI-RYUDHWBXSA-N 0 0 257.116 3.083 10 30 CGEERN N#CCCNC(=O)[C@@H](c1ccccc1)C1CCCCC1 ZINC000584593894 346686399 /nfs/dbraw/zinc/68/63/99/346686399.db2.gz HTEDUVKCCZITTQ-INIZCTEOSA-N 0 0 270.376 3.380 10 30 CGEERN N#Cc1ccccc1C[C@@H](C#N)c1ccccc1C#N ZINC000584595840 346686914 /nfs/dbraw/zinc/68/69/14/346686914.db2.gz CQTRAEYQGULLTK-INIZCTEOSA-N 0 0 257.296 3.280 10 30 CGEERN CCOC(=O)C[C@H](C#N)c1ccc(CC(C)C)cc1 ZINC000584596756 346687861 /nfs/dbraw/zinc/68/78/61/346687861.db2.gz LQUWDSFJIGQMHF-OAHLLOKOSA-N 0 0 259.349 3.445 10 30 CGEERN C=CCCc1c(O)c(Br)ccc1C(=O)OCC ZINC000584598491 346688399 /nfs/dbraw/zinc/68/83/99/346688399.db2.gz PEUUBSXWATVVJZ-UHFFFAOYSA-N 0 0 299.164 3.450 10 30 CGEERN N#Cc1cc(F)nc(-c2ccc(C(F)(F)F)nc2)c1 ZINC000584613264 346693043 /nfs/dbraw/zinc/69/30/43/346693043.db2.gz WZZRUHFWQVVBFX-UHFFFAOYSA-N 0 0 267.185 3.173 10 30 CGEERN CC1=C2CCCC(=O)[C@]2(c2ccccc2)CCC1=O ZINC000584615888 346693666 /nfs/dbraw/zinc/69/36/66/346693666.db2.gz SGTOHQPJRSCXBT-KRWDZBQOSA-N 0 0 254.329 3.357 10 30 CGEERN CCC[C@@H](O)C#CCCCC(=O)CCCCCC(=O)OC ZINC000584617712 346694464 /nfs/dbraw/zinc/69/44/64/346694464.db2.gz KRIYDRALJZBYFE-OAHLLOKOSA-N 0 0 296.407 3.014 10 30 CGEERN Cc1cc(C)c(C#N)c(C)c1I ZINC000584632114 346699243 /nfs/dbraw/zinc/69/92/43/346699243.db2.gz LIGAXSRDNFLNQO-UHFFFAOYSA-N 0 0 271.101 3.088 10 30 CGEERN N#Cc1ccc(-c2ccnc(Cl)c2[N+](=O)[O-])cc1 ZINC000584633480 346699613 /nfs/dbraw/zinc/69/96/13/346699613.db2.gz QCQXSHSTKBPXRR-UHFFFAOYSA-N 0 0 259.652 3.182 10 30 CGEERN Cc1cnc([C@@H](C)NCc2ccc(C)c(C#N)c2)o1 ZINC000599364703 347739505 /nfs/dbraw/zinc/73/95/05/347739505.db2.gz ZSVPNKGKNXVLTR-GFCCVEGCSA-N 0 0 255.321 3.014 10 30 CGEERN N#CCC1(CN2CCCC[C@@H]2c2nccs2)CC1 ZINC000602768766 348025198 /nfs/dbraw/zinc/02/51/98/348025198.db2.gz ALQABJBCLUSQMQ-GFCCVEGCSA-N 0 0 261.394 3.364 10 30 CGEERN O[C@H]1CCCC[C@@H]1C#Cc1ccc(Br)cc1 ZINC000616581162 348835547 /nfs/dbraw/zinc/83/55/47/348835547.db2.gz IWHNNWQIOUGENP-OCCSQVGLSA-N 0 0 279.177 3.352 10 30 CGEERN COC(=O)N1CCCCC[C@H]1c1cccc(C#N)c1 ZINC000616622324 348848995 /nfs/dbraw/zinc/84/89/95/348848995.db2.gz ARFNYRIGBFOGHL-AWEZNQCLSA-N 0 0 258.321 3.242 10 30 CGEERN CCOC(=O)N1CCC[C@H](c2cccc(C#N)c2)CC1 ZINC000616628941 348851546 /nfs/dbraw/zinc/85/15/46/348851546.db2.gz RLZHDGMQVWTOQF-AWEZNQCLSA-N 0 0 272.348 3.284 10 30 CGEERN COc1cccc(-c2snc(Cl)c2C#N)c1 ZINC000090554801 180003841 /nfs/dbraw/zinc/00/38/41/180003841.db2.gz UXSCYAVUWFQKOS-UHFFFAOYSA-N 0 0 250.710 3.344 10 30 CGEERN C=C[C@H](CC(=O)N[C@@H](C)[C@@H]1CCCO1)c1ccccc1 ZINC000152878479 188049924 /nfs/dbraw/zinc/04/99/24/188049924.db2.gz JSUVABADYOLRBW-LZWOXQAQSA-N 0 0 273.376 3.030 10 30 CGEERN N#Cc1cccc(C(=O)N2CCCC23CCCC3)c1 ZINC000311666165 138584478 /nfs/dbraw/zinc/58/44/78/138584478.db2.gz OQHLGDAJLXUYTL-UHFFFAOYSA-N 0 0 254.333 3.107 10 30 CGEERN CN(C(=O)[C@@H]1CCCCC1(F)F)c1ccc(C#N)cc1 ZINC000297700267 200265225 /nfs/dbraw/zinc/26/52/25/200265225.db2.gz MEEUHECOUNPAEU-ZDUSSCGKSA-N 0 0 278.302 3.347 10 30 CGEERN CCc1ccc([C@@H]2CCCCN2C(=O)c2c[nH]c(C#N)c2)o1 ZINC000181311072 189294086 /nfs/dbraw/zinc/29/40/86/189294086.db2.gz UHXBCBAUKVVIRD-HNNXBMFYSA-N 0 0 297.358 3.409 10 30 CGEERN C[C@@H](Nc1ccc(C#N)nc1)c1ccc(F)c(F)c1 ZINC000301582597 201079678 /nfs/dbraw/zinc/07/96/78/201079678.db2.gz OBJYOIGXBPUIJO-SECBINFHSA-N 0 0 259.259 3.405 10 30 CGEERN CO[C@H](CNc1cc(C)nc(C)c1C#N)c1ccccc1 ZINC000301753772 201177599 /nfs/dbraw/zinc/17/75/99/201177599.db2.gz BZPXRBMFNOYZCB-QGZVFWFLSA-N 0 0 281.359 3.370 10 30 CGEERN Cc1ccc(/C=N/NC(=S)Nc2ccc(C)cc2)o1 ZINC000000498008 368380396 /nfs/dbraw/zinc/38/03/96/368380396.db2.gz QXSRWHZZGSJBNB-OQLLNIDSSA-N 0 0 273.361 3.217 10 30 CGEERN CCn1ncc(C(=O)C=CNc2ccc(F)cc2F)c1C ZINC000002793822 368478640 /nfs/dbraw/zinc/47/86/40/368478640.db2.gz ZZUHLNGROPJWNY-SREVYHEPSA-N 0 0 291.301 3.298 10 30 CGEERN N#CCC(=O)c1ccc(Cl)c(Br)c1 ZINC000014960873 368687444 /nfs/dbraw/zinc/68/74/44/368687444.db2.gz OYXBXLJNOOIBRA-UHFFFAOYSA-N 0 0 258.502 3.199 10 30 CGEERN O=C(c1c[nH]c2ccccc21)[C@H]1O[C@H]1c1ccccc1 ZINC000015016985 368688268 /nfs/dbraw/zinc/68/82/68/368688268.db2.gz AFOMLHLQSZZDNB-DLBZAZTESA-N 0 0 263.296 3.491 10 30 CGEERN C=C(C)CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000122954381 370908676 /nfs/dbraw/zinc/90/86/76/370908676.db2.gz IWECJGJQKBPOJA-SECBINFHSA-N 0 0 288.174 3.453 10 30 CGEERN Cc1ccccc1[C@H](C)NC(=O)c1cccc(C#N)c1 ZINC000023689777 368822943 /nfs/dbraw/zinc/82/29/43/368822943.db2.gz YKWGCTHORDQRLE-ZDUSSCGKSA-N 0 0 264.328 3.358 10 30 CGEERN COc1ccc([C@H](O)/C2=C/C#CCCCCC#C2)cc1 ZINC000027867819 368876559 /nfs/dbraw/zinc/87/65/59/368876559.db2.gz FACKIHDCFSMMMU-SPQRHKFCSA-N 0 0 266.340 3.236 10 30 CGEERN CC(N=Nc1nncc2ccccc21)c1ccco1 ZINC000033943162 368970850 /nfs/dbraw/zinc/97/08/50/368970850.db2.gz BRWZCNHKDDOGEF-YBEGLDIGSA-N 0 0 252.277 3.059 10 30 CGEERN CCn1ncc(C(=O)/C=C\c2cccc(F)c2)c1C ZINC000033523230 368966220 /nfs/dbraw/zinc/96/62/20/368966220.db2.gz SLXQJIROWOPBIZ-FPLPWBNLSA-N 0 0 258.296 3.247 10 30 CGEERN Cc1nc([C@H](C)Nc2ccc([N+](=O)[O-])cc2C#N)cs1 ZINC000037131490 369066670 /nfs/dbraw/zinc/06/66/70/369066670.db2.gz ZTYAZKOUAPPBFS-QMMMGPOBSA-N 0 0 288.332 3.405 10 30 CGEERN CCc1ccc([C@@H](C)Nc2nccnc2C#N)cc1 ZINC000054377576 369501822 /nfs/dbraw/zinc/50/18/22/369501822.db2.gz UXRHOGYSQACRMR-LLVKDONJSA-N 0 0 252.321 3.084 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1ccc(Cl)cc1Cl ZINC000061888356 369609993 /nfs/dbraw/zinc/60/99/93/369609993.db2.gz DXJODVRQHJKFRS-PELKAZGASA-N 0 0 283.158 3.415 10 30 CGEERN N#Cc1cc(Cl)ccc1NCc1cn2c(n1)CCCC2 ZINC000069630348 369766059 /nfs/dbraw/zinc/76/60/59/369766059.db2.gz FLRZSXKXZIQDEX-UHFFFAOYSA-N 0 0 286.766 3.357 10 30 CGEERN CCOC(=O)[C@@H]1CC[C@H](Nc2ccc(C#N)cc2C)C1 ZINC000087493494 370027369 /nfs/dbraw/zinc/02/73/69/370027369.db2.gz UBPOXXITDKYDQN-KGLIPLIRSA-N 0 0 272.348 3.010 10 30 CGEERN COc1ccc([N+](=O)[O-])cc1/N=C/c1ccc(F)cc1 ZINC000100042132 370270398 /nfs/dbraw/zinc/27/03/98/370270398.db2.gz RTKWDRDIRWUROY-CXUHLZMHSA-N 0 0 274.251 3.493 10 30 CGEERN COc1cccc(/C=N\c2cccc([N+](=O)[O-])c2)c1O ZINC000100486521 370279947 /nfs/dbraw/zinc/27/99/47/370279947.db2.gz AEDDSSTZUKYNIG-DHDCSXOGSA-N 0 0 272.260 3.060 10 30 CGEERN C[C@H]1CCC[C@@H](CCNc2ccc([N+](=O)[O-])c(C#N)n2)C1 ZINC000235673899 189829976 /nfs/dbraw/zinc/82/99/76/189829976.db2.gz BDLNUAXNTVWQAD-RYUDHWBXSA-N 0 0 288.351 3.490 10 30 CGEERN C[C@H]1C[C@H]1Nc1cccc(Br)c1C#N ZINC000164993017 372540133 /nfs/dbraw/zinc/54/01/33/372540133.db2.gz WWESQLPSSLBUCO-WRWORJQWSA-N 0 0 251.127 3.141 10 30 CGEERN N#Cc1cccnc1N1CC=C(c2cccs2)CC1 ZINC000301257868 373713969 /nfs/dbraw/zinc/71/39/69/373713969.db2.gz BZYVGPUAZYSNPB-UHFFFAOYSA-N 0 0 267.357 3.308 10 30 CGEERN Cc1cnn(CCCNc2ccc(Cl)cc2C#N)c1 ZINC000301216843 373694648 /nfs/dbraw/zinc/69/46/48/373694648.db2.gz YYBPBHHLLOVIHQ-UHFFFAOYSA-N 0 0 274.755 3.219 10 30 CGEERN CC1(C)C[C@@H](Nc2ccc(C#N)nn2)c2ccccc2O1 ZINC000301926091 373813248 /nfs/dbraw/zinc/81/32/48/373813248.db2.gz GYHDNOFIMVHOOV-CYBMUJFWSA-N 0 0 280.331 3.063 10 30 CGEERN Cc1c(C#N)cccc1NC(=O)N[C@H]1COc2ccccc21 ZINC000178537627 373790973 /nfs/dbraw/zinc/79/09/73/373790973.db2.gz GQFBTXWVJSNPOR-HNNXBMFYSA-N 0 0 293.326 3.122 10 30 CGEERN Cc1ccc(N2CCC[C@@H](c3nccs3)C2)nc1C#N ZINC000302591629 373902441 /nfs/dbraw/zinc/90/24/41/373902441.db2.gz AFTICQTZYLOFSF-GFCCVEGCSA-N 0 0 284.388 3.102 10 30 CGEERN CC(C)CC(C)(C)CNc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000302760643 373954279 /nfs/dbraw/zinc/95/42/79/373954279.db2.gz YBCMCNRPKHVPCI-UHFFFAOYSA-N 0 0 276.340 3.346 10 30 CGEERN Cc1ccc(NC[C@H]2C[C@H]2c2ccccc2)nc1C#N ZINC000302666879 373920132 /nfs/dbraw/zinc/92/01/32/373920132.db2.gz QGZJAXQECPGZQK-CABCVRRESA-N 0 0 263.344 3.477 10 30 CGEERN CC(C)[C@@H]1OCC[C@@H]1CNC(=O)C[C@H]1CCCCC(=O)N1 ZINC000328672333 374374908 /nfs/dbraw/zinc/37/49/08/374374908.db2.gz OCEIKJCAOSGFCH-IOASZLSFSA-N 0 0 296.411 3.293 10 30 CGEERN O=C(N[C@@H]1CCO[C@@H]1C1CC1)[C@H]1CCCc2cccnc21 ZINC000328893888 374391724 /nfs/dbraw/zinc/39/17/24/374391724.db2.gz UQDIQXDMJHPUJO-SQWLQELKSA-N 0 0 286.375 3.026 10 30 CGEERN C=CCOCCCC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000187006997 374955175 /nfs/dbraw/zinc/95/51/75/374955175.db2.gz JJLUFZPMUBUZSL-AWEZNQCLSA-N 0 0 294.420 3.098 10 30 CGEERN CC(C)n1nnnc1CS[C@H](C)c1cccc(C#N)c1 ZINC000190806963 375541328 /nfs/dbraw/zinc/54/13/28/375541328.db2.gz QVJRXXVONBPLCK-LLVKDONJSA-N 0 0 287.392 3.120 10 30 CGEERN O=CC[C@@H](Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000199872687 376124080 /nfs/dbraw/zinc/12/40/80/376124080.db2.gz FMFQSJXKQNFGAZ-HNNXBMFYSA-N 0 0 268.312 3.331 10 30 CGEERN Cc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])c(C#N)n2)cc1 ZINC000235540660 376644333 /nfs/dbraw/zinc/64/43/33/376644333.db2.gz QVTKZEOIQGVZSC-NSHDSACASA-N 0 0 282.303 3.343 10 30 CGEERN C[C@H](CC#N)N(C)C(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000248599030 377362189 /nfs/dbraw/zinc/36/21/89/377362189.db2.gz UDPXIBSPHQKQDO-JHJVBQTASA-N 0 0 250.386 3.209 10 30 CGEERN C[C@H](Nc1ccc(C#N)nc1)c1ccccc1[N+](=O)[O-] ZINC000341001042 377350957 /nfs/dbraw/zinc/35/09/57/377350957.db2.gz XLHKWBQCODBIOZ-JTQLQIEISA-N 0 0 268.276 3.035 10 30 CGEERN C[Si](C)(C)C#Cc1cc2cnccc2cc1[N+](=O)[O-] ZINC000575167345 377757943 /nfs/dbraw/zinc/75/79/43/377757943.db2.gz CIVMEKLGGCRKDT-UHFFFAOYSA-N 0 0 270.364 3.372 10 30 CGEERN COC(=O)Cc1ccc(F)c(C#N)c1SC(F)(F)F ZINC000575390739 377900108 /nfs/dbraw/zinc/90/01/08/377900108.db2.gz WTTIOFAVWYUJDC-UHFFFAOYSA-N 0 0 293.241 3.025 10 30 CGEERN CCOC(=O)c1cc(C#N)c(SC(F)(F)F)cc1F ZINC000575390645 377898702 /nfs/dbraw/zinc/89/87/02/377898702.db2.gz KNODCHVYZPBUGB-UHFFFAOYSA-N 0 0 293.241 3.486 10 30 CGEERN COC(=O)c1ccc(C(F)(F)F)c(C#N)c1C(F)F ZINC000575343759 377883500 /nfs/dbraw/zinc/88/35/00/377883500.db2.gz GSXOMVFEHFOFRV-UHFFFAOYSA-N 0 0 279.164 3.301 10 30 CGEERN COC(=O)c1c(C(F)F)ccc(C#N)c1C(F)(F)F ZINC000575344267 377884489 /nfs/dbraw/zinc/88/44/89/377884489.db2.gz ZMSCBTWDCUNWAM-UHFFFAOYSA-N 0 0 279.164 3.301 10 30 CGEERN COC(=O)c1c(C#N)cc(OC(F)(F)F)cc1C(F)F ZINC000575344244 377885385 /nfs/dbraw/zinc/88/53/85/377885385.db2.gz XXRZYMAXEGHYCW-UHFFFAOYSA-N 0 0 295.163 3.181 10 30 CGEERN COC(=O)c1ccc(C#N)c(SC(F)(F)F)c1F ZINC000575390772 377900435 /nfs/dbraw/zinc/90/04/35/377900435.db2.gz ZOSCCTQISXQYOI-UHFFFAOYSA-N 0 0 279.214 3.096 10 30 CGEERN COC(=O)Cc1c(C#N)c(C(F)(F)F)ccc1C(F)F ZINC000575386988 377894986 /nfs/dbraw/zinc/89/49/86/377894986.db2.gz AVNPYFMUQZBMLQ-UHFFFAOYSA-N 0 0 293.191 3.230 10 30 CGEERN C[C@@H]1CC[C@@](C#N)(NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000575497596 377916320 /nfs/dbraw/zinc/91/63/20/377916320.db2.gz WTEOFZSRQAKERX-UHIISALHSA-N 0 0 252.358 3.230 10 30 CGEERN C[C@@H]1CC[C@](C#N)(NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000575497595 377916461 /nfs/dbraw/zinc/91/64/61/377916461.db2.gz WTEOFZSRQAKERX-SUNKGSAMSA-N 0 0 252.358 3.230 10 30 CGEERN CCOc1cc(CC#N)cc(OC(F)F)c1CC ZINC000575655181 377932637 /nfs/dbraw/zinc/93/26/37/377932637.db2.gz JOUAHCODJGCMGX-UHFFFAOYSA-N 0 0 255.264 3.315 10 30 CGEERN N#Cc1cc(F)c(OC(F)F)cc1C(F)(F)F ZINC000575660160 377936341 /nfs/dbraw/zinc/93/63/41/377936341.db2.gz NUSVRAVRVXLGNR-UHFFFAOYSA-N 0 0 255.117 3.318 10 30 CGEERN N#CCc1ccc(OC(F)F)c(O)c1C(F)(F)F ZINC000575662048 377938843 /nfs/dbraw/zinc/93/88/43/377938843.db2.gz PLVADJRYCXTOFT-UHFFFAOYSA-N 0 0 267.153 3.078 10 30 CGEERN Cc1c(OC(F)F)c(C#N)ccc1C(F)(F)F ZINC000575664346 377939405 /nfs/dbraw/zinc/93/94/05/377939405.db2.gz DXPKEPVGVOECFQ-UHFFFAOYSA-N 0 0 251.154 3.487 10 30 CGEERN Cc1c(OC(F)F)ccc(C#N)c1C(F)(F)F ZINC000575664812 377941175 /nfs/dbraw/zinc/94/11/75/377941175.db2.gz MYQQSCFVIUKVAX-UHFFFAOYSA-N 0 0 251.154 3.487 10 30 CGEERN Cc1cc(Br)cc(OC(F)F)c1CC#N ZINC000575683178 377956720 /nfs/dbraw/zinc/95/67/20/377956720.db2.gz LGFWFYXXQRTJCP-UHFFFAOYSA-N 0 0 276.080 3.425 10 30 CGEERN COc1cc(Br)c(OC(F)F)c(CC#N)c1 ZINC000575682889 377956795 /nfs/dbraw/zinc/95/67/95/377956795.db2.gz FIWFRGJXACJKKS-UHFFFAOYSA-N 0 0 292.079 3.125 10 30 CGEERN N#CCc1cc([N+](=O)[O-])cc(Cl)c1Br ZINC000575677044 377952049 /nfs/dbraw/zinc/95/20/49/377952049.db2.gz GURCXCGTENFLAS-UHFFFAOYSA-N 0 0 275.489 3.077 10 30 CGEERN N#CCc1cc(Br)cc(OC(F)F)c1F ZINC000575680248 377953790 /nfs/dbraw/zinc/95/37/90/377953790.db2.gz KPZSMOHTVHNCJE-UHFFFAOYSA-N 0 0 280.043 3.256 10 30 CGEERN C[C@H]1CCCCC[C@@]1(C#N)NC(=O)OC(C)(C)C ZINC000575496127 377915070 /nfs/dbraw/zinc/91/50/70/377915070.db2.gz DTEYHHOSUMILDR-FZMZJTMJSA-N 0 0 252.358 3.374 10 30 CGEERN COc1cc(Br)cc(OC(F)F)c1CC#N ZINC000575683328 377957796 /nfs/dbraw/zinc/95/77/96/377957796.db2.gz LVVAXURRMJLSCL-UHFFFAOYSA-N 0 0 292.079 3.125 10 30 CGEERN C#CCO/N=C(\C)c1ccc(-c2ccccc2N)cc1 ZINC000584648084 378396262 /nfs/dbraw/zinc/39/62/62/378396262.db2.gz YAXNFJSOHCUUKN-CPNJWEJPSA-N 0 0 264.328 3.310 10 30 CGEERN COc1ccccc1[C@H](C)Nc1ccc(C#N)nc1 ZINC000354049845 380300406 /nfs/dbraw/zinc/30/04/06/380300406.db2.gz RJOVKLAFQCVURV-NSHDSACASA-N 0 0 253.305 3.135 10 30 CGEERN Cc1cc(N[C@@H]2CCOc3ccccc32)cc(C#N)n1 ZINC000308275132 542422499 /nfs/dbraw/zinc/42/24/99/542422499.db2.gz LHIFYRPFKQUSJM-OAHLLOKOSA-N 0 0 265.316 3.197 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1scnc1C1CC1 ZINC000328851512 542445186 /nfs/dbraw/zinc/44/51/86/542445186.db2.gz VDBVTVSLSAGREA-VHSXEESVSA-N 0 0 261.350 3.017 10 30 CGEERN C[C@@H]1OCC[C@H]1NC(=O)Nc1cccc2ccsc21 ZINC000328911808 542445406 /nfs/dbraw/zinc/44/54/06/542445406.db2.gz GURXZHGAYVTCCM-GXSJLCMTSA-N 0 0 276.361 3.405 10 30 CGEERN N#C[C@]1(c2nc([C@H]3CCCS3)no2)CC12CCCC2 ZINC000333229686 260036298 /nfs/dbraw/zinc/03/62/98/260036298.db2.gz XWTDIQQQBMDOBT-YGRLFVJLSA-N 0 0 275.377 3.363 10 30 CGEERN O=CCCc1c(Br)cccc1Br ZINC000095938087 392244396 /nfs/dbraw/zinc/24/43/96/392244396.db2.gz DGDRQCBWVKHZRV-UHFFFAOYSA-N 0 0 291.970 3.343 10 30 CGEERN CC[C@H](C)[C@H](C)C(=O)N1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000366214040 392451240 /nfs/dbraw/zinc/45/12/40/392451240.db2.gz ZSZQYHGJZFAOTB-JKQORVJESA-N 0 0 292.423 3.122 10 30 CGEERN C=C[C@](C)(CC)C(=O)N1CCc2c(nc(C(C)C)n2C)C1 ZINC000135043852 392470112 /nfs/dbraw/zinc/47/01/12/392470112.db2.gz MNKCCEMHGLWZBH-QGZVFWFLSA-N 0 0 289.423 3.031 10 30 CGEERN Cc1cc(OC(C)(C)C=O)ccc1Br ZINC000307162627 392647816 /nfs/dbraw/zinc/64/78/16/392647816.db2.gz LNKWNDPPHUDVCB-UHFFFAOYSA-N 0 0 257.127 3.114 10 30 CGEERN C=C(C)CN(C)C(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000180439848 392709312 /nfs/dbraw/zinc/70/93/12/392709312.db2.gz BDUNVPHZSUYJCF-CVEARBPZSA-N 0 0 273.376 3.189 10 30 CGEERN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](C)c1ccc(C)o1 ZINC000193285081 392874485 /nfs/dbraw/zinc/87/44/85/392874485.db2.gz FUBOLKJYKFLGOJ-UONOGXRCSA-N 0 0 278.396 3.052 10 30 CGEERN C[C@@H]1c2ccsc2CCN1c1ccc(N)cc1C#N ZINC000042740620 134896504 /nfs/dbraw/zinc/89/65/04/134896504.db2.gz YGZCFIHFWVGUMF-SNVBAGLBSA-N 0 0 269.373 3.326 10 30 CGEERN COc1ccc2c(c1)CCC[C@@]2(C#N)NC1CCCC1 ZINC000037968522 286393320 /nfs/dbraw/zinc/39/33/20/286393320.db2.gz PJRHMEJWJUPOAM-KRWDZBQOSA-N 0 0 270.376 3.283 10 30 CGEERN C[C@H]1CC[C@H](C(=O)Nc2cc(C(C)(C)C)sc2C#N)O1 ZINC000091208709 287107041 /nfs/dbraw/zinc/10/70/41/287107041.db2.gz JCMXCODWTURKIG-GXSJLCMTSA-N 0 0 292.404 3.423 10 30 CGEERN COC[C@H](C)Nc1oc(-c2ccc(Cl)cc2)nc1C#N ZINC000004980067 170048755 /nfs/dbraw/zinc/04/87/55/170048755.db2.gz DGGIVTFFWDUKRJ-VIFPVBQESA-N 0 0 291.738 3.313 10 30 CGEERN CCCCCOc1ccc(CN=NC(=S)NCC)cc1 ZINC000005237057 170078211 /nfs/dbraw/zinc/07/82/11/170078211.db2.gz DTRBZFZNGOGESB-SFQUDFHCSA-N 0 0 293.436 3.485 10 30 CGEERN C=CCOc1c(Br)cc(C#N)cc1OCC ZINC000005953435 170161418 /nfs/dbraw/zinc/16/14/18/170161418.db2.gz VRSBYOXXRMPGTD-UHFFFAOYSA-N 0 0 282.137 3.284 10 30 CGEERN Cc1sc(NC(=O)c2ccccc2N)c(C#N)c1C ZINC000010168266 170399611 /nfs/dbraw/zinc/39/96/11/170399611.db2.gz NIWOGZGXWGRLDA-UHFFFAOYSA-N 0 0 271.345 3.071 10 30 CGEERN CN[C@H](C#N)CCOc1ccc(-c2ccccc2)cc1 ZINC000019667108 170834459 /nfs/dbraw/zinc/83/44/59/170834459.db2.gz SHUVEHFIQKHVOI-INIZCTEOSA-N 0 0 266.344 3.234 10 30 CGEERN COc1ccc(SCc2ccccc2/C(N)=N/O)cc1 ZINC000019847836 170896924 /nfs/dbraw/zinc/89/69/24/170896924.db2.gz CBVIPRHYGUQLID-UHFFFAOYSA-N 0 0 288.372 3.082 10 30 CGEERN N#Cc1cccc(Oc2ccc(C=O)cc2[N+](=O)[O-])c1 ZINC000020298749 171138300 /nfs/dbraw/zinc/13/83/00/171138300.db2.gz JNTVKYRJOFTSQW-UHFFFAOYSA-N 0 0 268.228 3.071 10 30 CGEERN C=CCNC(=O)[C@@H](C)Nc1cc(Cl)ccc1Cl ZINC000020313153 171144919 /nfs/dbraw/zinc/14/49/19/171144919.db2.gz LQORIWPANZMSAO-MRVPVSSYSA-N 0 0 273.163 3.096 10 30 CGEERN COC(=O)c1ccc(C=NN=c2[nH]c3ccccc3o2)cc1 ZINC000020805845 171273079 /nfs/dbraw/zinc/27/30/79/171273079.db2.gz KMMHPLBCXRRGDL-LICLKQGHSA-N 0 0 295.298 3.060 10 30 CGEERN C=CCn1c(SCCCC)nnc1C(F)(F)F ZINC000020839956 171275391 /nfs/dbraw/zinc/27/53/91/171275391.db2.gz MMXXMFNAOUZMTH-UHFFFAOYSA-N 0 0 265.304 3.375 10 30 CGEERN O=C1C=C(NC2Cc3ccccc3C2)C[C@@H](c2ccco2)C1 ZINC000021344866 171302910 /nfs/dbraw/zinc/30/29/10/171302910.db2.gz YZWTZZHYKJTIOL-OAHLLOKOSA-N 0 0 293.366 3.367 10 30 CGEERN COC(=O)c1ccc(Oc2ccccc2C#N)cc1 ZINC000034616278 171845753 /nfs/dbraw/zinc/84/57/53/171845753.db2.gz RTDNXFUFRGXMFI-UHFFFAOYSA-N 0 0 253.257 3.137 10 30 CGEERN Cc1ccc(C(C)C)cc1Oc1ncccc1/C(N)=N/O ZINC000038053045 174064594 /nfs/dbraw/zinc/06/45/94/174064594.db2.gz OFBSWLIJYKDBSP-UHFFFAOYSA-N 0 0 285.347 3.400 10 30 CGEERN CC[C@@H](C)N[C@@H](C#N)c1ccccc1OC(F)F ZINC000038064390 174075543 /nfs/dbraw/zinc/07/55/43/174075543.db2.gz RAJNGKCSOOSAJJ-KOLCDFICSA-N 0 0 254.280 3.241 10 30 CGEERN Cc1cc(C(=O)NC2(C#N)CCCCCC2)c(C)o1 ZINC000040221654 174206594 /nfs/dbraw/zinc/20/65/94/174206594.db2.gz KDHQKCXZJLQKJU-UHFFFAOYSA-N 0 0 260.337 3.243 10 30 CGEERN C=CCNc1ncnc(N(CC)c2ccccc2)c1[N+](=O)[O-] ZINC000040573229 174339743 /nfs/dbraw/zinc/33/97/43/174339743.db2.gz HDRKHBKHGXBXAR-UHFFFAOYSA-N 0 0 299.334 3.141 10 30 CGEERN C=CCNc1ncnc(Nc2cc(C)ccc2C)c1N ZINC000040704373 174378953 /nfs/dbraw/zinc/37/89/53/174378953.db2.gz KGOZNHLJFOKIPO-UHFFFAOYSA-N 0 0 269.352 3.017 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000070579212 175994560 /nfs/dbraw/zinc/99/45/60/175994560.db2.gz XIPCFCRDNBYJJT-ZWNOBZJWSA-N 0 0 297.185 3.344 10 30 CGEERN Cn1c2ccc(C#N)cc2nc1-c1cccc(F)c1F ZINC000075901896 176817197 /nfs/dbraw/zinc/81/71/97/176817197.db2.gz LPGWEWZDDQEKEC-UHFFFAOYSA-N 0 0 269.254 3.390 10 30 CGEERN O=C(NC[C@H]1CCCS1)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000330062988 228030953 /nfs/dbraw/zinc/03/09/53/228030953.db2.gz PQEBQUOBZSRJLZ-HZSPNIEDSA-N 0 0 292.404 3.011 10 30 CGEERN C=C(C)CN(C)C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000180448048 260102318 /nfs/dbraw/zinc/10/23/18/260102318.db2.gz KXPFRLDGPYJEQL-NWDGAFQWSA-N 0 0 265.303 3.103 10 30 CGEERN Cc1nc(CCNC(=O)[C@H]2CCC(F)(F)C2)c(C)o1 ZINC000330110152 262381645 /nfs/dbraw/zinc/38/16/45/262381645.db2.gz QFAFHWCCUUFOOI-JTQLQIEISA-N 0 0 272.295 3.226 10 30 CGEERN C=CCN(C)C(=O)N[C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000119574930 263275673 /nfs/dbraw/zinc/27/56/73/263275673.db2.gz LFIUBGHDSDUIAB-WFASDCNBSA-N 0 0 258.365 3.056 10 30 CGEERN CC#CC[N@@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000127730820 264263027 /nfs/dbraw/zinc/26/30/27/264263027.db2.gz ZJIKYAFQAMBKIO-ZDUSSCGKSA-N 0 0 262.422 3.469 10 30 CGEERN CC(C)(C)OC(=O)N1CC[C@]2(CC[C@@H](CS)C2)C1 ZINC000095084649 277194329 /nfs/dbraw/zinc/19/43/29/277194329.db2.gz GBTFOCOZERFEOQ-RISCZKNCSA-N 0 0 271.426 3.344 10 30 CGEERN C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1sccc1C#N ZINC000117569338 280130001 /nfs/dbraw/zinc/13/00/01/280130001.db2.gz LMDMVUYUHADZCI-ZANVPECISA-N 0 0 284.340 3.123 10 30 CGEERN Cc1ccc(S(=O)(=O)O[C@H]2C[C@@H]3C[C@H]2CCC3)cc1 ZINC000004368444 326811496 /nfs/dbraw/zinc/81/14/96/326811496.db2.gz MCBVFWKOSBKWCJ-GUTXKFCHSA-N 0 0 280.389 3.279 10 30 CGEERN N#CCCCCNC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000171732584 329079591 /nfs/dbraw/zinc/07/95/91/329079591.db2.gz VRRIMRNGLQHZPO-GHMZBOCLSA-N 0 0 291.317 3.101 10 30 CGEERN C=CC1CCN(C(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000171833468 329080337 /nfs/dbraw/zinc/08/03/37/329080337.db2.gz YVEPPTWRJJIAPO-HNNXBMFYSA-N 0 0 286.375 3.118 10 30 CGEERN C=CCCCC(=O)NC[C@H]1CCN(C)c2ccccc21 ZINC000175392836 329165322 /nfs/dbraw/zinc/16/53/22/329165322.db2.gz BLZRTGJWZLLLHM-CQSZACIVSA-N 0 0 272.392 3.083 10 30 CGEERN CCCCCCCC(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000178354634 329199076 /nfs/dbraw/zinc/19/90/76/329199076.db2.gz DMNGCPUVSQHQHO-WBVHZDCISA-N 0 0 275.392 3.121 10 30 CGEERN N#CCC(=O)NC[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000184685990 329262104 /nfs/dbraw/zinc/26/21/04/329262104.db2.gz LFBSKFNTGVVGTP-KWQFWETISA-N 0 0 283.158 3.127 10 30 CGEERN N#CCC(=O)NC[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000184685952 329262157 /nfs/dbraw/zinc/26/21/57/329262157.db2.gz LFBSKFNTGVVGTP-KCJUWKMLSA-N 0 0 283.158 3.127 10 30 CGEERN Cc1cccc2nc(C3CCN([C@@H](C)C#N)CC3)oc21 ZINC000189812930 329389132 /nfs/dbraw/zinc/38/91/32/329389132.db2.gz TUIRBVMQUAFQBU-LBPRGKRZSA-N 0 0 269.348 3.228 10 30 CGEERN C=CCN(Cc1cccs1)C(=O)[C@@H]1CCCO[C@H]1C ZINC000191678894 329416781 /nfs/dbraw/zinc/41/67/81/329416781.db2.gz VGAXLAUFBWVQBE-GXTWGEPZSA-N 0 0 279.405 3.078 10 30 CGEERN CCN(C[C@H](C)C#N)C(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000247481916 329881292 /nfs/dbraw/zinc/88/12/92/329881292.db2.gz SVJNRIXXPLSRFV-SNPRPXQTSA-N 0 0 262.397 3.211 10 30 CGEERN CSc1ccc(CN[C@@H]2CCC[C@H]2C#N)s1 ZINC000336719432 335115223 /nfs/dbraw/zinc/11/52/23/335115223.db2.gz YFVKNTDNSRXNLF-GXSJLCMTSA-N 0 0 252.408 3.252 10 30 CGEERN N#C[C@@H]1CCC[C@H]1[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000227871044 333289544 /nfs/dbraw/zinc/28/95/44/333289544.db2.gz QNIKYAQKCOCMHX-NILFDRSVSA-N 0 0 260.768 3.089 10 30 CGEERN CCN(C[C@H](C)C#N)C(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000248593498 334307425 /nfs/dbraw/zinc/30/74/25/334307425.db2.gz SGTQHVWWAPOYLU-MGPQQGTHSA-N 0 0 264.413 3.457 10 30 CGEERN C[C@H]1CC(c2noc(C3(C#N)CCOCC3)n2)C[C@H](C)C1 ZINC000350134954 335493833 /nfs/dbraw/zinc/49/38/33/335493833.db2.gz QDTDMSCUSCNKIX-VXGBXAGGSA-N 0 0 289.379 3.181 10 30 CGEERN C=C(C)C[C@@H](C)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000184917429 518630479 /nfs/dbraw/zinc/63/04/79/518630479.db2.gz CLQUJWULDCMZAC-CHWSQXEVSA-N 0 0 289.375 3.237 10 30 CGEERN CCN(Cc1cccc(C#N)c1)c1ccccc1N ZINC000050453889 521338713 /nfs/dbraw/zinc/33/87/13/521338713.db2.gz JCQLDZUREXPVMF-UHFFFAOYSA-N 0 0 251.333 3.167 10 30 CGEERN COc1cc(C=O)c(-c2ccc(C#N)s2)cc1OC ZINC000050266938 522310951 /nfs/dbraw/zinc/31/09/51/522310951.db2.gz HHSZXPVBMDISEY-UHFFFAOYSA-N 0 0 273.313 3.116 10 30 CGEERN Cc1cnc([C@H](C)NC(=O)N[C@@H]2CC23CCCCC3)o1 ZINC000329259657 534629319 /nfs/dbraw/zinc/62/93/19/534629319.db2.gz YRQKHGSUKLLJMA-NWDGAFQWSA-N 0 0 277.368 3.270 10 30 CGEERN Cc1cc(N(C)Cc2ccccc2F)c(C#N)c(C)n1 ZINC000156556260 525030012 /nfs/dbraw/zinc/03/00/12/525030012.db2.gz AJCYAGPKFILBCH-UHFFFAOYSA-N 0 0 269.323 3.346 10 30 CGEERN Cc1ccccc1NN=Cc1ccc2c(c1)OCO2 ZINC000058823963 525219983 /nfs/dbraw/zinc/21/99/83/525219983.db2.gz GYBOCUZNLUWLSJ-CXUHLZMHSA-N 0 0 254.289 3.170 10 30 CGEERN Cc1cc(NCc2ccc(F)cc2)c(C#N)c(C)n1 ZINC000156538661 525279465 /nfs/dbraw/zinc/27/94/65/525279465.db2.gz MBCPEEXJCYPSIM-UHFFFAOYSA-N 0 0 255.296 3.321 10 30 CGEERN CC(C)(C)Cc1noc([C@@]2(C#N)CC23CCCC3)n1 ZINC000333791214 526277641 /nfs/dbraw/zinc/27/76/41/526277641.db2.gz DJTVIYXVASCAJQ-HNNXBMFYSA-N 0 0 259.353 3.384 10 30 CGEERN Cc1csc(CN[C@H](CC#N)c2ccccc2)n1 ZINC000055017524 526362326 /nfs/dbraw/zinc/36/23/26/526362326.db2.gz YXOOVGRTZOXEEC-CYBMUJFWSA-N 0 0 257.362 3.196 10 30 CGEERN O=C(OCc1ccccc1)N1CCC[C@H](CCS)C1 ZINC000095079020 526426782 /nfs/dbraw/zinc/42/67/82/526426782.db2.gz OADJCBVTQYYKKX-CYBMUJFWSA-N 0 0 279.405 3.355 10 30 CGEERN N#C[C@@H](C(=O)[C@@H]1CCCCO1)c1ccccc1Cl ZINC000050964014 526493778 /nfs/dbraw/zinc/49/37/78/526493778.db2.gz JJPCXSBBOLCFNR-YPMHNXCESA-N 0 0 263.724 3.085 10 30 CGEERN N#CC(C(=O)C1CCOCC1)c1c(F)cccc1Cl ZINC000061672434 526504275 /nfs/dbraw/zinc/50/42/75/526504275.db2.gz RACDIOPTEQPUFM-JTQLQIEISA-N 0 0 281.714 3.082 10 30 CGEERN N#Cc1cc(Sc2ccccc2[N+](=O)[O-])ccn1 ZINC000061815526 526576564 /nfs/dbraw/zinc/57/65/64/526576564.db2.gz FYLFOKRDRDHLJI-UHFFFAOYSA-N 0 0 257.274 3.013 10 30 CGEERN CC1(C)C[C@H]1c1noc([C@@]2(C#N)CC23CCCC3)n1 ZINC000333853235 527767594 /nfs/dbraw/zinc/76/75/94/527767594.db2.gz PXUZLFHQBPXLAW-BONVTDFDSA-N 0 0 257.337 3.309 10 30 CGEERN CC(C)[C@@H]1N(C(=O)N[C@@H]2CCC[C@H]2C#N)CC12CCCC2 ZINC000333679943 528807871 /nfs/dbraw/zinc/80/78/71/528807871.db2.gz ZQSMKYGCMWCDHY-ZNMIVQPWSA-N 0 0 289.423 3.289 10 30 CGEERN C[C@H](C#N)NC(=O)/C=C\c1ccc(C(C)(C)C)cc1 ZINC000255694525 618778232 /nfs/dbraw/zinc/77/82/32/618778232.db2.gz WYFODKQKQLBKGC-MQGYJPLLSA-N 0 0 256.349 3.026 10 30 CGEERN C=C(C)[C@H]1CC=C(COC(=O)[C@H](C)COC)CC1 ZINC000177693609 618835638 /nfs/dbraw/zinc/83/56/38/618835638.db2.gz KEDHCFZIQWPTRP-OCCSQVGLSA-N 0 0 252.354 3.115 10 30 CGEERN CCCCCCCN1CCCC[C@H]1c1nc[nH]n1 ZINC000182740557 619039761 /nfs/dbraw/zinc/03/97/61/619039761.db2.gz LDTVULREYWZMIK-ZDUSSCGKSA-N 0 0 250.390 3.302 10 30 CGEERN CCCCCCCS(=O)(=O)Cc1nccn1C(C)C ZINC000178468116 619210596 /nfs/dbraw/zinc/21/05/96/619210596.db2.gz WKWPPXFHFYKZMI-UHFFFAOYSA-N 0 0 286.441 3.349 10 30 CGEERN N#Cc1ccc(N2CC[C@@]3(O)CCCC[C@H]3C2)c(Cl)c1 ZINC000227373109 623017986 /nfs/dbraw/zinc/01/79/86/623017986.db2.gz RVADURBWGMVZOH-BBRMVZONSA-N 0 0 290.794 3.343 10 30 CGEERN CCCCCCCCC(=O)N[C@H]1CCCC[C@@H]1CO ZINC000230178265 623219052 /nfs/dbraw/zinc/21/90/52/623219052.db2.gz RCZQKZNCIZGPOX-CABCVRRESA-N 0 0 269.429 3.404 10 30 CGEERN C=CCCOC(=O)[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000076872475 623254029 /nfs/dbraw/zinc/25/40/29/623254029.db2.gz DLWXERUDFCMBSW-OLZOCXBDSA-N 0 0 297.395 3.189 10 30 CGEERN C=CCCOC(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000076872471 623254358 /nfs/dbraw/zinc/25/43/58/623254358.db2.gz DLWXERUDFCMBSW-QWHCGFSZSA-N 0 0 297.395 3.189 10 30 CGEERN C=C(C)COC(=O)[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000174021642 623354123 /nfs/dbraw/zinc/35/41/23/623354123.db2.gz NHSUPOHWFIXASE-STQMWFEESA-N 0 0 297.395 3.189 10 30 CGEERN C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H](C)C(C)C ZINC000068565020 624731569 /nfs/dbraw/zinc/73/15/69/624731569.db2.gz YOXBWVMSYJEWEX-CYBMUJFWSA-N 0 0 276.355 3.015 10 30 CGEERN C#C[C@@H](OC(=O)NC1CCCCC1)c1ccccc1 ZINC000757191696 630588426 /nfs/dbraw/zinc/58/84/26/630588426.db2.gz UDPCJEVCPHGKLH-OAHLLOKOSA-N 0 0 257.333 3.420 10 30 CGEERN CCOc1ccccc1[C@@H](C)OC(=O)c1cc(C#N)cn1C ZINC000083766145 640598485 /nfs/dbraw/zinc/59/84/85/640598485.db2.gz HQRLLJUCDAULFY-GFCCVEGCSA-N 0 0 298.342 3.213 10 30 CGEERN CC(C)c1csc(C(C#N)C(=O)[C@@H]2C[C@H]2C2CC2)n1 ZINC000246194797 640663166 /nfs/dbraw/zinc/66/31/66/640663166.db2.gz WFCMIOOQTRQXER-QJPTWQEYSA-N 0 0 274.389 3.489 10 30 CGEERN COc1cccc2cc(C(=O)/C=C\c3cocn3)oc21 ZINC000588561399 799711804 /nfs/dbraw/zinc/71/18/04/799711804.db2.gz HELUANZZUGWSSK-WAYWQWQTSA-N 0 0 269.256 3.326 10 30 CGEERN C#CCCCCC[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000686679104 976114603 /nfs/dbraw/zinc/11/46/03/976114603.db2.gz ZPUHRGYTHWFXSJ-AWEZNQCLSA-N 0 0 265.397 3.003 10 30 CGEERN CCOC(=O)c1cnc2cc(C#N)c(F)cc2c1Cl ZINC000083261939 178375838 /nfs/dbraw/zinc/37/58/38/178375838.db2.gz IDPWOLRLXKIJHC-UHFFFAOYSA-N 0 0 278.670 3.076 10 30 CGEERN C=C(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000005225378 344860954 /nfs/dbraw/zinc/86/09/54/344860954.db2.gz OLSIWJSOIAGQLF-UHFFFAOYSA-N 0 0 274.198 3.128 10 30 CGEERN CCOC(=O)c1ccccc1C#Cc1ccccc1 ZINC000002245480 344857443 /nfs/dbraw/zinc/85/74/43/344857443.db2.gz TYYOIBDIIYAGTE-UHFFFAOYSA-N 0 0 250.297 3.263 10 30 CGEERN O/N=C1/C[C@@H]2CCCC[C@@H]2C[C@@]1(O)c1ccccc1 ZINC000017104539 344887851 /nfs/dbraw/zinc/88/78/51/344887851.db2.gz KMELCHREZIDTNB-UKLJKYROSA-N 0 0 259.349 3.305 10 30 CGEERN C=C(Br)CSc1sc(N)nc1C ZINC000037681565 344952085 /nfs/dbraw/zinc/95/20/85/344952085.db2.gz BGADWAOZOYZNPK-UHFFFAOYSA-N 0 0 265.201 3.034 10 30 CGEERN C[C@H](CC#N)Nc1ccc(I)cc1 ZINC000037871346 344952992 /nfs/dbraw/zinc/95/29/92/344952992.db2.gz DUKRUGVBEKEJGV-MRVPVSSYSA-N 0 0 286.116 3.005 10 30 CGEERN Cc1cccc(NC(=O)c2ccc(C#N)cc2)c1[N+](=O)[O-] ZINC000039023804 344957260 /nfs/dbraw/zinc/95/72/60/344957260.db2.gz ZXVQPWDXZXCDHJ-UHFFFAOYSA-N 0 0 281.271 3.027 10 30 CGEERN C=CCN(CC=C)c1nc(C)nc(Nc2ccccc2)n1 ZINC000034419193 344938965 /nfs/dbraw/zinc/93/89/65/344938965.db2.gz WEHODSHYXCJBMU-UHFFFAOYSA-N 0 0 281.363 3.102 10 30 CGEERN C[C@H](C#N)CNc1cc(Br)ccc1F ZINC000036751841 344944609 /nfs/dbraw/zinc/94/46/09/344944609.db2.gz NQQUOGIZZBCLPY-SSDOTTSWSA-N 0 0 257.106 3.160 10 30 CGEERN Cc1cc(NCCOCCC(C)C)c(C#N)c(C)n1 ZINC000127348303 187298142 /nfs/dbraw/zinc/29/81/42/187298142.db2.gz UGPYMZQBQNULPW-UHFFFAOYSA-N 0 0 261.369 3.045 10 30 CGEERN C[C@H]1C[C@H]1NC(=O)c1ccccc1-c1ccccc1C#N ZINC000075524635 345511527 /nfs/dbraw/zinc/51/15/27/345511527.db2.gz OXVODDUMIQSKBD-YVEFUNNKSA-N 0 0 276.339 3.363 10 30 CGEERN N#Cc1nc(N2C[C@@H]3CC=CC[C@H]3C2)ccc1Cl ZINC000078371217 345604369 /nfs/dbraw/zinc/60/43/69/345604369.db2.gz UTEJFOSKICFNCU-QWRGUYRKSA-N 0 0 259.740 3.009 10 30 CGEERN CCOCCN(C)c1cc(C#N)c2cc(Cl)ccc2n1 ZINC000092962910 345864534 /nfs/dbraw/zinc/86/45/34/345864534.db2.gz HLXJMYFBTKQXPR-UHFFFAOYSA-N 0 0 289.766 3.233 10 30 CGEERN CCOP(=O)(Cc1cccc(C#N)c1)OCC ZINC000116842271 345979662 /nfs/dbraw/zinc/97/96/62/345979662.db2.gz ZPUYDPWWJCNLFT-UHFFFAOYSA-N 0 0 253.238 3.324 10 30 CGEERN COc1cc(-c2cnccc2[C@H](O)C(C)C)ccc1C#N ZINC000117052634 345981137 /nfs/dbraw/zinc/98/11/37/345981137.db2.gz GJQAQUVNFVQWNV-QGZVFWFLSA-N 0 0 282.343 3.318 10 30 CGEERN CC[C@@H](C#N)C(=O)c1ccc(Br)c(C)c1 ZINC000132072816 346070109 /nfs/dbraw/zinc/07/01/09/346070109.db2.gz YBDRPPXGHYNRAE-VIFPVBQESA-N 0 0 266.138 3.490 10 30 CGEERN N#Cc1c(F)cccc1C(=O)c1ccnc(C(F)F)c1 ZINC000143841345 346115315 /nfs/dbraw/zinc/11/53/15/346115315.db2.gz MMRADUIRALQQJF-UHFFFAOYSA-N 0 0 276.217 3.261 10 30 CGEERN C=C(C)[C@H](NN)c1cccc(Br)c1Cl ZINC000158844449 346165597 /nfs/dbraw/zinc/16/55/97/346165597.db2.gz GDKZUHPZIRXQAE-JTQLQIEISA-N 0 0 275.577 3.183 10 30 CGEERN CC#CCC(=O)c1cc(C)ccc1Br ZINC000167879072 346188702 /nfs/dbraw/zinc/18/87/02/346188702.db2.gz QLPGUDYXZMQVPS-UHFFFAOYSA-N 0 0 251.123 3.354 10 30 CGEERN C[C@@H](CO)c1cccc(OCc2ccccc2C#N)c1 ZINC000196396849 346275576 /nfs/dbraw/zinc/27/55/76/346275576.db2.gz MHWRHFSYXPSPLF-ZDUSSCGKSA-N 0 0 267.328 3.233 10 30 CGEERN COc1cc(Cl)cc(Br)c1CC#N ZINC000218073998 346292951 /nfs/dbraw/zinc/29/29/51/346292951.db2.gz LOBZJRNIPDJRJZ-UHFFFAOYSA-N 0 0 260.518 3.177 10 30 CGEERN N#Cc1cccc(OCn2ccc3ccc([N+](=O)[O-])cc32)c1 ZINC000219082817 346294401 /nfs/dbraw/zinc/29/44/01/346294401.db2.gz YFGGHQXRRTWMMY-UHFFFAOYSA-N 0 0 293.282 3.458 10 30 CGEERN CC#CCCC(=O)c1cc(N)cc(Br)c1 ZINC000226771693 346307540 /nfs/dbraw/zinc/30/75/40/346307540.db2.gz XDVZMSRUGDZGJI-UHFFFAOYSA-N 0 0 266.138 3.018 10 30 CGEERN C=C(C)C(=O)Cc1cccc(F)c1Br ZINC000232574686 346326939 /nfs/dbraw/zinc/32/69/39/346326939.db2.gz BZVYBHAXXDTWLH-UHFFFAOYSA-N 0 0 257.102 3.276 10 30 CGEERN CC[C@H](C#N)[C@@H](O)c1cc(Br)c(C)s1 ZINC000227987727 346312886 /nfs/dbraw/zinc/31/28/86/346312886.db2.gz DZIWNDWCJUBDMS-GMSGAONNSA-N 0 0 274.183 3.402 10 30 CGEERN N#C[C@@H]1CCO[C@H]1c1sccc1Br ZINC000228022881 346312968 /nfs/dbraw/zinc/31/29/68/346312968.db2.gz SVZYQCZRPXCRAB-POYBYMJQSA-N 0 0 258.140 3.112 10 30 CGEERN C#C[C@@H](CCC)Nc1cncc(Br)c1 ZINC000230021276 346319343 /nfs/dbraw/zinc/31/93/43/346319343.db2.gz JUPXRTKEKHPVGQ-JTQLQIEISA-N 0 0 253.143 3.058 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NCc1ccc(F)cc1Br ZINC000230686423 346321047 /nfs/dbraw/zinc/32/10/47/346321047.db2.gz KCEGLTYHCVKMTQ-RNCFNFMXSA-N 0 0 297.171 3.370 10 30 CGEERN C#CC(=O)c1ccc(Br)cc1Br ZINC000232457707 346326214 /nfs/dbraw/zinc/32/62/14/346326214.db2.gz QDSJTZJPODHCCK-UHFFFAOYSA-N 0 0 287.938 3.028 10 30 CGEERN C#CCC(=O)Nc1ccc(Cl)cc1Br ZINC000236054450 346339183 /nfs/dbraw/zinc/33/91/83/346339183.db2.gz GKZKPGWPXMWFHU-UHFFFAOYSA-N 0 0 272.529 3.064 10 30 CGEERN COC(=O)c1ccccc1N=Cc1ccc(OC)cc1 ZINC000256091360 346399736 /nfs/dbraw/zinc/39/97/36/346399736.db2.gz VYSXJKIBCGUXTM-UHFFFAOYSA-N 0 0 269.300 3.232 10 30 CGEERN Cc1cc([N+](=O)[O-])c(C#N)cc1NCc1ccccc1 ZINC000306320129 346453032 /nfs/dbraw/zinc/45/30/32/346453032.db2.gz WJYGSTJVHPYOHN-UHFFFAOYSA-N 0 0 267.288 3.387 10 30 CGEERN COc1ccc(/C=C/C(C)=O)c(Br)c1 ZINC000306647546 346456358 /nfs/dbraw/zinc/45/63/58/346456358.db2.gz DIABBOMELUBOEN-ONEGZZNKSA-N 0 0 255.111 3.060 10 30 CGEERN CC[C@@H](S)C(=O)N(Cc1ccccc1)C(C)C ZINC000307254077 346460883 /nfs/dbraw/zinc/46/08/83/346460883.db2.gz WUAYUGLEQDWWJA-CYBMUJFWSA-N 0 0 251.395 3.132 10 30 CGEERN Brc1ccsc1C=Nn1cccc1 ZINC000308284579 346467202 /nfs/dbraw/zinc/46/72/02/346467202.db2.gz ZVXLIQJCJKNITA-UHFFFAOYSA-N 0 0 255.140 3.194 10 30 CGEERN N#C[C@@H]1CCCC[C@@H]1NCc1cnn(Cc2ccccc2)c1 ZINC000390184180 346573765 /nfs/dbraw/zinc/57/37/65/346573765.db2.gz KXCOUMGIPHODLI-ROUUACIJSA-N 0 0 294.402 3.103 10 30 CGEERN CCC[C@](C#N)(c1ccccc1)[C@H](C)C(=O)OCC ZINC000584596633 346687561 /nfs/dbraw/zinc/68/75/61/346687561.db2.gz CJVCKYHIBOYLFX-CZUORRHYSA-N 0 0 259.349 3.447 10 30 CGEERN C=C(C(=O)OC)[C@H](F)c1ccc(Br)cc1 ZINC000584606793 346691229 /nfs/dbraw/zinc/69/12/29/346691229.db2.gz TXHYPEAOWHKSOR-JTQLQIEISA-N 0 0 273.101 3.189 10 30 CGEERN Cc1ccc(C2=C(Cl)C(=O)C=C(Cl)C2=O)cc1 ZINC000584623594 346696406 /nfs/dbraw/zinc/69/64/06/346696406.db2.gz OEYVCFIBCIANRK-UHFFFAOYSA-N 0 0 267.111 3.219 10 30 CGEERN N#C[C@H]1CCCN(c2nc3ccnc(Cl)c3s2)C1 ZINC000584631787 346699261 /nfs/dbraw/zinc/69/92/61/346699261.db2.gz XALUJYXHHICFRO-MRVPVSSYSA-N 0 0 278.768 3.085 10 30 CGEERN N#C[C@@H](c1ccncc1)[C@H](CCO)c1cc(F)ccc1F ZINC000584636898 346701035 /nfs/dbraw/zinc/70/10/35/346701035.db2.gz YBDLKJDZIHNUQF-HIFRSBDPSA-N 0 0 288.297 3.133 10 30 CGEERN N#Cc1cccc([C@@H]2COCCN2Cc2ccccc2)c1 ZINC000616639974 348853407 /nfs/dbraw/zinc/85/34/07/348853407.db2.gz UPPBXCMFMKWYHD-SFHVURJKSA-N 0 0 278.355 3.132 10 30 CGEERN N#Cc1ccccc1[C@@H]1CCc2ccccc2N1C(N)=O ZINC000616668736 348860605 /nfs/dbraw/zinc/86/06/05/348860605.db2.gz FEJKGTODPHLBCC-INIZCTEOSA-N 0 0 277.327 3.131 10 30 CGEERN N#Cc1ccccc1[C@H]1CCc2ccccc2N1CCO ZINC000616669184 348861235 /nfs/dbraw/zinc/86/12/35/348861235.db2.gz MDIDKCOXAWYBTD-GOSISDBHSA-N 0 0 278.355 3.044 10 30 CGEERN CC(=O)N1CCc2ccccc2[C@@H]1c1ccccc1C#N ZINC000616693288 348868607 /nfs/dbraw/zinc/86/86/07/348868607.db2.gz VKPSPMSONAKHFB-GOSISDBHSA-N 0 0 276.339 3.052 10 30 CGEERN CC/C(=N/O)c1cc(Br)cc(C)c1O ZINC000109201402 186245524 /nfs/dbraw/zinc/24/55/24/186245524.db2.gz KEUGIPXILSQIKL-XFXZXTDPSA-N 0 0 258.115 3.051 10 30 CGEERN N#Cc1c(Cl)n(-c2ccccc2)nc1C(F)(F)F ZINC000043464361 283073435 /nfs/dbraw/zinc/07/34/35/283073435.db2.gz CEJBLHFARBAVDX-UHFFFAOYSA-N 0 0 271.629 3.416 10 30 CGEERN N#Cc1cc(F)c(N[C@@H]2COc3ccccc32)c(F)c1 ZINC000111144322 283097532 /nfs/dbraw/zinc/09/75/32/283097532.db2.gz FOLUQRJZNFZXIC-CYBMUJFWSA-N 0 0 272.254 3.382 10 30 CGEERN C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000117649775 138366528 /nfs/dbraw/zinc/36/65/28/138366528.db2.gz VIDSZVZEHCFPID-MGPLVRAMSA-N 0 0 296.301 3.201 10 30 CGEERN Cc1ccc(C#N)c(N2CCC(Cc3ccccn3)CC2)n1 ZINC000193569943 138483412 /nfs/dbraw/zinc/48/34/12/138483412.db2.gz WCIALNSXSASIKK-UHFFFAOYSA-N 0 0 292.386 3.116 10 30 CGEERN Cc1cc(N[C@@H](C)c2ccc3c(c2)OCO3)c(C#N)c(C)n1 ZINC000301778534 201192647 /nfs/dbraw/zinc/19/26/47/201192647.db2.gz MDVZXKQLHIEGQQ-NSHDSACASA-N 0 0 295.342 3.472 10 30 CGEERN CCOc1cc(CNc2cc(C#N)ccc2C(C)=O)ccn1 ZINC000302127707 201353953 /nfs/dbraw/zinc/35/39/53/201353953.db2.gz WYFULTKCBWGBSB-UHFFFAOYSA-N 0 0 295.342 3.167 10 30 CGEERN Cc1ccc(S(=O)(=O)O[C@@H]2CCC[C@@H](C)C2)cc1 ZINC000001640351 368426259 /nfs/dbraw/zinc/42/62/59/368426259.db2.gz DRDLAHAGJXECGB-CHWSQXEVSA-N 0 0 268.378 3.279 10 30 CGEERN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)cc1 ZINC000003568536 368514164 /nfs/dbraw/zinc/51/41/64/368514164.db2.gz HNBGIGBUYIOXGC-UHFFFAOYSA-N 0 0 270.244 3.267 10 30 CGEERN COc1cc(C(=O)/C=C/c2ccccn2)cc(OC)c1OC ZINC000013602098 368659010 /nfs/dbraw/zinc/65/90/10/368659010.db2.gz WQEPARWYXHQCJI-BQYQJAHWSA-N 0 0 299.326 3.004 10 30 CGEERN N#CCc1c(OCc2ccccc2)cccc1[N+](=O)[O-] ZINC000014982976 368687127 /nfs/dbraw/zinc/68/71/27/368687127.db2.gz PZQWVDWHYKSYDC-UHFFFAOYSA-N 0 0 268.272 3.240 10 30 CGEERN CCCCCCCCCCCCOC[C@H](O)CO ZINC000028540497 368886554 /nfs/dbraw/zinc/88/65/54/368886554.db2.gz GBXRUYNQDDTQQS-OAHLLOKOSA-N 0 0 260.418 3.277 10 30 CGEERN ON=C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000034963818 368983780 /nfs/dbraw/zinc/98/37/80/368983780.db2.gz NEYZGNHKERNXME-UHFFFAOYSA-N 0 0 272.270 3.131 10 30 CGEERN Cc1ccc(C(=O)/C=C\c2ccc3c(c2)OCO3)o1 ZINC000033446247 368964902 /nfs/dbraw/zinc/96/49/02/368964902.db2.gz UQXMSWRHUCRNHF-HYXAFXHYSA-N 0 0 256.257 3.213 10 30 CGEERN C=CC[C@@H](C)NC(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000127884825 370958418 /nfs/dbraw/zinc/95/84/18/370958418.db2.gz GVKAXONEKFGZQD-ABAIWWIYSA-N 0 0 276.355 3.467 10 30 CGEERN CCCCOc1ccc(C(=O)N[C@@H]2CCC[C@H]2C#N)cc1 ZINC000061888717 369609807 /nfs/dbraw/zinc/60/98/07/369609807.db2.gz OAXGUUKQWYXXHM-GOEBONIOSA-N 0 0 286.375 3.288 10 30 CGEERN CCCCOc1ccc(C(=O)N[C@H]2CCC[C@H]2C#N)cc1 ZINC000061888718 369609819 /nfs/dbraw/zinc/60/98/19/369609819.db2.gz OAXGUUKQWYXXHM-HOCLYGCPSA-N 0 0 286.375 3.288 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)Nc1cccc(Cl)c1 ZINC000061889359 369611015 /nfs/dbraw/zinc/61/10/15/369611015.db2.gz WSOVRWSMHYIOBU-BXKDBHETSA-N 0 0 263.728 3.154 10 30 CGEERN CCC1CCC(NC(=O)c2cc(C#N)cs2)CC1 ZINC000084076020 370010660 /nfs/dbraw/zinc/01/06/60/370010660.db2.gz ODRCCZSGTPCUGF-UHFFFAOYSA-N 0 0 262.378 3.318 10 30 CGEERN O=C(Nc1cncc2[nH]ccc21)Oc1ccccc1 ZINC000089212920 370039813 /nfs/dbraw/zinc/03/98/13/370039813.db2.gz BRIFJJNDFKCLHI-UHFFFAOYSA-N 0 0 253.261 3.187 10 30 CGEERN C/C=C/C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000095081614 370171037 /nfs/dbraw/zinc/17/10/37/370171037.db2.gz FQMJLARYYSOGTH-QHHAFSJGSA-N 0 0 260.362 3.403 10 30 CGEERN COc1ccc(CN2CCCC[C@H]2c2cn[nH]c2)cc1C#N ZINC000135191704 371400208 /nfs/dbraw/zinc/40/02/08/371400208.db2.gz FXKYDEJCBWJXKJ-INIZCTEOSA-N 0 0 296.374 3.017 10 30 CGEERN Cc1csc(C2CCN(C[C@@H](C#N)CCC#N)CC2)n1 ZINC000157108698 372006782 /nfs/dbraw/zinc/00/67/82/372006782.db2.gz PFBAVSQFTGGFBB-CYBMUJFWSA-N 0 0 288.420 3.074 10 30 CGEERN Cc1ccc([C@@H]2CN(CC#Cc3ccc(F)cc3)CCO2)o1 ZINC000158698477 372081493 /nfs/dbraw/zinc/08/14/93/372081493.db2.gz RDEQSNIRJDHLIR-SFHVURJKSA-N 0 0 299.345 3.152 10 30 CGEERN CC(C)COCCNc1ccc(C#N)cc1Br ZINC000161009933 372294401 /nfs/dbraw/zinc/29/44/01/372294401.db2.gz NFTSQDLZKDOBLV-UHFFFAOYSA-N 0 0 297.196 3.405 10 30 CGEERN C[C@H]1C[C@H]1Nc1ccc(Br)cc1C#N ZINC000163527826 372477391 /nfs/dbraw/zinc/47/73/91/372477391.db2.gz IGLQDYXCACKSJR-WRWORJQWSA-N 0 0 251.127 3.141 10 30 CGEERN N#Cc1ccc(CN2CCC[C@@H](O)c3ccccc32)cc1 ZINC000168585138 372615590 /nfs/dbraw/zinc/61/55/90/372615590.db2.gz HJTKFDXXNWYADG-GOSISDBHSA-N 0 0 278.355 3.392 10 30 CGEERN Cn1cc([C@@H]2CCCN2CC#Cc2ccc(Cl)cc2)cn1 ZINC000177118503 373656488 /nfs/dbraw/zinc/65/64/88/373656488.db2.gz XAAHGWBGJHKMBH-KRWDZBQOSA-N 0 0 299.805 3.262 10 30 CGEERN C#CCSCCNc1ccnc2c(F)cc(F)cc12 ZINC000302505441 373883261 /nfs/dbraw/zinc/88/32/61/373883261.db2.gz MPIOJCFSVBSABO-UHFFFAOYSA-N 0 0 278.327 3.291 10 30 CGEERN CCC[C@@H]1C[C@@H]1NC(=O)C[C@@H]1CCCCC(=O)N1 ZINC000328647480 374373517 /nfs/dbraw/zinc/37/35/17/374373517.db2.gz HYQKJHSXLHOCQT-WOPDTQHZSA-N 0 0 252.358 3.421 10 30 CGEERN O=C(C[C@@H]1CCCCC(=O)N1)N[C@@H]1CC=CCC1 ZINC000328682244 374377161 /nfs/dbraw/zinc/37/71/61/374377161.db2.gz VMERNWAIDBEAST-NEPJUHHUSA-N 0 0 250.342 3.341 10 30 CGEERN CCc1nc2cc(NC(=O)N3C[C@@H]4CCC[C@H]43)ccc2o1 ZINC000329927480 374441977 /nfs/dbraw/zinc/44/19/77/374441977.db2.gz LQSBTDKLQGTMRQ-GXFFZTMASA-N 0 0 285.347 3.420 10 30 CGEERN C=C(C)C[C@@H](C)C(=O)NC1(c2noc(CC)n2)CCCC1 ZINC000185767829 374732178 /nfs/dbraw/zinc/73/21/78/374732178.db2.gz GYGIGGCHJGXMGI-GFCCVEGCSA-N 0 0 291.395 3.120 10 30 CGEERN C=C[C@@](C)(CC)C(=O)N[C@H]1CCOc2ccccc21 ZINC000188177048 375171932 /nfs/dbraw/zinc/17/19/32/375171932.db2.gz NBHMOVHZFQAJOO-BBRMVZONSA-N 0 0 259.349 3.229 10 30 CGEERN C=CCC1(C(=O)N[C@@H](C)COCc2ccccc2)CCC1 ZINC000188357226 375201976 /nfs/dbraw/zinc/20/19/76/375201976.db2.gz JMWXWHSYPKGLOC-HNNXBMFYSA-N 0 0 287.403 3.454 10 30 CGEERN C=CCOc1ccc(COC(=O)[C@@H]2CCCO[C@@H]2C)cc1 ZINC000192294775 375728346 /nfs/dbraw/zinc/72/83/46/375728346.db2.gz FYJWNEVAAGQJTM-CZUORRHYSA-N 0 0 290.359 3.110 10 30 CGEERN Cc1cc(NCCc2ccccc2)c(C#N)c(C)n1 ZINC000211092251 376132259 /nfs/dbraw/zinc/13/22/59/376132259.db2.gz GDYPMZVDUHRDII-UHFFFAOYSA-N 0 0 251.333 3.225 10 30 CGEERN O=[N+]([O-])c1ccc(/C=N/NC(=S)Cc2ccccc2)cc1 ZINC000216048776 376157394 /nfs/dbraw/zinc/15/73/94/376157394.db2.gz ZMIVRQFRVXECMP-LFIBNONCSA-N 0 0 299.355 3.088 10 30 CGEERN O=C(C=C1C=C(C(F)F)Nc2ccccc2N1)C(F)F ZINC000217019937 376171327 /nfs/dbraw/zinc/17/13/27/376171327.db2.gz NBYJJMPHXFSEMQ-VOTSOKGWSA-N 0 0 286.228 3.391 10 30 CGEERN C#CCCCCC(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000245595664 376864103 /nfs/dbraw/zinc/86/41/03/376864103.db2.gz MXPZKVQAXAMDBL-CGTJXYLNSA-N 0 0 267.372 3.025 10 30 CGEERN CCn1ccnc1CSCc1ccc(F)cc1C#N ZINC000083633365 249007070 /nfs/dbraw/zinc/00/70/70/249007070.db2.gz QLHOBNATVGHJFM-UHFFFAOYSA-N 0 0 275.352 3.347 10 30 CGEERN CCOC(=O)c1cc(C#N)c(F)c(SC(F)(F)F)c1 ZINC000575390736 377900021 /nfs/dbraw/zinc/90/00/21/377900021.db2.gz WRKQGTGOFYGMHD-UHFFFAOYSA-N 0 0 293.241 3.486 10 30 CGEERN COC(=O)Cc1cc(C#N)c(F)cc1SC(F)(F)F ZINC000575390722 377900124 /nfs/dbraw/zinc/90/01/24/377900124.db2.gz UQPFNXLTHUCTMS-UHFFFAOYSA-N 0 0 293.241 3.025 10 30 CGEERN COC(=O)c1cc(C(F)F)c(C#N)cc1OC(F)(F)F ZINC000575343699 377883759 /nfs/dbraw/zinc/88/37/59/377883759.db2.gz BUEQSRQVSDYKRV-UHFFFAOYSA-N 0 0 295.163 3.181 10 30 CGEERN CCOC(=O)Cc1cc(Cl)c(C(F)(F)F)cc1C#N ZINC000575383335 377893609 /nfs/dbraw/zinc/89/36/09/377893609.db2.gz PYHKDWCAIJUGFO-UHFFFAOYSA-N 0 0 291.656 3.336 10 30 CGEERN CCOC(=O)c1ccc(Cl)c(C(F)(F)F)c1C#N ZINC000575383085 377893911 /nfs/dbraw/zinc/89/39/11/377893911.db2.gz GBNQCGXCOWKBCM-UHFFFAOYSA-N 0 0 277.629 3.407 10 30 CGEERN COC(=O)c1ccc(C(F)(F)F)c(Cl)c1C#N ZINC000575383542 377895170 /nfs/dbraw/zinc/89/51/70/377895170.db2.gz ZILMKOJFRZVJSY-UHFFFAOYSA-N 0 0 263.602 3.017 10 30 CGEERN CCc1cc(CC#N)cc(OC(F)(F)F)c1C#N ZINC000575647993 377927182 /nfs/dbraw/zinc/92/71/82/377927182.db2.gz LQUHAGQSSKHZBW-UHFFFAOYSA-N 0 0 254.211 3.085 10 30 CGEERN COc1cc(C(F)F)cc(CC#N)c1OC(F)F ZINC000575652262 377929500 /nfs/dbraw/zinc/92/95/00/377929500.db2.gz MPDJEZJBIFVIDQ-UHFFFAOYSA-N 0 0 263.190 3.300 10 30 CGEERN Cc1ccc(C(F)(F)F)c(OC(F)F)c1C#N ZINC000575664349 377939399 /nfs/dbraw/zinc/93/93/99/377939399.db2.gz DXXLRLUHZGZHRW-UHFFFAOYSA-N 0 0 251.154 3.487 10 30 CGEERN N#Cc1cc(C(F)(F)F)c([N+](=O)[O-])cc1OC(F)F ZINC000575665424 377942163 /nfs/dbraw/zinc/94/21/63/377942163.db2.gz FBVILPZRMKURIX-UHFFFAOYSA-N 0 0 282.124 3.087 10 30 CGEERN COc1cc(Br)c(CC#N)cc1OC(F)F ZINC000575683023 377956953 /nfs/dbraw/zinc/95/69/53/377956953.db2.gz GXKGBCWXQWXMJC-UHFFFAOYSA-N 0 0 292.079 3.125 10 30 CGEERN CCOc1cc(OC(F)(F)F)cc(C#N)c1CC ZINC000575671904 377948433 /nfs/dbraw/zinc/94/84/33/377948433.db2.gz RIXVOKQRXPTFTE-UHFFFAOYSA-N 0 0 259.227 3.418 10 30 CGEERN COc1cc(Cl)c(Br)cc1CC#N ZINC000575674215 377949720 /nfs/dbraw/zinc/94/97/20/377949720.db2.gz PDGAIAPOTQDSTE-UHFFFAOYSA-N 0 0 260.518 3.177 10 30 CGEERN N#Cc1cc(OC(F)F)cc(Cl)c1OC(F)F ZINC000575676170 377950485 /nfs/dbraw/zinc/95/04/85/377950485.db2.gz NGFJNUWWFCTUDT-UHFFFAOYSA-N 0 0 269.581 3.414 10 30 CGEERN COC(=O)c1cc(C#N)c(C)cc1SC(F)(F)F ZINC000575394312 377902358 /nfs/dbraw/zinc/90/23/58/377902358.db2.gz CCEOYHVOUJQUGM-UHFFFAOYSA-N 0 0 275.251 3.265 10 30 CGEERN CCOc1ccc(OCC)c(C#N)c1Br ZINC000575680734 377954665 /nfs/dbraw/zinc/95/46/65/377954665.db2.gz IRCLKEJRMHILIL-UHFFFAOYSA-N 0 0 270.126 3.118 10 30 CGEERN N#CCc1cc([N+](=O)[O-])c(C(F)F)cc1Br ZINC000575687912 377963033 /nfs/dbraw/zinc/96/30/33/377963033.db2.gz WMTNHMWNNGQPDI-UHFFFAOYSA-N 0 0 291.051 3.361 10 30 CGEERN N#CCc1c(O)cc(OC(F)(F)F)cc1Br ZINC000575690787 377965430 /nfs/dbraw/zinc/96/54/30/377965430.db2.gz CIFLPWHTDGFZMD-UHFFFAOYSA-N 0 0 296.042 3.119 10 30 CGEERN Cc1ccc(C)c(SCC(=O)N[C@@H]2CCC[C@H]2C#N)c1 ZINC000359681759 381363084 /nfs/dbraw/zinc/36/30/84/381363084.db2.gz UXTLGKGXWGWRCJ-UONOGXRCSA-N 0 0 288.416 3.204 10 30 CGEERN C#CCCCC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000192154957 533019855 /nfs/dbraw/zinc/01/98/55/533019855.db2.gz YDZSKPLSRVEDTL-ZDUSSCGKSA-N 0 0 283.293 3.080 10 30 CGEERN Cc1cnc([C@H](C)NC(=O)CCC2CCOCC2)o1 ZINC000329466103 542447113 /nfs/dbraw/zinc/44/71/13/542447113.db2.gz VWBJYALNUBWRHM-NSHDSACASA-N 0 0 266.341 3.207 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)C1(Cc2ccccc2)CCC1 ZINC000332910241 542451372 /nfs/dbraw/zinc/45/13/72/542451372.db2.gz ISBMRWHKPMBFLQ-CVEARBPZSA-N 0 0 282.387 3.208 10 30 CGEERN C[C@@]12CN(C(=O)Nc3cccc(C#N)c3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333865702 542453510 /nfs/dbraw/zinc/45/35/10/542453510.db2.gz SSGSPDPKXWHCSJ-OAOQPFQOSA-N 0 0 295.386 3.458 10 30 CGEERN C=C(C)CS(=O)(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000189762372 130020338 /nfs/dbraw/zinc/02/03/38/130020338.db2.gz JNUSBKIMVABYIF-IUODEOHRSA-N 0 0 279.405 3.121 10 30 CGEERN C=CCCCC(=O)[C@@H](C)NC(=O)OCc1ccccc1 ZINC000406102220 542628059 /nfs/dbraw/zinc/62/80/59/542628059.db2.gz LIASNWPSCNQPER-CYBMUJFWSA-N 0 0 275.348 3.227 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NCc1ccc(Cl)c(F)c1 ZINC000061892851 392129171 /nfs/dbraw/zinc/12/91/71/392129171.db2.gz RYHVCWOCPSXZCM-GXFFZTMASA-N 0 0 252.720 3.261 10 30 CGEERN Fc1ccc(C#CCN2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000121786734 392415916 /nfs/dbraw/zinc/41/59/16/392415916.db2.gz PDCMAASNQDDRGV-KRWDZBQOSA-N 0 0 283.350 3.128 10 30 CGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C[C@H]1CCCCNC1=O ZINC000329485486 392684151 /nfs/dbraw/zinc/68/41/51/392684151.db2.gz GADZRRUOFMUPAE-NFAWXSAZSA-N 0 0 294.395 3.071 10 30 CGEERN CCC1CCC(NC(=O)c2cccc(CC#N)c2)CC1 ZINC000192559312 392853421 /nfs/dbraw/zinc/85/34/21/392853421.db2.gz GFGRYVQQCIPNAS-UHFFFAOYSA-N 0 0 270.376 3.451 10 30 CGEERN Cc1sc2ncnc(N[C@@H]3CCC[C@@H]3C#N)c2c1C ZINC000408327710 392972386 /nfs/dbraw/zinc/97/23/86/392972386.db2.gz GEYLQEYZBAPBMW-GHMZBOCLSA-N 0 0 272.377 3.412 10 30 CGEERN N#Cc1ccc2cc(C3(Br)CC3)[nH]c2c1 ZINC000616574006 393215474 /nfs/dbraw/zinc/21/54/74/393215474.db2.gz NETVCWFJHVIKBK-UHFFFAOYSA-N 0 0 261.122 3.424 10 30 CGEERN CC(C)[C@@H](C)Nc1nc(C(F)(F)F)ccc1C#N ZINC000078832680 165140433 /nfs/dbraw/zinc/14/04/33/165140433.db2.gz CXNBQNWOOCOHJB-MRVPVSSYSA-N 0 0 257.259 3.428 10 30 CGEERN C=CCNC(=O)/C=C\c1ccc(Cl)c(Cl)c1 ZINC000005846692 170146677 /nfs/dbraw/zinc/14/66/77/170146677.db2.gz UUVYTJHNRXQFOC-XQRVVYSFSA-N 0 0 256.132 3.309 10 30 CGEERN Cc1nc(C#N)c(N=NCc2ccc(C(C)C)cc2)o1 ZINC000006861406 170250647 /nfs/dbraw/zinc/25/06/47/170250647.db2.gz NKQFEAIIWPQXKW-RQZCQDPDSA-N 0 0 268.320 3.424 10 30 CGEERN CC(C)(C)OC(=O)N[C@@H](C#N)Cc1c[nH]c2ccccc12 ZINC000006882756 170252728 /nfs/dbraw/zinc/25/27/28/170252728.db2.gz MNHHXZGOLWLBJG-GFCCVEGCSA-N 0 0 285.347 3.127 10 30 CGEERN COc1cc(/C=N/N(C)c2ccccc2)cc(OC)c1 ZINC000007350746 170278827 /nfs/dbraw/zinc/27/88/27/170278827.db2.gz LLLORKNNBQAVKO-SFQUDFHCSA-N 0 0 270.332 3.174 10 30 CGEERN COc1cccc(C=NNc2ccc(F)cc2)c1OC ZINC000007949031 170308920 /nfs/dbraw/zinc/30/89/20/170308920.db2.gz ANOBLIFRVCCKEQ-LICLKQGHSA-N 0 0 274.295 3.289 10 30 CGEERN N#Cc1ccc(COCc2ccc3c(c2)OCO3)cc1 ZINC000019513066 170821545 /nfs/dbraw/zinc/82/15/45/170821545.db2.gz GXKGSNJTIYEJTF-UHFFFAOYSA-N 0 0 267.284 3.004 10 30 CGEERN N/C(=N/O)c1cccnc1Oc1ccc2ccccc2c1 ZINC000019517770 170823585 /nfs/dbraw/zinc/82/35/85/170823585.db2.gz MMBOCKSTHSZBDZ-UHFFFAOYSA-N 0 0 279.299 3.122 10 30 CGEERN Cc1cc(Br)ccc1NCCCC#N ZINC000020042955 170976676 /nfs/dbraw/zinc/97/66/76/170976676.db2.gz SCONTMCXFLQIIH-UHFFFAOYSA-N 0 0 253.143 3.473 10 30 CGEERN C=CCNC(=O)[C@H](C)Nc1ccccc1-c1ccccc1 ZINC000020359843 171158981 /nfs/dbraw/zinc/15/89/81/171158981.db2.gz IVDWAFUOVOGXSS-AWEZNQCLSA-N 0 0 280.371 3.456 10 30 CGEERN C=CCn1c(C)nnc1SCc1nc2cc(C)ccc2[nH]1 ZINC000020407732 171183332 /nfs/dbraw/zinc/18/33/32/171183332.db2.gz YIRRXBWNGWYMNB-UHFFFAOYSA-N 0 0 299.403 3.250 10 30 CGEERN C=CCn1c(CC)nnc1SCc1ccccc1 ZINC000020425481 171192199 /nfs/dbraw/zinc/19/21/99/171192199.db2.gz SCOURZODYJRJPK-UHFFFAOYSA-N 0 0 259.378 3.319 10 30 CGEERN N/C(CCOc1c(Cl)cc(Cl)cc1Cl)=N\O ZINC000020518852 171233156 /nfs/dbraw/zinc/23/31/56/171233156.db2.gz AJXNEOOVUACSPM-UHFFFAOYSA-N 0 0 283.542 3.162 10 30 CGEERN C=CCn1c(S[C@H](C)CC)nnc1C(F)(F)F ZINC000020840313 171275411 /nfs/dbraw/zinc/27/54/11/171275411.db2.gz VCXKZBUAQGCTPO-SSDOTTSWSA-N 0 0 265.304 3.374 10 30 CGEERN COc1ccc([C@@H](O)/C2=C/C#CCCCCC#C2)cc1 ZINC000027867810 171535206 /nfs/dbraw/zinc/53/52/06/171535206.db2.gz FACKIHDCFSMMMU-KAPURRDVSA-N 0 0 266.340 3.236 10 30 CGEERN C[C@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1ccco1 ZINC000035135139 172002267 /nfs/dbraw/zinc/00/22/67/172002267.db2.gz FBSNLQDIVYIODZ-VIFPVBQESA-N 0 0 257.249 3.233 10 30 CGEERN C[C@@H]1CSC(Nc2ccccc2C(F)(F)F)=N1 ZINC000035294492 172106187 /nfs/dbraw/zinc/10/61/87/172106187.db2.gz BUBOMILYGKZOFF-SSDOTTSWSA-N 0 0 260.284 3.418 10 30 CGEERN COc1ccc(C)cc1[C@H](C#N)C(=O)C1CCCC1 ZINC000037345862 173143487 /nfs/dbraw/zinc/14/34/87/173143487.db2.gz CGDHRFGWVCCCLF-AWEZNQCLSA-N 0 0 257.333 3.370 10 30 CGEERN N#C[C@H](c1ccc2c(c1)CCO2)N1CCCCCC1 ZINC000038086291 174097817 /nfs/dbraw/zinc/09/78/17/174097817.db2.gz KAPSFYZJCZGBEI-OAHLLOKOSA-N 0 0 256.349 3.062 10 30 CGEERN CC(C)/N=C1/OCc2cc(Br)ccc21 ZINC000039126757 174163910 /nfs/dbraw/zinc/16/39/10/174163910.db2.gz GOJGPJZNQIDRMQ-ACCUITESSA-N 0 0 254.127 3.134 10 30 CGEERN CC(C)(C)OC(=O)N1CCC(C=O)(c2ccccc2)CC1 ZINC000039129161 174164522 /nfs/dbraw/zinc/16/45/22/174164522.db2.gz BTKCZXDNMLFMTL-UHFFFAOYSA-N 0 0 289.375 3.154 10 30 CGEERN N#CCc1c2ncn(Cc3ccccc3)c2ccc1[N+](=O)[O-] ZINC000040177413 174202258 /nfs/dbraw/zinc/20/22/58/174202258.db2.gz OCBASMPKQBWCLR-UHFFFAOYSA-N 0 0 292.298 3.059 10 30 CGEERN CCOC(=O)[C@H](C#N)Cc1ccc(Cl)cc1Cl ZINC000040544832 174324108 /nfs/dbraw/zinc/32/41/08/174324108.db2.gz VIDKMJVFYHMDPT-VIFPVBQESA-N 0 0 272.131 3.239 10 30 CGEERN CC[C@H](NC(=O)C1(C#N)CCCC1)c1cccs1 ZINC000044766699 175249338 /nfs/dbraw/zinc/24/93/38/175249338.db2.gz WDWNETDSBKTPLU-NSHDSACASA-N 0 0 262.378 3.399 10 30 CGEERN N#C[C@H](Cc1ccccc1)C(=O)Nc1ccc(F)cc1 ZINC000044810976 175257894 /nfs/dbraw/zinc/25/78/94/175257894.db2.gz HSRRQXZVAKEOGJ-ZDUSSCGKSA-N 0 0 268.291 3.147 10 30 CGEERN C[C@H](Nc1cnc(C#N)cn1)c1ccc(Cl)cc1 ZINC000071177989 176055653 /nfs/dbraw/zinc/05/56/53/176055653.db2.gz KFMRJKFFRWXZBD-VIFPVBQESA-N 0 0 258.712 3.175 10 30 CGEERN CCOC(=O)[C@@H](C#N)Cc1cccc(Cl)c1Cl ZINC000074468351 176566366 /nfs/dbraw/zinc/56/63/66/176566366.db2.gz GSOAUIULIQZAHG-SECBINFHSA-N 0 0 272.131 3.239 10 30 CGEERN N#Cc1sc(N)nc1-c1cc(Br)cs1 ZINC000076497700 177029579 /nfs/dbraw/zinc/02/95/79/177029579.db2.gz PZRUDBIXDPFICH-UHFFFAOYSA-N 0 0 286.179 3.088 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)Cc1c(Cl)cccc1Cl ZINC000335296730 226237743 /nfs/dbraw/zinc/23/77/43/226237743.db2.gz MMCZOTJCBBRSQV-TVQRCGJNSA-N 0 0 297.185 3.344 10 30 CGEERN CSCC#Cc1c[nH]c2cncc(Br)c12 ZINC000725245470 544111848 /nfs/dbraw/zinc/11/18/48/544111848.db2.gz IYWRGEDRPREZLW-UHFFFAOYSA-N 0 0 281.178 3.040 10 30 CGEERN Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)Cc2cc[nH]n2)cc1 ZINC000329950761 227995029 /nfs/dbraw/zinc/99/50/29/227995029.db2.gz MAEBPENLDUIVOP-RDJZCZTQSA-N 0 0 299.374 3.137 10 30 CGEERN O=C(C[C@@H]1CCOC1)N[C@@H]1CCCc2c(O)cccc21 ZINC000330091783 228037284 /nfs/dbraw/zinc/03/72/84/228037284.db2.gz YDBBQDLEPXCGQQ-SMDDNHRTSA-N 0 0 275.348 3.153 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)Nc1ccc2c(c1)CCCC2 ZINC000333725632 228211578 /nfs/dbraw/zinc/21/15/78/228211578.db2.gz VWOIBZWRHRANDF-GOEBONIOSA-N 0 0 283.375 3.379 10 30 CGEERN N#C[C@@H](CCCO[C@H]1CCCCO1)c1cccnc1 ZINC000015042676 260085312 /nfs/dbraw/zinc/08/53/12/260085312.db2.gz WYDBLSJVHSWUNU-HIFRSBDPSA-N 0 0 260.337 3.012 10 30 CGEERN C[C@@H]1C[C@H](C(=O)N[C@@H]2CCC[C@@H]2C#N)CC(C)(C)C1 ZINC000408157859 260315635 /nfs/dbraw/zinc/31/56/35/260315635.db2.gz HEBIZYYZMWNYTI-YIYPIFLZSA-N 0 0 262.397 3.257 10 30 CGEERN Cc1ccccc1[C@H](C)NC(=O)C1(C#N)CCCC1 ZINC000044293150 260644935 /nfs/dbraw/zinc/64/49/35/260644935.db2.gz FGOWFADSLSZUQK-ZDUSSCGKSA-N 0 0 256.349 3.256 10 30 CGEERN C[C@H]1COC[C@H](C)N1Cc1ccccc1C(C)(C)C#N ZINC000135247578 260918730 /nfs/dbraw/zinc/91/87/30/260918730.db2.gz LSBHFCVKZYQQSZ-KBPBESRZSA-N 0 0 272.392 3.097 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NCc1cscc1Br ZINC000308799759 261658919 /nfs/dbraw/zinc/65/89/19/261658919.db2.gz AAGZWYHWOIQGDA-KCJUWKMLSA-N 0 0 285.210 3.292 10 30 CGEERN CC(C)Oc1cccc(CN[C@H]2CCC[C@H]2C#N)c1 ZINC000061892728 262406284 /nfs/dbraw/zinc/40/62/84/262406284.db2.gz SFVTYFRJUCKFHH-HOCLYGCPSA-N 0 0 258.365 3.256 10 30 CGEERN CC(C)[C@@H]1CCCN1C(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328735031 263863950 /nfs/dbraw/zinc/86/39/50/263863950.db2.gz IUTQOQPDWBEZPE-QWHCGFSZSA-N 0 0 293.411 3.062 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000093655693 265188164 /nfs/dbraw/zinc/18/81/64/265188164.db2.gz VVTNDSCTCVLEGW-YRCZHWOXSA-N 0 0 286.419 3.401 10 30 CGEERN C=C(C)C(C)(C)C(=O)N1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000335140472 277762966 /nfs/dbraw/zinc/76/29/66/277762966.db2.gz OBZZTESSRIWECS-CHWSQXEVSA-N 0 0 265.397 3.147 10 30 CGEERN C=C[C@@H](N(Cc1ccccc1)C(C)=O)C(F)(F)F ZINC000021988054 277898461 /nfs/dbraw/zinc/89/84/61/277898461.db2.gz HJVOBIPLLYZQBD-GFCCVEGCSA-N 0 0 257.255 3.152 10 30 CGEERN CC(C)c1ccc(C(=O)N[C@H]2CCC[C@@H]2C#N)cc1 ZINC000061889068 278032670 /nfs/dbraw/zinc/03/26/70/278032670.db2.gz GNMOUHLMEXRAOR-CABCVRRESA-N 0 0 256.349 3.232 10 30 CGEERN Cc1nc2c(c3[nH]c4ccccc4c31)C(=O)C(C)=CC2=O ZINC000006069143 279113083 /nfs/dbraw/zinc/11/30/83/279113083.db2.gz ARACBIMLWCWKTI-UHFFFAOYSA-N 0 0 276.295 3.350 10 30 CGEERN O/N=C/[C@]1(c2nccc3ccccc32)C=CC=CC1 ZINC000100290364 279717744 /nfs/dbraw/zinc/71/77/44/279717744.db2.gz JZBXIZFZADYXNF-IQFISFIMSA-N 0 0 250.301 3.449 10 30 CGEERN CCO[C@H]1C[C@@H](N(C)c2ccc(C#N)cn2)C12CCCC2 ZINC000156883393 279913629 /nfs/dbraw/zinc/91/36/29/279913629.db2.gz WJMYQPXPQVKJTL-CABCVRRESA-N 0 0 285.391 3.127 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1cc2c(s1)CCCC2 ZINC000061889102 294818422 /nfs/dbraw/zinc/81/84/22/294818422.db2.gz WATGTYGYUNVAOR-RYUDHWBXSA-N 0 0 274.389 3.049 10 30 CGEERN CC[C@@H](CC#N)N[C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000054183365 328689991 /nfs/dbraw/zinc/68/99/91/328689991.db2.gz UOHLNYLDJIJVNK-AAEUAGOBSA-N 0 0 292.379 3.055 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NCc1cccc(Cl)c1F ZINC000168914230 329062034 /nfs/dbraw/zinc/06/20/34/329062034.db2.gz PIPPKFCHGMNCIP-CABZTGNLSA-N 0 0 252.720 3.261 10 30 CGEERN C=CCCCC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000175665538 329167697 /nfs/dbraw/zinc/16/76/97/329167697.db2.gz UAANTDAPEYEODW-GFCCVEGCSA-N 0 0 264.394 3.205 10 30 CGEERN C=CCCCC(=O)N1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000177212417 329181887 /nfs/dbraw/zinc/18/18/87/329181887.db2.gz DIPDIUQTTFFLNH-KBPBESRZSA-N 0 0 277.364 3.050 10 30 CGEERN C[C@H]1C[C@@H](C(=O)NCCCCC#N)CC(C)(C)C1 ZINC000180053395 329215165 /nfs/dbraw/zinc/21/51/65/329215165.db2.gz KMYDILGGFBUYKB-QWHCGFSZSA-N 0 0 250.386 3.259 10 30 CGEERN C=CCCC[C@H](C)NC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000181412143 329236479 /nfs/dbraw/zinc/23/64/79/329236479.db2.gz CIKROPDFSPRLFG-ZDUSSCGKSA-N 0 0 290.411 3.044 10 30 CGEERN C[C@H](C#N)N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000181867243 329237900 /nfs/dbraw/zinc/23/79/00/329237900.db2.gz XXQJOXIRXQVNBM-LLVKDONJSA-N 0 0 271.339 3.398 10 30 CGEERN C[C@@H](NC(=O)C(C)(C)C#N)c1cccc(Br)c1 ZINC000044351703 329591219 /nfs/dbraw/zinc/59/12/19/329591219.db2.gz QCAFXXKCXZVGAP-SECBINFHSA-N 0 0 295.180 3.176 10 30 CGEERN C[C@@H](C#N)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000249137943 329905208 /nfs/dbraw/zinc/90/52/08/329905208.db2.gz VRVNNSALLUFNPM-WDEREUQCSA-N 0 0 250.292 3.056 10 30 CGEERN C=CCN(C)C(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000161806780 329955998 /nfs/dbraw/zinc/95/59/98/329955998.db2.gz QNMGSTNNWPKDNS-SECBINFHSA-N 0 0 288.174 3.405 10 30 CGEERN Cc1[nH]nc(-c2ccc(C#N)cc2)c1C(F)(F)F ZINC000536961086 330384319 /nfs/dbraw/zinc/38/43/19/330384319.db2.gz WZWRHRYQGWYQDP-UHFFFAOYSA-N 0 0 251.211 3.276 10 30 CGEERN C=CCC[C@H](NC(=O)N[C@@H]1C[C@@H]1C)c1ccccc1 ZINC000158010830 330813087 /nfs/dbraw/zinc/81/30/87/330813087.db2.gz IPVBLQGEGLFZAC-AEGPPILISA-N 0 0 258.365 3.402 10 30 CGEERN Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N[C@H](C)C#N ZINC000176130762 333039594 /nfs/dbraw/zinc/03/95/94/333039594.db2.gz RKYSQNQMPSTFPE-DGCLKSJQSA-N 0 0 273.380 3.093 10 30 CGEERN C=CCCS(=O)(=O)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000178279053 333070474 /nfs/dbraw/zinc/07/04/74/333070474.db2.gz YCEIUOKMRPFRHX-ZDUSSCGKSA-N 0 0 281.421 3.367 10 30 CGEERN CCCCCCOc1ccc(/C(N)=N/O)c(Cl)c1 ZINC000061856335 520102089 /nfs/dbraw/zinc/10/20/89/520102089.db2.gz DRQPMSKSMASDAO-UHFFFAOYSA-N 0 0 270.760 3.394 10 30 CGEERN C=C(Cl)CC(=O)CC1(NC(=O)OC(C)(C)C)CC1 ZINC000685958994 572881624 /nfs/dbraw/zinc/88/16/24/572881624.db2.gz GZDMVQSCTUTIPD-UHFFFAOYSA-N 0 0 273.760 3.146 10 30 CGEERN C=C(C)C[C@@H](C)C(=O)NCC[C@@H](C)NC(=O)OC(C)(C)C ZINC000185380340 518628885 /nfs/dbraw/zinc/62/88/85/518628885.db2.gz QQZMOKDBKSPSMC-CHWSQXEVSA-N 0 0 298.427 3.008 10 30 CGEERN CC1(C)CSC(Nc2ccc3ncccc3c2)=N1 ZINC000054108338 520514666 /nfs/dbraw/zinc/51/46/66/520514666.db2.gz OIHSYNSISOMKBN-UHFFFAOYSA-N 0 0 257.362 3.337 10 30 CGEERN CN(Cc1ccccn1)c1ccc(C#N)cc1Cl ZINC000062793669 523400069 /nfs/dbraw/zinc/40/00/69/523400069.db2.gz WCCBJKUACPQYOR-UHFFFAOYSA-N 0 0 257.724 3.243 10 30 CGEERN C[C@@H]1CCCC[C@H]1Oc1cccc(Cl)c1/C(N)=N/O ZINC000052906808 524180354 /nfs/dbraw/zinc/18/03/54/524180354.db2.gz YFSWFRDBASMBTB-MWLCHTKSSA-N 0 0 282.771 3.392 10 30 CGEERN C[C@@H](Nc1nccnc1C#N)c1cccc(Cl)c1 ZINC000054377655 525732965 /nfs/dbraw/zinc/73/29/65/525732965.db2.gz INJHLJRAAQKXFD-SECBINFHSA-N 0 0 258.712 3.175 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(Cl)cc1 ZINC000061889310 526499902 /nfs/dbraw/zinc/49/99/02/526499902.db2.gz MGYDKGHFGQGSEU-CABZTGNLSA-N 0 0 263.728 3.154 10 30 CGEERN CCC[C@@H]1C[C@@H]1NC(=O)N1CCCC[C@H]1c1nc(C)no1 ZINC000329526531 527814575 /nfs/dbraw/zinc/81/45/75/527814575.db2.gz HNKUHCLYDXZYIG-AGIUHOORSA-N 0 0 292.383 3.008 10 30 CGEERN CCC1(c2ccccc2)CN(C(=O)N[C@@H]2CCC[C@H]2C#N)C1 ZINC000333625776 527817799 /nfs/dbraw/zinc/81/77/99/527817799.db2.gz QGXPNYGLFPDCDG-GOEBONIOSA-N 0 0 297.402 3.052 10 30 CGEERN CC(C)n1c(C2CCC2)nnc1N1CCC(C)(C#N)CC1 ZINC000333154349 528539145 /nfs/dbraw/zinc/53/91/45/528539145.db2.gz IIHFPBPZXKEFEC-UHFFFAOYSA-N 0 0 287.411 3.257 10 30 CGEERN CC1(C)CCC[C@H]1Nc1cnn(-c2ncccc2C#N)c1 ZINC000186009300 535309904 /nfs/dbraw/zinc/30/99/04/535309904.db2.gz FEQWDKBXFRQXAU-CQSZACIVSA-N 0 0 281.363 3.130 10 30 CGEERN CC[C@@H](C)C(=O)SCC[C@H](S)CCCCC(N)=O ZINC000016343188 571739825 /nfs/dbraw/zinc/73/98/25/571739825.db2.gz UFNCWFSSEGPJNL-GHMZBOCLSA-N 0 0 291.482 3.027 10 30 endogenous,in-man CGEERN C=C[C@H](C)NC(=S)Nc1ccccc1Br ZINC000757135542 617772414 /nfs/dbraw/zinc/77/24/14/617772414.db2.gz ULVXEWIPXGWUKY-QMMMGPOBSA-N 0 0 285.210 3.310 10 30 CGEERN C=C(Br)CNC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000161918001 618728116 /nfs/dbraw/zinc/72/81/16/618728116.db2.gz RRZGUNWFNKZUFD-VXGBXAGGSA-N 0 0 286.213 3.228 10 30 CGEERN Cc1ccc(C#N)cc1NS(=O)(=O)/C=C\c1ccccc1 ZINC000255598107 618747588 /nfs/dbraw/zinc/74/75/88/618747588.db2.gz ZTCQROISDGGBMV-KTKRTIGZSA-N 0 0 298.367 3.279 10 30 CGEERN C#C[C@@H](C)NC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000185974268 625499455 /nfs/dbraw/zinc/49/94/55/625499455.db2.gz AKLRJDIRQYFPFD-CHWSQXEVSA-N 0 0 266.344 3.222 10 30 CGEERN N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000061891392 623186532 /nfs/dbraw/zinc/18/65/32/623186532.db2.gz CPZYEIVAQCFSLP-QPUJVOFHSA-N 0 0 285.174 3.481 10 30 CGEERN C[C@@H](O)c1nc2ccccc2n1Cc1ccccc1C#N ZINC000076080687 625038322 /nfs/dbraw/zinc/03/83/22/625038322.db2.gz JHBPSBKYLMSGSE-GFCCVEGCSA-N 0 0 277.327 3.010 10 30 CGEERN CCO[C@@H]1C[C@@H](OC(=O)c2ccc(C#N)cc2)C12CCCC2 ZINC000119744420 629706216 /nfs/dbraw/zinc/70/62/16/629706216.db2.gz HFOPJHLGPHFQLI-HZPDHXFCSA-N 0 0 299.370 3.453 10 30 CGEERN CCCCCCCCCC(=O)N1CC[C@@H](CCO)C1 ZINC000126932544 635384865 /nfs/dbraw/zinc/38/48/65/635384865.db2.gz GEVCDYZPOJXPQT-HNNXBMFYSA-N 0 0 269.429 3.358 10 30 CGEERN C#CC[C@H](OC(=O)CCc1ccccc1)c1ccccn1 ZINC000105549336 635920646 /nfs/dbraw/zinc/92/06/46/635920646.db2.gz WVLOIUSRXSKLLA-KRWDZBQOSA-N 0 0 279.339 3.322 10 30 CGEERN C#CCCCC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000191903366 640337910 /nfs/dbraw/zinc/33/79/10/640337910.db2.gz UFSFSIRQEMQNOS-MNOVXSKESA-N 0 0 261.287 3.027 10 30 CGEERN COc1cccc(/C=N\Cc2ccc(Cl)cn2)c1O ZINC000588384525 799685304 /nfs/dbraw/zinc/68/53/04/799685304.db2.gz ZWKVLTWXMFLGRE-APSNUPSMSA-N 0 0 276.723 3.068 10 30 CGEERN COc1ccc(O)cc1C(=O)/C=C\c1ccc(C#N)s1 ZINC000588409717 799690117 /nfs/dbraw/zinc/69/01/17/799690117.db2.gz RTMRLXDHMJKUAD-WAYWQWQTSA-N 0 0 285.324 3.230 10 30 CGEERN COc1ccc(O)cc1C(=O)/C=C\c1cccc(F)c1 ZINC000588409713 799690496 /nfs/dbraw/zinc/69/04/96/799690496.db2.gz ROMZLFHGHURIPP-ALCCZGGFSA-N 0 0 272.275 3.436 10 30 CGEERN C/C(=C/C(=O)OCC(C)(C)C#N)c1cccc(F)c1 ZINC000588419046 799692427 /nfs/dbraw/zinc/69/24/27/799692427.db2.gz VCWLMTYVNAAJAQ-XFFZJAGNSA-N 0 0 261.296 3.322 10 30 CGEERN N#CC1(COC(=O)/C=C\c2ccnc3ccccc23)CCC1 ZINC000588478014 799699694 /nfs/dbraw/zinc/69/96/94/799699694.db2.gz BPVBPWGWJBCRDU-SREVYHEPSA-N 0 0 292.338 3.485 10 30 CGEERN CCCCCCNC(=O)C(C#N)=C(O)C(C)=CC(C)(C)C ZINC000588507777 799704190 /nfs/dbraw/zinc/70/41/90/799704190.db2.gz HVDMXDNMMRXZOS-FZDNWWAKSA-N 0 0 292.423 3.384 10 30 CGEERN C=C[C@](C)(CCOC)COC(=O)/C=C\c1cncc(F)c1 ZINC000588551910 799710721 /nfs/dbraw/zinc/71/07/21/799710721.db2.gz YRGZFTHRGNLCPV-OGZRUICASA-N 0 0 293.338 3.006 10 30 CGEERN Cc1cccnc1/C=C\C(=O)OCC(C)(C)CCC#N ZINC000588616840 799721166 /nfs/dbraw/zinc/72/11/66/799721166.db2.gz IBNOZLVGNPZHTM-FPLPWBNLSA-N 0 0 272.348 3.276 10 30 CGEERN N#Cc1ccc(Cl)cc1N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000128323867 136387486 /nfs/dbraw/zinc/38/74/86/136387486.db2.gz LPSUOMXJXNMSNA-CZUORRHYSA-N 0 0 290.794 3.343 10 30 CGEERN CCCCOc1ccc(C#N)cc1Br ZINC000011801779 344878703 /nfs/dbraw/zinc/87/87/03/344878703.db2.gz JSIODFQWDAEXST-UHFFFAOYSA-N 0 0 254.127 3.500 10 30 CGEERN N#Cc1c(=O)[nH]cnc1-c1ccc(-c2ccccc2)cc1 ZINC000038526906 344955696 /nfs/dbraw/zinc/95/56/96/344955696.db2.gz BTCHGDSUZCTQFD-UHFFFAOYSA-N 0 0 273.295 3.388 10 30 CGEERN Cc1cc(Br)cc(C)c1N[C@@H](C)C#N ZINC000043514659 345000499 /nfs/dbraw/zinc/00/04/99/345000499.db2.gz KDLOVTPJGZDRDV-VIFPVBQESA-N 0 0 253.143 3.390 10 30 CGEERN CCCCCCCCC[C@H]1[NH2+][C@H](C(=O)[O-])CS1 ZINC000043919989 345005458 /nfs/dbraw/zinc/00/54/58/345005458.db2.gz ADAICNXXCJLEEG-RYUDHWBXSA-N 0 0 259.415 3.243 10 30 CGEERN Cc1cc(N(C)Cc2ccsc2)c(C#N)c(C)n1 ZINC000127343682 187298235 /nfs/dbraw/zinc/29/82/35/187298235.db2.gz MFUWSOODESYXSC-UHFFFAOYSA-N 0 0 257.362 3.268 10 30 CGEERN O=C[C@H]1CCCCN1Cc1csc(Br)c1 ZINC000054237318 345130823 /nfs/dbraw/zinc/13/08/23/345130823.db2.gz SJBUYPAJKWRQPE-SNVBAGLBSA-N 0 0 288.210 3.064 10 30 CGEERN N#Cc1ccc(/C=C/n2ncc(Cl)c(Cl)c2=O)cc1 ZINC000084653393 178910378 /nfs/dbraw/zinc/91/03/78/178910378.db2.gz LVUCYUUCJSQYNC-AATRIKPKSA-N 0 0 292.125 3.050 10 30 CGEERN Cc1ccc(C#N)cc1NC(=O)N[C@@H](C)CC1CC1 ZINC000171863655 232270393 /nfs/dbraw/zinc/27/03/93/232270393.db2.gz BMRNRJJXKXAMMO-NSHDSACASA-N 0 0 257.337 3.177 10 30 CGEERN CC(=CC(N)(C(F)(F)F)C(F)(F)F)NC(C)C ZINC000100086637 345910807 /nfs/dbraw/zinc/91/08/07/345910807.db2.gz GZWNEFVEOHHCJR-FMQZQXMHSA-N 0 0 264.213 3.068 10 30 CGEERN C=CCN(Cc1ccccc1)C(=O)N[C@H](C)C(C)C ZINC000125924782 346021340 /nfs/dbraw/zinc/02/13/40/346021340.db2.gz WTIMZGVZTIEBOS-CQSZACIVSA-N 0 0 260.381 3.429 10 30 CGEERN Cc1cccc(NC[C@@H](C)C#N)c1Br ZINC000131722209 346067856 /nfs/dbraw/zinc/06/78/56/346067856.db2.gz ZUOLSNHOBYUAIJ-QMMMGPOBSA-N 0 0 253.143 3.329 10 30 CGEERN N#Cc1c(C(F)(F)F)cc(N)cc1C(F)(F)F ZINC000140421448 346104207 /nfs/dbraw/zinc/10/42/07/346104207.db2.gz RHYNRBXZVAODTD-UHFFFAOYSA-N 0 0 254.133 3.178 10 30 CGEERN N#C[C@@H](c1ccccc1)[C@@H]1CCCC2(C1)OCCO2 ZINC000143113085 346112520 /nfs/dbraw/zinc/11/25/20/346112520.db2.gz JKNBSSKXDZJTEO-CABCVRRESA-N 0 0 257.333 3.227 10 30 CGEERN CCCCCCCCCCCCn1nnc(N)n1 ZINC000144057399 346116838 /nfs/dbraw/zinc/11/68/38/346116838.db2.gz GMWLXVMVRUKTRS-UHFFFAOYSA-N 0 0 253.394 3.176 10 30 CGEERN COC1(c2cccc(C)c2)CCC(=NOC(C)=O)CC1 ZINC000146072697 346122295 /nfs/dbraw/zinc/12/22/95/346122295.db2.gz JEAGPWPSIBHULR-UHFFFAOYSA-N 0 0 275.348 3.330 10 30 CGEERN Cc1ccc([C@H](C)NC(=O)C2(c3ccc(C#N)cc3)CC2)o1 ZINC000188015068 232443988 /nfs/dbraw/zinc/44/39/88/232443988.db2.gz YXIFCLNNIUJRSM-ZDUSSCGKSA-N 0 0 294.354 3.369 10 30 CGEERN CC[C@H](C#N)[C@H](O)c1cc(Br)c(C)s1 ZINC000227987747 346312965 /nfs/dbraw/zinc/31/29/65/346312965.db2.gz DZIWNDWCJUBDMS-XCBNKYQSSA-N 0 0 274.183 3.402 10 30 CGEERN C#CCC[C@H](O)c1ccc(C)c(Br)c1 ZINC000228650281 346315219 /nfs/dbraw/zinc/31/52/19/346315219.db2.gz CKODCSDCLREBBD-LBPRGKRZSA-N 0 0 253.139 3.204 10 30 CGEERN CC#CC[C@@H](O)c1cccc(C)c1Br ZINC000232561106 346326103 /nfs/dbraw/zinc/32/61/03/346326103.db2.gz PVHOCSZUODNUEU-LLVKDONJSA-N 0 0 253.139 3.204 10 30 CGEERN ON=C[C@]1(c2nccc3ccccc32)C=CC=CC1 ZINC000255982349 346398929 /nfs/dbraw/zinc/39/89/29/346398929.db2.gz JZBXIZFZADYXNF-INIZCTEOSA-N 0 0 250.301 3.449 10 30 CGEERN CC#CCNc1cc(I)ccc1C ZINC000300952622 346439377 /nfs/dbraw/zinc/43/93/77/346439377.db2.gz LYLPWQBFZSKGML-UHFFFAOYSA-N 0 0 285.128 3.035 10 30 CGEERN O=C[C@H]1CCC[C@@H](c2ccc(Br)cc2)O1 ZINC000306730082 346457255 /nfs/dbraw/zinc/45/72/55/346457255.db2.gz PEHPRCQWWIFWQW-NEPJUHHUSA-N 0 0 269.138 3.258 10 30 CGEERN C#CCOC(=O)Nc1ccc(Cl)cc1Br ZINC000307745084 346464942 /nfs/dbraw/zinc/46/49/42/346464942.db2.gz QOTNGXJHXDCGLC-UHFFFAOYSA-N 0 0 288.528 3.284 10 30 CGEERN N#CCc1cc(C(F)(F)F)c(N)cc1Br ZINC000396057520 346578690 /nfs/dbraw/zinc/57/86/90/346578690.db2.gz VAZHSZATULXZCM-UHFFFAOYSA-N 0 0 279.059 3.116 10 30 CGEERN N#Cc1cc2cc(Br)ccc2n1-c1ncccn1 ZINC000584637775 346701583 /nfs/dbraw/zinc/70/15/83/346701583.db2.gz RJRFYFRWWSBXIV-UHFFFAOYSA-N 0 0 299.131 3.055 10 30 CGEERN CC(C)(C)OC(=O)Cc1ccc(C#N)cc1Cl ZINC000584645114 346703212 /nfs/dbraw/zinc/70/32/12/346703212.db2.gz TXONFRQDEKCCMQ-UHFFFAOYSA-N 0 0 251.713 3.096 10 30 CGEERN CN(C)/C=C1\C(=O)C(C)(C)C[C@@H]1c1ccc(C#N)c(F)c1 ZINC000584644680 346703361 /nfs/dbraw/zinc/70/33/61/346703361.db2.gz SDTYEUGLIVSZQH-JFBXQDQPSA-N 0 0 286.350 3.225 10 30 CGEERN COc1ccc(-c2ccc(C[C@H](O)CC#N)cc2)cc1 ZINC000584611841 346692581 /nfs/dbraw/zinc/69/25/81/346692581.db2.gz MSKLIMHNXRPEAU-MRXNPFEDSA-N 0 0 267.328 3.179 10 30 CGEERN N#Cc1cc(-c2ccc(C(F)(F)F)cn2)cc(F)n1 ZINC000584613108 346693063 /nfs/dbraw/zinc/69/30/63/346693063.db2.gz AXQJVQXCBOVMTN-UHFFFAOYSA-N 0 0 267.185 3.173 10 30 CGEERN C/C(=N\O)c1c[nH]c2ccc(Br)cc12 ZINC000584613364 346693309 /nfs/dbraw/zinc/69/33/09/346693309.db2.gz GJAKJIFHPZFOBI-AWNIVKPZSA-N 0 0 253.099 3.129 10 30 CGEERN C=CC[C@@H](Cc1c(OC)ccc2ccccc21)C(N)=O ZINC000584620749 346695731 /nfs/dbraw/zinc/69/57/31/346695731.db2.gz RQANTPKOTSHURU-ZDUSSCGKSA-N 0 0 269.344 3.069 10 30 CGEERN N#C[C@@](Br)([N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000584621931 346695755 /nfs/dbraw/zinc/69/57/55/346695755.db2.gz ZLRDQJXLEOAJOJ-MGEHAVSKSA-N 0 0 299.168 3.094 10 30 CGEERN N#C[C@H]1CCCC[C@@H]1NCc1nc2c(s1)CCCC2 ZINC000597196491 347550480 /nfs/dbraw/zinc/55/04/80/347550480.db2.gz DNYHVNCNJGWJNS-NEPJUHHUSA-N 0 0 275.421 3.194 10 30 CGEERN N#Cc1ccc(N[C@H]2CCC[C@H](O)C2)c(Br)c1 ZINC000611181670 348426761 /nfs/dbraw/zinc/42/67/61/348426761.db2.gz VADNIEJKIGMMLL-QWRGUYRKSA-N 0 0 295.180 3.036 10 30 CGEERN N#Cc1ccc2c(c1)O[C@@](F)(Cl)[C@](F)(Cl)O2 ZINC000091252454 180114829 /nfs/dbraw/zinc/11/48/29/180114829.db2.gz PFKJVDZATHNTLQ-RKDXNWHRSA-N 0 0 266.030 3.054 10 30 CGEERN C[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1ccc(C#N)cc1 ZINC000117564027 138366445 /nfs/dbraw/zinc/36/64/45/138366445.db2.gz URXIQBXSZDIMDV-BDJLRTHQSA-N 0 0 278.311 3.061 10 30 CGEERN C[C@H](Nc1cnn(-c2ncccc2C#N)c1)C1CCCC1 ZINC000186021195 138438835 /nfs/dbraw/zinc/43/88/35/138438835.db2.gz VOKJKVQPPIQDDD-LBPRGKRZSA-N 0 0 281.363 3.130 10 30 CGEERN NC(=O)c1ccc(/N=C/c2ccccc2Cl)cc1 ZINC000000288313 283370943 /nfs/dbraw/zinc/37/09/43/283370943.db2.gz UYMQDTYPWJUWTM-RQZCQDPDSA-N 0 0 258.708 3.190 10 30 CGEERN CCc1ccc([C@H]2CCCCN2C(=O)c2c[nH]c(C#N)c2)o1 ZINC000181311094 189293648 /nfs/dbraw/zinc/29/36/48/189293648.db2.gz UHXBCBAUKVVIRD-OAHLLOKOSA-N 0 0 297.358 3.409 10 30 CGEERN C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C#N)C[C@H](C)C1 ZINC000301766848 201183855 /nfs/dbraw/zinc/18/38/55/201183855.db2.gz HQDCVMUUXVNDTC-NWDGAFQWSA-N 0 0 273.336 3.339 10 30 CGEERN Cc1cc(SC(=S)N2CCCC2)c(C#N)c(C)n1 ZINC000301753854 201177535 /nfs/dbraw/zinc/17/75/35/201177535.db2.gz CFGJPNKHYZPMIZ-UHFFFAOYSA-N 0 0 277.418 3.043 10 30 CGEERN CO[C@H]1CCC[C@@H](Nc2snc(Cl)c2C#N)C1 ZINC000301809658 201210257 /nfs/dbraw/zinc/21/02/57/201210257.db2.gz ZOMRSECKJRSIOJ-SFYZADRCSA-N 0 0 271.773 3.038 10 30 CGEERN COC(=O)c1ccc(/N=C\c2cccc([N+](=O)[O-])c2)cc1 ZINC000000485367 368378148 /nfs/dbraw/zinc/37/81/48/368378148.db2.gz MXPZWBFXNXTFQB-YBEGLDIGSA-N 0 0 284.271 3.132 10 30 CGEERN Cc1cccc(NN=C2C(=O)C=Cc3ccccc32)c1 ZINC000018189088 368741569 /nfs/dbraw/zinc/74/15/69/368741569.db2.gz JUDAMXIKKODEKA-ZPHPHTNESA-N 0 0 262.312 3.407 10 30 CGEERN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CC[C@H](C)O1 ZINC000123725239 370914830 /nfs/dbraw/zinc/91/48/30/370914830.db2.gz FPOMRXROLNJQMP-JQWIXIFHSA-N 0 0 299.823 3.484 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000061889091 369609968 /nfs/dbraw/zinc/60/99/68/369609968.db2.gz YHAYRZPANAJGSS-ZYHUDNBSSA-N 0 0 282.265 3.127 10 30 CGEERN N#C[C@H]1CCC[C@H]1NCc1cc(Br)cs1 ZINC000061891762 369610593 /nfs/dbraw/zinc/61/05/93/369610593.db2.gz LROPSNSHVZYUEG-LDYMZIIASA-N 0 0 285.210 3.292 10 30 CGEERN [N-]=[N+]=Nc1ccc2c(I)n[nH]c2c1 ZINC000089195721 370037584 /nfs/dbraw/zinc/03/75/84/370037584.db2.gz WKDUSOIMJUYLMA-UHFFFAOYSA-N 0 0 285.048 3.109 10 30 CGEERN C=CC[C@H](C)NC(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000116933622 370574924 /nfs/dbraw/zinc/57/49/24/370574924.db2.gz WVNBCEAFVNGNJK-VHSXEESVSA-N 0 0 268.307 3.290 10 30 CGEERN C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000133568356 371263808 /nfs/dbraw/zinc/26/38/08/371263808.db2.gz OHCKWGURDORXPO-OAHLLOKOSA-N 0 0 273.380 3.232 10 30 CGEERN N#Cc1cc(NCC(F)F)ccc1C(F)(F)F ZINC000136445128 371476528 /nfs/dbraw/zinc/47/65/28/371476528.db2.gz UTKISTDDKBGSJZ-UHFFFAOYSA-N 0 0 250.170 3.254 10 30 CGEERN CCO[C@H]1C[C@@H](N(C)c2ncccc2C#N)C12CCCC2 ZINC000156889091 371999196 /nfs/dbraw/zinc/99/91/96/371999196.db2.gz MEKWSUTYRYMKMY-CABCVRRESA-N 0 0 285.391 3.127 10 30 CGEERN CCO[C@H]1C[C@H](N(C)c2ncccc2C#N)C12CCCC2 ZINC000156888797 371999304 /nfs/dbraw/zinc/99/93/04/371999304.db2.gz MEKWSUTYRYMKMY-GJZGRUSLSA-N 0 0 285.391 3.127 10 30 CGEERN CC(C)[C@H](C)NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000171290352 372737067 /nfs/dbraw/zinc/73/70/67/372737067.db2.gz LBDJMPWUCQYHEN-ZDUSSCGKSA-N 0 0 285.391 3.277 10 30 CGEERN C=CCCCC(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000175243041 373439534 /nfs/dbraw/zinc/43/95/34/373439534.db2.gz DPBJWPOCWIMDDU-LBPRGKRZSA-N 0 0 277.364 3.237 10 30 CGEERN CCc1ccc([C@H]2CCCCN2C(=O)NC[C@H](C)C#N)o1 ZINC000182778130 374326298 /nfs/dbraw/zinc/32/62/98/374326298.db2.gz GPIITDBFSXKABI-TZMCWYRMSA-N 0 0 289.379 3.238 10 30 CGEERN O=C(C[C@@H]1CCCCNC1=O)N[C@H]1CC=CCC1 ZINC000329304551 374403899 /nfs/dbraw/zinc/40/38/99/374403899.db2.gz XXXWIMMPMCLHKW-RYUDHWBXSA-N 0 0 250.342 3.198 10 30 CGEERN CC(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000328758075 374380143 /nfs/dbraw/zinc/38/01/43/374380143.db2.gz VNZFHNVHQJWHDK-OBJOEFQTSA-N 0 0 294.395 3.046 10 30 CGEERN CN(C(=O)N[C@@H]1CCCCC12CCCC2)[C@H]1CCNC1=O ZINC000329805706 374432570 /nfs/dbraw/zinc/43/25/70/374432570.db2.gz KVAXLASJUAXYEO-QWHCGFSZSA-N 0 0 293.411 3.064 10 30 CGEERN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](n2ccnc2CC)C1 ZINC000185612883 374699685 /nfs/dbraw/zinc/69/96/85/374699685.db2.gz CTPDIQHRIBTPAS-LSDHHAIUSA-N 0 0 289.423 3.211 10 30 CGEERN C[C@@H]1CCC[C@H](Nc2cnn(-c3ncccc3C#N)c2)C1 ZINC000186005149 374783032 /nfs/dbraw/zinc/78/30/32/374783032.db2.gz WAODLZIKMSJHRN-OCCSQVGLSA-N 0 0 281.363 3.130 10 30 CGEERN Cc1cccc2c1OCC[C@@H]2NCc1ccc(C#N)o1 ZINC000188951832 375299551 /nfs/dbraw/zinc/29/95/51/375299551.db2.gz NVLDBIIBQUUKCK-HNNXBMFYSA-N 0 0 268.316 3.073 10 30 CGEERN Cc1cc(C#N)nc(N[C@@H](C)c2ccc(C)c(F)c2)n1 ZINC000231903799 376574783 /nfs/dbraw/zinc/57/47/83/376574783.db2.gz ODZCJGJZZRNYSP-NSHDSACASA-N 0 0 270.311 3.277 10 30 CGEERN CCCOc1c(Br)cc(C=NO)cc1OC ZINC000254393718 377706133 /nfs/dbraw/zinc/70/61/33/377706133.db2.gz SCTSKSMXYFYWOO-UHFFFAOYSA-N 0 0 288.141 3.055 10 30 CGEERN COC(=O)c1ccc(C(F)(F)F)c(C#N)c1C(F)(F)F ZINC000575381218 377892506 /nfs/dbraw/zinc/89/25/06/377892506.db2.gz ZHURIQWARTYXDI-UHFFFAOYSA-N 0 0 297.154 3.382 10 30 CGEERN COC(=O)c1cc(Cl)c(C#N)c(C(F)(F)F)c1 ZINC000575383261 377893798 /nfs/dbraw/zinc/89/37/98/377893798.db2.gz LUKWLYPCQLIDQA-UHFFFAOYSA-N 0 0 263.602 3.017 10 30 CGEERN COC(=O)Cc1cc(C(F)(F)F)c(C#N)cc1C(F)F ZINC000575387337 377896087 /nfs/dbraw/zinc/89/60/87/377896087.db2.gz KCNIEMYFNFWMSK-UHFFFAOYSA-N 0 0 293.191 3.230 10 30 CGEERN COC(=O)Cc1c(C#N)cc(C(F)F)cc1C(F)(F)F ZINC000575387709 377896214 /nfs/dbraw/zinc/89/62/14/377896214.db2.gz VGEJOCFGVZNHDR-UHFFFAOYSA-N 0 0 293.191 3.230 10 30 CGEERN COC(=O)Cc1ccc(C#N)c(C(F)F)c1C(F)(F)F ZINC000575387937 377896452 /nfs/dbraw/zinc/89/64/52/377896452.db2.gz YYKQTLKQQOFNAO-UHFFFAOYSA-N 0 0 293.191 3.230 10 30 CGEERN CCOc1ccc(CC#N)c(OC(F)F)c1OCC ZINC000575650942 377928497 /nfs/dbraw/zinc/92/84/97/377928497.db2.gz VWHCUMDCABBZLT-UHFFFAOYSA-N 0 0 271.263 3.151 10 30 CGEERN CCOc1cc(C(F)F)cc(OCC)c1CC#N ZINC000575651455 377928671 /nfs/dbraw/zinc/92/86/71/377928671.db2.gz ZNBXUUFHGFTOQN-UHFFFAOYSA-N 0 0 255.264 3.488 10 30 CGEERN Cc1cc(OC(F)F)c(C#N)c(OC(F)(F)F)c1 ZINC000575664906 377941328 /nfs/dbraw/zinc/94/13/28/377941328.db2.gz NUCZPEHMFXYEBB-UHFFFAOYSA-N 0 0 267.153 3.367 10 30 CGEERN CCOC(=O)c1cc(C)cc(C#N)c1C(F)(F)F ZINC000575395181 377902278 /nfs/dbraw/zinc/90/22/78/377902278.db2.gz QVNUFGLKZHWWEL-UHFFFAOYSA-N 0 0 257.211 3.062 10 30 CGEERN COC(=O)c1c(C)ccc(C#N)c1SC(F)(F)F ZINC000575394367 377902558 /nfs/dbraw/zinc/90/25/58/377902558.db2.gz FZVJLAOORPVSQO-UHFFFAOYSA-N 0 0 275.251 3.265 10 30 CGEERN COC(=O)Cc1c(SC(F)(F)F)ccc(C)c1C#N ZINC000575395989 377903521 /nfs/dbraw/zinc/90/35/21/377903521.db2.gz ZZJLEBCLRSRRIG-UHFFFAOYSA-N 0 0 289.278 3.194 10 30 CGEERN COC(=O)Cc1cc(C)c(SC(F)(F)F)cc1C#N ZINC000575395604 377904015 /nfs/dbraw/zinc/90/40/15/377904015.db2.gz JKDAJGZGXUJOES-UHFFFAOYSA-N 0 0 289.278 3.194 10 30 CGEERN Nc1ccc(C(F)(F)F)c(F)c1OC(F)(F)F ZINC000575397392 377904674 /nfs/dbraw/zinc/90/46/74/377904674.db2.gz WQTFDFYLTIZEOB-UHFFFAOYSA-N 0 0 263.112 3.325 10 30 CGEERN COc1cc(C(F)F)c(Br)cc1CC#N ZINC000575686008 377960819 /nfs/dbraw/zinc/96/08/19/377960819.db2.gz OOSSOVIFRNPVIK-UHFFFAOYSA-N 0 0 276.080 3.461 10 30 CGEERN N#CCc1cc(Br)cc(C(F)F)c1[N+](=O)[O-] ZINC000575686309 377961264 /nfs/dbraw/zinc/96/12/64/377961264.db2.gz PGTBZVNGXNTFQQ-UHFFFAOYSA-N 0 0 291.051 3.361 10 30 CGEERN N#Cc1cc(O)cc(C(F)(F)F)c1Br ZINC000575691343 377967120 /nfs/dbraw/zinc/96/71/20/377967120.db2.gz KUCHYSMSKHBUJQ-UHFFFAOYSA-N 0 0 266.016 3.045 10 30 CGEERN CCc1c(C)c(CC#N)ccc1I ZINC000575706332 377977859 /nfs/dbraw/zinc/97/78/59/377977859.db2.gz POASRKQOKLCRIG-UHFFFAOYSA-N 0 0 285.128 3.228 10 30 CGEERN N#Cc1ccc(CN2CC[C@H](O)c3ccccc3C2)c(F)c1 ZINC000373124036 379227486 /nfs/dbraw/zinc/22/74/86/379227486.db2.gz JWQJXBRSUUHNMO-SFHVURJKSA-N 0 0 296.345 3.137 10 30 CGEERN Cc1cccc2c(N[C@H]3CCC[C@@H]3C#N)ncnc12 ZINC000408361593 380005444 /nfs/dbraw/zinc/00/54/44/380005444.db2.gz HTZNRXOLIFXKBI-YPMHNXCESA-N 0 0 252.321 3.042 10 30 CGEERN C[C@H](NC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)[C@@H]1CCCO1 ZINC000329768881 542448745 /nfs/dbraw/zinc/44/87/45/542448745.db2.gz HEBPPLXYLSRADF-AHDPXTMNSA-N 0 0 280.412 3.026 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000332885663 542450642 /nfs/dbraw/zinc/45/06/42/542450642.db2.gz GFWLCWBQJVSOTP-CWVYHPPDSA-N 0 0 289.423 3.337 10 30 CGEERN CCC1(c2ccccc2)CN(C(=O)N[C@H]2CCC[C@H]2C#N)C1 ZINC000333625778 542452469 /nfs/dbraw/zinc/45/24/69/542452469.db2.gz QGXPNYGLFPDCDG-HOCLYGCPSA-N 0 0 297.402 3.052 10 30 CGEERN N#Cc1cc(F)ccc1CN1CCOc2ccccc21 ZINC000103139902 224613309 /nfs/dbraw/zinc/61/33/09/224613309.db2.gz CEMJPSZNOQGHMW-UHFFFAOYSA-N 0 0 268.291 3.096 10 30 CGEERN C#Cc1cccc(N(C(=O)[C@H]2CCCO[C@H]2C)C(C)C)c1 ZINC000191772686 533344634 /nfs/dbraw/zinc/34/46/34/533344634.db2.gz QSHIMLMIWHVKON-YOEHRIQHSA-N 0 0 285.387 3.224 10 30 CGEERN COc1cccc(CC#N)c1OCc1ccccc1 ZINC000071973659 392193783 /nfs/dbraw/zinc/19/37/83/392193783.db2.gz QRVTWVXEBCSXHQ-UHFFFAOYSA-N 0 0 253.301 3.340 10 30 CGEERN N#Cc1csc(C(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000084059004 392222864 /nfs/dbraw/zinc/22/28/64/392222864.db2.gz JYVSHPXLBIJZHU-AWEZNQCLSA-N 0 0 282.368 3.427 10 30 CGEERN CCC[C@H](C)CC(=O)N1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000366208624 392451221 /nfs/dbraw/zinc/45/12/21/392451221.db2.gz AZETTXVTMNSIDR-ZMSDIMECSA-N 0 0 292.423 3.267 10 30 CGEERN C#CCCCCNC(=O)N1CC=C(c2cccs2)CC1 ZINC000154953429 392538861 /nfs/dbraw/zinc/53/88/61/392538861.db2.gz QEHFDNBQTFZMSL-UHFFFAOYSA-N 0 0 288.416 3.350 10 30 CGEERN N#Cc1cccc(Cl)c1NCCC1=CCOCC1 ZINC000158147882 392556201 /nfs/dbraw/zinc/55/62/01/392556201.db2.gz LKGZJBDCDYGNJJ-UHFFFAOYSA-N 0 0 262.740 3.360 10 30 CGEERN C=CCNC(=O)c1ccc(N[C@@H]2CCC[C@H](C3CC3)C2)nc1 ZINC000301408442 392590414 /nfs/dbraw/zinc/59/04/14/392590414.db2.gz INOVGSFJHQFPQM-GOEBONIOSA-N 0 0 299.418 3.378 10 30 CGEERN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)[C@H]1CCCOCC1 ZINC000329286662 392678796 /nfs/dbraw/zinc/67/87/96/392678796.db2.gz PJVDPMWTDAFJFK-OUCADQQQSA-N 0 0 296.411 3.293 10 30 CGEERN C#C[C@@](C)(CC)Oc1ncc(C)cc1Br ZINC000307361315 392650004 /nfs/dbraw/zinc/65/00/04/392650004.db2.gz HFQUPXIVURTKTO-LBPRGKRZSA-N 0 0 268.154 3.333 10 30 CGEERN CC(C)Cc1ccc([C@@H](C)C(=O)NC[C@@H](C)C#N)cc1 ZINC000179248069 392692151 /nfs/dbraw/zinc/69/21/51/392692151.db2.gz ANXYIPSIIBBUSR-UONOGXRCSA-N 0 0 272.392 3.264 10 30 CGEERN CCS[C@H]1CC[C@@H](Nc2nnc(C)c(C)c2C#N)C1 ZINC000078587539 165135836 /nfs/dbraw/zinc/13/58/36/165135836.db2.gz CVKYRKSUCZBNFS-NEPJUHHUSA-N 0 0 276.409 3.051 10 30 CGEERN Cc1[nH][nH]c(=O)c1[C@H](c1ccc(C(C)C)cc1)C(C#N)C#N ZINC000005285774 170083388 /nfs/dbraw/zinc/08/33/88/170083388.db2.gz YSTVNKXGBBDJFO-MRXNPFEDSA-N 0 0 294.358 3.342 10 30 CGEERN N#Cc1cnn2c1nccc2/C=C/c1ccc(Cl)cc1 ZINC000006471898 170203699 /nfs/dbraw/zinc/20/36/99/170203699.db2.gz IFLIVURBQWDTRS-ZZXKWVIFSA-N 0 0 280.718 3.425 10 30 CGEERN COc1ccc(/C=N/N2[C@H](C)CCC[C@H]2C)cc1OC ZINC000006586378 170216308 /nfs/dbraw/zinc/21/63/08/170216308.db2.gz RRWJVYIHBKBYIJ-MDDWGPDPSA-N 0 0 276.380 3.301 10 30 CGEERN CC(C)c1nc(C#N)c(N=NCc2cccc([N+](=O)[O-])c2)o1 ZINC000006633909 170220537 /nfs/dbraw/zinc/22/05/37/170220537.db2.gz BAHHMCHDOQLKCY-LZYBPNLTSA-N 0 0 299.290 3.024 10 30 CGEERN COc1cc(C=NNc2ccccc2C)ccc1O ZINC000007892108 170306478 /nfs/dbraw/zinc/30/64/78/170306478.db2.gz UQISOJJCSVCGFO-MHWRWJLKSA-N 0 0 256.305 3.155 10 30 CGEERN C[C@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1ccco1 ZINC000007903836 170306763 /nfs/dbraw/zinc/30/67/63/170306763.db2.gz BMNCIUZOIPKBAZ-VIFPVBQESA-N 0 0 257.249 3.233 10 30 CGEERN N#CCc1nc2ccccc2n1CCOc1ccccc1 ZINC000009941270 170391416 /nfs/dbraw/zinc/39/14/16/170391416.db2.gz QVQBDKZNVQYAFJ-UHFFFAOYSA-N 0 0 277.327 3.181 10 30 CGEERN COc1cccc(C(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000013834204 170602615 /nfs/dbraw/zinc/60/26/15/170602615.db2.gz IXYHLIIXLGOBCH-FNORWQNLSA-N 0 0 270.284 3.003 10 30 CGEERN CCCCOc1ccc(/C=C2\C(=O)ON=C2C)cc1 ZINC000016639149 170706707 /nfs/dbraw/zinc/70/67/07/170706707.db2.gz XCZIJUIBQADZFH-UVTDQMKNSA-N 0 0 259.305 3.182 10 30 CGEERN CC(C)(C)c1ccccc1Oc1ccc(/C(N)=N/O)cn1 ZINC000019503779 170816072 /nfs/dbraw/zinc/81/60/72/170816072.db2.gz SKXMXBLVAUXYNO-UHFFFAOYSA-N 0 0 285.347 3.266 10 30 CGEERN N#C[C@@H](N)CCOc1ccc(Oc2ccccc2)cc1 ZINC000019666773 170834305 /nfs/dbraw/zinc/83/43/05/170834305.db2.gz CRVLYQJMRRNLIG-ZDUSSCGKSA-N 0 0 268.316 3.099 10 30 CGEERN CC(=O)Nc1ccc(Sc2cc(C#N)ccn2)cc1 ZINC000019846628 170895088 /nfs/dbraw/zinc/89/50/88/170895088.db2.gz BFXZLTJGWLIUPO-UHFFFAOYSA-N 0 0 269.329 3.063 10 30 CGEERN CC[C@@H]1CCCC[C@@H]1Oc1ccccc1/C(N)=N/O ZINC000020076555 170984703 /nfs/dbraw/zinc/98/47/03/170984703.db2.gz GSWMEVHWFNVYHB-YPMHNXCESA-N 0 0 262.353 3.129 10 30 CGEERN COCCCN[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000020177281 171043018 /nfs/dbraw/zinc/04/30/18/171043018.db2.gz ZUSUIVKXYOOVPS-NSHDSACASA-N 0 0 273.163 3.184 10 30 CGEERN N#Cc1ccc(NC(=O)c2cc(N)ccc2Cl)cc1 ZINC000020194301 171059805 /nfs/dbraw/zinc/05/98/05/171059805.db2.gz VBWZHQIGOQXFSC-UHFFFAOYSA-N 0 0 271.707 3.046 10 30 CGEERN N#CCCCNc1cccc(I)c1 ZINC000020359797 171158617 /nfs/dbraw/zinc/15/86/17/171158617.db2.gz FJUSTSCELMVUAI-UHFFFAOYSA-N 0 0 286.116 3.007 10 30 CGEERN Brc1cccc(NC2=NCCCS2)c1 ZINC000020360771 171159629 /nfs/dbraw/zinc/15/96/29/171159629.db2.gz GCCLCTHPVUTCGV-UHFFFAOYSA-N 0 0 271.183 3.163 10 30 CGEERN CCCN[C@@H](C#N)c1ccccc1OC(F)(F)F ZINC000020380223 171172837 /nfs/dbraw/zinc/17/28/37/171172837.db2.gz URQWLLZJVJDATQ-JTQLQIEISA-N 0 0 258.243 3.149 10 30 CGEERN C=C(C)C(=O)NCCCc1nc2ccccc2n1CC(C)C ZINC000035144797 172009979 /nfs/dbraw/zinc/00/99/79/172009979.db2.gz DJCSMKKZVDBZPZ-UHFFFAOYSA-N 0 0 299.418 3.317 10 30 CGEERN N#Cc1ccc(Nc2ccc3scnc3c2N)cc1 ZINC000035344499 172136534 /nfs/dbraw/zinc/13/65/34/172136534.db2.gz GKCIHUXDCSLCET-UHFFFAOYSA-N 0 0 266.329 3.494 10 30 CGEERN CN[C@H](c1cc(F)ccc1F)C(F)(F)C(F)(F)F ZINC000035468595 172217534 /nfs/dbraw/zinc/21/75/34/172217534.db2.gz OXFNLWWTZMFAHX-MRVPVSSYSA-N 0 0 275.167 3.423 10 30 CGEERN COc1cc(C#N)ccc1Oc1ccccc1[C@H](C)O ZINC000035650641 172326985 /nfs/dbraw/zinc/32/69/85/172326985.db2.gz YXIXKANYUKGAED-NSHDSACASA-N 0 0 269.300 3.412 10 30 CGEERN CCCN(c1c(C#N)cnc2ccccc21)C1CC1 ZINC000036913314 172799951 /nfs/dbraw/zinc/79/99/51/172799951.db2.gz QBOCXCYVXRYFGY-UHFFFAOYSA-N 0 0 251.333 3.485 10 30 CGEERN C#CCOc1ccccc1CNc1ccc(O)cc1 ZINC000037131723 172974698 /nfs/dbraw/zinc/97/46/98/172974698.db2.gz UMGYACYURABEPB-UHFFFAOYSA-N 0 0 253.301 3.016 10 30 CGEERN COc1cc([C@@H](C#N)NC2CCCCCC2)ccc1O ZINC000037970215 173919860 /nfs/dbraw/zinc/91/98/60/173919860.db2.gz OCKOQMUECYOMMV-CQSZACIVSA-N 0 0 274.364 3.278 10 30 CGEERN COc1ccc([C@H](C#N)N2CCCC2)cc1Br ZINC000038052566 174064244 /nfs/dbraw/zinc/06/42/44/174064244.db2.gz BIEBQWBCTSFIMF-LBPRGKRZSA-N 0 0 295.180 3.118 10 30 CGEERN N#Cc1ccc(-n2cc(Cl)cn2)cc1C(F)(F)F ZINC000038053458 174065286 /nfs/dbraw/zinc/06/52/86/174065286.db2.gz NVZQQEGMUIBLFH-UHFFFAOYSA-N 0 0 271.629 3.416 10 30 CGEERN CC[C@@H](C)N[C@H](C#N)c1ccc(OC(F)F)cc1 ZINC000038064672 174075423 /nfs/dbraw/zinc/07/54/23/174075423.db2.gz WVJAESXCIJDPNX-BXKDBHETSA-N 0 0 254.280 3.241 10 30 CGEERN CN(C)c1ccc([C@@H](C#N)N2CCCCCC2)cc1 ZINC000038086162 174097037 /nfs/dbraw/zinc/09/70/37/174097037.db2.gz CNCANWQBAHXRHC-MRXNPFEDSA-N 0 0 257.381 3.193 10 30 CGEERN N#CCn1nc(-c2ccccc2)nc1-c1ccccc1 ZINC000040174397 174200524 /nfs/dbraw/zinc/20/05/24/174200524.db2.gz PHOJWFNCYWHKJT-UHFFFAOYSA-N 0 0 260.300 3.136 10 30 CGEERN N#C[C@H](NC(=O)c1c(F)cccc1Cl)c1ccccc1 ZINC000040215137 174204550 /nfs/dbraw/zinc/20/45/50/174204550.db2.gz ZZOHNQZEZDMTPJ-ZDUSSCGKSA-N 0 0 288.709 3.474 10 30 CGEERN C=CCNc1ncnc(Oc2ccc(Cl)c(C)c2)c1N ZINC000040709107 174380643 /nfs/dbraw/zinc/38/06/43/174380643.db2.gz VRESTLSXLGVYCR-UHFFFAOYSA-N 0 0 290.754 3.411 10 30 CGEERN C#CCC(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960320 544111108 /nfs/dbraw/zinc/11/11/08/544111108.db2.gz FDHWJJLGQVDXHR-UHFFFAOYSA-N 0 0 287.359 3.016 10 30 CGEERN Cc1nccc(NC(=O)[C@H]2C[C@@]23CCOc2ccccc23)n1 ZINC000329642439 227752851 /nfs/dbraw/zinc/75/28/51/227752851.db2.gz CVIIHPUSRYSCTR-CXAGYDPISA-N 0 0 295.342 3.113 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)NC[C@@H]1C[C@H]1C1CCCCC1 ZINC000333659767 228209336 /nfs/dbraw/zinc/20/93/36/228209336.db2.gz WEQVFEDLBHVFJU-FXUDXRNXSA-N 0 0 289.423 3.194 10 30 CGEERN C[C@@H]1CCc2sc(C(=O)N[C@@H]3CCC[C@@H]3C#N)cc2C1 ZINC000408333870 260802254 /nfs/dbraw/zinc/80/22/54/260802254.db2.gz JEFUDJXWIOUYOM-NQBHXWOUSA-N 0 0 288.416 3.295 10 30 CGEERN C[C@H]1CC[C@H](C(=O)NC2(C#N)CCC(C(C)(C)C)CC2)O1 ZINC000187284395 262396398 /nfs/dbraw/zinc/39/63/98/262396398.db2.gz APNWXMJEMQCFGB-XCCIUEIHSA-N 0 0 292.423 3.169 10 30 CGEERN N#CCCN(CC1CC1)C(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000163824775 263261065 /nfs/dbraw/zinc/26/10/65/263261065.db2.gz SVJRQFATAXOERJ-HOTGVXAUSA-N 0 0 274.408 3.355 10 30 CGEERN CC[C@@H]1C[C@H](C(=O)N[C@@H]2CCC(=O)NC23CCC3)CCO1 ZINC000328736785 263850832 /nfs/dbraw/zinc/85/08/32/263850832.db2.gz JWVSCIDROULZDM-JHJVBQTASA-N 0 0 294.395 3.190 10 30 CGEERN O=C(NC[C@@H]1CCC[C@@H]1O)Nc1cccc2ccsc21 ZINC000328819658 263868056 /nfs/dbraw/zinc/86/80/56/263868056.db2.gz OMGSDJGBZFNSMX-AAEUAGOBSA-N 0 0 290.388 3.388 10 30 CGEERN C=CCCS(=O)(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000162280565 264311543 /nfs/dbraw/zinc/31/15/43/264311543.db2.gz JBUGTUUEXPJJES-SWLSCSKDSA-N 0 0 279.405 3.121 10 30 CGEERN Cc1cc(N[C@H]2CCCc3ccccc32)c(C#N)cn1 ZINC000399373378 267301841 /nfs/dbraw/zinc/30/18/41/267301841.db2.gz ANUPZEPNHIJDRU-INIZCTEOSA-N 0 0 263.344 3.173 10 30 CGEERN COc1ccc(C#Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000021995685 277870049 /nfs/dbraw/zinc/87/00/49/277870049.db2.gz XBJYTUPDIYOCBS-UHFFFAOYSA-N 0 0 253.257 3.003 10 30 CGEERN CC(C)c1ccc(C(=O)N[C@H]2CCC[C@H]2C#N)cc1 ZINC000061889070 278032780 /nfs/dbraw/zinc/03/27/80/278032780.db2.gz GNMOUHLMEXRAOR-GJZGRUSLSA-N 0 0 256.349 3.232 10 30 CGEERN Cc1csc([C@H]2CCCCN2c2cccc(C#N)n2)n1 ZINC000407995440 302446976 /nfs/dbraw/zinc/44/69/76/302446976.db2.gz HSUFLQNTRPXOED-CYBMUJFWSA-N 0 0 284.388 3.450 10 30 CGEERN C=CC[C@H](C)NC(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000116942572 326796049 /nfs/dbraw/zinc/79/60/49/326796049.db2.gz LGKVKMPNXOGSNX-RYUDHWBXSA-N 0 0 292.379 3.029 10 30 CGEERN C=CCOCCCC(=O)N1CC=C(c2cccs2)CC1 ZINC000173568174 329149381 /nfs/dbraw/zinc/14/93/81/329149381.db2.gz GLOBYEJIYAWAEO-UHFFFAOYSA-N 0 0 291.416 3.347 10 30 CGEERN CCCCCCCCC(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000177709035 329189667 /nfs/dbraw/zinc/18/96/67/329189667.db2.gz ZBSQXVPNEUULGU-CQSZACIVSA-N 0 0 292.427 3.288 10 30 CGEERN C[C@@H](C#N)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000182173274 329240366 /nfs/dbraw/zinc/24/03/66/329240366.db2.gz LIPPZMDWTMILTI-ZFWWWQNUSA-N 0 0 280.375 3.168 10 30 CGEERN C[C@H](C#N)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000182173299 329240381 /nfs/dbraw/zinc/24/03/81/329240381.db2.gz LIPPZMDWTMILTI-HIFRSBDPSA-N 0 0 280.375 3.168 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)c1cc(Cl)sc1Cl ZINC000225119480 329247588 /nfs/dbraw/zinc/24/75/88/329247588.db2.gz CKAUAWCSJHPMDA-HTRCEHHLSA-N 0 0 289.187 3.477 10 30 CGEERN C#CCC(C)(C)C(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000185624250 329328060 /nfs/dbraw/zinc/32/80/60/329328060.db2.gz PIKVUVOXEYFGGP-HOCLYGCPSA-N 0 0 299.414 3.449 10 30 CGEERN Cc1ccc(Cl)cc1C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000228454132 329341668 /nfs/dbraw/zinc/34/16/68/329341668.db2.gz KDEZIRJHUXPBOS-GXFFZTMASA-N 0 0 262.740 3.071 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NCc1ccc(F)c(Br)c1 ZINC000061891289 329681696 /nfs/dbraw/zinc/68/16/96/329681696.db2.gz DSQAAUFLIMKZCW-GWCFXTLKSA-N 0 0 297.171 3.370 10 30 CGEERN C=C(C)[C@H](NC(=O)[C@@H]1CC[C@@H](C)O1)c1ccc(F)c(F)c1 ZINC000249368535 329905906 /nfs/dbraw/zinc/90/59/06/329905906.db2.gz VUFRZHWLIXNCAI-ONERCXAPSA-N 0 0 295.329 3.266 10 30 CGEERN C=CCC[C@H](C(=O)N1C[C@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000188924772 333176300 /nfs/dbraw/zinc/17/63/00/333176300.db2.gz BYYUDUULZJMXIY-ZOBUZTSGSA-N 0 0 287.403 3.372 10 30 CGEERN C[C@H]1C[C@H](c2noc(C3(C#N)CCOCC3)n2)C[C@@H](C)C1 ZINC000350134949 335493871 /nfs/dbraw/zinc/49/38/71/335493871.db2.gz QDTDMSCUSCNKIX-ITGUQSILSA-N 0 0 289.379 3.181 10 30 CGEERN C[C@@H]1C[C@H](C(=O)NC2(C#N)CCSCC2)CC(C)(C)C1 ZINC000181260955 335756158 /nfs/dbraw/zinc/75/61/58/335756158.db2.gz PPLRPUABZYKKFM-OLZOCXBDSA-N 0 0 294.464 3.354 10 30 CGEERN C[C@H](CC1CCCCC1)NC(=O)N[C@@H]1CCO[C@@H]1C ZINC000330183212 533773175 /nfs/dbraw/zinc/77/31/75/533773175.db2.gz HUJAMKRXOQUEGQ-YRGRVCCFSA-N 0 0 268.401 3.026 10 30 CGEERN Cc1ccc(-n2cccn2)cc1NC(=O)N1C[C@H]2CCC[C@H]21 ZINC000330031160 534239625 /nfs/dbraw/zinc/23/96/25/534239625.db2.gz STVNBLVUFMKGDM-CZUORRHYSA-N 0 0 296.374 3.211 10 30 CGEERN C#CCC(C)(C)C(=O)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000184287841 518240261 /nfs/dbraw/zinc/24/02/61/518240261.db2.gz HNSGWQIGRZRBBA-IAGOWNOFSA-N 0 0 299.414 3.151 10 30 CGEERN C(=NNc1nc2ccccc2[nH]1)c1c[nH]c2ccccc12 ZINC000051012414 518381240 /nfs/dbraw/zinc/38/12/40/518381240.db2.gz QKWVMNHEYIXJMJ-ZDLGFXPLSA-N 0 0 275.315 3.490 10 30 CGEERN CC(C)N(CCC#N)c1nnc(Cl)c2ccccc21 ZINC000050530209 519641544 /nfs/dbraw/zinc/64/15/44/519641544.db2.gz SYTUJIPVRDSRDW-UHFFFAOYSA-N 0 0 274.755 3.412 10 30 CGEERN CC/C(=N/O)c1ccccc1OCCOC(C)C ZINC000049259759 520178553 /nfs/dbraw/zinc/17/85/53/520178553.db2.gz RFKZEVVRCCCEAF-SQFISAMPSA-N 0 0 251.326 3.079 10 30 CGEERN CCCCOCCOc1ccccc1/C(C)=N/O ZINC000049262486 520795001 /nfs/dbraw/zinc/79/50/01/520795001.db2.gz CRYYLMSGZLPUFX-NTCAYCPXSA-N 0 0 251.326 3.080 10 30 CGEERN CC[C@H]1CCCN(c2cc(Cl)ccc2/C(N)=N/O)C1 ZINC000062789375 523094827 /nfs/dbraw/zinc/09/48/27/523094827.db2.gz XEYWTNIRMZQZTI-JTQLQIEISA-N 0 0 281.787 3.061 10 30 CGEERN C=CCN(CCc1ccccc1)C(=O)[C@@H]1CCCO[C@@H]1C ZINC000190446426 534837498 /nfs/dbraw/zinc/83/74/98/534837498.db2.gz PHDOEPHXEIVQQH-NVXWUHKLSA-N 0 0 287.403 3.059 10 30 CGEERN C[C@@H]1c2ccccc2O[C@H]1C(=O)Oc1ccc(C#N)cc1F ZINC000158118992 525730539 /nfs/dbraw/zinc/73/05/39/525730539.db2.gz FTIWDBKEGCCMPM-QLJPJBMISA-N 0 0 297.285 3.167 10 30 CGEERN C[C@H]1CCCC[C@@H]1Oc1cccc(Cl)c1/C(N)=N/O ZINC000052906806 526259470 /nfs/dbraw/zinc/25/94/70/526259470.db2.gz YFSWFRDBASMBTB-ONGXEEELSA-N 0 0 282.771 3.392 10 30 CGEERN Cc1csc(CN[C@@H](CC#N)c2ccccc2)n1 ZINC000055017522 526360849 /nfs/dbraw/zinc/36/08/49/526360849.db2.gz YXOOVGRTZOXEEC-ZDUSSCGKSA-N 0 0 257.362 3.196 10 30 CGEERN N#C[C@H](C(=O)[C@H]1CCCCO1)c1ccccc1Cl ZINC000050964019 526507381 /nfs/dbraw/zinc/50/73/81/526507381.db2.gz JJPCXSBBOLCFNR-WCQYABFASA-N 0 0 263.724 3.085 10 30 CGEERN N#Cc1ccc(N[C@@H](CO)c2ccccc2)c(Cl)c1 ZINC000063001449 526665005 /nfs/dbraw/zinc/66/50/05/526665005.db2.gz FUUKBDFPNPLEJF-HNNXBMFYSA-N 0 0 272.735 3.357 10 30 CGEERN N#Cc1cnc2ccccc2c1NCCC1=CCOCC1 ZINC000158050239 526775934 /nfs/dbraw/zinc/77/59/34/526775934.db2.gz HMYZQAAOGSEELY-UHFFFAOYSA-N 0 0 279.343 3.255 10 30 CGEERN N#Cc1ncccc1CNc1cccc(Br)c1 ZINC000061657053 526790343 /nfs/dbraw/zinc/79/03/43/526790343.db2.gz FWBKNCMQASOQEX-UHFFFAOYSA-N 0 0 288.148 3.328 10 30 CGEERN Cc1nc([C@@H]2CCCN2C(=O)c2ccc(C#N)cc2)cs1 ZINC000186996176 527050410 /nfs/dbraw/zinc/05/04/10/527050410.db2.gz SXHSGCDBTIVTPK-HNNXBMFYSA-N 0 0 297.383 3.301 10 30 CGEERN CC(=O)Nc1ccc(O)c(C(=O)N2CC[C@H]3CCC[C@@H]32)c1 ZINC000330299948 528747397 /nfs/dbraw/zinc/74/73/97/528747397.db2.gz IGGXNIVINLOMPN-RISCZKNCSA-N 0 0 288.347 3.015 10 30 CGEERN CC[C@H](C)n1ncc(NC(=O)N2C[C@H]3CCC[C@@H]32)c1C ZINC000330136556 529292069 /nfs/dbraw/zinc/29/20/69/529292069.db2.gz UFUIRPAMMVMVFP-SUHUHFCYSA-N 0 0 276.384 3.192 10 30 CGEERN CCC(C)(C)C1CCC(C2COS(=O)(=O)OC2)CC1 ZINC000757192724 617840493 /nfs/dbraw/zinc/84/04/93/617840493.db2.gz QFJGCSBBYCGGFU-UHFFFAOYSA-N 0 0 290.425 3.137 10 30 CGEERN C[C@H](OC(=O)c1ccc(C#N)cc1)c1nc2ccccc2[nH]1 ZINC000102130766 634539188 /nfs/dbraw/zinc/53/91/88/634539188.db2.gz AYWOYWJDVTYCIB-NSHDSACASA-N 0 0 291.310 3.353 10 30 CGEERN C[C@H](OC(=O)c1cccc(C#N)c1)c1nc2ccccc2[nH]1 ZINC000102131533 634540100 /nfs/dbraw/zinc/54/01/00/634540100.db2.gz XYTSCRFEGJTRPK-NSHDSACASA-N 0 0 291.310 3.353 10 30 CGEERN CC(C)Cc1ccc([C@@H](C)C(=O)N[C@@H](C#N)C2CC2)cc1 ZINC000133852060 636982540 /nfs/dbraw/zinc/98/25/40/636982540.db2.gz IHYAIFSTHKJWBV-DYVFJYSZSA-N 0 0 284.403 3.407 10 30 CGEERN C#CCCCOC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109185262 636991022 /nfs/dbraw/zinc/99/10/22/636991022.db2.gz ZGBHOTPLWSBUMH-VXGBXAGGSA-N 0 0 264.271 3.025 10 30 CGEERN Cc1cc(C(=O)N[C@H]2C[C@@H]2C)c(C)n1-c1ccc(C#N)cc1 ZINC000077327062 640230239 /nfs/dbraw/zinc/23/02/39/640230239.db2.gz YGUXKPIXVRPBKZ-GTNSWQLSSA-N 0 0 293.370 3.104 10 30 CGEERN C=CCC[C@H](C)OC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000089320007 640639823 /nfs/dbraw/zinc/63/98/23/640639823.db2.gz SBIWSWRZFRZETE-QWHCGFSZSA-N 0 0 297.395 3.141 10 30 CGEERN CCc1ccc(C=NOCc2nnc(C3CCC3)n2C)cc1 ZINC000588423680 799692837 /nfs/dbraw/zinc/69/28/37/799692837.db2.gz RYHZYDVOQBHYSX-UHFFFAOYSA-N 0 0 298.390 3.196 10 30 CGEERN C#CC[C@H](OC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000588447875 799696059 /nfs/dbraw/zinc/69/60/59/799696059.db2.gz TUHFUVWNLHUMRV-PCUGXKRQSA-N 0 0 299.326 3.343 10 30 CGEERN CC1(C)CC[C@H](CN=Cc2cc3ccccc3[nH]c2=O)O1 ZINC000588523228 799705582 /nfs/dbraw/zinc/70/55/82/799705582.db2.gz VQRHVHKKCVRURK-FNHQQPGVSA-N 0 0 284.359 3.317 10 30 CGEERN CC[C@H](CC#N)OC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588557992 799711577 /nfs/dbraw/zinc/71/15/77/799711577.db2.gz FNGXOEHAEJIKAH-IWMPZKFUSA-N 0 0 288.303 3.234 10 30 CGEERN CON=Cc1ccc(C(=O)OCC(C)(C)CCC#N)cc1 ZINC000588616871 799721686 /nfs/dbraw/zinc/72/16/86/799721686.db2.gz FRZYROAXYSUOTG-UHFFFAOYSA-N 0 0 288.347 3.154 10 30 CGEERN C=CCC1([NH2+]Cc2ccsc2C(=O)[O-])CCCC1 ZINC000690755574 976330678 /nfs/dbraw/zinc/33/06/78/976330678.db2.gz ANSZTFSMEFBILX-UHFFFAOYSA-N 0 0 265.378 3.425 10 30 CGEERN C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1occc1C(=O)[O-] ZINC000692246175 976407607 /nfs/dbraw/zinc/40/76/07/976407607.db2.gz GJFSYOFODLLPOE-AAEUAGOBSA-N 0 0 263.337 3.202 10 30 CGEERN N#Cc1ccc(CN2CCCC[C@@H]2c2nccs2)o1 ZINC000127660659 187324503 /nfs/dbraw/zinc/32/45/03/187324503.db2.gz GOFKEMQWABIOEA-CYBMUJFWSA-N 0 0 273.361 3.335 10 30 CGEERN Cc1c(C)n(CCc2cccc(Cl)c2)c(N)c1C#N ZINC000095952636 185041221 /nfs/dbraw/zinc/04/12/21/185041221.db2.gz PZWNLYKSLCESBB-UHFFFAOYSA-N 0 0 273.767 3.455 10 30 CGEERN Fc1c(F)c(F)c(N(F)N(F)F)c(F)c1F ZINC000148836892 534972667 /nfs/dbraw/zinc/97/26/67/534972667.db2.gz MEDIDRMPHXHYSX-UHFFFAOYSA-N 0 0 252.064 3.059 10 30 CGEERN N#CCc1ccc2c(c1)C=Cc1ccccc1C21OCCO1 ZINC000039220553 344958925 /nfs/dbraw/zinc/95/89/25/344958925.db2.gz KTAVNNANNXIHFO-UHFFFAOYSA-N 0 0 289.334 3.484 10 30 CGEERN CSc1ccc([C@@H](O)C#Cc2ccccc2)cc1 ZINC000034485977 344939551 /nfs/dbraw/zinc/93/95/51/344939551.db2.gz XZBOBYWYKQNWBM-INIZCTEOSA-N 0 0 254.354 3.494 10 30 CGEERN COc1cccc(COc2ccc(CC=O)cc2)c1 ZINC000034523210 344940043 /nfs/dbraw/zinc/94/00/43/344940043.db2.gz VGMDSZLQJYFCHY-UHFFFAOYSA-N 0 0 256.301 3.016 10 30 CGEERN CS[C@@H](C#N)c1cccc(C(=O)c2ccccc2)c1N ZINC000034615657 344940842 /nfs/dbraw/zinc/94/08/42/344940842.db2.gz YMZIPSONAMSVPS-AWEZNQCLSA-N 0 0 282.368 3.427 10 30 CGEERN COC1=CC(=C2Nc3ccccc3S2)C=CC1=O ZINC000061705233 345232191 /nfs/dbraw/zinc/23/21/91/345232191.db2.gz GYDCERBFGYCQCZ-ZROIWOOFSA-N 0 0 257.314 3.085 10 30 CGEERN CCOC(=O)CC[C@H](C)Nc1c(C#N)cnc2ccccc21 ZINC000089652145 345772874 /nfs/dbraw/zinc/77/28/74/345772874.db2.gz YNIBLNSKPXIOCA-LBPRGKRZSA-N 0 0 297.358 3.250 10 30 CGEERN N#Cc1ccc(NC(=O)c2ccc3cc[nH]c3c2)cc1C#N ZINC000173097974 232277130 /nfs/dbraw/zinc/27/71/30/232277130.db2.gz JNWYYUMFFSRVQP-UHFFFAOYSA-N 0 0 286.294 3.164 10 30 CGEERN C=C(Cl)CNc1ncc(Br)cc1C ZINC000130908995 346061433 /nfs/dbraw/zinc/06/14/33/346061433.db2.gz NSXDEFVMEJNQHV-UHFFFAOYSA-N 0 0 261.550 3.317 10 30 CGEERN C=C(C)CNc1ccc(Br)cc1C#N ZINC000132716651 346073215 /nfs/dbraw/zinc/07/32/15/346073215.db2.gz CKBLIGYCSHOEED-UHFFFAOYSA-N 0 0 251.127 3.309 10 30 CGEERN Cc1ccc(S(=O)(=O)OC[C@H]2CC[C@@H](C#N)CC2)cc1 ZINC000141282492 346107557 /nfs/dbraw/zinc/10/75/57/346107557.db2.gz BIVMWMIMQKNFFR-HDJSIYSDSA-N 0 0 293.388 3.030 10 30 CGEERN COc1ccc(/C(Cc2ccccc2[N+](=O)[O-])=N\O)cc1 ZINC000146806779 346124084 /nfs/dbraw/zinc/12/40/84/346124084.db2.gz QPQPGXCJHPVWDW-PEZBUJJGSA-N 0 0 286.287 3.024 10 30 CGEERN CC[C@@H](C#N)Oc1ccc(Br)cc1C#N ZINC000161763376 346176376 /nfs/dbraw/zinc/17/63/76/346176376.db2.gz RJCGJUKFAFEENM-JTQLQIEISA-N 0 0 265.110 3.002 10 30 CGEERN Cn1cc(-c2ccnc(C#N)c2F)c(-c2ccc(F)cc2)n1 ZINC000168924742 346191423 /nfs/dbraw/zinc/19/14/23/346191423.db2.gz JFJCHGRUMLXVNI-UHFFFAOYSA-N 0 0 296.280 3.299 10 30 CGEERN C=C[C@@](C)(CCOC)C(=O)NC1CCC(CC)CC1 ZINC000188122196 346261549 /nfs/dbraw/zinc/26/15/49/346261549.db2.gz YKUNATCBAAYKNW-XUJLQICISA-N 0 0 267.413 3.300 10 30 CGEERN CC[C@@](C)(C#N)[C@@H](O)c1occc1Br ZINC000233960127 346330884 /nfs/dbraw/zinc/33/08/84/346330884.db2.gz GRYKUBAJJNPGNR-UWVGGRQHSA-N 0 0 258.115 3.015 10 30 CGEERN C[C@H]1C[C@@H]1Nc1cc(Br)cc(C#N)c1 ZINC000227616049 346310018 /nfs/dbraw/zinc/31/00/18/346310018.db2.gz DOPMRJBBVIYQEM-CPCISQLKSA-N 0 0 251.127 3.141 10 30 CGEERN C#CCC(=O)Nc1cccc(Cl)c1Br ZINC000236051764 346339356 /nfs/dbraw/zinc/33/93/56/346339356.db2.gz BDCQARXRWCVBQB-UHFFFAOYSA-N 0 0 272.529 3.064 10 30 CGEERN ON=C[C@@]1(c2nccc3ccccc32)C=CC=CC1 ZINC000255982350 346398855 /nfs/dbraw/zinc/39/88/55/346398855.db2.gz JZBXIZFZADYXNF-MRXNPFEDSA-N 0 0 250.301 3.449 10 30 CGEERN O=C1C=C(c2ccccc2)[S@](=O)c2ccccc21 ZINC000253641139 346395197 /nfs/dbraw/zinc/39/51/97/346395197.db2.gz QGMPXYBAXDVOTR-GOSISDBHSA-N 0 0 254.310 3.032 10 30 CGEERN C#C[C@@H](C)Nc1ccc(C)c(I)c1 ZINC000301008945 346439200 /nfs/dbraw/zinc/43/92/00/346439200.db2.gz ZUDBFLNLCZQTAX-SECBINFHSA-N 0 0 285.128 3.033 10 30 CGEERN C#CCCC(=O)c1c(C)cccc1Br ZINC000306241694 346452209 /nfs/dbraw/zinc/45/22/09/346452209.db2.gz MDGCWTMQZVXEGJ-UHFFFAOYSA-N 0 0 251.123 3.354 10 30 CGEERN N#Cc1ccc(N2CCC3(CC3)C2)c(Br)c1 ZINC000400398714 346589250 /nfs/dbraw/zinc/58/92/50/346589250.db2.gz PMHBKFBUQAJLAI-UHFFFAOYSA-N 0 0 277.165 3.311 10 30 CGEERN Cc1c(Br)c(-c2ccccc2)nn1CC#N ZINC000409443403 346606382 /nfs/dbraw/zinc/60/63/82/346606382.db2.gz MFCVEMKTLRLAQK-UHFFFAOYSA-N 0 0 276.137 3.145 10 30 CGEERN N#CCc1ccc(-c2n[nH]cc2C(F)(F)F)cc1 ZINC000536959706 346650454 /nfs/dbraw/zinc/65/04/54/346650454.db2.gz RYRYCMYAGLOSRE-UHFFFAOYSA-N 0 0 251.211 3.162 10 30 CGEERN Fc1cc(F)c(OC(F)(F)F)c(OC(F)F)c1 ZINC000514258028 346635835 /nfs/dbraw/zinc/63/58/35/346635835.db2.gz GKNFXVVUBCEBKK-UHFFFAOYSA-N 0 0 264.096 3.465 10 30 CGEERN N#CCC[C@@H]1CCN1c1ccc(N2CC[C@H]2CCC#N)cc1 ZINC000584643049 346702718 /nfs/dbraw/zinc/70/27/18/346702718.db2.gz KYNNRGHUAKMCQS-HZPDHXFCSA-N 0 0 294.402 3.452 10 30 CGEERN C[C@@H](O)[C@](C)(/C=C/Sc1ccccc1)/C=N/N(C)C ZINC000584655807 346705604 /nfs/dbraw/zinc/70/56/04/346705604.db2.gz XPIOENTXRHOVQG-JQUKPOPLSA-N 0 0 278.421 3.227 10 30 CGEERN N#Cc1cccc(-c2cnc(N)c(C(F)(F)F)c2)c1 ZINC000584881322 346720821 /nfs/dbraw/zinc/72/08/21/346720821.db2.gz RHOILZZQGBARKY-UHFFFAOYSA-N 0 0 263.222 3.221 10 30 CGEERN N#CC[C@@H](O)COc1ccccc1-c1ccccc1 ZINC000584600271 346689064 /nfs/dbraw/zinc/68/90/64/346689064.db2.gz VDPPCIOGUJMFMN-CQSZACIVSA-N 0 0 253.301 3.007 10 30 CGEERN COC(=O)C[C@H]1CCC(c2ccc(Cl)cc2)=CC1=O ZINC000584631220 346698897 /nfs/dbraw/zinc/69/88/97/346698897.db2.gz DPZRNBOQKZGECW-GFCCVEGCSA-N 0 0 278.735 3.266 10 30 CGEERN N#C[C@@H](c1cccnc1)[C@@H](CCO)c1c(F)cccc1F ZINC000584633654 346700298 /nfs/dbraw/zinc/70/02/98/346700298.db2.gz YQVODFBLVMAOTQ-OLZOCXBDSA-N 0 0 288.297 3.133 10 30 CGEERN N#C[C@@H](c1cscn1)[C@H](CCO)c1cc(F)ccc1F ZINC000584637031 346700957 /nfs/dbraw/zinc/70/09/57/346700957.db2.gz KUXVWMMLEPWTNB-ZYHUDNBSSA-N 0 0 294.326 3.195 10 30 CGEERN N#C[C@H]1CCCC[C@H]1NCc1csc(C2CC2)n1 ZINC000595695059 347339431 /nfs/dbraw/zinc/33/94/31/347339431.db2.gz RQCDGFJMQCTNTK-DGCLKSJQSA-N 0 0 261.394 3.192 10 30 CGEERN N#Cc1cc(Br)ccc1N[C@H]1CCC[C@@H](O)C1 ZINC000611918971 348480453 /nfs/dbraw/zinc/48/04/53/348480453.db2.gz BPZCTFYHDWTKDS-NWDGAFQWSA-N 0 0 295.180 3.036 10 30 CGEERN C[C@H]1CN(c2c(Cl)cccc2C#N)CCS1 ZINC000174728242 290887666 /nfs/dbraw/zinc/88/76/66/290887666.db2.gz DBBRTOUZCORUKI-VIFPVBQESA-N 0 0 252.770 3.153 10 30 CGEERN COc1ccccc1C(=O)C=C(SC)SC ZINC000106490190 186120350 /nfs/dbraw/zinc/12/03/50/186120350.db2.gz ZINAZXAEVJZJQI-UHFFFAOYSA-N 0 0 254.376 3.445 10 30 CGEERN C=C(C)CNC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000156876977 188286022 /nfs/dbraw/zinc/28/60/22/188286022.db2.gz KUHXEXMVMCDMLU-LBPRGKRZSA-N 0 0 286.297 3.035 10 30 CGEERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000117649769 138366252 /nfs/dbraw/zinc/36/62/52/138366252.db2.gz VIDSZVZEHCFPID-HWPZZCPQSA-N 0 0 296.301 3.201 10 30 CGEERN CCc1ccc([C@H]2CCCCN2C(=O)c2cc(C#N)c[nH]2)o1 ZINC000175778354 188966425 /nfs/dbraw/zinc/96/64/25/188966425.db2.gz CNNWZMDVYMNZJK-OAHLLOKOSA-N 0 0 297.358 3.409 10 30 CGEERN C[C@H](Nc1ccc(C#N)nc1)c1ccc(F)c(F)c1 ZINC000301582602 201078652 /nfs/dbraw/zinc/07/86/52/201078652.db2.gz OBJYOIGXBPUIJO-VIFPVBQESA-N 0 0 259.259 3.405 10 30 CGEERN C[C@]1(C(=O)N[C@@H]2CC23CCCCC3)CCCNC1=O ZINC000330318516 291346647 /nfs/dbraw/zinc/34/66/47/291346647.db2.gz QYHHMLUZXMGGTE-RISCZKNCSA-N 0 0 264.369 3.422 10 30 CGEERN Cc1ccc(S(=O)(=O)O[C@H]2CCC[C@H](C)C2)cc1 ZINC000001640352 368426315 /nfs/dbraw/zinc/42/63/15/368426315.db2.gz DRDLAHAGJXECGB-STQMWFEESA-N 0 0 268.378 3.279 10 30 CGEERN CN(C)c1cccc(C(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000013834205 368668959 /nfs/dbraw/zinc/66/89/59/368668959.db2.gz NKFXJPZLZAATIU-SOFGYWHQSA-N 0 0 283.327 3.060 10 30 CGEERN CC(N=Nc1nncc2ccccc21)c1ccccc1 ZINC000033941833 368971147 /nfs/dbraw/zinc/97/11/47/368971147.db2.gz OHZCWVQRCPYFKJ-PDGQHHTCSA-N 0 0 262.316 3.466 10 30 CGEERN N#C[C@H](C(=O)C1CC1)c1cccc(Br)c1 ZINC000036765768 369027224 /nfs/dbraw/zinc/02/72/24/369027224.db2.gz WHKSSBNYIUMPAD-NSHDSACASA-N 0 0 264.122 3.035 10 30 CGEERN ON=C1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000034973252 368984947 /nfs/dbraw/zinc/98/49/47/368984947.db2.gz VUEPPWDSBSSTTJ-UHFFFAOYSA-N 0 0 273.163 3.419 10 30 CGEERN CCC1CCC(NC(=O)c2cccc(C#N)c2)CC1 ZINC000042354093 369216315 /nfs/dbraw/zinc/21/63/15/369216315.db2.gz BJFMEECXQYNBCR-UHFFFAOYSA-N 0 0 256.349 3.257 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NCc1cccc(Br)c1 ZINC000054826340 369507434 /nfs/dbraw/zinc/50/74/34/369507434.db2.gz VQOMSSUGFNVQFN-AAEUAGOBSA-N 0 0 279.181 3.231 10 30 CGEERN N#Cc1ccc(NC(=O)c2ccc3cc[nH]c3c2)cc1 ZINC000060830445 369591803 /nfs/dbraw/zinc/59/18/03/369591803.db2.gz YZIWSTAWMLYBSE-UHFFFAOYSA-N 0 0 261.284 3.292 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1ccccc1C(F)(F)F ZINC000061889252 369609497 /nfs/dbraw/zinc/60/94/97/369609497.db2.gz SYIBCGCRSFBTJA-SKDRFNHKSA-N 0 0 282.265 3.127 10 30 CGEERN Cc1[nH]c2ccc(C(=O)N[C@@H]3CCC[C@H]3C#N)cc2c1C ZINC000061890872 369610641 /nfs/dbraw/zinc/61/06/41/369610641.db2.gz MKKREKAMZMLCFZ-DZGCQCFKSA-N 0 0 281.359 3.207 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NCc1ccccc1OC(F)(F)F ZINC000061891161 369610699 /nfs/dbraw/zinc/61/06/99/369610699.db2.gz KNJQUTIPKVPEIZ-JQWIXIFHSA-N 0 0 284.281 3.367 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)Cc1cccc2ccccc21 ZINC000061889292 369610860 /nfs/dbraw/zinc/61/08/60/369610860.db2.gz PHUPLUKTTVDHTE-WBVHZDCISA-N 0 0 278.355 3.191 10 30 CGEERN N#CC1(c2ccccc2Br)CCC(=O)CC1 ZINC000076447434 369938585 /nfs/dbraw/zinc/93/85/85/369938585.db2.gz WTXFSSCKJGPKTR-UHFFFAOYSA-N 0 0 278.149 3.354 10 30 CGEERN C[C@@H]1COC[C@@H](C)N1Cc1ccccc1C(C)(C)C#N ZINC000135247597 371405501 /nfs/dbraw/zinc/40/55/01/371405501.db2.gz LSBHFCVKZYQQSZ-ZIAGYGMSSA-N 0 0 272.392 3.097 10 30 CGEERN C=CCNc1ncc(C(=O)N[C@@H](C)c2ccc(C)o2)s1 ZINC000136102357 371460122 /nfs/dbraw/zinc/46/01/22/371460122.db2.gz VQPKUGKZAGVXFH-JTQLQIEISA-N 0 0 291.376 3.133 10 30 CGEERN N#Cc1ccc(NC(=O)[C@H]2CCCCC2(F)F)cc1 ZINC000336887568 213771412 /nfs/dbraw/zinc/77/14/12/213771412.db2.gz IHSDEOHCLVIJAA-GFCCVEGCSA-N 0 0 264.275 3.322 10 30 CGEERN C=CC[C@H](C)[C@@H](C)N[C@H](C(=O)OC)c1ccccc1 ZINC000154484699 371850045 /nfs/dbraw/zinc/85/00/45/371850045.db2.gz RJYCCWFGERXWLS-GUTXKFCHSA-N 0 0 261.365 3.091 10 30 CGEERN CCC[C@H](NCc1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000156599802 371988120 /nfs/dbraw/zinc/98/81/20/371988120.db2.gz LXUMUGVTQUQAAU-HNNXBMFYSA-N 0 0 288.391 3.158 10 30 CGEERN CC(C)COCCNc1ccc(Cl)cc1C#N ZINC000169114251 372626172 /nfs/dbraw/zinc/62/61/72/372626172.db2.gz CFYXIAUIYMBGDG-UHFFFAOYSA-N 0 0 252.745 3.296 10 30 CGEERN C[C@H](CC1CC1)NC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000171846841 372838507 /nfs/dbraw/zinc/83/85/07/372838507.db2.gz SXBDFHSWKUMUSH-LLVKDONJSA-N 0 0 288.395 3.425 10 30 CGEERN C[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C#N)n2)C[C@H]1C ZINC000300172686 373619871 /nfs/dbraw/zinc/61/98/71/373619871.db2.gz JBDNERJWZRAXQA-GMTAPVOTSA-N 0 0 274.324 3.098 10 30 CGEERN N#Cc1ccc(N2CCC[C@@H](COc3ccccc3)C2)nc1 ZINC000301260329 373716835 /nfs/dbraw/zinc/71/68/35/373716835.db2.gz CVWLTXQZFYETOY-MRXNPFEDSA-N 0 0 293.370 3.249 10 30 CGEERN CCOCC1CCN(c2cc(C(C)=O)ccc2C#N)CC1 ZINC000302127134 373820991 /nfs/dbraw/zinc/82/09/91/373820991.db2.gz WTLGBDKQDGVBNR-UHFFFAOYSA-N 0 0 286.375 3.014 10 30 CGEERN Cc1ccc(N2CCC[C@@H]2c2ccco2)nc1C#N ZINC000302635922 373911051 /nfs/dbraw/zinc/91/10/51/373911051.db2.gz KEEWJTMJWYOVAJ-CYBMUJFWSA-N 0 0 253.305 3.196 10 30 CGEERN CC(C)CC1(CNc2ccc([N+](=O)[O-])c(C#N)n2)CC1 ZINC000302705587 373935355 /nfs/dbraw/zinc/93/53/55/373935355.db2.gz GSHKEZBNRUJVDT-UHFFFAOYSA-N 0 0 274.324 3.100 10 30 CGEERN Cc1ccc2c(c1)[C@H](NC(=O)NCCCCC#N)[C@H](C)C2 ZINC000181189541 374090689 /nfs/dbraw/zinc/09/06/89/374090689.db2.gz WQUZJBWEBWEYEQ-CZUORRHYSA-N 0 0 285.391 3.221 10 30 CGEERN C[C@H](NC(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C)c1ccco1 ZINC000328615965 374371428 /nfs/dbraw/zinc/37/14/28/374371428.db2.gz BGAJUURSDHQBDI-SCRDCRAPSA-N 0 0 294.395 3.295 10 30 CGEERN C[C@@H]1CC(CNC(=O)C[C@@H]2CCCCNC2=O)C[C@@H](C)O1 ZINC000329339908 374405112 /nfs/dbraw/zinc/40/51/12/374405112.db2.gz NYHHSKQWTLMOJS-BZPMIXESSA-N 0 0 296.411 3.293 10 30 CGEERN CC[C@@H]1C[C@H](C(=O)N[C@H]2CCC(=O)NC23CCC3)CCO1 ZINC000328736786 374379273 /nfs/dbraw/zinc/37/92/73/374379273.db2.gz JWVSCIDROULZDM-UPJWGTAASA-N 0 0 294.395 3.190 10 30 CGEERN Cc1onc(CC(=O)NC2C3CC4CC(C3)CC2C4)c1C#N ZINC000329386822 374406852 /nfs/dbraw/zinc/40/68/52/374406852.db2.gz QNZRXLPNCKZFFR-UHFFFAOYSA-N 0 0 299.374 3.178 10 30 CGEERN C[C@@H]1CC(CNC(=O)N[C@@H]2CC23CCCCC3)C[C@@H](C)O1 ZINC000329806296 374432259 /nfs/dbraw/zinc/43/22/59/374432259.db2.gz NVVVIBSHBJBYBX-UMVBOHGHSA-N 0 0 294.439 3.416 10 30 CGEERN Cn1ccnc1-c1cccc(NC(=O)N2C[C@H]3CCC[C@@H]32)c1 ZINC000329913730 374440507 /nfs/dbraw/zinc/44/05/07/374440507.db2.gz CASPNJGUZUSLHR-HIFRSBDPSA-N 0 0 296.374 3.117 10 30 CGEERN Cn1ccnc1-c1cccc(NC(=O)N2C[C@@H]3CCC[C@@H]32)c1 ZINC000329913732 374441089 /nfs/dbraw/zinc/44/10/89/374441089.db2.gz CASPNJGUZUSLHR-ZFWWWQNUSA-N 0 0 296.374 3.117 10 30 CGEERN CC1CCC(Nc2cnn(-c3ncccc3C#N)c2)CC1 ZINC000185845479 374750835 /nfs/dbraw/zinc/75/08/35/374750835.db2.gz IKIQFXDEGPYVKD-UHFFFAOYSA-N 0 0 281.363 3.130 10 30 CGEERN C[C@@H](CCC1CC1)Nc1cnn(-c2ncccc2C#N)c1 ZINC000186506285 374865657 /nfs/dbraw/zinc/86/56/57/374865657.db2.gz RBFZPEIREMTDJE-LBPRGKRZSA-N 0 0 281.363 3.130 10 30 CGEERN C=CCN(Cc1ccccc1)C(=O)[C@@H]1CCCO[C@H]1C ZINC000188514050 375226053 /nfs/dbraw/zinc/22/60/53/375226053.db2.gz IHEIAPRXTZISTE-GOEBONIOSA-N 0 0 273.376 3.016 10 30 CGEERN N#Cc1cccc(C[NH+]2CCC(c3nccs3)CC2)c1 ZINC000336528238 375807808 /nfs/dbraw/zinc/80/78/08/375807808.db2.gz NNKZFVOFUSPWGQ-UHFFFAOYSA-N 0 0 283.400 3.394 10 30 CGEERN C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@H]2CCCc3cccnc32)C1 ZINC000248842202 377411026 /nfs/dbraw/zinc/41/10/26/377411026.db2.gz RDPBOKAGLZYOBY-QIIPPGSGSA-N 0 0 297.402 3.090 10 30 CGEERN CC(C)(C)OC(=O)N1CC[C@H](c2cccc(C#N)c2)C1 ZINC000260893069 377809750 /nfs/dbraw/zinc/80/97/50/377809750.db2.gz PPZZKUDXXUIKTH-AWEZNQCLSA-N 0 0 272.348 3.283 10 30 CGEERN CCOC(=O)c1cc(C(F)(F)F)cc(C#N)c1CC ZINC000575390126 377898230 /nfs/dbraw/zinc/89/82/30/377898230.db2.gz VIWIBAOCTXSEKF-UHFFFAOYSA-N 0 0 271.238 3.316 10 30 CGEERN CCOC(=O)c1ccc(C#N)c(F)c1SC(F)(F)F ZINC000575390643 377898515 /nfs/dbraw/zinc/89/85/15/377898515.db2.gz KDZIDHJMMUTMKY-UHFFFAOYSA-N 0 0 293.241 3.486 10 30 CGEERN COC(=O)c1c(C#N)ccc(F)c1SC(F)(F)F ZINC000575390664 377898550 /nfs/dbraw/zinc/89/85/50/377898550.db2.gz MYRITLUVOLYGHV-UHFFFAOYSA-N 0 0 279.214 3.096 10 30 CGEERN CCOC(=O)c1c(SC(F)(F)F)ccc(F)c1C#N ZINC000575390754 377900327 /nfs/dbraw/zinc/90/03/27/377900327.db2.gz XUZULSAXQQBBNS-UHFFFAOYSA-N 0 0 293.241 3.486 10 30 CGEERN COC(=O)c1cc(C(F)(F)F)c(C(F)(F)F)cc1C#N ZINC000575340943 377881838 /nfs/dbraw/zinc/88/18/38/377881838.db2.gz HGEREJIJMWCDLN-UHFFFAOYSA-N 0 0 297.154 3.382 10 30 CGEERN COC(=O)c1c(C#N)c(C(F)(F)F)ccc1C(F)(F)F ZINC000575341302 377882525 /nfs/dbraw/zinc/88/25/25/377882525.db2.gz SVMUURDHGDCZQL-UHFFFAOYSA-N 0 0 297.154 3.382 10 30 CGEERN COC(=O)Cc1cc(F)c(C#N)cc1SC(F)(F)F ZINC000575390628 377898864 /nfs/dbraw/zinc/89/88/64/377898864.db2.gz HXUMWNMXYFCFDF-UHFFFAOYSA-N 0 0 293.241 3.025 10 30 CGEERN CCOC(=O)c1cc(SC(F)(F)F)c(C#N)cc1F ZINC000575390646 377898969 /nfs/dbraw/zinc/89/89/69/377898969.db2.gz KONOLZDZEFPOPQ-UHFFFAOYSA-N 0 0 293.241 3.486 10 30 CGEERN CCOC(=O)c1cc(O)c(C#N)cc1SC(F)(F)F ZINC000575392293 377899505 /nfs/dbraw/zinc/89/95/05/377899505.db2.gz RNIAIXSQAKLJJQ-UHFFFAOYSA-N 0 0 291.250 3.052 10 30 CGEERN CCOC(=O)c1cc(OC(F)(F)F)cc(C#N)c1Cl ZINC000575382920 377892381 /nfs/dbraw/zinc/89/23/81/377892381.db2.gz SAHMTMFHWXJNLG-UHFFFAOYSA-N 0 0 293.628 3.287 10 30 CGEERN CCOC(=O)c1c(Cl)cc(C#N)cc1C(F)(F)F ZINC000575383055 377894075 /nfs/dbraw/zinc/89/40/75/377894075.db2.gz DAJLZHYBJOOLNZ-UHFFFAOYSA-N 0 0 277.629 3.407 10 30 CGEERN CCOC(=O)c1cc(OC(F)(F)F)cc(C#N)c1CC ZINC000575389108 377895923 /nfs/dbraw/zinc/89/59/23/377895923.db2.gz YJFYONGSMVHFMU-UHFFFAOYSA-N 0 0 287.237 3.196 10 30 CGEERN CCOC(=O)Cc1cc(C#N)c(CC)c(C(F)(F)F)c1 ZINC000575389231 377895998 /nfs/dbraw/zinc/89/59/98/377895998.db2.gz CPXLWPWOQSWENE-UHFFFAOYSA-N 0 0 285.265 3.245 10 30 CGEERN CCOc1cc(C#N)c(C(F)(F)F)cc1CC#N ZINC000575643276 377925909 /nfs/dbraw/zinc/92/59/09/377925909.db2.gz NQLCEZQXZBFYGJ-UHFFFAOYSA-N 0 0 254.211 3.042 10 30 CGEERN COc1cc(OC(F)F)c(CC#N)cc1C(F)F ZINC000575652463 377929648 /nfs/dbraw/zinc/92/96/48/377929648.db2.gz QQWUEUUINUYGMF-UHFFFAOYSA-N 0 0 263.190 3.300 10 30 CGEERN N#CCc1c(C(F)F)cc(OC(F)F)cc1[N+](=O)[O-] ZINC000575652916 377930857 /nfs/dbraw/zinc/93/08/57/377930857.db2.gz NNOHOSVCYXOMJP-UHFFFAOYSA-N 0 0 278.161 3.200 10 30 CGEERN Cc1c(OC(F)F)ccc(Br)c1CC#N ZINC000575683164 377956993 /nfs/dbraw/zinc/95/69/93/377956993.db2.gz KZVIYQRDGYYLOD-UHFFFAOYSA-N 0 0 276.080 3.425 10 30 CGEERN N#Cc1c(F)c(Br)ccc1OC(F)F ZINC000575679710 377953943 /nfs/dbraw/zinc/95/39/43/377953943.db2.gz AONRXKUGDMDGFX-UHFFFAOYSA-N 0 0 266.016 3.061 10 30 CGEERN N#Cc1cc(OC(F)F)c(Br)cc1F ZINC000575680274 377954005 /nfs/dbraw/zinc/95/40/05/377954005.db2.gz LEJCPPZDLFIOGU-UHFFFAOYSA-N 0 0 266.016 3.061 10 30 CGEERN CCc1c(CC#N)cc(OC)cc1OC(F)(F)F ZINC000575703518 377976643 /nfs/dbraw/zinc/97/66/43/377976643.db2.gz NCUXJYFRAFNTSZ-UHFFFAOYSA-N 0 0 259.227 3.222 10 30 CGEERN CCc1ccc(CC#N)c(I)c1C ZINC000575705321 377977943 /nfs/dbraw/zinc/97/79/43/377977943.db2.gz FTSKKOANGLIYGN-UHFFFAOYSA-N 0 0 285.128 3.228 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1cccc([C@@H]2CCOC2)c1 ZINC000328911854 542445254 /nfs/dbraw/zinc/44/52/54/542445254.db2.gz OMUHVNFRBPJIFM-XHSDSOJGSA-N 0 0 284.359 3.187 10 30 CGEERN Cc1cnc([C@H](C)NC(=O)N2CC3(CCC3)[C@@H]2C2CC2)o1 ZINC000329605526 542447554 /nfs/dbraw/zinc/44/75/54/542447554.db2.gz MDHRSNGSDBJMII-AAEUAGOBSA-N 0 0 289.379 3.223 10 30 CGEERN Cc1ccc2c(c1)[C@@H](NC(=O)N[C@H]1CCC[C@@H]1C#N)CCC2 ZINC000332838514 542450960 /nfs/dbraw/zinc/45/09/60/542450960.db2.gz GQDMAOJFOFTRAM-PVAVHDDUSA-N 0 0 297.402 3.364 10 30 CGEERN C=CCCCN(C)C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000135076354 392471383 /nfs/dbraw/zinc/47/13/83/392471383.db2.gz KLHIZRPKVCJJFB-CHWSQXEVSA-N 0 0 279.330 3.493 10 30 CGEERN Cc1cncc(NC(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)c1 ZINC000328642224 392677820 /nfs/dbraw/zinc/67/78/20/392677820.db2.gz YGZGZWCOQHRHPK-OCCSQVGLSA-N 0 0 291.395 3.167 10 30 CGEERN Cc1nccc(CCC(=O)NC2C3CC4CC(C3)CC2C4)n1 ZINC000329515733 392685673 /nfs/dbraw/zinc/68/56/73/392685673.db2.gz ORFDHBWFRULCHT-UHFFFAOYSA-N 0 0 299.418 3.499 10 30 CGEERN CC(C)(C)OC(=O)C#Cc1ccc(Cl)cc1F ZINC000675078708 543313479 /nfs/dbraw/zinc/31/34/79/543313479.db2.gz JBSKOJRXCLDBBO-UHFFFAOYSA-N 0 0 254.688 3.172 10 30 CGEERN Cc1ccc(NC(=S)N/N=C\c2ccc(F)cc2)cc1 ZINC000033322876 292160724 /nfs/dbraw/zinc/16/07/24/292160724.db2.gz YMQXYAWEMNVMCS-YVLHZVERSA-N 0 0 287.363 3.455 10 30 CGEERN S=C(NN=C1C[C@@H]2C=CC[C@@H]12)NC1CCCCC1 ZINC000034882237 296596232 /nfs/dbraw/zinc/59/62/32/296596232.db2.gz QOUPGYDICQPUFM-ZUZJPYFPSA-N 0 0 263.410 3.147 10 30 CGEERN C[C@H]1C[C@@H]1Nc1cccc(Br)c1C#N ZINC000164992785 165483375 /nfs/dbraw/zinc/48/33/75/165483375.db2.gz WWESQLPSSLBUCO-CPCISQLKSA-N 0 0 251.127 3.141 10 30 CGEERN CN(C)/N=C/C=C1\CC/C(=C\c2ccc(F)c(F)c2)C1=O ZINC000005603024 170118606 /nfs/dbraw/zinc/11/86/06/170118606.db2.gz MDOMIBXXKMAANI-KEHSYAEPSA-N 0 0 290.313 3.185 10 30 CGEERN C=C[C@@H]([C@H](O)C1CCCCC1)n1nnc2ccccc21 ZINC000005631350 170122206 /nfs/dbraw/zinc/12/22/06/170122206.db2.gz IKQLLAVQVNOBQS-GOEBONIOSA-N 0 0 271.364 3.100 10 30 CGEERN S=C(N/N=C/[C@H]1CC=CCC1)NC1CCCCC1 ZINC000007013691 170262189 /nfs/dbraw/zinc/26/21/89/170262189.db2.gz GMZXRFAQHCDWKS-YGRGUWMTSA-N 0 0 265.426 3.125 10 30 CGEERN Cc1ccccc1NN=Cc1ccccc1[N+](=O)[O-] ZINC000007892114 170306378 /nfs/dbraw/zinc/30/63/78/170306378.db2.gz HCFAPEPKQOLTLR-XNTDXEJSSA-N 0 0 255.277 3.349 10 30 CGEERN Cc1cccc(CO/N=C/c2ccccc2[N+](=O)[O-])c1 ZINC000014288632 170630458 /nfs/dbraw/zinc/63/04/58/170630458.db2.gz UXOAIYJEHVIWSS-MHWRWJLKSA-N 0 0 270.288 3.454 10 30 CGEERN COc1ccc(-c2nc(SC)nc(Cl)c2C#N)cc1 ZINC000019651519 170833109 /nfs/dbraw/zinc/83/31/09/170833109.db2.gz SZRBDWCUXMFJTB-UHFFFAOYSA-N 0 0 291.763 3.399 10 30 CGEERN CC[C@@H]1CCCC[C@H]1Oc1ccccc1/C(N)=N/O ZINC000020076560 170984690 /nfs/dbraw/zinc/98/46/90/170984690.db2.gz GSWMEVHWFNVYHB-DGCLKSJQSA-N 0 0 262.353 3.129 10 30 CGEERN COc1cccc([C@H](C#N)NCc2ccccc2)c1 ZINC000020173314 171041256 /nfs/dbraw/zinc/04/12/56/171041256.db2.gz VOBVLOUAIGECRZ-INIZCTEOSA-N 0 0 252.317 3.050 10 30 CGEERN CC(C)N[C@H](C#N)c1cccc(Br)c1 ZINC000020176141 171042485 /nfs/dbraw/zinc/04/24/85/171042485.db2.gz DLCPSMNGKINMOF-LLVKDONJSA-N 0 0 253.143 3.012 10 30 CGEERN COC(=O)c1ccc(COc2ccc(CC#N)cc2)cc1 ZINC000020368756 171166975 /nfs/dbraw/zinc/16/69/75/171166975.db2.gz UYLYQCVCHJPNLU-UHFFFAOYSA-N 0 0 281.311 3.118 10 30 CGEERN CCCN[C@@H](C#N)c1ccc(F)c(Br)c1 ZINC000020380380 171172760 /nfs/dbraw/zinc/17/27/60/171172760.db2.gz MJOTYPLJFLPPDZ-NSHDSACASA-N 0 0 271.133 3.152 10 30 CGEERN C=CCn1c(CC)nnc1SCc1nc2ccccc2[nH]1 ZINC000020425744 171191780 /nfs/dbraw/zinc/19/17/80/171191780.db2.gz ZORGMSDXWJWASG-UHFFFAOYSA-N 0 0 299.403 3.195 10 30 CGEERN N#Cc1cccc(Oc2cccc(Cl)c2CO)c1 ZINC000020435163 171200738 /nfs/dbraw/zinc/20/07/38/171200738.db2.gz VHOCOWVNPHXRSR-UHFFFAOYSA-N 0 0 259.692 3.496 10 30 CGEERN N#CCCN(c1ccccc1)c1ccc(CO)cc1F ZINC000034956825 171902711 /nfs/dbraw/zinc/90/27/11/171902711.db2.gz YQPDQVGIAVFBST-UHFFFAOYSA-N 0 0 270.307 3.370 10 30 CGEERN C[C@@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1ccco1 ZINC000035135140 172002195 /nfs/dbraw/zinc/00/21/95/172002195.db2.gz FBSNLQDIVYIODZ-SECBINFHSA-N 0 0 257.249 3.233 10 30 CGEERN Cc1nc2ccccc2n1CC(=O)c1ccc(C#N)cc1 ZINC000035224850 172069346 /nfs/dbraw/zinc/06/93/46/172069346.db2.gz WGHDAMSIROUXLK-UHFFFAOYSA-N 0 0 275.311 3.099 10 30 CGEERN COc1ccc(NC2=N[C@@H](C)CS2)cc1Cl ZINC000035294420 172105828 /nfs/dbraw/zinc/10/58/28/172105828.db2.gz KXWDBPWUHQFNSZ-ZETCQYMHSA-N 0 0 256.758 3.061 10 30 CGEERN CCCC1N=NC(=S)N1N=Cc1ccccc1Cl ZINC000035418262 172190446 /nfs/dbraw/zinc/19/04/46/172190446.db2.gz JTNSVRFAEIKHJG-ZSOIEALJSA-N 0 0 280.784 3.055 10 30 CGEERN N#Cc1ccccc1NC(=O)c1ccc(N2CCCC2)cc1 ZINC000036139763 172463754 /nfs/dbraw/zinc/46/37/54/172463754.db2.gz FJSFWGSVOSSJMC-UHFFFAOYSA-N 0 0 291.354 3.411 10 30 CGEERN COc1ccccc1[C@H](C#N)C(=O)c1occc1C ZINC000037346727 173144343 /nfs/dbraw/zinc/14/43/43/173144343.db2.gz ORQSLURZBMDUCD-LBPRGKRZSA-N 0 0 255.273 3.087 10 30 CGEERN CC[C@@H](C)N[C@@](C)(C#N)CCc1ccc(OC)cc1 ZINC000038064544 174075409 /nfs/dbraw/zinc/07/54/09/174075409.db2.gz MBVDUMWCVQBGMT-CZUORRHYSA-N 0 0 260.381 3.298 10 30 CGEERN C[C@@]1(O)CC(=O)C=C(c2ccc(Cl)c(Cl)c2)C1 ZINC000040174922 174201164 /nfs/dbraw/zinc/20/11/64/174201164.db2.gz IXYHIIVTRJGJSS-ZDUSSCGKSA-N 0 0 271.143 3.491 10 30 CGEERN N#C[C@H](NC(=O)NC1CCCCC1)C1CCCCC1 ZINC000040220670 174206493 /nfs/dbraw/zinc/20/64/93/174206493.db2.gz RPJLWPKZOSDXPH-AWEZNQCLSA-N 0 0 263.385 3.091 10 30 CGEERN C=CCNc1ncnc(Nc2ccc(Cl)cc2C)c1N ZINC000040703127 174378909 /nfs/dbraw/zinc/37/89/09/174378909.db2.gz LKQXDLNUVJXYNV-UHFFFAOYSA-N 0 0 289.770 3.362 10 30 CGEERN C=CCNc1ncnc(Nc2nc3ccccc3s2)c1N ZINC000040708946 174380024 /nfs/dbraw/zinc/38/00/24/174380024.db2.gz YHASRGMDRPEADN-UHFFFAOYSA-N 0 0 298.375 3.010 10 30 CGEERN C[C@@H](Nc1cnc(C#N)cn1)c1ccc(Cl)cc1 ZINC000071177990 176055828 /nfs/dbraw/zinc/05/58/28/176055828.db2.gz KFMRJKFFRWXZBD-SECBINFHSA-N 0 0 258.712 3.175 10 30 CGEERN Cc1nnc2n1C[C@H](CNC(=O)C1CCCCCC1)CC2 ZINC000329325136 227442254 /nfs/dbraw/zinc/44/22/54/227442254.db2.gz IOBSBXWCBZAOHT-ZDUSSCGKSA-N 0 0 290.411 3.076 10 30 CGEERN C[C@H]1OCC[C@H]1NC(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000330173525 228055613 /nfs/dbraw/zinc/05/56/13/228055613.db2.gz HKGNHMCHOYKKOB-XLWJZTARSA-N 0 0 280.412 3.026 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCCN1c1ccccc1 ZINC000330244804 228078169 /nfs/dbraw/zinc/07/81/69/228078169.db2.gz XIVFFXOYJKFGHH-CWRNSKLLSA-N 0 0 283.375 3.304 10 30 CGEERN C[C@@H]1C[C@H](C(=O)N[C@@H]2CCC[C@H]2C#N)CC(C)(C)C1 ZINC000408157860 260315706 /nfs/dbraw/zinc/31/57/06/260315706.db2.gz HEBIZYYZMWNYTI-ZOBORPQBSA-N 0 0 262.397 3.257 10 30 CGEERN C=C(C)COc1cccc(NC(=O)[C@@H]2CC[C@H](C)O2)c1 ZINC000151895528 260625404 /nfs/dbraw/zinc/62/54/04/260625404.db2.gz HHDJHRPAXYRELF-WFASDCNBSA-N 0 0 275.348 3.148 10 30 CGEERN C[C@]1(C(=O)N[C@H]2CCC[C@H]2C#N)CCCc2ccccc21 ZINC000408329299 260798222 /nfs/dbraw/zinc/79/82/22/260798222.db2.gz IVCZBWUTBRHLJU-ZVZYQTTQSA-N 0 0 282.387 3.089 10 30 CGEERN C=CC1CCN(C(=O)N[C@@H](C)c2ccc(C)o2)CC1 ZINC000111462790 262263688 /nfs/dbraw/zinc/26/36/88/262263688.db2.gz ZVZKZAPFJBRRLW-LBPRGKRZSA-N 0 0 262.353 3.257 10 30 CGEERN C[C@@H]1CC[C@H](C(=O)NC2(C#N)CCC(C(C)(C)C)CC2)O1 ZINC000187284371 262396334 /nfs/dbraw/zinc/39/63/34/262396334.db2.gz APNWXMJEMQCFGB-SMOJQAGNSA-N 0 0 292.423 3.169 10 30 CGEERN C=CCN(C)C(=O)N[C@H]1c2cc(C)ccc2C[C@H]1C ZINC000119574486 263277228 /nfs/dbraw/zinc/27/72/28/263277228.db2.gz LFIUBGHDSDUIAB-IUODEOHRSA-N 0 0 258.365 3.056 10 30 CGEERN C[C@H](C(=O)N[C@H]1CCCc2c(O)cccc21)c1cncnc1 ZINC000328790710 263872028 /nfs/dbraw/zinc/87/20/28/263872028.db2.gz QMBAHCWSHLWVOR-NHYWBVRUSA-N 0 0 297.358 3.320 10 30 CGEERN Cc1cc(Cl)cc(C(=O)N[C@H]2CCC[C@@H]2C#N)c1 ZINC000130610447 264360376 /nfs/dbraw/zinc/36/03/76/264360376.db2.gz UDWGXKRDAIOOOT-MFKMUULPSA-N 0 0 262.740 3.071 10 30 CGEERN N#C[C@@H]1CCO[C@@H]1c1cc(Br)cs1 ZINC000070672433 294822229 /nfs/dbraw/zinc/82/22/29/294822229.db2.gz RQOKCCIIZAFMPK-RCOVLWMOSA-N 0 0 258.140 3.112 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)N1CCCC12CCCCC2 ZINC000329607221 303158716 /nfs/dbraw/zinc/15/87/16/303158716.db2.gz CIKHJFYIQPWDSU-KBPBESRZSA-N 0 0 275.396 3.391 10 30 CGEERN C#CCC(C)(C)C(=O)N1CC=C(c2cccs2)CC1 ZINC000185606628 329327630 /nfs/dbraw/zinc/32/76/30/329327630.db2.gz IDCFYTIVFGTZJJ-UHFFFAOYSA-N 0 0 273.401 3.413 10 30 CGEERN CC(C)(C)OC(=O)N1C[C@@H](C=O)C[C@H]1c1ccccc1 ZINC000095764194 327203131 /nfs/dbraw/zinc/20/31/31/327203131.db2.gz CAVGRVQPQJPMGF-JSGCOSHPSA-N 0 0 275.348 3.184 10 30 CGEERN C[C@@H]1c2ccccc2O[C@H]1C(=O)N[C@@H](C#N)C1CCCCC1 ZINC000176575585 329176930 /nfs/dbraw/zinc/17/69/30/329176930.db2.gz JHRQHIWLNJSKFV-ISTRZQFTSA-N 0 0 298.386 3.140 10 30 CGEERN C=C(Cl)CN1CCC(Nc2ccc(F)cc2)CC1 ZINC000178696164 329202362 /nfs/dbraw/zinc/20/23/62/329202362.db2.gz ACDBMYIQVMICEA-UHFFFAOYSA-N 0 0 268.763 3.455 10 30 CGEERN C=C(C)CN(C)C(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000181287709 329229446 /nfs/dbraw/zinc/22/94/46/329229446.db2.gz SQVDEHRRPSNNED-AWEZNQCLSA-N 0 0 298.390 3.151 10 30 CGEERN C=C(C)C[C@H](C)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000185972548 329337752 /nfs/dbraw/zinc/33/77/52/329337752.db2.gz SBIKORWVEXMHOZ-NSHDSACASA-N 0 0 271.320 3.277 10 30 CGEERN CCCCCCCCC(=O)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000188763040 329373103 /nfs/dbraw/zinc/37/31/03/329373103.db2.gz YLFGAWKOFIVOFS-KFWWJZLASA-N 0 0 267.413 3.421 10 30 CGEERN C[C@H](N[C@H]1CCC[C@@H]1C#N)c1cc(F)ccc1F ZINC000061891280 329681622 /nfs/dbraw/zinc/68/16/22/329681622.db2.gz HFUSOIQUHGGTPN-RBZYPMLTSA-N 0 0 250.292 3.308 10 30 CGEERN CC(C)(C)OC(=O)Nc1ccc(CC#N)c(F)c1 ZINC000536957688 330383583 /nfs/dbraw/zinc/38/35/83/330383583.db2.gz DAVLMDFTRGOBGD-UHFFFAOYSA-N 0 0 250.273 3.239 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1cc(F)c(Cl)cc1F ZINC000167553881 331308442 /nfs/dbraw/zinc/30/84/42/331308442.db2.gz RRJHORROAQAASV-KRTXAFLBSA-N 0 0 284.693 3.040 10 30 CGEERN C[C@@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)C[C@@H](C)O1 ZINC000177225747 333055324 /nfs/dbraw/zinc/05/53/24/333055324.db2.gz FIRDXPVFHREDJP-CHWSQXEVSA-N 0 0 297.320 3.166 10 30 CGEERN C=CC[C@H](C)[C@@H](C)N[C@@H](C(=O)OC)c1ccccc1 ZINC000250101057 333302342 /nfs/dbraw/zinc/30/23/42/333302342.db2.gz RJYCCWFGERXWLS-GZBFAFLISA-N 0 0 261.365 3.091 10 30 CGEERN C[C@@H]1OCC[C@H]1Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000147814609 534197575 /nfs/dbraw/zinc/19/75/75/534197575.db2.gz PMPAZTMJEXVAEO-QPUJVOFHSA-N 0 0 270.254 3.166 10 30 CGEERN O=C(C[C@@H]1CCCCNC1=O)Nc1ccc2[nH]cnc2c1 ZINC000329086913 534338627 /nfs/dbraw/zinc/33/86/27/534338627.db2.gz UYXUJQPHDCSXBT-JTQLQIEISA-N 0 0 286.335 3.298 10 30 CGEERN CC(C)CSCc1ccc(F)cc1C#CCO ZINC000049623140 519769801 /nfs/dbraw/zinc/76/98/01/519769801.db2.gz DVCNJHKMLOVQCW-UHFFFAOYSA-N 0 0 252.354 3.059 10 30 CGEERN CC(C)[C@H](C#N)C(=O)N[C@H]1CCCc2sccc21 ZINC000061366875 519808948 /nfs/dbraw/zinc/80/89/48/519808948.db2.gz PAVOVASVGVXKNN-RYUDHWBXSA-N 0 0 262.378 3.037 10 30 CGEERN CCCCOCCOc1ccc(/C(C)=N/O)cc1 ZINC000049262480 520792745 /nfs/dbraw/zinc/79/27/45/520792745.db2.gz HARHSDNSNHNIGL-NTCAYCPXSA-N 0 0 251.326 3.080 10 30 CGEERN CCC[C@@](C)(Nc1cccc(Cl)c1C#N)C(=O)OC ZINC000052908360 520927556 /nfs/dbraw/zinc/92/75/56/520927556.db2.gz WXWCRTUSOSYOJH-CQSZACIVSA-N 0 0 280.755 3.355 10 30 CGEERN C[C@@H]1CCC[C@@H](Sc2ccccc2/C(N)=N/O)C1 ZINC000054691167 524320253 /nfs/dbraw/zinc/32/02/53/524320253.db2.gz SJJBIAYQUWTUDJ-GHMZBOCLSA-N 0 0 264.394 3.452 10 30 CGEERN Cc1cc(Oc2cccc([N+](=O)[O-])c2)c(C#N)c(C)n1 ZINC000156604519 525386806 /nfs/dbraw/zinc/38/68/06/525386806.db2.gz PDSRKORZJLBAIM-UHFFFAOYSA-N 0 0 269.260 3.271 10 30 CGEERN C[C@H]1CCCC[C@H]1Oc1cc(Cl)ccc1/C(N)=N/O ZINC000062789623 526263015 /nfs/dbraw/zinc/26/30/15/526263015.db2.gz LZZBTIJYKBVUOY-JOYOIKCWSA-N 0 0 282.771 3.392 10 30 CGEERN N#CCCn1cc(-c2ccc(Br)cc2)cn1 ZINC000049870024 526466254 /nfs/dbraw/zinc/46/62/54/526466254.db2.gz RMQCICBOIKTGDC-UHFFFAOYSA-N 0 0 276.137 3.226 10 30 CGEERN N#C[C@H](C(=O)c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000052902716 526509284 /nfs/dbraw/zinc/50/92/84/526509284.db2.gz XIEPVFPINMZAHC-JTQLQIEISA-N 0 0 272.285 3.146 10 30 CGEERN N#Cc1cc(Cl)ccc1NCc1ccc(N)cc1 ZINC000052858828 526554183 /nfs/dbraw/zinc/55/41/83/526554183.db2.gz ZQISIBGTTXBJDA-UHFFFAOYSA-N 0 0 257.724 3.406 10 30 CGEERN N#Cc1cc(Cl)ccc1Sc1ncccc1N ZINC000052859196 526554367 /nfs/dbraw/zinc/55/43/67/526554367.db2.gz ILIMJUDSGNOASJ-UHFFFAOYSA-N 0 0 261.737 3.340 10 30 CGEERN N#Cc1cc(=O)c2cc(OCc3ccccc3)ccc2[nH]1 ZINC000062669442 526574651 /nfs/dbraw/zinc/57/46/51/526574651.db2.gz MQSHUMARICQYJF-UHFFFAOYSA-N 0 0 276.295 3.391 10 30 CGEERN N#Cc1ncccc1CN(Cc1ccsc1)C1CC1 ZINC000061664412 526790211 /nfs/dbraw/zinc/79/02/11/526790211.db2.gz ZCECUELIASCPRZ-UHFFFAOYSA-N 0 0 269.373 3.179 10 30 CGEERN N/C(=N/O)c1ccc(Cl)cc1Oc1cccc(F)c1 ZINC000062789606 526803186 /nfs/dbraw/zinc/80/31/86/526803186.db2.gz CJRUZFWOVAYSRN-UHFFFAOYSA-N 0 0 280.686 3.366 10 30 CGEERN C=CCCC[C@@H](C)Nc1cncc(-n2ccnc2C)n1 ZINC000302035749 527272336 /nfs/dbraw/zinc/27/23/36/527272336.db2.gz UOQFGSNFQSBMTP-GFCCVEGCSA-N 0 0 271.368 3.127 10 30 CGEERN C=CCCC[C@H](C)Nc1cncc(-n2ccnc2C)n1 ZINC000302035750 527297846 /nfs/dbraw/zinc/29/78/46/527297846.db2.gz UOQFGSNFQSBMTP-LBPRGKRZSA-N 0 0 271.368 3.127 10 30 CGEERN C=C(Cl)CC(=O)[C@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000685959306 570406643 /nfs/dbraw/zinc/40/66/43/570406643.db2.gz RLQYHZIDDCAGOJ-LLVKDONJSA-N 0 0 273.760 3.001 10 30 CGEERN Cc1nc(C#N)cc(N[C@H](C)c2ccc(C)c(F)c2)n1 ZINC000308266205 618200834 /nfs/dbraw/zinc/20/08/34/618200834.db2.gz PQLCERRRMFHSHG-SNVBAGLBSA-N 0 0 270.311 3.277 10 30 CGEERN CCCCCCCCC(=O)NC[C@@H]1CCC[C@@H]1O ZINC000091315937 618643463 /nfs/dbraw/zinc/64/34/63/618643463.db2.gz OAOXOEDPUFJDIN-KBPBESRZSA-N 0 0 255.402 3.014 10 30 CGEERN C=C(Br)CNC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000161918282 618728188 /nfs/dbraw/zinc/72/81/88/618728188.db2.gz RRZGUNWFNKZUFD-NWDGAFQWSA-N 0 0 286.213 3.228 10 30 CGEERN N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000061891391 623186258 /nfs/dbraw/zinc/18/62/58/623186258.db2.gz CPZYEIVAQCFSLP-PELKAZGASA-N 0 0 285.174 3.481 10 30 CGEERN C#Cc1cccc(N(Cc2ccco2)C(=O)[C@H](C)COC)c1 ZINC000103394354 626336926 /nfs/dbraw/zinc/33/69/26/626336926.db2.gz RHZOWERNHNSUID-CQSZACIVSA-N 0 0 297.354 3.077 10 30 CGEERN C[C@H](S)C[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000757162241 630587300 /nfs/dbraw/zinc/58/73/00/630587300.db2.gz CKWJMWGGSWDHBS-QWRGUYRKSA-N 0 0 259.415 3.484 10 30 CGEERN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@H]1S ZINC000757162362 630587885 /nfs/dbraw/zinc/58/78/85/630587885.db2.gz CYEMTMZSLJVQQA-QJPTWQEYSA-N 0 0 271.426 3.484 10 30 CGEERN CC(=O)[C@H]1CCCN(c2cc(Cl)ccc2C#N)C1 ZINC000104417036 638032992 /nfs/dbraw/zinc/03/29/92/638032992.db2.gz XFPCFXCFRSRBBF-LBPRGKRZSA-N 0 0 262.740 3.017 10 30 CGEERN C#CCOc1ccccc1NC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000188061528 640117027 /nfs/dbraw/zinc/11/70/27/640117027.db2.gz ZVMYCOQWNKSNDW-ZDUSSCGKSA-N 0 0 298.342 3.483 10 30 CGEERN C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1occc1C(=O)[O-] ZINC000692246183 976408325 /nfs/dbraw/zinc/40/83/25/976408325.db2.gz GJFSYOFODLLPOE-YPMHNXCESA-N 0 0 263.337 3.202 10 30 CGEERN CC(C)(C)[S@@](=O)/N=C\c1ccccc1Br ZINC000095627227 185016949 /nfs/dbraw/zinc/01/69/49/185016949.db2.gz VMEHKEMQFHRFLH-ODDCISTRSA-N 0 0 288.210 3.330 10 30 CGEERN CC(=O)Oc1cn(Cc2ccccc2)c2ccc(C#N)cc12 ZINC000096675606 185109800 /nfs/dbraw/zinc/10/98/00/185109800.db2.gz ZSTCGNRGJKZQHY-UHFFFAOYSA-N 0 0 290.322 3.487 10 30 CGEERN CCc1csc(NC(=O)[C@@H]2OCC[C@@H]2C(C)C)n1 ZINC000329261955 529685109 /nfs/dbraw/zinc/68/51/09/529685109.db2.gz DCZYNIHMQHSTDL-GHMZBOCLSA-N 0 0 268.382 3.355 10 30 CGEERN C[C@H](C#N)Nc1ccc(Br)cc1Cl ZINC000043514802 345000003 /nfs/dbraw/zinc/00/00/03/345000003.db2.gz DSYLRBVNZSBXMT-ZCFIWIBFSA-N 0 0 259.534 3.426 10 30 CGEERN CC[C@H](CC#N)n1nc(C)c(Br)c1C ZINC000050593200 345084007 /nfs/dbraw/zinc/08/40/07/345084007.db2.gz JLOMHKCJVMIUBS-SECBINFHSA-N 0 0 256.147 3.127 10 30 CGEERN O=C1C=CO[C@H](c2ccc(Br)cc2F)C1 ZINC000069850366 345386166 /nfs/dbraw/zinc/38/61/66/345386166.db2.gz AQNFFPQBLHTAGX-NSHDSACASA-N 0 0 271.085 3.132 10 30 CGEERN C[C@@]1(c2ccccc2Br)CC(=O)C=CO1 ZINC000069852267 345386250 /nfs/dbraw/zinc/38/62/50/345386250.db2.gz DMGAYPYSHPFOCB-LBPRGKRZSA-N 0 0 267.122 3.167 10 30 CGEERN C[C@H](C#N)Oc1cc(Br)ccc1Cl ZINC000070984050 345400166 /nfs/dbraw/zinc/40/01/66/345400166.db2.gz MTRWBZDEPZWJGR-ZCFIWIBFSA-N 0 0 260.518 3.393 10 30 CGEERN N#Cc1nccnc1N[C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000078360013 345603710 /nfs/dbraw/zinc/60/37/10/345603710.db2.gz BXCAGKMCCTVVDN-KBPBESRZSA-N 0 0 282.322 3.236 10 30 CGEERN N#Cc1ccc(C(F)(F)F)nc1N1C[C@H]2CC=CC[C@@H]2C1 ZINC000078370864 345604389 /nfs/dbraw/zinc/60/43/89/345604389.db2.gz LVKKTDJFMUCJKR-VXGBXAGGSA-N 0 0 293.292 3.374 10 30 CGEERN Cc1cc(N2CC[C@@H](C)C[C@@H](C)C2)c(C#N)c(C)n1 ZINC000301773012 301340981 /nfs/dbraw/zinc/34/09/81/301340981.db2.gz MDCASZKWACGPJY-VXGBXAGGSA-N 0 0 257.381 3.443 10 30 CGEERN Cc1ccc(C#N)cc1NC(=O)N[C@H](C)CC1CC1 ZINC000171863656 232270478 /nfs/dbraw/zinc/27/04/78/232270478.db2.gz BMRNRJJXKXAMMO-LLVKDONJSA-N 0 0 257.337 3.177 10 30 CGEERN C[C@H](C#N)NC(=O)C(C)(C)CCCc1ccccc1 ZINC000112631936 345957406 /nfs/dbraw/zinc/95/74/06/345957406.db2.gz GKRYOSAJMGXEDU-CYBMUJFWSA-N 0 0 258.365 3.064 10 30 CGEERN C#Cc1cccc(Nc2ncnc3cc(OC)c(O)cc32)c1 ZINC000114304708 345963801 /nfs/dbraw/zinc/96/38/01/345963801.db2.gz ADVNQWPCPQAQOL-UHFFFAOYSA-N 0 0 291.310 3.069 10 30 CGEERN C=CC1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000110359907 345944681 /nfs/dbraw/zinc/94/46/81/345944681.db2.gz LCOWTNAHHCFKTD-ZIAGYGMSSA-N 0 0 291.341 3.493 10 30 CGEERN C[C@](O)(CC#N)c1ccc(Br)cc1Cl ZINC000135065007 346085875 /nfs/dbraw/zinc/08/58/75/346085875.db2.gz HECZGQRUTIGZLA-JTQLQIEISA-N 0 0 274.545 3.224 10 30 CGEERN CCOC(=O)C[C@@H]1CCC[C@H](CCC#N)/C1=C\OC ZINC000136563307 346091838 /nfs/dbraw/zinc/09/18/38/346091838.db2.gz UHMNQWISVSSBTD-PDRVLSSUSA-N 0 0 265.353 3.190 10 30 CGEERN Cn1c2ccccc2c2c1cccc2OC[C@@H]1CO1 ZINC000143017633 346112618 /nfs/dbraw/zinc/11/26/18/346112618.db2.gz JKYBQKVLLNCEDZ-NSHDSACASA-N 0 0 253.301 3.109 10 30 CGEERN C=C(C)c1ccc(-n2ncc(C(=O)OC)c2C)cc1 ZINC000146538378 346123402 /nfs/dbraw/zinc/12/34/02/346123402.db2.gz VGDNITHWWVMVON-UHFFFAOYSA-N 0 0 256.305 3.000 10 30 CGEERN C[C@H](C#N)Sc1ccc(N)cc1Br ZINC000148244486 346127712 /nfs/dbraw/zinc/12/77/12/346127712.db2.gz JKOYIUUMLUWHKU-ZCFIWIBFSA-N 0 0 257.156 3.035 10 30 CGEERN N#CC[C@@H](O)c1ccc(Br)cc1Cl ZINC000161124154 346174646 /nfs/dbraw/zinc/17/46/46/346174646.db2.gz DVFSXHYVKUMUAK-SECBINFHSA-N 0 0 260.518 3.050 10 30 CGEERN C[C@H](CC#N)C(=O)c1ccc(Br)c(F)c1 ZINC000161538290 346175668 /nfs/dbraw/zinc/17/56/68/346175668.db2.gz YYUZMZXTVDRTRD-SSDOTTSWSA-N 0 0 270.101 3.321 10 30 CGEERN O=C(CS)Nc1c(Cl)cc(F)cc1Cl ZINC000157712499 346162527 /nfs/dbraw/zinc/16/25/27/346162527.db2.gz BBJNZGKOEACMKF-UHFFFAOYSA-N 0 0 254.113 3.001 10 30 CGEERN C=C(Br)CNc1cccc(Cl)c1N ZINC000168195937 346189666 /nfs/dbraw/zinc/18/96/66/346189666.db2.gz MLZKNJZTJZWWLX-UHFFFAOYSA-N 0 0 261.550 3.243 10 30 CGEERN C/C=C/COc1ccc(C#N)cc1Br ZINC000169190438 346191802 /nfs/dbraw/zinc/19/18/02/346191802.db2.gz DNWRVMXSNJOBCY-NSCUHMNNSA-N 0 0 252.111 3.276 10 30 CGEERN Cc1ccnc(N2CCC(c3nccs3)CC2)c1C#N ZINC000363669249 136523822 /nfs/dbraw/zinc/52/38/22/136523822.db2.gz HSHPIKXGLRTFFU-UHFFFAOYSA-N 0 0 284.388 3.102 10 30 CGEERN Cc1cc(C(=O)c2ccccc2F)c(N)c(C#N)c1C ZINC000207174251 346284127 /nfs/dbraw/zinc/28/41/27/346284127.db2.gz VMAXTAJJOYCHRG-UHFFFAOYSA-N 0 0 268.291 3.127 10 30 CGEERN C=CC[C@@]1(COCc2ccccc2)CC[C@@H](OC)O1 ZINC000225940476 346306078 /nfs/dbraw/zinc/30/60/78/346306078.db2.gz DYGVOZROBINVGB-HOTGVXAUSA-N 0 0 262.349 3.301 10 30 CGEERN C#CC[C@H](C)Nc1ncc(Br)cc1Cl ZINC000235085341 346333078 /nfs/dbraw/zinc/33/30/78/346333078.db2.gz VQGNGOONSWDPSE-ZETCQYMHSA-N 0 0 273.561 3.321 10 30 CGEERN C#CCC[C@@H](O)c1ccc(F)cc1Br ZINC000228648454 346314950 /nfs/dbraw/zinc/31/49/50/346314950.db2.gz LGWHUDPNDICCJU-LLVKDONJSA-N 0 0 257.102 3.035 10 30 CGEERN N#Cc1ccc2c(F)ccc(Br)c2n1 ZINC000232223906 346325257 /nfs/dbraw/zinc/32/52/57/346325257.db2.gz BDRXASYHRHOLHO-UHFFFAOYSA-N 0 0 251.058 3.008 10 30 CGEERN C[C@@H](Nc1ncncc1C#N)c1ccccc1Cl ZINC000302538311 346441127 /nfs/dbraw/zinc/44/11/27/346441127.db2.gz IHKHAEOMBISVBU-SECBINFHSA-N 0 0 258.712 3.175 10 30 CGEERN N#Cc1cccc(Br)c1OC(F)(F)F ZINC000307272944 346461367 /nfs/dbraw/zinc/46/13/67/346461367.db2.gz GZDPBKSNQRIDPU-UHFFFAOYSA-N 0 0 266.016 3.219 10 30 CGEERN COC(=O)c1ccc(/N=C/c2cccc(OC)c2)cc1 ZINC000100042335 185702142 /nfs/dbraw/zinc/70/21/42/185702142.db2.gz BENGWRZJZPTMIZ-GZTJUZNOSA-N 0 0 269.300 3.232 10 30 CGEERN N#Cc1cccc2c1CN(C[C@@H]1Cc3ccccc31)C2 ZINC000405150643 346602338 /nfs/dbraw/zinc/60/23/38/346602338.db2.gz QTXWGDAZVRLMLT-INIZCTEOSA-N 0 0 260.340 3.214 10 30 CGEERN N#C[C@H](c1ccc(F)cc1F)[C@H](CCO)c1cncs1 ZINC000584639227 346702291 /nfs/dbraw/zinc/70/22/91/346702291.db2.gz DXSPLMHWZJBONM-NWDGAFQWSA-N 0 0 294.326 3.195 10 30 CGEERN N#C[C@@H](c1ccc(F)cc1F)[C@H](CCO)c1cncs1 ZINC000584639228 346702401 /nfs/dbraw/zinc/70/24/01/346702401.db2.gz DXSPLMHWZJBONM-RYUDHWBXSA-N 0 0 294.326 3.195 10 30 CGEERN CC(C)(C)OC(=O)CC[C@@H](O)CCCCCCC=O ZINC000584649825 346704453 /nfs/dbraw/zinc/70/44/53/346704453.db2.gz NVNYCSSQJOALLC-ZDUSSCGKSA-N 0 0 272.385 3.009 10 30 CGEERN CCc1cccc(/C(=N/OC(C)=O)c2ccccc2)c1O ZINC000584605076 346690355 /nfs/dbraw/zinc/69/03/55/346690355.db2.gz LKKKLNYKDPHULD-FBMGVBCBSA-N 0 0 283.327 3.270 10 30 CGEERN Oc1ccc(C(N=Nc2ccccn2)c2ccccn2)cc1 ZINC000584605152 346690571 /nfs/dbraw/zinc/69/05/71/346690571.db2.gz AWCRQPRILOYNBQ-FXBPSFAMSA-N 0 0 290.326 3.047 10 30 CGEERN C[C@@H](CC(=O)Nc1ccc(N)cc1C#N)C(C)(C)C ZINC000104434010 186000859 /nfs/dbraw/zinc/00/08/59/186000859.db2.gz NJFNKSDWEPZRQX-JTQLQIEISA-N 0 0 259.353 3.151 10 30 CGEERN N#Cc1ccc2c(c1)O[C@](F)(Cl)[C@@](F)(Cl)O2 ZINC000091252453 180114933 /nfs/dbraw/zinc/11/49/33/180114933.db2.gz PFKJVDZATHNTLQ-IUCAKERBSA-N 0 0 266.030 3.054 10 30 CGEERN CCCCCCCCCCNC(=O)[C@H]([NH3+])CCC ZINC000106262379 186105964 /nfs/dbraw/zinc/10/59/64/186105964.db2.gz GEJOLMGSMXIOQZ-CQSZACIVSA-N 0 0 256.434 3.371 10 30 CGEERN C#CCCCCNC(=O)N[C@@H](C)c1ccccc1C ZINC000158663747 188388578 /nfs/dbraw/zinc/38/85/78/188388578.db2.gz XHQRZBKAKNKHHF-AWEZNQCLSA-N 0 0 258.365 3.159 10 30 CGEERN Fc1ccccc1C=NN=c1[nH]c2ccccc2[nH]1 ZINC000033526518 283028769 /nfs/dbraw/zinc/02/87/69/283028769.db2.gz OQIVLCCQGYQPCO-SXGWCWSVSA-N 0 0 254.268 3.148 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NCc1ccc2c(c1)OCCCCO2 ZINC000333608124 283065318 /nfs/dbraw/zinc/06/53/18/283065318.db2.gz WFGVYOQNHUJOCP-CABCVRRESA-N 0 0 286.375 3.020 10 30 CGEERN N#Cc1ccc(N[C@@H]2CCOc3ccccc32)cc1 ZINC000019951612 283180659 /nfs/dbraw/zinc/18/06/59/283180659.db2.gz PVHCLZHSCGNLSQ-OAHLLOKOSA-N 0 0 250.301 3.494 10 30 CGEERN CCS[C@H]1CC[C@@]1(O)CNc1ccc(C#N)c(Cl)c1 ZINC000301485535 201023921 /nfs/dbraw/zinc/02/39/21/201023921.db2.gz HEXDOLGKBRCMSF-UONOGXRCSA-N 0 0 296.823 3.270 10 30 CGEERN Cc1cc(N(C)Cc2ccc(C#N)cc2)c(C#N)c(C)n1 ZINC000301787151 201197698 /nfs/dbraw/zinc/19/76/98/201197698.db2.gz PJIWRJNNQDNFAL-UHFFFAOYSA-N 0 0 276.343 3.078 10 30 CGEERN Cc1cc(N[C@H](C)c2ccc3c(c2)OCO3)c(C#N)c(C)n1 ZINC000301778533 201192113 /nfs/dbraw/zinc/19/21/13/201192113.db2.gz MDVZXKQLHIEGQQ-LLVKDONJSA-N 0 0 295.342 3.472 10 30 CGEERN CC(=O)c1ccc(C#N)cc1N(C)Cc1nc(C)cs1 ZINC000302080991 201334987 /nfs/dbraw/zinc/33/49/87/201334987.db2.gz BWZRCEYXPVDPLG-UHFFFAOYSA-N 0 0 285.372 3.162 10 30 CGEERN C[C@H](Nc1cc(C#N)c2cc(Cl)ccc2n1)c1nc[nH]n1 ZINC000302078982 201335343 /nfs/dbraw/zinc/33/53/43/201335343.db2.gz ZKUUYIIVHSVYFM-QMMMGPOBSA-N 0 0 298.737 3.051 10 30 CGEERN CC#CCNC(=O)[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000121470340 370864625 /nfs/dbraw/zinc/86/46/25/370864625.db2.gz OZPJUJFWMRZPHL-CVEARBPZSA-N 0 0 255.361 3.053 10 30 CGEERN S=C(N/N=C/C=C/c1ccccc1)N[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000004322238 368543310 /nfs/dbraw/zinc/54/33/10/368543310.db2.gz YOONQWDZLCUVFZ-YYAXOZJXSA-N 0 0 297.427 3.114 10 30 CGEERN CCCCOc1ccc(CC[C@H](C)N(O)C(C)=O)cc1 ZINC000026149266 368855506 /nfs/dbraw/zinc/85/55/06/368855506.db2.gz HVBZUKBIXCRUAU-ZDUSSCGKSA-N 0 0 279.380 3.424 10 30 CGEERN COc1cccc(/C=N\N=C/c2cccc(OC)c2)c1 ZINC000033374344 368963790 /nfs/dbraw/zinc/96/37/90/368963790.db2.gz FBNPHFBYHYNMHC-WHYMJUELSA-N 0 0 268.316 3.157 10 30 CGEERN Cc1ccc(C#N)c(N2CCc3sccc3[C@H]2C)n1 ZINC000043399874 369251286 /nfs/dbraw/zinc/25/12/86/369251286.db2.gz AVYJHWAJCAFJHV-LLVKDONJSA-N 0 0 269.373 3.447 10 30 CGEERN C=CCOc1cccc(NC(=O)N[C@H](C)C(C)C)c1 ZINC000048955438 369376556 /nfs/dbraw/zinc/37/65/56/369376556.db2.gz RZXMWWCOPWSYHX-GFCCVEGCSA-N 0 0 262.353 3.417 10 30 CGEERN Cc1ccc(NC(=S)N/N=C\c2ccccc2O)cc1 ZINC000058983826 369577717 /nfs/dbraw/zinc/57/77/17/369577717.db2.gz OVHMKBPLRDYIKQ-YBEGLDIGSA-N 0 0 285.372 3.021 10 30 CGEERN C[C@H](Nc1ccc(C#N)c(Cl)c1)[C@H]1CCCO1 ZINC000061846010 369608086 /nfs/dbraw/zinc/60/80/86/369608086.db2.gz RVOUSZYVDVBCRB-TVQRCGJNSA-N 0 0 250.729 3.191 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000061888709 369609865 /nfs/dbraw/zinc/60/98/65/369609865.db2.gz OLDVKGRBPBJEBA-CMPLNLGQSA-N 0 0 282.265 3.127 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NCc1ccc(OC(F)F)cc1 ZINC000061891052 369610907 /nfs/dbraw/zinc/61/09/07/369610907.db2.gz LFRZBQOJSQZSNZ-YPMHNXCESA-N 0 0 266.291 3.070 10 30 CGEERN C=CCOc1ccccc1CN[C@H]1CCC[C@H]1C#N ZINC000061892113 369610923 /nfs/dbraw/zinc/61/09/23/369610923.db2.gz OYSQNHATSMHKKR-ZFWWWQNUSA-N 0 0 256.349 3.033 10 30 CGEERN C=CCCO[C@H](C)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000066311573 369692146 /nfs/dbraw/zinc/69/21/46/369692146.db2.gz QUDXEELZMQNBNW-WOPDTQHZSA-N 0 0 293.329 3.205 10 30 CGEERN N#CC1(c2cccc(Br)c2)CCC(=O)CC1 ZINC000076447430 369938162 /nfs/dbraw/zinc/93/81/62/369938162.db2.gz XVIOJGZMLNITHS-UHFFFAOYSA-N 0 0 278.149 3.354 10 30 CGEERN N#Cc1cc(Br)ccc1NC1CCC(O)CC1 ZINC000096008541 370203390 /nfs/dbraw/zinc/20/33/90/370203390.db2.gz JTTCXAHXOOSPPY-UHFFFAOYSA-N 0 0 295.180 3.036 10 30 CGEERN C#Cc1cccc(N(C)C(=O)CSC(C)(C)C)c1 ZINC000103033402 370317248 /nfs/dbraw/zinc/31/72/48/370317248.db2.gz GMBSYLXFCLEQNH-UHFFFAOYSA-N 0 0 261.390 3.162 10 30 CGEERN N#Cc1ccc(Oc2ccc(C=O)c3ccoc32)nc1 ZINC000098180891 370269427 /nfs/dbraw/zinc/26/94/27/370269427.db2.gz ZLPITFJKLVAGBK-UHFFFAOYSA-N 0 0 264.240 3.304 10 30 CGEERN COC(=O)c1ccccc1/N=C\Cc1ccccc1 ZINC000100392274 370278193 /nfs/dbraw/zinc/27/81/93/370278193.db2.gz UTUBQSIVMXUACR-ATVHPVEESA-N 0 0 253.301 3.418 10 30 CGEERN C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1ccc(CC#N)cc1 ZINC000117581634 370595697 /nfs/dbraw/zinc/59/56/97/370595697.db2.gz YVPXIYLVABGDEK-YVEFUNNKSA-N 0 0 292.338 3.256 10 30 CGEERN N#C[C@H]1CCC[C@H]1NCc1cc(Cl)ccc1F ZINC000131750543 371127836 /nfs/dbraw/zinc/12/78/36/371127836.db2.gz UPRNOCOWIFLXKV-NOZJJQNGSA-N 0 0 252.720 3.261 10 30 CGEERN C=CCC(CC=C)C(=O)N1CCO[C@H](c2ccc(C)o2)C1 ZINC000134169597 371309369 /nfs/dbraw/zinc/30/93/69/371309369.db2.gz KDPVXPDTMXRGEW-INIZCTEOSA-N 0 0 289.375 3.256 10 30 CGEERN C[C@@H]1COC[C@H](C)N1Cc1ccccc1C(C)(C)C#N ZINC000135247560 371405566 /nfs/dbraw/zinc/40/55/66/371405566.db2.gz LSBHFCVKZYQQSZ-OKILXGFUSA-N 0 0 272.392 3.097 10 30 CGEERN Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2C#N)ccc1Cl ZINC000135026068 371385099 /nfs/dbraw/zinc/38/50/99/371385099.db2.gz CDBWYUVKHDPEBF-DGCLKSJQSA-N 0 0 262.740 3.071 10 30 CGEERN C=C(C)CNC(=O)N[C@@H](C)c1ccccc1Br ZINC000156490245 371980900 /nfs/dbraw/zinc/98/09/00/371980900.db2.gz UJEVSPOYZYQPPQ-JTQLQIEISA-N 0 0 297.196 3.385 10 30 CGEERN C=C(C)CNC(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000163142407 372449455 /nfs/dbraw/zinc/44/94/55/372449455.db2.gz FWOMFCXPRHMZJV-VIFPVBQESA-N 0 0 270.735 3.415 10 30 CGEERN C=CCOc1cccc(NC(=O)N2CCS[C@@H](C)C2)c1 ZINC000171380327 372746991 /nfs/dbraw/zinc/74/69/91/372746991.db2.gz DHWVXIRWXQCNFB-LBPRGKRZSA-N 0 0 292.404 3.221 10 30 CGEERN N#Cc1csc(C(=O)N2CCC[C@H]2c2ccco2)c1 ZINC000177073840 373653775 /nfs/dbraw/zinc/65/37/75/373653775.db2.gz LDTGCIZRAYYNLQ-NSHDSACASA-N 0 0 272.329 3.190 10 30 CGEERN O=C(Nc1cccc2ccsc21)N1CC[C@H](CCO)C1 ZINC000328781962 374382488 /nfs/dbraw/zinc/38/24/88/374382488.db2.gz JOECLIRYGMQJHM-LLVKDONJSA-N 0 0 290.388 3.151 10 30 CGEERN C[C@H](NC(=O)C[C@H]1CCCCC(=O)N1)c1cccnc1 ZINC000329841956 374435870 /nfs/dbraw/zinc/43/58/70/374435870.db2.gz OTSGSHKDQRAOPJ-WCQYABFASA-N 0 0 275.352 3.388 10 30 CGEERN C=C(C)C[C@H](C)C(=O)NCC[C@@H](C)NC(=O)OC(C)(C)C ZINC000185380301 374652693 /nfs/dbraw/zinc/65/26/93/374652693.db2.gz QQZMOKDBKSPSMC-QWHCGFSZSA-N 0 0 298.427 3.008 10 30 CGEERN CCC[C@H](CC)Nc1cnn(-c2ncccc2C#N)c1 ZINC000186007537 374782834 /nfs/dbraw/zinc/78/28/34/374782834.db2.gz JAIHDFHXDLMFBJ-ZDUSSCGKSA-N 0 0 269.352 3.130 10 30 CGEERN C=CCCCCCN1CCO[C@H](c2nccs2)C1 ZINC000193343163 375863915 /nfs/dbraw/zinc/86/39/15/375863915.db2.gz WSQZZCKLYKOUNB-ZDUSSCGKSA-N 0 0 266.410 3.263 10 30 CGEERN O/N=C(/c1ccccc1)c1ccccc1-c1ncc[nH]1 ZINC000215934383 376155536 /nfs/dbraw/zinc/15/55/36/376155536.db2.gz WGKIWFCGZYPLQF-CYVLTUHYSA-N 0 0 263.300 3.303 10 30 CGEERN CC(C)COCCNc1c(C#N)cnc2ccccc21 ZINC000229338014 376461787 /nfs/dbraw/zinc/46/17/87/376461787.db2.gz KBPUFPBZCDBSPX-UHFFFAOYSA-N 0 0 269.348 3.191 10 30 CGEERN C[C@@H]1CC(Nc2ccc([N+](=O)[O-])c(C#N)n2)C[C@@H](C)C1 ZINC000235292891 376637955 /nfs/dbraw/zinc/63/79/55/376637955.db2.gz PLLOKTHXXNOOKI-UWVGGRQHSA-N 0 0 274.324 3.098 10 30 CGEERN Cc1csc([C@H]2CCCN(C[C@@H](C#N)CCC#N)C2)n1 ZINC000249868525 377538417 /nfs/dbraw/zinc/53/84/17/377538417.db2.gz IUMMHUKACUPLSO-KGLIPLIRSA-N 0 0 288.420 3.074 10 30 CGEERN CCOC(=O)Cc1cc(C(F)(F)F)cc(C#N)c1CC ZINC000575390156 377898285 /nfs/dbraw/zinc/89/82/85/377898285.db2.gz XDSQJBUHZSGWGD-UHFFFAOYSA-N 0 0 285.265 3.245 10 30 CGEERN CCOC(=O)c1c(F)cc(C#N)cc1SC(F)(F)F ZINC000575390654 377898525 /nfs/dbraw/zinc/89/85/25/377898525.db2.gz LTRKQKVDOYFJOG-UHFFFAOYSA-N 0 0 293.241 3.486 10 30 CGEERN COC(=O)c1c(C#N)cc(C(F)(F)F)cc1C(F)F ZINC000575343691 377883588 /nfs/dbraw/zinc/88/35/88/377883588.db2.gz BJLFXMGZSRJQPQ-UHFFFAOYSA-N 0 0 279.164 3.301 10 30 CGEERN COC(=O)c1ccc(C(F)(F)F)c(C(F)F)c1C#N ZINC000575343713 377883712 /nfs/dbraw/zinc/88/37/12/377883712.db2.gz CSYWZBRPBHWECD-UHFFFAOYSA-N 0 0 279.164 3.301 10 30 CGEERN C=CCC1(CC=C)C=CC(O)(O)C(c2ccccc2)=C1 ZINC000575349459 377884672 /nfs/dbraw/zinc/88/46/72/377884672.db2.gz JDTPAFOKLOGAQA-UHFFFAOYSA-N 0 0 268.356 3.459 10 30 CGEERN N#Cc1c(N)ccc(C(F)(F)F)c1C(F)(F)F ZINC000575380254 377891307 /nfs/dbraw/zinc/89/13/07/377891307.db2.gz QNKDLEBNCBHENS-UHFFFAOYSA-N 0 0 254.133 3.178 10 30 CGEERN CCOC(=O)Cc1cc(Cl)c(C#N)cc1C(F)(F)F ZINC000575383258 377893820 /nfs/dbraw/zinc/89/38/20/377893820.db2.gz LJQRKDPLJROKBK-UHFFFAOYSA-N 0 0 291.656 3.336 10 30 CGEERN CCOC(=O)Cc1cc(CC)cc(C(F)(F)F)c1C#N ZINC000575389281 377896141 /nfs/dbraw/zinc/89/61/41/377896141.db2.gz FBXYSJPZXFZPLG-UHFFFAOYSA-N 0 0 285.265 3.245 10 30 CGEERN COC(=O)c1ccc(C(F)F)c(C#N)c1OC(F)(F)F ZINC000575387903 377896503 /nfs/dbraw/zinc/89/65/03/377896503.db2.gz WXGGTZGIKXVSGO-UHFFFAOYSA-N 0 0 295.163 3.181 10 30 CGEERN CCOc1cc(C(F)(F)F)cc(CC#N)c1C#N ZINC000575642636 377926165 /nfs/dbraw/zinc/92/61/65/377926165.db2.gz FSBZNVODOXUBLA-UHFFFAOYSA-N 0 0 254.211 3.042 10 30 CGEERN N#CCc1c(OC(F)F)cc([N+](=O)[O-])cc1C(F)F ZINC000575653123 377930797 /nfs/dbraw/zinc/93/07/97/377930797.db2.gz WTXZSJXJMMJKLD-UHFFFAOYSA-N 0 0 278.161 3.200 10 30 CGEERN CCOc1cc(CC#N)cc(CC)c1OC(F)F ZINC000575655131 377932743 /nfs/dbraw/zinc/93/27/43/377932743.db2.gz IIXXTLGBSMZYIL-UHFFFAOYSA-N 0 0 255.264 3.315 10 30 CGEERN CCOc1cc(OC(F)F)cc(CC)c1CC#N ZINC000575655494 377933070 /nfs/dbraw/zinc/93/30/70/377933070.db2.gz KAYNOBMTYDGMES-UHFFFAOYSA-N 0 0 255.264 3.315 10 30 CGEERN COc1cc(C(F)(F)F)cc(OC(F)F)c1CC#N ZINC000575666427 377942951 /nfs/dbraw/zinc/94/29/51/377942951.db2.gz VHHJCGRSZNOZKN-UHFFFAOYSA-N 0 0 281.180 3.381 10 30 CGEERN Cc1cc(C#N)c(C(F)(F)F)c(OC(F)F)c1 ZINC000575665677 377943118 /nfs/dbraw/zinc/94/31/18/377943118.db2.gz SXGXFATUWCUOLG-UHFFFAOYSA-N 0 0 251.154 3.487 10 30 CGEERN N#CCc1ccc([N+](=O)[O-])c(OC(F)F)c1C(F)(F)F ZINC000575666986 377944113 /nfs/dbraw/zinc/94/41/13/377944113.db2.gz NASUIJCLXMRMQK-UHFFFAOYSA-N 0 0 296.151 3.281 10 30 CGEERN N#CCc1ccc(C(F)(F)F)c([N+](=O)[O-])c1OC(F)F ZINC000575667879 377945429 /nfs/dbraw/zinc/94/54/29/377945429.db2.gz RXDYIMDSJLZRGE-UHFFFAOYSA-N 0 0 296.151 3.281 10 30 CGEERN CCOc1cc(OC(F)(F)F)c(C#N)cc1CC ZINC000575670984 377947654 /nfs/dbraw/zinc/94/76/54/377947654.db2.gz FINBOAPNNKKPCN-UHFFFAOYSA-N 0 0 259.227 3.418 10 30 CGEERN Cc1cc(OC(F)F)cc(Br)c1CC#N ZINC000575682964 377957088 /nfs/dbraw/zinc/95/70/88/377957088.db2.gz HVZARJCYNCCOJA-UHFFFAOYSA-N 0 0 276.080 3.425 10 30 CGEERN N#CCc1ccc(Cl)c([N+](=O)[O-])c1Br ZINC000575678581 377952873 /nfs/dbraw/zinc/95/28/73/377952873.db2.gz QIOXJXBRKVSPEF-UHFFFAOYSA-N 0 0 275.489 3.077 10 30 CGEERN COC(=O)c1cc(C)c(C#N)c(SC(F)(F)F)c1 ZINC000575395123 377902524 /nfs/dbraw/zinc/90/25/24/377902524.db2.gz ORUSQDBZZMJLKN-UHFFFAOYSA-N 0 0 275.251 3.265 10 30 CGEERN CCOC(=O)c1ccc(C(F)(F)F)c(C#N)c1C ZINC000575394310 377902634 /nfs/dbraw/zinc/90/26/34/377902634.db2.gz BRFDJASAJZNDNC-UHFFFAOYSA-N 0 0 257.211 3.062 10 30 CGEERN COC(=O)Cc1c(C)cc(C#N)cc1SC(F)(F)F ZINC000575395443 377903607 /nfs/dbraw/zinc/90/36/07/377903607.db2.gz CXGYTPARTJYPSG-UHFFFAOYSA-N 0 0 289.278 3.194 10 30 CGEERN Nc1cc(C(F)(F)F)c(OC(F)(F)F)cc1F ZINC000575397396 377905022 /nfs/dbraw/zinc/90/50/22/377905022.db2.gz XSQRBASLHLLNLE-UHFFFAOYSA-N 0 0 263.112 3.325 10 30 CGEERN C[C@@H](/C(=N/O)c1ccccc1)/[N+](O)=C\C=C\c1ccccc1 ZINC000575418158 377906166 /nfs/dbraw/zinc/90/61/66/377906166.db2.gz OOHNGTLKJDDCAA-KSJKRJLHSA-O 0 0 295.362 3.439 10 30 CGEERN N#CCc1c(F)ccc(Br)c1OC(F)F ZINC000575680636 377954878 /nfs/dbraw/zinc/95/48/78/377954878.db2.gz SPPWRUKTPOJQRY-UHFFFAOYSA-N 0 0 280.043 3.256 10 30 CGEERN CC(C)(C)OC(=O)NC1(C#N)CCC(C)(C)CC1 ZINC000575496225 377914496 /nfs/dbraw/zinc/91/44/96/377914496.db2.gz GOKLXQHHJSYPFQ-UHFFFAOYSA-N 0 0 252.358 3.374 10 30 CGEERN C=C(C)CNc1ccc(I)cc1F ZINC000575492354 377915025 /nfs/dbraw/zinc/91/50/25/377915025.db2.gz COGWTSWTBYEHIX-UHFFFAOYSA-N 0 0 291.107 3.418 10 30 CGEERN N#CCc1cc(Br)c(C(F)F)cc1[N+](=O)[O-] ZINC000575685173 377960452 /nfs/dbraw/zinc/96/04/52/377960452.db2.gz JHLYVHPEQLKWQH-UHFFFAOYSA-N 0 0 291.051 3.361 10 30 CGEERN N#CCc1cc(OC(F)(F)F)c(Br)cc1O ZINC000575689757 377965343 /nfs/dbraw/zinc/96/53/43/377965343.db2.gz DLWOUQJQXHKBEZ-UHFFFAOYSA-N 0 0 296.042 3.119 10 30 CGEERN N#CCc1cc(C(F)(F)F)c(Cl)cc1[N+](=O)[O-] ZINC000575693597 377967820 /nfs/dbraw/zinc/96/78/20/377967820.db2.gz BVNDHPGVMLALTF-UHFFFAOYSA-N 0 0 264.590 3.333 10 30 CGEERN CCc1ccc(CC#N)c(OC)c1OC(F)(F)F ZINC000575703859 377976758 /nfs/dbraw/zinc/97/67/58/377976758.db2.gz QFDVNTQRCYFIEC-UHFFFAOYSA-N 0 0 259.227 3.222 10 30 CGEERN Oc1cc(C(F)(F)F)cc(OC(F)(F)F)c1F ZINC000575704450 377977493 /nfs/dbraw/zinc/97/74/93/377977493.db2.gz WCKDPHGXDHVZMB-UHFFFAOYSA-N 0 0 264.096 3.449 10 30 CGEERN Oc1ccc(F)c(C(F)(F)F)c1OC(F)(F)F ZINC000575705371 377977987 /nfs/dbraw/zinc/97/79/87/377977987.db2.gz XLCRQHHPGNZHOO-UHFFFAOYSA-N 0 0 264.096 3.449 10 30 CGEERN C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C(=O)N2CCC(C#N)CC2)o1 ZINC000407964167 379987509 /nfs/dbraw/zinc/98/75/09/379987509.db2.gz SCSBODAXVUQPCQ-UNQGMJICSA-N 0 0 298.386 3.269 10 30 CGEERN CC(=O)N(C)c1ccc(/N=C/c2ccc(O)cc2)cc1 ZINC000000286688 169597669 /nfs/dbraw/zinc/59/76/69/169597669.db2.gz FXXVHTSQWPBACK-GZTJUZNOSA-N 0 0 268.316 3.126 10 30 CGEERN CSc1ccc(Cl)c(C(=O)N[C@@H]2CCC[C@H]2C#N)c1 ZINC000334639392 532964179 /nfs/dbraw/zinc/96/41/79/532964179.db2.gz DBSKBWVXOFCTHL-TVQRCGJNSA-N 0 0 294.807 3.484 10 30 CGEERN CCC[C@H](C(=O)N[C@@H]1CCCNC1=O)c1ccccn1 ZINC000329441480 542447158 /nfs/dbraw/zinc/44/71/58/542447158.db2.gz NAIMQPXGVSWTQC-WCQYABFASA-N 0 0 275.352 3.041 10 30 CGEERN COC1CCC(CCNC(=O)[C@@H]2CCCC(=O)N2)CC1 ZINC000329683107 542448185 /nfs/dbraw/zinc/44/81/85/542448185.db2.gz SWLRNEQLPXWETD-BPCQOVAHSA-N 0 0 282.384 3.047 10 30 CGEERN O=C(NC1CCC(C(F)(F)F)CC1)c1csc(=O)[nH]1 ZINC000329916946 542449350 /nfs/dbraw/zinc/44/93/50/542449350.db2.gz QOKHZOTXZOPWOR-UHFFFAOYSA-N 0 0 294.298 3.274 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000333007495 542451463 /nfs/dbraw/zinc/45/14/63/542451463.db2.gz PIXIMWTZOGSYNK-DBIOUOCHSA-N 0 0 294.807 3.313 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NCc1ccc(Cl)c(F)c1 ZINC000061892852 392128651 /nfs/dbraw/zinc/12/86/51/392128651.db2.gz RYHVCWOCPSXZCM-GWCFXTLKSA-N 0 0 252.720 3.261 10 30 CGEERN C=CCNC(=O)c1ccc(N[C@H]2CCC[C@@H](C3CC3)C2)nc1 ZINC000301408444 392589932 /nfs/dbraw/zinc/58/99/32/392589932.db2.gz INOVGSFJHQFPQM-ZBFHGGJFSA-N 0 0 299.418 3.378 10 30 CGEERN CC(C)Cc1ccc([C@@H](C)NC(=O)NC[C@H](C)C#N)cc1 ZINC000182333278 392744773 /nfs/dbraw/zinc/74/47/73/392744773.db2.gz DVFJFVGMTKZPMR-ZIAGYGMSSA-N 0 0 287.407 3.405 10 30 CGEERN C=CCC[C@@H](CC)Nc1cnn(-c2ncccc2C#N)c1 ZINC000186028798 392776404 /nfs/dbraw/zinc/77/64/04/392776404.db2.gz GJBHZGHUEGTTGS-CQSZACIVSA-N 0 0 281.363 3.296 10 30 CGEERN C[C@@H](NC(=O)c1ccnc(C#N)c1)c1ccc(Cl)cc1 ZINC000195027717 392952121 /nfs/dbraw/zinc/95/21/21/392952121.db2.gz JMNJNMDWBHSDJT-SNVBAGLBSA-N 0 0 285.734 3.098 10 30 CGEERN C[C@H](NC(=O)c1ccnc(C#N)c1)c1cccc(Cl)c1 ZINC000195026473 392952676 /nfs/dbraw/zinc/95/26/76/392952676.db2.gz OEOCEIKUUCIZKN-JTQLQIEISA-N 0 0 285.734 3.098 10 30 CGEERN C#CCOc1cc(F)c(Cl)cc1Br ZINC000236144568 393032209 /nfs/dbraw/zinc/03/22/09/393032209.db2.gz RDIKQDSSJUIMSH-UHFFFAOYSA-N 0 0 263.493 3.254 10 30 CGEERN N#CCc1c(OC(F)F)cc(C#N)cc1C(F)(F)F ZINC000575637829 393203146 /nfs/dbraw/zinc/20/31/46/393203146.db2.gz ADFGDLLQSHEUKQ-UHFFFAOYSA-N 0 0 276.164 3.245 10 30 CGEERN N#CCc1cc(OC(F)F)c(C#N)cc1C(F)(F)F ZINC000575637958 393203286 /nfs/dbraw/zinc/20/32/86/393203286.db2.gz BJRUFVMXPVILHC-UHFFFAOYSA-N 0 0 276.164 3.245 10 30 CGEERN N#CC[C@@H]1CC[C@@H](c2occc2Br)O1 ZINC000307523347 397680894 /nfs/dbraw/zinc/68/08/94/397680894.db2.gz DEBDHOVAWUNWTB-CBAPKCEASA-N 0 0 256.099 3.176 10 30 CGEERN COc1cc2c(c(C(C)(C)C)c1)OCC(C(C)=O)=C2 ZINC000675063485 543312290 /nfs/dbraw/zinc/31/22/90/543312290.db2.gz GEVDGZJWPIRZEU-UHFFFAOYSA-N 0 0 260.333 3.358 10 30 CGEERN CCn1c(C)nnc1CSCc1ccc(F)cc1C#N ZINC000091029598 165254459 /nfs/dbraw/zinc/25/44/59/165254459.db2.gz MVSPXOUGJOYXER-UHFFFAOYSA-N 0 0 290.367 3.051 10 30 CGEERN C[C@@H]1CC[C@@H](C(=O)Nc2cc(C(C)(C)C)sc2C#N)O1 ZINC000091208710 287106933 /nfs/dbraw/zinc/10/69/33/287106933.db2.gz JCMXCODWTURKIG-KOLCDFICSA-N 0 0 292.404 3.423 10 30 CGEERN c1ccc(NCc2ccc(OC[C@H]3CO3)cc2)cc1 ZINC000001998625 169765953 /nfs/dbraw/zinc/76/59/53/169765953.db2.gz GPNIQDXLAWTXJM-INIZCTEOSA-N 0 0 255.317 3.076 10 30 CGEERN Cc1ccc(/C=N/OC(=O)c2ccc(F)cc2)cc1 ZINC000005682421 170127996 /nfs/dbraw/zinc/12/79/96/170127996.db2.gz MLBBTCPUKFYJFI-LICLKQGHSA-N 0 0 257.264 3.325 10 30 CGEERN Cc1nc(C#N)c(N=NCc2c(C)[nH]c3ccccc32)o1 ZINC000006825061 170246843 /nfs/dbraw/zinc/24/68/43/170246843.db2.gz PUYIFTRPYORZCG-CAOOACKPSA-N 0 0 279.303 3.090 10 30 CGEERN C=CCOc1ccc(NC(=S)NC(=O)C(C)(C)C)cc1 ZINC000007444998 170285485 /nfs/dbraw/zinc/28/54/85/170285485.db2.gz HANUFKBTAGVRCV-UHFFFAOYSA-N 0 0 292.404 3.111 10 30 CGEERN C=CCNC(=S)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000007520709 170287926 /nfs/dbraw/zinc/28/79/26/170287926.db2.gz JIKMPRQOQLWUDE-UWJCENJNSA-N 0 0 278.465 3.241 10 30 CGEERN C/C(=C/C(=O)c1ccc(Br)cc1)N(C)C ZINC000012336384 170476766 /nfs/dbraw/zinc/47/67/66/170476766.db2.gz HATXBOWGZXQCMO-HJWRWDBZSA-N 0 0 268.154 3.097 10 30 CGEERN CN(C)/C=C\C(=O)C(c1ccccc1)c1ccccc1 ZINC000012340078 170477176 /nfs/dbraw/zinc/47/71/76/170477176.db2.gz JKRJXPWLKZXGLL-YPKPFQOOSA-N 0 0 265.356 3.463 10 30 CGEERN N#Cc1c(Br)nc2c(c1C#N)CCCCCC2 ZINC000015107855 170657537 /nfs/dbraw/zinc/65/75/37/170657537.db2.gz XYTYYWPOJMNJOX-UHFFFAOYSA-N 0 0 290.164 3.246 10 30 CGEERN C[C@H](S)c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000019415192 170791004 /nfs/dbraw/zinc/79/10/04/170791004.db2.gz CMUDPXSNNXKQKQ-BQBZGAKWSA-N 0 0 280.418 3.100 10 30 CGEERN C/C(=N\O)c1cccc(NC(=O)NC2CCCCC2)c1 ZINC000019434403 170798948 /nfs/dbraw/zinc/79/89/48/170798948.db2.gz SEYCGYAYGLAJGO-WOJGMQOQSA-N 0 0 275.352 3.339 10 30 CGEERN O=CCOc1c(Cl)cc(Cl)cc1Br ZINC000019776772 170860503 /nfs/dbraw/zinc/86/05/03/170860503.db2.gz CDFCSWOSOHOOMZ-UHFFFAOYSA-N 0 0 283.936 3.334 10 30 CGEERN COc1ccc(SCc2cccc(/C(N)=N/O)c2)cc1 ZINC000019847834 170896925 /nfs/dbraw/zinc/89/69/25/170896925.db2.gz GYTDCIGXQTXPJJ-UHFFFAOYSA-N 0 0 288.372 3.082 10 30 CGEERN CCOc1ccc([C@@H](C#N)NCc2ccccc2)cc1 ZINC000020175118 171041849 /nfs/dbraw/zinc/04/18/49/171041849.db2.gz HLZKOEMWGAZCFU-QGZVFWFLSA-N 0 0 266.344 3.440 10 30 CGEERN COc1cccc([C@@H](C#N)NCc2ccccc2)c1OC ZINC000020176927 171043160 /nfs/dbraw/zinc/04/31/60/171043160.db2.gz KDGADPMJSNQHPZ-OAHLLOKOSA-N 0 0 282.343 3.058 10 30 CGEERN COc1cccc(/C=C/C(=O)c2nc3ccccc3[nH]2)c1 ZINC000026462931 171485368 /nfs/dbraw/zinc/48/53/68/171485368.db2.gz LYIXYIZJQVGZQG-MDZDMXLPSA-N 0 0 278.311 3.468 10 30 CGEERN N#Cc1ccc(COCCCc2ccncc2)cc1 ZINC000034958546 171903813 /nfs/dbraw/zinc/90/38/13/171903813.db2.gz SFLIMSIZFOXAPV-UHFFFAOYSA-N 0 0 252.317 3.103 10 30 CGEERN COC(C)(C)C[C@H](C)Nc1cccc(OCC#N)c1 ZINC000037069407 172931354 /nfs/dbraw/zinc/93/13/54/172931354.db2.gz QDNIARZRKHFKBP-LBPRGKRZSA-N 0 0 262.353 3.204 10 30 CGEERN N#C[C@@H](C(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000037345652 173143025 /nfs/dbraw/zinc/14/30/25/173143025.db2.gz HZTRACIYMAWQHU-CQSZACIVSA-N 0 0 257.239 3.455 10 30 CGEERN N#C[C@H](NCC1CC1)c1ccccc1C(F)(F)F ZINC000037946896 173888106 /nfs/dbraw/zinc/88/81/06/173888106.db2.gz BJIHTYRSAVXSBQ-LBPRGKRZSA-N 0 0 254.255 3.270 10 30 CGEERN N#Cc1cc(C(F)(F)F)ccc1-n1cc(Cl)cn1 ZINC000038053459 174065226 /nfs/dbraw/zinc/06/52/26/174065226.db2.gz YXGAVEVUEBJOHE-UHFFFAOYSA-N 0 0 271.629 3.416 10 30 CGEERN CC[C@H](C)N[C@]1(C#N)CCCc2cc(OC)ccc21 ZINC000038064403 174075084 /nfs/dbraw/zinc/07/50/84/174075084.db2.gz GZXWPRVAQVDXGE-LRDDRELGSA-N 0 0 258.365 3.138 10 30 CGEERN Cc1cc([C@@H](C#N)N2CCCCCC2)cc(C)c1O ZINC000038086287 174097652 /nfs/dbraw/zinc/09/76/52/174097652.db2.gz KIARZUDBJYHBPM-OAHLLOKOSA-N 0 0 258.365 3.450 10 30 CGEERN C[C@@H](Cc1ccsc1)Nc1ccc(N)cc1C#N ZINC000042599457 174815943 /nfs/dbraw/zinc/81/59/43/174815943.db2.gz GYYZGAXGOVTVNX-JTQLQIEISA-N 0 0 257.362 3.245 10 30 CGEERN N#C[C@H]1CCCCC[C@@H]1N(CC(F)(F)F)C1CC1 ZINC000042764979 174869026 /nfs/dbraw/zinc/86/90/26/174869026.db2.gz IDKUAQSGQIXZLA-PWSUYJOCSA-N 0 0 260.303 3.486 10 30 CGEERN C[C@@H](NC(=O)C1(C#N)CCCC1)c1ccccc1F ZINC000044293327 175160433 /nfs/dbraw/zinc/16/04/33/175160433.db2.gz HHKOHPSXCWUPHY-LLVKDONJSA-N 0 0 260.312 3.087 10 30 CGEERN CC(C)(C)OC(=O)N1Cc2c(CS)noc2C(C)(C)C1 ZINC000725251807 544112855 /nfs/dbraw/zinc/11/28/55/544112855.db2.gz AHXOZUYFWHBFMN-UHFFFAOYSA-N 0 0 298.408 3.133 10 30 CGEERN NC(=O)C1CCC(NC(=O)C[C@@H]2CCCCNC2=O)CC1 ZINC000329453281 227524913 /nfs/dbraw/zinc/52/49/13/227524913.db2.gz PHPFVSCXNYXHCX-CXQJBGSLSA-N 0 0 295.383 3.184 10 30 CGEERN O=C(NC[C@H]1CCC2(CCCCC2)O1)[C@@H]1CCCC(=O)N1 ZINC000330068278 228032521 /nfs/dbraw/zinc/03/25/21/228032521.db2.gz GFFUVBKSQLJJFA-OLZOCXBDSA-N 0 0 294.395 3.334 10 30 CGEERN O=C(Nc1cccc(-n2cccn2)c1)N1CC[C@H]2CCC[C@@H]21 ZINC000330226490 228072587 /nfs/dbraw/zinc/07/25/87/228072587.db2.gz BOGSYLRLYHZXAF-CJNGLKHVSA-N 0 0 296.374 3.292 10 30 CGEERN N#CC1(CNC(=O)NC[C@@H]2C[C@H]2C2CCCCC2)CCC1 ZINC000333880373 228218542 /nfs/dbraw/zinc/21/85/42/228218542.db2.gz DHVDNMOCAMAMPE-GJZGRUSLSA-N 0 0 289.423 3.196 10 30 CGEERN C=CC(=O)C#CC#CC[C@H]1O[C@H]1CCCCCCC ZINC000070454420 260266819 /nfs/dbraw/zinc/26/68/19/260266819.db2.gz WIONCQLWGYLTME-DLBZAZTESA-N 0 0 258.361 3.266 10 30 endogenous,in-man CGEERN Cc1cccc2c(N[C@@H]3CCC[C@@H]3C#N)ncnc12 ZINC000408361591 260813870 /nfs/dbraw/zinc/81/38/70/260813870.db2.gz HTZNRXOLIFXKBI-DGCLKSJQSA-N 0 0 252.321 3.042 10 30 CGEERN COc1ccc(O)c(/C=N/[C@@H](C)COCc2ccccc2)c1 ZINC000173988989 261552549 /nfs/dbraw/zinc/55/25/49/261552549.db2.gz CRAIVYICBGSWNE-YRIIZNAFSA-N 0 0 299.370 3.425 10 30 CGEERN C[C@@H]1CC[C@H](C)N(C(=O)N[C@H]2CCC(=O)NC23CCC3)C1 ZINC000328712266 263848788 /nfs/dbraw/zinc/84/87/88/263848788.db2.gz BMOZCDJSYNXXEP-AGIUHOORSA-N 0 0 293.411 3.062 10 30 CGEERN O=C(C[C@@H]1CCCCNC1=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000328882506 263887018 /nfs/dbraw/zinc/88/70/18/263887018.db2.gz XEENELKSNIUDSA-BFHYXJOUSA-N 0 0 294.395 3.047 10 30 CGEERN CCC[C@@H](NCc1ccc(C#N)s1)C(=O)OC(C)(C)C ZINC000185067405 270061763 /nfs/dbraw/zinc/06/17/63/270061763.db2.gz FVNBKVDEQJSCJX-CYBMUJFWSA-N 0 0 294.420 3.220 10 30 CGEERN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)NCc1cccc(C#N)c1 ZINC000246399939 287704710 /nfs/dbraw/zinc/70/47/10/287704710.db2.gz LHAKLJFHDATZOY-KBRIMQKVSA-N 0 0 297.402 3.421 10 30 CGEERN O=S(=O)(/N=C\c1cccs1)c1ccc(Cl)cc1 ZINC000102962037 280334927 /nfs/dbraw/zinc/33/49/27/280334927.db2.gz YXXWWBDBWSEIGL-JYRVWZFOSA-N 0 0 285.777 3.209 10 30 CGEERN N[C@H](c1ccc(C(F)(F)F)c(F)c1)C(F)(F)F ZINC000072195536 295332591 /nfs/dbraw/zinc/33/25/91/295332591.db2.gz FBEWIBUBRPOPFD-SSDOTTSWSA-N 0 0 261.140 3.407 10 30 CGEERN Cc1nc(N2CCO[C@H]3CCCC[C@@H]32)c(Cl)cc1C#N ZINC000292816831 302600218 /nfs/dbraw/zinc/60/02/18/302600218.db2.gz ZLDQIVMLGDPXOH-KBPBESRZSA-N 0 0 291.782 3.063 10 30 CGEERN C=CCN(CC1CCCCC1)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000112213468 328391486 /nfs/dbraw/zinc/39/14/86/328391486.db2.gz LPSBBAQIZKYBBW-GOEBONIOSA-N 0 0 294.439 3.332 10 30 CGEERN C=CCCCC(=O)NC[C@@H]1CCN(C)c2ccccc21 ZINC000175392863 329165385 /nfs/dbraw/zinc/16/53/85/329165385.db2.gz BLZRTGJWZLLLHM-AWEZNQCLSA-N 0 0 272.392 3.083 10 30 CGEERN C=CCC1(C(=O)NC[C@H]2CCN(C)c3ccccc32)CCC1 ZINC000189858355 329389620 /nfs/dbraw/zinc/38/96/20/329389620.db2.gz IFIACYQDIQOGQI-OAHLLOKOSA-N 0 0 298.430 3.473 10 30 CGEERN C#Cc1cccc(NC(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c1 ZINC000133077996 329650644 /nfs/dbraw/zinc/65/06/44/329650644.db2.gz WJMJBIWFHQRGLW-FGTMMUONSA-N 0 0 288.350 3.128 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000061888941 329681426 /nfs/dbraw/zinc/68/14/26/329681426.db2.gz CARLJFXNHBJORP-JOYOIKCWSA-N 0 0 283.158 3.415 10 30 CGEERN Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2C#N)c(Cl)c1 ZINC000235864494 329683622 /nfs/dbraw/zinc/68/36/22/329683622.db2.gz CRLRDTZHSOVCPW-GXFFZTMASA-N 0 0 262.740 3.071 10 30 CGEERN C=C(C)CN(CC)C(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000246764102 329870284 /nfs/dbraw/zinc/87/02/84/329870284.db2.gz YHLZSBAQKWKTMP-GVDBMIGSSA-N 0 0 284.403 3.322 10 30 CGEERN COc1ccc(CN[C@H]2CCC[C@@H]2C#N)cc1Cl ZINC000086586013 330370306 /nfs/dbraw/zinc/37/03/06/330370306.db2.gz KEMUIMKOMLRMCF-YPMHNXCESA-N 0 0 264.756 3.130 10 30 CGEERN C[C@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC000177225732 333055293 /nfs/dbraw/zinc/05/52/93/333055293.db2.gz FIRDXPVFHREDJP-STQMWFEESA-N 0 0 297.320 3.166 10 30 CGEERN C#CCC(C)(C)C(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000184287823 518241607 /nfs/dbraw/zinc/24/16/07/518241607.db2.gz HNSGWQIGRZRBBA-IRXDYDNUSA-N 0 0 299.414 3.151 10 30 CGEERN C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000185561040 518632606 /nfs/dbraw/zinc/63/26/06/518632606.db2.gz UDYUMVLRVSGEGL-GXTWGEPZSA-N 0 0 261.369 3.066 10 30 CGEERN CC1CCC2(CSC(Nc3cccnc3)=N2)CC1 ZINC000053098670 520970037 /nfs/dbraw/zinc/97/00/37/520970037.db2.gz NDNLBXSRVMWVJM-UHFFFAOYSA-N 0 0 261.394 3.354 10 30 CGEERN Cc1cnc([C@H](C)NC(=O)c2sc3nccn3c2C)o1 ZINC000329244801 534630564 /nfs/dbraw/zinc/63/05/64/534630564.db2.gz QDMPBWMOXGTXAV-QMMMGPOBSA-N 0 0 290.348 3.066 10 30 CGEERN Cc1nc2cc(NC(=O)N3C[C@H]4CCC[C@@H]43)ccc2o1 ZINC000330099530 534638791 /nfs/dbraw/zinc/63/87/91/534638791.db2.gz DDWVQKGLDZSFCW-MFKMUULPSA-N 0 0 271.320 3.166 10 30 CGEERN CC[C@@H]1CC[C@H](C#N)[C@H](Sc2nnc(C)o2)C1 ZINC000051038111 523355187 /nfs/dbraw/zinc/35/51/87/523355187.db2.gz QLBWFNFJMGVRHF-GMTAPVOTSA-N 0 0 251.355 3.189 10 30 CGEERN COc1cccc2cc([C@H](C)NC[C@H](C)C#N)oc21 ZINC000054180439 524261443 /nfs/dbraw/zinc/26/14/43/524261443.db2.gz FQFTXVUJSWCOSF-MNOVXSKESA-N 0 0 258.321 3.252 10 30 CGEERN Cc1ccc2[nH]c(Sc3ccnc(C#N)c3)nc2c1 ZINC000061815559 526256263 /nfs/dbraw/zinc/25/62/63/526256263.db2.gz TZRKIBUTUZTVDR-UHFFFAOYSA-N 0 0 266.329 3.289 10 30 CGEERN N#C[C@@H](Nc1ccccc1Cl)C1CCOCC1 ZINC000052178754 526496983 /nfs/dbraw/zinc/49/69/83/526496983.db2.gz VDSIMSALMKXJOI-CYBMUJFWSA-N 0 0 250.729 3.071 10 30 CGEERN N#Cc1ccc(Cl)cc1Sc1nnc2ccccn21 ZINC000062790322 526636210 /nfs/dbraw/zinc/63/62/10/526636210.db2.gz JKFKMAHBTHHFIM-UHFFFAOYSA-N 0 0 286.747 3.406 10 30 CGEERN N/C(=N/O)c1ccc(SC2CCCC2)c(Cl)c1 ZINC000062829681 526803714 /nfs/dbraw/zinc/80/37/14/526803714.db2.gz IQNQUFOPQZPMBR-UHFFFAOYSA-N 0 0 270.785 3.469 10 30 CGEERN CC[C@H](C)n1ncc(NC(=O)N2C[C@@H]3CCC[C@H]32)c1C ZINC000330136557 529292201 /nfs/dbraw/zinc/29/22/01/529292201.db2.gz UFUIRPAMMVMVFP-VHRBIJSZSA-N 0 0 276.384 3.192 10 30 CGEERN COc1ccc(C#N)cc1CN[C@H](C)c1ccc(C)o1 ZINC000130259693 536646254 /nfs/dbraw/zinc/64/62/54/536646254.db2.gz OMVMJKHOEPHZQZ-GFCCVEGCSA-N 0 0 270.332 3.319 10 30 CGEERN Cc1ccccc1[C@H](C)Nc1cc(C#N)nc(C)n1 ZINC000308320602 618209392 /nfs/dbraw/zinc/20/93/92/618209392.db2.gz AWDKAAQFZNFQDL-NSHDSACASA-N 0 0 252.321 3.138 10 30 CGEERN CCCCCCCC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177754145 618839635 /nfs/dbraw/zinc/83/96/35/618839635.db2.gz QCHDWPYYGCYSDY-OAHLLOKOSA-N 0 0 277.412 3.235 10 30 CGEERN COC1CC(Nc2cc(Br)c(C#N)cc2F)C1 ZINC000310289843 619289903 /nfs/dbraw/zinc/28/99/03/619289903.db2.gz KEGDIALNOUBLKF-UHFFFAOYSA-N 0 0 299.143 3.049 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000061891864 623186005 /nfs/dbraw/zinc/18/60/05/623186005.db2.gz JBGHVSSUSLUXCM-TVQRCGJNSA-N 0 0 279.727 3.030 10 30 CGEERN C=C(Cl)CN1CCN(c2nc3cc(C)ccc3o2)CC1 ZINC000155071791 624421008 /nfs/dbraw/zinc/42/10/08/624421008.db2.gz JHOMJVYRYUJGLL-UHFFFAOYSA-N 0 0 291.782 3.011 10 30 CGEERN CO[C@H](C(=O)C(C#N)c1nc(C)cs1)c1ccccc1 ZINC000069832207 624908680 /nfs/dbraw/zinc/90/86/80/624908680.db2.gz QADRVBMKEUJPPM-JSGCOSHPSA-N 0 0 286.356 3.016 10 30 CGEERN N#Cc1ccsc1NC(=O)c1ccc2cc[nH]c2c1 ZINC000070164897 624965598 /nfs/dbraw/zinc/96/55/98/624965598.db2.gz KOLBIVYURSSNOR-UHFFFAOYSA-N 0 0 267.313 3.353 10 30 CGEERN CCCCCCNC(=O)[C@@H](C#N)C(=O)C1CCCCCC1 ZINC000102117816 634514866 /nfs/dbraw/zinc/51/48/66/634514866.db2.gz OSNMZSPBNUNXDF-HNNXBMFYSA-N 0 0 292.423 3.362 10 30 CGEERN C=CCc1cc(OCC)ccc1OC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000121425045 634561372 /nfs/dbraw/zinc/56/13/72/634561372.db2.gz GDZRZFFCWVGZIG-WBMJQRKESA-N 0 0 290.359 3.287 10 30 CGEERN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[C@@H]1S ZINC000757162377 630588066 /nfs/dbraw/zinc/58/80/66/630588066.db2.gz CYEMTMZSLJVQQA-UTUOFQBUSA-N 0 0 271.426 3.484 10 30 CGEERN N#CCc1cccc(OS(=O)(=O)/C=C/c2ccccc2)c1 ZINC000192148562 640352271 /nfs/dbraw/zinc/35/22/71/640352271.db2.gz ZWRKVRTZZXDONW-ZRDIBKRKSA-N 0 0 299.351 3.132 10 30 CGEERN COc1ccc(COc2cccc([C@H](C)O)c2)cc1C#N ZINC000087832170 640613510 /nfs/dbraw/zinc/61/35/10/640613510.db2.gz DGJVRFHTDVMDOK-LBPRGKRZSA-N 0 0 283.327 3.199 10 30 CGEERN N#C[C@H](C(=O)[C@@H]1C[C@H]1C1CCCCC1)c1ccccn1 ZINC000246462450 640675082 /nfs/dbraw/zinc/67/50/82/640675082.db2.gz AHDBMUAMNMVGSG-ZNMIVQPWSA-N 0 0 268.360 3.474 10 30 CGEERN CC[C@H](C#N)OC(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000246997170 640706190 /nfs/dbraw/zinc/70/61/90/640706190.db2.gz QWEHSFWGLAXMTA-OPRDCNLKSA-N 0 0 281.714 3.428 10 30 CGEERN Cn1cc(/C=C\C(=O)c2ccc(N3CCCCC3)cc2)cn1 ZINC000096569120 640833008 /nfs/dbraw/zinc/83/30/08/640833008.db2.gz NMCXIPYGNDKXND-YHYXMXQVSA-N 0 0 295.386 3.307 10 30 CGEERN COCc1cccc(/C=C\C(=O)c2cc(O)ccc2OC)c1 ZINC000588409720 799690172 /nfs/dbraw/zinc/69/01/72/799690172.db2.gz RVCYRLHBSDENII-VURMDHGXSA-N 0 0 298.338 3.443 10 30 CGEERN N#CC1(COC(=O)/C=C\c2ccco2)CCCCC1 ZINC000588411579 799691833 /nfs/dbraw/zinc/69/18/33/799691833.db2.gz ZUGJDEHAKJVSTC-SREVYHEPSA-N 0 0 259.305 3.310 10 30 CGEERN N#Cc1ccccc1/C=C\C(=O)OCCC[C@@H]1CCCO1 ZINC000588448818 799695951 /nfs/dbraw/zinc/69/59/51/799695951.db2.gz NYYNRZGJPZIFEM-YDZSZYSISA-N 0 0 285.343 3.074 10 30 CGEERN C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1occc1C(=O)[O-] ZINC000692246181 976408222 /nfs/dbraw/zinc/40/82/22/976408222.db2.gz GJFSYOFODLLPOE-WCQYABFASA-N 0 0 263.337 3.202 10 30 CGEERN O[C@H](c1ccc(F)cc1C(F)(F)F)C(F)(F)F ZINC000095803115 185027993 /nfs/dbraw/zinc/02/79/93/185027993.db2.gz CEVXMGQXRIGDGS-SSDOTTSWSA-N 0 0 262.124 3.440 10 30 CGEERN N#Cc1ccc(N2CCC(c3nccs3)CC2)cc1 ZINC000336434425 136418520 /nfs/dbraw/zinc/41/85/20/136418520.db2.gz CIILXMKSXCLLNR-UHFFFAOYSA-N 0 0 269.373 3.399 10 30 CGEERN N#Cc1cc(Br)cnc1N[C@@H]1CCC[C@H]2C[C@H]21 ZINC000591989936 346953586 /nfs/dbraw/zinc/95/35/86/346953586.db2.gz CNQDCIFHGWQMQI-XXILOJSOSA-N 0 0 292.180 3.316 10 30 CGEERN N#Cc1ccccc1[C@@H](C#N)c1ccc([N+](=O)[O-])cc1 ZINC000001557663 344856272 /nfs/dbraw/zinc/85/62/72/344856272.db2.gz VNCPQGUQCTZPRV-HNNXBMFYSA-N 0 0 263.256 3.122 10 30 CGEERN CCCCC#CCSc1ccccc1OS(C)(=O)=O ZINC000039085612 344958156 /nfs/dbraw/zinc/95/81/56/344958156.db2.gz FOJFESMBCNUSKU-UHFFFAOYSA-N 0 0 298.429 3.311 10 30 CGEERN N#C[C@H](Nc1ccccc1Br)C1CC1 ZINC000041047365 344967174 /nfs/dbraw/zinc/96/71/74/344967174.db2.gz RSLXNYDXUKOIIN-NSHDSACASA-N 0 0 251.127 3.163 10 30 CGEERN CCCCC#CCSc1ccccc1OC(N)=O ZINC000034508851 344940128 /nfs/dbraw/zinc/94/01/28/344940128.db2.gz MDERJBGTKSVAKL-UHFFFAOYSA-N 0 0 263.362 3.430 10 30 CGEERN C=C(Cl)COc1c(Cl)cc(C=O)cc1OC ZINC000034939421 344941207 /nfs/dbraw/zinc/94/12/07/344941207.db2.gz YWRMMAGSFRIXJD-UHFFFAOYSA-N 0 0 261.104 3.292 10 30 CGEERN CC[C@H](C#N)C(=O)c1ccc(Br)cc1F ZINC000036916061 344945496 /nfs/dbraw/zinc/94/54/96/344945496.db2.gz OJBMIPDAPOJAIC-SSDOTTSWSA-N 0 0 270.101 3.321 10 30 CGEERN C[C@H](C#N)N[C@@H](C)c1cccc(Br)c1 ZINC000043515099 344999909 /nfs/dbraw/zinc/99/99/09/344999909.db2.gz JZFQCBRSLFCRLF-BDAKNGLRSA-N 0 0 253.143 3.012 10 30 CGEERN Cc1ccc2nc(N(CCC#N)CCC#N)sc2c1 ZINC000048564617 345067990 /nfs/dbraw/zinc/06/79/90/345067990.db2.gz ATXPCCDHDBQOKN-UHFFFAOYSA-N 0 0 270.361 3.238 10 30 CGEERN N#Cc1cc(Cl)ccc1-n1cc(Br)cn1 ZINC000052859049 345108568 /nfs/dbraw/zinc/10/85/68/345108568.db2.gz AVFYZJMYBAHAGP-UHFFFAOYSA-N 0 0 282.528 3.160 10 30 CGEERN CCCN(c1ccc([N+](=O)[O-])c(C#N)c1)[C@@H](C)CC ZINC000090448190 345788147 /nfs/dbraw/zinc/78/81/47/345788147.db2.gz FZEMAAHHMRKGHI-NSHDSACASA-N 0 0 261.325 3.481 10 30 CGEERN N#Cc1ccc(NCc2ccc(Cl)o2)c([N+](=O)[O-])c1 ZINC000105718084 345929405 /nfs/dbraw/zinc/92/94/05/345929405.db2.gz QRKDHXMWIJPZEA-UHFFFAOYSA-N 0 0 277.667 3.325 10 30 CGEERN COc1ccc2c(c1)[C@@](Br)(C#N)CCC2 ZINC000127642686 346033108 /nfs/dbraw/zinc/03/31/08/346033108.db2.gz YRRNBVPUSKMDOQ-LBPRGKRZSA-N 0 0 266.138 3.145 10 30 CGEERN COC(=O)C#Cc1ccc2cc(Br)ccc2c1 ZINC000134989180 346085711 /nfs/dbraw/zinc/08/57/11/346085711.db2.gz ZGQWYLAHCGGJMU-UHFFFAOYSA-N 0 0 289.128 3.127 10 30 CGEERN CCOc1ccc([C@@H](O)C#Cc2ccc(F)cc2)cc1 ZINC000139026411 346098329 /nfs/dbraw/zinc/09/83/29/346098329.db2.gz TWUMPEVEILZAGY-KRWDZBQOSA-N 0 0 270.303 3.310 10 30 CGEERN C[C@H](c1ccccc1)N1C=CC(=O)C[C@@H]1C(F)(F)F ZINC000143700141 346114668 /nfs/dbraw/zinc/11/46/68/346114668.db2.gz LWILBNUCDOFKEF-ZWNOBZJWSA-N 0 0 269.266 3.467 10 30 CGEERN C=C(C)[C@H](C#N)Nc1ccccc1Br ZINC000158871514 346166300 /nfs/dbraw/zinc/16/63/00/346166300.db2.gz KECJRKBTANGHFM-NSHDSACASA-N 0 0 251.127 3.329 10 30 CGEERN CC[C@H](C#N)Oc1ccc(Br)cc1C#N ZINC000161763520 346176423 /nfs/dbraw/zinc/17/64/23/346176423.db2.gz RJCGJUKFAFEENM-SNVBAGLBSA-N 0 0 265.110 3.002 10 30 CGEERN N#Cc1ncc2cc(-c3ccccc3)c(Cl)nc2n1 ZINC000167828927 346188847 /nfs/dbraw/zinc/18/88/47/346188847.db2.gz YNFIGNOWMTXESN-UHFFFAOYSA-N 0 0 266.691 3.217 10 30 CGEERN C=CCC(=O)c1ccccc1I ZINC000167858625 346188857 /nfs/dbraw/zinc/18/88/57/346188857.db2.gz SIXLKFOMLNIZRK-UHFFFAOYSA-N 0 0 272.085 3.050 10 30 CGEERN CC#CC[C@H](O)c1cccc(F)c1Br ZINC000169069591 346192042 /nfs/dbraw/zinc/19/20/42/346192042.db2.gz QPFKFXDJQQHRBQ-JTQLQIEISA-N 0 0 257.102 3.035 10 30 CGEERN COC(=O)CCc1ccc(C#C[Si](C)(C)C)cc1 ZINC000197979518 346277661 /nfs/dbraw/zinc/27/76/61/346277661.db2.gz KQULSZAOIPIPGZ-UHFFFAOYSA-N 0 0 260.409 3.021 10 30 CGEERN CSc1cccc(NC(=O)/N=C2/CCCN2C)c1 ZINC000224256994 346301531 /nfs/dbraw/zinc/30/15/31/346301531.db2.gz HMQGLBFPERHWRW-QINSGFPZSA-N 0 0 263.366 3.065 10 30 CGEERN C=CC[C@]1(COCc2ccccc2)CC[C@H](OC)O1 ZINC000225940525 346306114 /nfs/dbraw/zinc/30/61/14/346306114.db2.gz DYGVOZROBINVGB-HZPDHXFCSA-N 0 0 262.349 3.301 10 30 CGEERN C#C[C@H](CCC)Nc1ccc(Br)c(C)n1 ZINC000230005626 346318979 /nfs/dbraw/zinc/31/89/79/346318979.db2.gz OPQZQXBVSISNTF-SNVBAGLBSA-N 0 0 267.170 3.366 10 30 CGEERN C#C[C@@H](CCC)Nc1ccc(Br)c(C)n1 ZINC000230005623 346319065 /nfs/dbraw/zinc/31/90/65/346319065.db2.gz OPQZQXBVSISNTF-JTQLQIEISA-N 0 0 267.170 3.366 10 30 CGEERN N#Cc1ccc2cccc(I)c2c1 ZINC000238584221 346350055 /nfs/dbraw/zinc/35/00/55/346350055.db2.gz QSXNWGPARMRKKJ-UHFFFAOYSA-N 0 0 279.080 3.316 10 30 CGEERN C[C@H](S)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000235564090 346336138 /nfs/dbraw/zinc/33/61/38/346336138.db2.gz KOOQOCVFBPCNKK-YFKPBYRVSA-N 0 0 294.601 3.359 10 30 CGEERN N#CCCNc1cccc(Cl)c1Br ZINC000236052221 346339246 /nfs/dbraw/zinc/33/92/46/346339246.db2.gz KLYROWLNDOTIRD-UHFFFAOYSA-N 0 0 259.534 3.428 10 30 CGEERN C#C[C@H](C)Nc1cc(I)ccc1C ZINC000300968058 346439370 /nfs/dbraw/zinc/43/93/70/346439370.db2.gz PAEWRIWQCCIOON-VIFPVBQESA-N 0 0 285.128 3.033 10 30 CGEERN Cc1ccc([C@@H]2N=C(C=C=Cc3ccccc3)C(=O)O2)cc1 ZINC000100136415 185705840 /nfs/dbraw/zinc/70/58/40/185705840.db2.gz CCPZAJSACYIKHG-JIARHERNSA-N 0 0 289.334 3.076 10 30 CGEERN N#Cc1c(F)cc(F)c(Br)c1Br ZINC000307123069 346460088 /nfs/dbraw/zinc/46/00/88/346460088.db2.gz WTKXOHRKROAPEJ-UHFFFAOYSA-N 0 0 296.896 3.361 10 30 CGEERN C/C=C\CNc1ccc(C#N)c(Br)c1 ZINC000308463943 346466892 /nfs/dbraw/zinc/46/68/92/346466892.db2.gz HFKAXPDVIGRMIG-IHWYPQMZSA-N 0 0 251.127 3.309 10 30 CGEERN C[C@H]1CC[C@H](C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)O1 ZINC000128422436 187369092 /nfs/dbraw/zinc/36/90/92/187369092.db2.gz PFTPCKVIZWKZIS-QPUJVOFHSA-N 0 0 298.264 3.083 10 30 CGEERN N#Cc1c(Br)cccc1N1CCC2(CC2)C1 ZINC000400417558 346589552 /nfs/dbraw/zinc/58/95/52/346589552.db2.gz WNBZPSJGHHTHGS-UHFFFAOYSA-N 0 0 277.165 3.311 10 30 CGEERN N#Cc1cc(C(F)(F)F)c(C=O)c(C(F)(F)F)c1 ZINC000514278830 346638026 /nfs/dbraw/zinc/63/80/26/346638026.db2.gz SGTVIQXEHOYDJL-UHFFFAOYSA-N 0 0 267.128 3.408 10 30 CGEERN C[Si](C)(C)C#Cc1ccc(Br)cc1C=O ZINC000584637877 346701806 /nfs/dbraw/zinc/70/18/06/346701806.db2.gz PDYWRVJUUPJLIG-UHFFFAOYSA-N 0 0 281.225 3.491 10 30 CGEERN COc1cc2c(Cl)c(Cl)cnc2cc1C#N ZINC000584640485 346702753 /nfs/dbraw/zinc/70/27/53/346702753.db2.gz QCCORLOIERGOLP-UHFFFAOYSA-N 0 0 253.088 3.422 10 30 CGEERN Cc1c2cc(Br)ccc2nn1CC1(C#N)CC1 ZINC000584603490 346690567 /nfs/dbraw/zinc/69/05/67/346690567.db2.gz ZKYJXNHXFSKCMQ-UHFFFAOYSA-N 0 0 290.164 3.411 10 30 CGEERN N#Cc1cc(-c2ccc(C(F)(F)F)nc2)cc(F)n1 ZINC000584613144 346693009 /nfs/dbraw/zinc/69/30/09/346693009.db2.gz FYMBPQFPMLYWSC-UHFFFAOYSA-N 0 0 267.185 3.173 10 30 CGEERN COC(=O)CC1=CC(=O)CC[C@@H]1c1ccc(Cl)cc1 ZINC000584616652 346693646 /nfs/dbraw/zinc/69/36/46/346693646.db2.gz UGSFTUDMDHWBHY-CQSZACIVSA-N 0 0 278.735 3.276 10 30 CGEERN C=CC[C@](CC)(CO)[C@H](C)OC(=O)c1ccccc1 ZINC000584615181 346693851 /nfs/dbraw/zinc/69/38/51/346693851.db2.gz RSLGHZFRSVXRSS-XJKSGUPXSA-N 0 0 262.349 3.197 10 30 CGEERN C#C[C@@H]1[C@H](O)C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C ZINC000584617815 346694347 /nfs/dbraw/zinc/69/43/47/346694347.db2.gz SKZVMJWASBPTRF-IGOIZDSHSA-N 0 0 296.410 3.469 10 30 CGEERN C#C[C@H]1[C@H](O)C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C ZINC000584617819 346694473 /nfs/dbraw/zinc/69/44/73/346694473.db2.gz SKZVMJWASBPTRF-XRNRSJMDSA-N 0 0 296.410 3.469 10 30 CGEERN O=C(C1=CN=C(c2ccccc2)SC1)C(F)(F)F ZINC000584622394 346696711 /nfs/dbraw/zinc/69/67/11/346696711.db2.gz SIVGMHXBFSWEMG-UHFFFAOYSA-N 0 0 271.263 3.195 10 30 CGEERN N#C[C@H](c1ccncc1)[C@H](CCO)c1c(F)cccc1F ZINC000584636686 346700982 /nfs/dbraw/zinc/70/09/82/346700982.db2.gz MCXJNCYQUFWKHT-QWHCGFSZSA-N 0 0 288.297 3.133 10 30 CGEERN CC(C)(C)c1cccc(C(=O)N[C@H]2CCC[C@H]2C#N)c1 ZINC000594306793 347169466 /nfs/dbraw/zinc/16/94/66/347169466.db2.gz VLCAALICMJNBSX-ZFWWWQNUSA-N 0 0 270.376 3.406 10 30 CGEERN N#C[C@@H]1CCCC[C@H]1NCc1csc(C2CC2)n1 ZINC000595695060 347339730 /nfs/dbraw/zinc/33/97/30/347339730.db2.gz RQCDGFJMQCTNTK-WCQYABFASA-N 0 0 261.394 3.192 10 30 CGEERN Cn1c2ccccc2s/c1=N/N=C/c1ccccc1 ZINC000008574664 282606701 /nfs/dbraw/zinc/60/67/01/282606701.db2.gz QJADRQPMTNALAU-HQJKSCAWSA-N 0 0 267.357 3.175 10 30 CGEERN N#Cc1ccc(N[C@@H]2CCC[C@@H](O)C2)c(Br)c1 ZINC000611181668 348426607 /nfs/dbraw/zinc/42/66/07/348426607.db2.gz VADNIEJKIGMMLL-GHMZBOCLSA-N 0 0 295.180 3.036 10 30 CGEERN C[C@@H]1C[C@H](C)C[C@@](CC=O)(NC(=O)OC(C)(C)C)C1 ZINC000616568283 348833087 /nfs/dbraw/zinc/83/30/87/348833087.db2.gz IEWSKGGTOGMKRO-JYAVWHMHSA-N 0 0 269.385 3.295 10 30 CGEERN N#Cc1cc(Cl)c(Cl)nc1-c1ccccn1 ZINC000616576860 348834461 /nfs/dbraw/zinc/83/44/61/348834461.db2.gz PRTIWAISMOMMAV-UHFFFAOYSA-N 0 0 250.088 3.322 10 30 CGEERN COC(=O)N1CCc2ccccc2[C@H]1c1ccc(C#N)cc1 ZINC000616583980 348836453 /nfs/dbraw/zinc/83/64/53/348836453.db2.gz HEFJIFPMTOABFZ-QGZVFWFLSA-N 0 0 292.338 3.272 10 30 CGEERN CCOC(=O)N1CCCC[C@H](c2ccc(C#N)cc2)C1 ZINC000616601201 348842475 /nfs/dbraw/zinc/84/24/75/348842475.db2.gz ANVXJZVVHYGMHM-HNNXBMFYSA-N 0 0 272.348 3.284 10 30 CGEERN CCOC(=O)N1CCC[C@@H](c2ccccc2C#N)CC1 ZINC000616626612 348850716 /nfs/dbraw/zinc/85/07/16/348850716.db2.gz BBWOLBSXXDFOKZ-CYBMUJFWSA-N 0 0 272.348 3.284 10 30 CGEERN CCOC(=O)N1CCCC[C@@H](c2ccc(C#N)cc2)C1 ZINC000616650367 348857171 /nfs/dbraw/zinc/85/71/71/348857171.db2.gz ANVXJZVVHYGMHM-OAHLLOKOSA-N 0 0 272.348 3.284 10 30 CGEERN COC(=O)N1c2ccccc2NC[C@H]1c1ccccc1C#N ZINC000616683658 348866290 /nfs/dbraw/zinc/86/62/90/348866290.db2.gz IGSZYZFHEJIHGN-INIZCTEOSA-N 0 0 293.326 3.298 10 30 CGEERN CCCc1nn(-c2ccc(OC)cc2)c(Cl)c1C#N ZINC000104434913 186001579 /nfs/dbraw/zinc/00/15/79/186001579.db2.gz VMNFSYRMBSGKCY-UHFFFAOYSA-N 0 0 275.739 3.358 10 30 CGEERN CCCCCCCCCCNC(=O)[C@@H]([NH3+])C(C)C ZINC000106262372 186105992 /nfs/dbraw/zinc/10/59/92/186105992.db2.gz OLCKTNSFPSXPCK-AWEZNQCLSA-N 0 0 256.434 3.227 10 30 CGEERN C[C@@H](Cc1cccs1)N(C)c1ccc(C#N)nc1 ZINC000124265131 187129622 /nfs/dbraw/zinc/12/96/22/187129622.db2.gz WYLBAWIFLDCTML-NSHDSACASA-N 0 0 257.362 3.082 10 30 CGEERN N#Cc1ccc(C(=O)N2CCC23CCCCC3)cc1 ZINC000365496210 234106363 /nfs/dbraw/zinc/10/63/63/234106363.db2.gz GEOMFRNKOYOAST-UHFFFAOYSA-N 0 0 254.333 3.107 10 30 CGEERN C[C@@H]1C[C@@H]1Nc1ccc(Br)cc1C#N ZINC000163527526 188610073 /nfs/dbraw/zinc/61/00/73/188610073.db2.gz IGLQDYXCACKSJR-HQJQHLMTSA-N 0 0 251.127 3.141 10 30 CGEERN N#Cc1ccc(N[C@H]2CCc3c2cccc3F)cn1 ZINC000426475926 283181379 /nfs/dbraw/zinc/18/13/79/283181379.db2.gz NQVZPCJXODVWLI-HNNXBMFYSA-N 0 0 253.280 3.192 10 30 CGEERN N#Cc1ccc(NCCC(=O)NC2CCCC2)cc1Cl ZINC000301244852 200949328 /nfs/dbraw/zinc/94/93/28/200949328.db2.gz NONVRPDOZLSYGH-UHFFFAOYSA-N 0 0 291.782 3.072 10 30 CGEERN Cc1cnc(CCNc2ccc(F)cc2C#N)s1 ZINC000301415278 201000333 /nfs/dbraw/zinc/00/03/33/201000333.db2.gz LURDXLMSSZYTGJ-UHFFFAOYSA-N 0 0 261.325 3.117 10 30 CGEERN CCS[C@@H]1CC[C@]1(O)CNc1cc(Cl)ccc1C#N ZINC000301488049 201025458 /nfs/dbraw/zinc/02/54/58/201025458.db2.gz IYCNTHMHJGHGBH-KGLIPLIRSA-N 0 0 296.823 3.270 10 30 CGEERN N#Cc1nccnc1NC[C@H]1C[C@@]12CCCc1ccccc12 ZINC000301673287 201129219 /nfs/dbraw/zinc/12/92/19/201129219.db2.gz ZWYVJXLAZTWYTQ-KDOFPFPSSA-N 0 0 290.370 3.054 10 30 CGEERN CO[C@@H]1CCC[C@@H](Nc2c(C#N)cnc3ccccc32)C1 ZINC000301757980 201180620 /nfs/dbraw/zinc/18/06/20/201180620.db2.gz FANIUMXPRURKHY-ZIAGYGMSSA-N 0 0 281.359 3.476 10 30 CGEERN CCOc1cc(CNc2cc(C(C)=O)ccc2C#N)ccn1 ZINC000302105694 201344110 /nfs/dbraw/zinc/34/41/10/201344110.db2.gz NLGVUIILEXNDMZ-UHFFFAOYSA-N 0 0 295.342 3.167 10 30 CGEERN C/C(=N\NC(=S)Nc1ccc(C)cc1)c1ccco1 ZINC000000498166 368380217 /nfs/dbraw/zinc/38/02/17/368380217.db2.gz ATHZVHCHMMAKGJ-LFIBNONCSA-N 0 0 273.361 3.299 10 30 CGEERN CC(=O)N(C)c1ccc(/N=C/c2ccc(C#N)cc2)cc1 ZINC000000502760 368380327 /nfs/dbraw/zinc/38/03/27/368380327.db2.gz VINXWZSGJJHIOO-XDHOZWIPSA-N 0 0 277.327 3.292 10 30 CGEERN CC(=O)ON(C(C)=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000001635777 368425485 /nfs/dbraw/zinc/42/54/85/368425485.db2.gz NFOMHWALMFWNAQ-UHFFFAOYSA-N 0 0 281.311 3.089 10 30 in-vitro CGEERN COc1ccc(/C=N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000003172625 368494708 /nfs/dbraw/zinc/49/47/08/368494708.db2.gz PQWNRFZLFLUARS-OTYYAQKOSA-N 0 0 283.287 3.056 10 30 CGEERN C=C[C@@H]1CC[C@H](O)[C@H](N(C)C(=S)Nc2ccccc2)C1 ZINC000004116760 368532424 /nfs/dbraw/zinc/53/24/24/368532424.db2.gz DJHLMCRMGSKBHE-YUELXQCFSA-N 0 0 290.432 3.031 10 30 CGEERN CN(C)c1ccc(C(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000013834206 368668419 /nfs/dbraw/zinc/66/84/19/368668419.db2.gz ANUABCOACWDBIY-YCRREMRBSA-N 0 0 283.327 3.060 10 30 CGEERN COc1ccccc1[C@H]1O[C@H]1C(=O)c1c[nH]c2ccccc21 ZINC000015017510 368688185 /nfs/dbraw/zinc/68/81/85/368688185.db2.gz MBCHQEXCFXREOF-MSOLQXFVSA-N 0 0 293.322 3.499 10 30 CGEERN CN(O)C(=O)/C=C/c1ccc(-c2ccccc2)cc1 ZINC000028103871 368881279 /nfs/dbraw/zinc/88/12/79/368881279.db2.gz TUEHLNCQVBWQNV-FMIVXFBMSA-N 0 0 253.301 3.214 10 30 in-vivo CGEERN CCOc1ccc(OCC)c(NC2=NCCCS2)c1 ZINC000034971962 368983437 /nfs/dbraw/zinc/98/34/37/368983437.db2.gz YLVNAPISQFXQAZ-UHFFFAOYSA-N 0 0 280.393 3.198 10 30 CGEERN Cc1cc(NC[C@H](C)C#N)ccc1Br ZINC000032107781 368925154 /nfs/dbraw/zinc/92/51/54/368925154.db2.gz ABNREYYVEQUWTK-MRVPVSSYSA-N 0 0 253.143 3.329 10 30 CGEERN ON=C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000034958721 368982286 /nfs/dbraw/zinc/98/22/86/368982286.db2.gz BSTRPPSWQVZWGV-UHFFFAOYSA-N 0 0 273.163 3.419 10 30 CGEERN Cc1cccc(CN=Nc2ccccc2[N+](=O)[O-])c1 ZINC000033391517 368964268 /nfs/dbraw/zinc/96/42/68/368964268.db2.gz QYVCASKOJXVUST-GDNBJRDFSA-N 0 0 255.277 3.349 10 30 CGEERN Cc1n[nH]c(C)c1CNc1ccc(C#N)c(Cl)c1 ZINC000036864837 369034483 /nfs/dbraw/zinc/03/44/83/369034483.db2.gz TUPGCSJTMKTNMC-UHFFFAOYSA-N 0 0 260.728 3.164 10 30 CGEERN CCC[C@@H](CO)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000038314477 369146125 /nfs/dbraw/zinc/14/61/25/369146125.db2.gz FLTRRQYNLKUURD-NSHDSACASA-N 0 0 272.270 3.150 10 30 CGEERN O=C1/C(=C\c2ccccc2Br)N2CCC1CC2 ZINC000038288433 369146564 /nfs/dbraw/zinc/14/65/64/369146564.db2.gz AAGHAXSXQRLBNF-UKTHLTGXSA-N 0 0 292.176 3.085 10 30 CGEERN C=CC[C@H](C)NC(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000127884604 370957937 /nfs/dbraw/zinc/95/79/37/370957937.db2.gz GVKAXONEKFGZQD-NHYWBVRUSA-N 0 0 276.355 3.467 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NCc1ccc(Br)cc1 ZINC000054824368 369507667 /nfs/dbraw/zinc/50/76/67/369507667.db2.gz HYQYUKNMTHXDIK-AAEUAGOBSA-N 0 0 279.181 3.231 10 30 CGEERN COc1ccc(C[C@H](C#N)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000057754780 369544928 /nfs/dbraw/zinc/54/49/28/369544928.db2.gz SENVQYOKXAKQPG-CQSZACIVSA-N 0 0 282.299 3.453 10 30 CGEERN Cc1ccc2oc(C(=O)N[C@@H]3CCC[C@H]3C#N)cc2c1 ZINC000061888261 369609719 /nfs/dbraw/zinc/60/97/19/369609719.db2.gz VCXPPZIAJCHZLV-WCQYABFASA-N 0 0 268.316 3.163 10 30 CGEERN Cc1nn(C)c2nc(OCc3ccccc3C#N)cc(C)c12 ZINC000064541856 369654494 /nfs/dbraw/zinc/65/44/94/369654494.db2.gz OCIVUGWHZDNZJN-UHFFFAOYSA-N 0 0 292.342 3.036 10 30 CGEERN C#Cc1cccc(N(C)Cc2nccn2C(C)C)c1 ZINC000103146128 370320082 /nfs/dbraw/zinc/32/00/82/370320082.db2.gz OZORDRCCWFSHCJ-UHFFFAOYSA-N 0 0 253.349 3.082 10 30 CGEERN COc1ccc(CN[C@H]2CCC[C@H]2C#N)c(Cl)c1OC ZINC000110823289 370388736 /nfs/dbraw/zinc/38/87/36/370388736.db2.gz ZSBJIACNFHMPOS-JQWIXIFHSA-N 0 0 294.782 3.139 10 30 CGEERN COc1ccc(/C=N/O)cc1OCc1ccccc1F ZINC000103874920 370333273 /nfs/dbraw/zinc/33/32/73/370333273.db2.gz DROGFDYRCMKXFP-RQZCQDPDSA-N 0 0 275.279 3.221 10 30 CGEERN Cc1cc(NCCCOCC(C)C)c(C#N)c(C)n1 ZINC000219763261 376202991 /nfs/dbraw/zinc/20/29/91/376202991.db2.gz XVRXGRSSERPADT-UHFFFAOYSA-N 0 0 261.369 3.045 10 30 CGEERN C[C@H](Nc1ccc([N+](=O)[O-])c(C#N)n1)c1ccccc1 ZINC000235540850 189828537 /nfs/dbraw/zinc/82/85/37/189828537.db2.gz BXNJIAUDWLLTPX-JTQLQIEISA-N 0 0 268.276 3.035 10 30 CGEERN CCc1cnc([C@@H](C)Nc2ccc(C#N)nc2)s1 ZINC000135819048 371450677 /nfs/dbraw/zinc/45/06/77/371450677.db2.gz YSXGJFVTFVOECO-SECBINFHSA-N 0 0 258.350 3.145 10 30 CGEERN C[C@@H](NC(=O)c1cc(C#N)c[nH]1)c1ccc(F)c(Cl)c1 ZINC000175414545 373465446 /nfs/dbraw/zinc/46/54/46/373465446.db2.gz ZHTWLNXRIGCHCK-MRVPVSSYSA-N 0 0 291.713 3.170 10 30 CGEERN N#Cc1ccc(N[C@@H]2CCN(c3ccccc3)C2)c(F)c1 ZINC000301207888 373692623 /nfs/dbraw/zinc/69/26/23/373692623.db2.gz UKUJGVBHQTVMTI-CQSZACIVSA-N 0 0 281.334 3.388 10 30 CGEERN N#Cc1cccc(NCC2(c3ccccc3F)CC2)n1 ZINC000301278627 373727628 /nfs/dbraw/zinc/72/76/28/373727628.db2.gz MZPDGXCJLPRLKV-UHFFFAOYSA-N 0 0 267.307 3.236 10 30 CGEERN Cc1cc(N(C)CCOCc2ccccc2)c(C#N)c(C)n1 ZINC000301760370 373803615 /nfs/dbraw/zinc/80/36/15/373803615.db2.gz FRMNPOXEULLHGF-UHFFFAOYSA-N 0 0 295.386 3.223 10 30 CGEERN CCOCC1CCN(c2cc(C#N)ccc2C(C)=O)CC1 ZINC000302095470 373821291 /nfs/dbraw/zinc/82/12/91/373821291.db2.gz IXVLMBHTLQIHCH-UHFFFAOYSA-N 0 0 286.375 3.014 10 30 CGEERN Cc1c(C#N)cccc1NC(=O)N[C@@H]1COc2ccccc21 ZINC000178537621 373790638 /nfs/dbraw/zinc/79/06/38/373790638.db2.gz GQFBTXWVJSNPOR-OAHLLOKOSA-N 0 0 293.326 3.122 10 30 CGEERN CC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccccc1C#N ZINC000328613150 374370460 /nfs/dbraw/zinc/37/04/60/374370460.db2.gz QWPGGVSKEHZHBY-HIFRSBDPSA-N 0 0 286.375 3.314 10 30 CGEERN C[C@@]1(NC(=O)NC(C2CCC2)C2CCC2)CCCOC1 ZINC000329278569 374401798 /nfs/dbraw/zinc/40/17/98/374401798.db2.gz CZHSTHOZFHQPEW-MRXNPFEDSA-N 0 0 280.412 3.028 10 30 CGEERN CO[C@H]1CCCC[C@@H]1NC(=O)C[C@@H]1CCCCNC1=O ZINC000328735718 374379151 /nfs/dbraw/zinc/37/91/51/374379151.db2.gz ZEZSGROQSXBDRX-AVGNSLFASA-N 0 0 282.384 3.047 10 30 CGEERN CCc1nc2cc(NC(=O)N3C[C@H]4CCC[C@@H]43)ccc2o1 ZINC000329927481 374442841 /nfs/dbraw/zinc/44/28/41/374442841.db2.gz LQSBTDKLQGTMRQ-MFKMUULPSA-N 0 0 285.347 3.420 10 30 CGEERN C=C(C)C[C@H](C)C(=O)NC1(c2noc(CC)n2)CCCC1 ZINC000185767809 374731798 /nfs/dbraw/zinc/73/17/98/374731798.db2.gz GYGIGGCHJGXMGI-LBPRGKRZSA-N 0 0 291.395 3.120 10 30 CGEERN C=CC[C@H](C(=O)N[C@H](C)[C@@H]1CCCO1)c1ccccc1 ZINC000186602806 374884205 /nfs/dbraw/zinc/88/42/05/374884205.db2.gz YBVWKQDPOBRKAV-KBMXLJTQSA-N 0 0 273.376 3.030 10 30 CGEERN C=C[C@@](C)(CC)C(=O)N[C@@H](C)COCc1ccccc1 ZINC000188462155 375217844 /nfs/dbraw/zinc/21/78/44/375217844.db2.gz MGMSGDMSWICPHZ-YOEHRIQHSA-N 0 0 275.392 3.310 10 30 CGEERN C(#Cc1ccccc1)C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000192028740 375690329 /nfs/dbraw/zinc/69/03/29/375690329.db2.gz RRDYRNMDSAJLCM-INIZCTEOSA-N 0 0 251.329 3.468 10 30 CGEERN CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(C#N)cc2)C1 ZINC000260883700 377809572 /nfs/dbraw/zinc/80/95/72/377809572.db2.gz OBLSHYGIUIGLCS-CQSZACIVSA-N 0 0 272.348 3.283 10 30 CGEERN CCOC(=O)c1cc(CC)cc(C(F)F)c1C#N ZINC000575389702 377897687 /nfs/dbraw/zinc/89/76/87/377897687.db2.gz KSRVEVUIMQQYNM-UHFFFAOYSA-N 0 0 253.248 3.235 10 30 CGEERN CCOC(=O)c1c(O)ccc(C#N)c1SC(F)(F)F ZINC000575392350 377899961 /nfs/dbraw/zinc/89/99/61/377899961.db2.gz UUCUDJUYDLCHCF-UHFFFAOYSA-N 0 0 291.250 3.052 10 30 CGEERN COC(=O)c1ccc(C#N)c(C(F)F)c1C(F)(F)F ZINC000575343760 377883798 /nfs/dbraw/zinc/88/37/98/377883798.db2.gz GYOJRTHFZPGKRC-UHFFFAOYSA-N 0 0 279.164 3.301 10 30 CGEERN COC(=O)c1cc(C(F)F)c(C#N)cc1C(F)(F)F ZINC000575344249 377885115 /nfs/dbraw/zinc/88/51/15/377885115.db2.gz YJHKJIKSTOSQJL-UHFFFAOYSA-N 0 0 279.164 3.301 10 30 CGEERN OCc1ccc(C(F)(F)F)c(F)c1C(F)(F)F ZINC000575381726 377892637 /nfs/dbraw/zinc/89/26/37/377892637.db2.gz XXDJZGDSWSUSRO-UHFFFAOYSA-N 0 0 262.124 3.356 10 30 CGEERN CCOC(=O)c1ccc(C(F)(F)F)c(C#N)c1Cl ZINC000575383309 377893635 /nfs/dbraw/zinc/89/36/35/377893635.db2.gz OOUHKUZQLGIJFI-UHFFFAOYSA-N 0 0 277.629 3.407 10 30 CGEERN COC(=O)c1ccc(Cl)c(C#N)c1C(F)(F)F ZINC000575383227 377893645 /nfs/dbraw/zinc/89/36/45/377893645.db2.gz KBAISVBPIRECEB-UHFFFAOYSA-N 0 0 263.602 3.017 10 30 CGEERN COC(=O)c1cc(C(F)(F)F)cc(Cl)c1C#N ZINC000575383287 377893676 /nfs/dbraw/zinc/89/36/76/377893676.db2.gz NKCQTTAHAHBFBI-UHFFFAOYSA-N 0 0 263.602 3.017 10 30 CGEERN CCOC(=O)c1cc(OC(F)F)c(C#N)cc1C(F)F ZINC000575385333 377895317 /nfs/dbraw/zinc/89/53/17/377895317.db2.gz LOCUEAZBCADNQQ-UHFFFAOYSA-N 0 0 291.200 3.274 10 30 CGEERN CCOC(=O)c1ccc(CC)c(OC(F)(F)F)c1C#N ZINC000575389031 377896227 /nfs/dbraw/zinc/89/62/27/377896227.db2.gz RXAFWDQROYYJHX-UHFFFAOYSA-N 0 0 287.237 3.196 10 30 CGEERN CCOC(=O)c1cc(SC(F)(F)F)c(C#N)cc1O ZINC000575392009 377899634 /nfs/dbraw/zinc/89/96/34/377899634.db2.gz KXMPZTLNTFEKLY-UHFFFAOYSA-N 0 0 291.250 3.052 10 30 CGEERN N#Cc1cc(F)cc(OC(F)(F)F)c1OC(F)F ZINC000575659312 377934756 /nfs/dbraw/zinc/93/47/56/377934756.db2.gz FQZUIENGWOOKJJ-UHFFFAOYSA-N 0 0 271.116 3.197 10 30 CGEERN Cc1c(OC(F)F)ccc(C#N)c1OC(F)(F)F ZINC000575664262 377939785 /nfs/dbraw/zinc/93/97/85/377939785.db2.gz DHODYGYZXXJTBV-UHFFFAOYSA-N 0 0 267.153 3.367 10 30 CGEERN N#Cc1ccc(OC(F)F)c([N+](=O)[O-])c1C(F)(F)F ZINC000575665381 377941742 /nfs/dbraw/zinc/94/17/42/377941742.db2.gz DKFNHAHWIRDODU-UHFFFAOYSA-N 0 0 282.124 3.087 10 30 CGEERN N#CCc1cc([N+](=O)[O-])c(OC(F)F)cc1C(F)(F)F ZINC000575668810 377945872 /nfs/dbraw/zinc/94/58/72/377945872.db2.gz XLFAKZHSJBIDFW-UHFFFAOYSA-N 0 0 296.151 3.281 10 30 CGEERN CCOc1cc(CC)cc(C#N)c1OC(F)(F)F ZINC000575672126 377948787 /nfs/dbraw/zinc/94/87/87/377948787.db2.gz XKLCUFZPVBPOCQ-UHFFFAOYSA-N 0 0 259.227 3.418 10 30 CGEERN N#Cc1cc(Br)c(OC(F)F)cc1F ZINC000575680280 377953616 /nfs/dbraw/zinc/95/36/16/377953616.db2.gz LIPAGJPYCDRCPP-UHFFFAOYSA-N 0 0 266.016 3.061 10 30 CGEERN COC(=O)c1cc(SC(F)(F)F)c(C#N)cc1C ZINC000575394269 377901165 /nfs/dbraw/zinc/90/11/65/377901165.db2.gz AGUZPDIDJSNIMQ-UHFFFAOYSA-N 0 0 275.251 3.265 10 30 CGEERN CCOC(=O)c1cc(C)c(C(F)(F)F)cc1C#N ZINC000575394653 377902299 /nfs/dbraw/zinc/90/22/99/377902299.db2.gz ILJQVKHGHQTPTO-UHFFFAOYSA-N 0 0 257.211 3.062 10 30 CGEERN COc1ccc(-c2snc(Cl)c2C#N)c(OC)c1 ZINC000575434289 377908709 /nfs/dbraw/zinc/90/87/09/377908709.db2.gz KXPFBDYNUWTETR-UHFFFAOYSA-N 0 0 280.736 3.352 10 30 CGEERN N#Cc1cc(F)c(Br)cc1OC(F)F ZINC000575680721 377954706 /nfs/dbraw/zinc/95/47/06/377954706.db2.gz VCVMBLCDUWQWEU-UHFFFAOYSA-N 0 0 266.016 3.061 10 30 CGEERN N#CCc1cc(O)c(Br)cc1C(F)F ZINC000575684164 377959063 /nfs/dbraw/zinc/95/90/63/377959063.db2.gz FZMXSCFZLSFKRC-UHFFFAOYSA-N 0 0 262.053 3.158 10 30 CGEERN COc1c(Br)ccc(C(F)F)c1CC#N ZINC000575685547 377960078 /nfs/dbraw/zinc/96/00/78/377960078.db2.gz MRUUDORHYKTLJG-UHFFFAOYSA-N 0 0 276.080 3.461 10 30 CGEERN N#CCc1cc(OC(F)(F)F)cc(Br)c1O ZINC000575690783 377965515 /nfs/dbraw/zinc/96/55/15/377965515.db2.gz CHDDOXAGEVLECQ-UHFFFAOYSA-N 0 0 296.042 3.119 10 30 CGEERN CCc1cc(CC#N)c(OC)cc1OC(F)(F)F ZINC000575702569 377976193 /nfs/dbraw/zinc/97/61/93/377976193.db2.gz GWRURJANADWPAW-UHFFFAOYSA-N 0 0 259.227 3.222 10 30 CGEERN CO/N=C1\C[C@@H](C)c2c1cccc2Br ZINC000584648013 378396135 /nfs/dbraw/zinc/39/61/35/378396135.db2.gz UBXBASJXHJJFMH-VWOVKODVSA-N 0 0 254.127 3.307 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)Cc1ccc2c(c1)NC(=O)C2 ZINC000329569266 542447400 /nfs/dbraw/zinc/44/74/00/542447400.db2.gz PSNQVNSVICBLQF-STQMWFEESA-N 0 0 283.331 3.022 10 30 CGEERN O=C(Nc1cc2c(cc1Cl)OCO2)N1C[C@H]2CCC[C@H]21 ZINC000328891593 542445377 /nfs/dbraw/zinc/44/53/77/542445377.db2.gz SRWWQWBZHLHDDB-LDYMZIIASA-N 0 0 294.738 3.099 10 30 CGEERN C[C@H](NCCC#N)c1cccc(Br)c1 ZINC000020199517 262232566 /nfs/dbraw/zinc/23/25/66/262232566.db2.gz GSINVMYQTBUBBD-VIFPVBQESA-N 0 0 253.143 3.013 10 30 CGEERN FC(F)[C@H](O[C@@H](C(F)F)C(F)(F)F)C(F)(F)F ZINC000100440158 256840801 /nfs/dbraw/zinc/84/08/01/256840801.db2.gz JZBQCJRCMQCPKE-LWMBPPNESA-N 0 0 282.077 3.395 10 30 CGEERN C=CCC1(C(=O)N[C@@H]2CCOc3ccccc32)CCC1 ZINC000190695581 130135292 /nfs/dbraw/zinc/13/52/92/130135292.db2.gz ZYMPZBWCTMGIMW-CQSZACIVSA-N 0 0 271.360 3.373 10 30 CGEERN CC(C)C[C@H](C)C(=O)N1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000366180082 392451021 /nfs/dbraw/zinc/45/10/21/392451021.db2.gz GCSWLQNGGLOOER-ZOBUZTSGSA-N 0 0 292.423 3.122 10 30 CGEERN Cc1cc(N2C[C@H]3CCCC[C@@H]3C2)c(C#N)c(C)n1 ZINC000301793106 392598004 /nfs/dbraw/zinc/59/80/04/392598004.db2.gz RSNDVTWCBQYCKC-ZIAGYGMSSA-N 0 0 255.365 3.197 10 30 CGEERN CC(C)c1ccc([C@@H](C)NC(=O)NC[C@@H](C)C#N)cc1 ZINC000182345827 392744680 /nfs/dbraw/zinc/74/46/80/392744680.db2.gz GAMYOIVTIHANEB-QWHCGFSZSA-N 0 0 273.380 3.330 10 30 CGEERN CC1(C#C[Si](C)(C)C)CCC2(CC1)OCCO2 ZINC000200946912 392979994 /nfs/dbraw/zinc/97/99/94/392979994.db2.gz INJRWOKYEBKOJO-UHFFFAOYSA-N 0 0 252.430 3.191 10 30 CGEERN O=C(/C=C/Cl)c1cc(O)cc(Br)c1 ZINC000575464254 393200206 /nfs/dbraw/zinc/20/02/06/393200206.db2.gz PMFDBKLLIDUEJT-OWOJBTEDSA-N 0 0 261.502 3.090 10 30 CGEERN N#CC[C@H]1CC[C@@H](c2occc2Br)O1 ZINC000307523346 397680940 /nfs/dbraw/zinc/68/09/40/397680940.db2.gz DEBDHOVAWUNWTB-APPZFPTMSA-N 0 0 256.099 3.176 10 30 CGEERN Cc1c(N)cc(Br)cc1C#CC(F)(F)F ZINC000675079196 543313550 /nfs/dbraw/zinc/31/35/50/543313550.db2.gz RKWADSOFTPDDAC-UHFFFAOYSA-N 0 0 278.071 3.254 10 30 CGEERN COc1ccc2c(c1)[C@@H](S)C[C@@H](C(F)(F)F)O2 ZINC000043464978 286424937 /nfs/dbraw/zinc/42/49/37/286424937.db2.gz NFGXMCIWTUDCLO-UWVGGRQHSA-N 0 0 264.268 3.380 10 30 CGEERN O=[N+]([O-])c1ccccc1N=NC1CCc2ccccc21 ZINC000005163138 170072696 /nfs/dbraw/zinc/07/26/96/170072696.db2.gz YHFOOEZWVLLHPT-DTQAZKPQSA-N 0 0 267.288 3.357 10 30 CGEERN Cc1ccc(NN=Cc2ccc3c(c2)OCO3)cc1 ZINC000005339611 170087261 /nfs/dbraw/zinc/08/72/61/170087261.db2.gz VEPWYYXKYBMPJH-CXUHLZMHSA-N 0 0 254.289 3.170 10 30 CGEERN CC(=O)Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O ZINC000005852918 170147251 /nfs/dbraw/zinc/14/72/51/170147251.db2.gz WMQKQMNXMSQVMK-PXNMLYILSA-N 0 0 298.269 3.367 10 30 CGEERN CC1(C)CC(=O)C=C(NNc2ccc([N+](=O)[O-])cc2)C1 ZINC000006050194 170172182 /nfs/dbraw/zinc/17/21/82/170172182.db2.gz DHFNJDOFADPATH-WJDWOHSUSA-N 0 0 275.308 3.142 10 30 CGEERN O=[N+]([O-])c1ccccc1C=NNc1ccc(F)cc1 ZINC000006674962 170225366 /nfs/dbraw/zinc/22/53/66/170225366.db2.gz XKVHZRRSWBGFMG-OQLLNIDSSA-N 0 0 259.240 3.180 10 30 CGEERN Cc1ccc(CN=Nc2oc(C(C)C)nc2C#N)o1 ZINC000006846597 170248662 /nfs/dbraw/zinc/24/86/62/170248662.db2.gz KVUNSJZZNUBFIB-VIZOYTHASA-N 0 0 258.281 3.017 10 30 CGEERN Cc1ccccc1NN=Cc1ccc([N+](=O)[O-])cc1 ZINC000007892099 170306387 /nfs/dbraw/zinc/30/63/87/170306387.db2.gz BNIPTBCDYHFFLW-XNTDXEJSSA-N 0 0 255.277 3.349 10 30 CGEERN C=CCOc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000009814930 170385947 /nfs/dbraw/zinc/38/59/47/170385947.db2.gz YOXQROFGXBXXCX-UHFFFAOYSA-N 0 0 298.298 3.412 10 30 CGEERN N#CCc1nc(-c2ccccc2OC(F)F)cs1 ZINC000019518915 170825039 /nfs/dbraw/zinc/82/50/39/170825039.db2.gz QBZDSLBCNGKGOI-UHFFFAOYSA-N 0 0 266.272 3.478 10 30 CGEERN CC(=O)c1cccc(NC(=O)Nc2ccccc2C#N)c1 ZINC000020514525 171231943 /nfs/dbraw/zinc/23/19/43/171231943.db2.gz TXWKVEUJMNEGJE-UHFFFAOYSA-N 0 0 279.299 3.405 10 30 CGEERN CO/N=C(/Cc1ccccc1)c1ccc(OC)cc1 ZINC000034616944 171845589 /nfs/dbraw/zinc/84/55/89/171845589.db2.gz YUPCCDIPPINZRA-MSUUIHNZSA-N 0 0 255.317 3.288 10 30 CGEERN Cc1cc(C#N)cc(OCc2cccc(Cl)c2)n1 ZINC000034790698 171867214 /nfs/dbraw/zinc/86/72/14/171867214.db2.gz XDGUYOFWWFFLND-UHFFFAOYSA-N 0 0 258.708 3.494 10 30 CGEERN O=CCOc1ccc2ccccc2c1Br ZINC000035068577 171964669 /nfs/dbraw/zinc/96/46/69/171964669.db2.gz OMLOAMXZHMFLGT-UHFFFAOYSA-N 0 0 265.106 3.180 10 30 CGEERN C[C@H](O)c1cccc(OCc2ccc(C#N)cc2)c1 ZINC000035188700 172043070 /nfs/dbraw/zinc/04/30/70/172043070.db2.gz XZNFTORJPYMXBL-LBPRGKRZSA-N 0 0 253.301 3.191 10 30 CGEERN CCn1nccc1C(=O)/C=C\c1ccc(OC(F)F)cc1 ZINC000035678814 172349912 /nfs/dbraw/zinc/34/99/12/172349912.db2.gz ICXGXBMNJMGCKM-YVMONPNESA-N 0 0 292.285 3.401 10 30 CGEERN N#Cc1cccc([C@@H](C#N)Nc2ccccc2F)c1 ZINC000037938892 173878784 /nfs/dbraw/zinc/87/87/84/173878784.db2.gz BZEIYPBNIAJBMM-OAHLLOKOSA-N 0 0 251.264 3.374 10 30 CGEERN N#Cc1ccc(NC(=O)CCc2ccc(N)cc2)cc1Cl ZINC000038051677 174063636 /nfs/dbraw/zinc/06/36/36/174063636.db2.gz GSKSHXLRVDPABJ-UHFFFAOYSA-N 0 0 299.761 3.365 10 30 CGEERN CC[C@H](C)N[C@@H](C#N)c1cc(Cl)c2c(c1)OCCO2 ZINC000038064451 174075473 /nfs/dbraw/zinc/07/54/73/174075473.db2.gz NVBYMICZHKRBRV-CABZTGNLSA-N 0 0 280.755 3.064 10 30 CGEERN COC(=O)c1sc(Oc2cccc(C#N)c2)nc1Cl ZINC000038082179 174091107 /nfs/dbraw/zinc/09/11/07/174091107.db2.gz WWDCEUFHNQYDPK-UHFFFAOYSA-N 0 0 294.719 3.247 10 30 CGEERN Cc1cc(C)c(C#N)c(N(CC(F)(F)F)C(C)C)n1 ZINC000042780648 174876955 /nfs/dbraw/zinc/87/69/55/174876955.db2.gz GUNDFGSYIXPVBU-UHFFFAOYSA-N 0 0 271.286 3.347 10 30 CGEERN COc1cccc(NC(=O)[C@H](C#N)Cc2ccccc2)c1 ZINC000044811691 175258108 /nfs/dbraw/zinc/25/81/08/175258108.db2.gz ZJEXLCULQKMYPO-AWEZNQCLSA-N 0 0 280.327 3.016 10 30 CGEERN C=CCNC(=O)[C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000045323609 175359915 /nfs/dbraw/zinc/35/99/15/175359915.db2.gz AQZOIQKJMVEWNT-GFCCVEGCSA-N 0 0 269.344 3.254 10 30 CGEERN CCCSCc1ccc(C#CCCO)cc1F ZINC000049622430 175495321 /nfs/dbraw/zinc/49/53/21/175495321.db2.gz AIKLWMMRTDVNIJ-UHFFFAOYSA-N 0 0 252.354 3.203 10 30 CGEERN CC(C)[C@@H](C#N)NC(=O)Nc1ccc(Cl)cc1 ZINC000071573875 176200650 /nfs/dbraw/zinc/20/06/50/176200650.db2.gz GDCQTDOPLKPMNR-LLVKDONJSA-N 0 0 251.717 3.010 10 30 CGEERN N#Cc1cccc(Cn2cc(CO)c3ccccc32)c1 ZINC000077009489 177145463 /nfs/dbraw/zinc/14/54/63/177145463.db2.gz GKALCIPWLCKLTQ-UHFFFAOYSA-N 0 0 262.312 3.054 10 30 CGEERN C=CC[C@H](C)C(=O)[C@H](C)NC(=O)OCc1ccccc1 ZINC000685961677 544111544 /nfs/dbraw/zinc/11/15/44/544111544.db2.gz NGNFCJSVAYTCNY-STQMWFEESA-N 0 0 275.348 3.083 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1cncc2ccccc21 ZINC000330057600 228028385 /nfs/dbraw/zinc/02/83/85/228028385.db2.gz XTFJGILXXWSAMU-NHYWBVRUSA-N 0 0 265.316 3.232 10 30 CGEERN Cc1onc(-c2ccccn2)c1C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000330091731 228037170 /nfs/dbraw/zinc/03/71/70/228037170.db2.gz YAGNCTZRQIATGU-VXGBXAGGSA-N 0 0 296.330 3.042 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)Nc1ccc2c(c1)CCCC2 ZINC000333725631 228211521 /nfs/dbraw/zinc/21/15/21/228211521.db2.gz VWOIBZWRHRANDF-GDBMZVCRSA-N 0 0 283.375 3.379 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NCc1ccc2ccccc2n1 ZINC000086317696 260207332 /nfs/dbraw/zinc/20/73/32/260207332.db2.gz IJDNBFJMMGJUTE-DZGCQCFKSA-N 0 0 251.333 3.017 10 30 CGEERN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](C)COC ZINC000103360528 260612128 /nfs/dbraw/zinc/61/21/28/260612128.db2.gz JCFJRSIJWWOJEG-JTQLQIEISA-N 0 0 287.812 3.199 10 30 CGEERN CCN(C[C@H](C)C#N)C(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000183376455 260689253 /nfs/dbraw/zinc/68/92/53/260689253.db2.gz SGTQHVWWAPOYLU-BFHYXJOUSA-N 0 0 264.413 3.457 10 30 CGEERN Cc1csc2c1ncnc2N[C@@H]1CCC[C@H]1C#N ZINC000408327842 260796118 /nfs/dbraw/zinc/79/61/18/260796118.db2.gz DLZOEGXNUOOWDY-VHSXEESVSA-N 0 0 258.350 3.104 10 30 CGEERN CC[C@@H](C#N)NC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000102350539 261220575 /nfs/dbraw/zinc/22/05/75/261220575.db2.gz LDKVOPSYFVKBNY-LBPRGKRZSA-N 0 0 272.279 3.118 10 30 CGEERN C#CCCCCC(=O)N1CCC[C@@H]1c1nccs1 ZINC000364241208 262189704 /nfs/dbraw/zinc/18/97/04/262189704.db2.gz SASMHQZKNNLSPZ-GFCCVEGCSA-N 0 0 262.378 3.000 10 30 CGEERN N#CC1(NC(=O)[C@H]2C[C@H]2C2CCCCC2)CCSCC1 ZINC000162239423 262326294 /nfs/dbraw/zinc/32/62/94/262326294.db2.gz OHSQLOVHERMBBI-KBPBESRZSA-N 0 0 292.448 3.108 10 30 CGEERN C#CCCCCC(=O)N[C@H](C)c1ccc(OC)c(OC)c1 ZINC000119568588 263275995 /nfs/dbraw/zinc/27/59/95/263275995.db2.gz QBMDGSFOFBDVDR-CYBMUJFWSA-N 0 0 289.375 3.075 10 30 CGEERN CC(C)CC1(C(=O)N[C@@H]2CCC[C@H]2C#N)CCCC1 ZINC000094817892 265258002 /nfs/dbraw/zinc/25/80/02/265258002.db2.gz BVGOMWZWPRYKKH-UONOGXRCSA-N 0 0 262.397 3.401 10 30 CGEERN CC(C)C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCCC(=O)N2)CCO1 ZINC000329916293 277459208 /nfs/dbraw/zinc/45/92/08/277459208.db2.gz YTXHHDNWXWQERT-MCIONIFRSA-N 0 0 296.411 3.436 10 30 CGEERN CC(C)[C@H]1CCO[C@H]1C(=O)NC(C)(C)c1nccs1 ZINC000329345707 280390305 /nfs/dbraw/zinc/39/03/05/280390305.db2.gz UUJDCEMWCZKEBS-GHMZBOCLSA-N 0 0 282.409 3.396 10 30 CGEERN CC(C)[C@H]1CCO[C@H]1C(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000329357003 280390745 /nfs/dbraw/zinc/39/07/45/280390745.db2.gz WLAPFTOABBCJOB-YRGRVCCFSA-N 0 0 294.395 3.046 10 30 CGEERN Cc1nc(-c2ccccc2)oc1C(=O)N[C@@H]1CCCNC1=O ZINC000329890119 293142171 /nfs/dbraw/zinc/14/21/71/293142171.db2.gz FQGRPYTWGZLAFU-GFCCVEGCSA-N 0 0 299.330 3.074 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1C[C@]12CCOc1ccccc12 ZINC000330128757 294820195 /nfs/dbraw/zinc/82/01/95/294820195.db2.gz JOPKUCZCRJWBFL-FRQROOTJSA-N 0 0 296.370 3.376 10 30 CGEERN CC(N=Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000012403692 326832073 /nfs/dbraw/zinc/83/20/73/326832073.db2.gz QIBUZINZLVBULK-RVDMUPIBSA-N 0 0 255.277 3.431 10 30 CGEERN CC(C)(C)OC(=O)N1C[C@@H](C=O)C[C@@H]1c1ccccc1 ZINC000095764192 327203109 /nfs/dbraw/zinc/20/31/09/327203109.db2.gz CAVGRVQPQJPMGF-GXTWGEPZSA-N 0 0 275.348 3.184 10 30 CGEERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)N[C@@H](C#N)C1CCCCC1 ZINC000176575553 329176928 /nfs/dbraw/zinc/17/69/28/329176928.db2.gz JHRQHIWLNJSKFV-PVUWLOKVSA-N 0 0 298.386 3.140 10 30 CGEERN Cc1cccc2c1OCC[C@@H]2NC(=O)C1(C#N)CCCCC1 ZINC000189952584 329390356 /nfs/dbraw/zinc/39/03/56/329390356.db2.gz FSBQAUCPFOHTIU-HNNXBMFYSA-N 0 0 298.386 3.409 10 30 CGEERN C=CCCCC(=O)N[C@H]1CCOc2c(C)cccc21 ZINC000189938560 329390504 /nfs/dbraw/zinc/39/05/04/329390504.db2.gz RPHGBHAZJRGDFR-AWEZNQCLSA-N 0 0 259.349 3.291 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1c(Cl)cccc1Cl ZINC000061888988 329681410 /nfs/dbraw/zinc/68/14/10/329681410.db2.gz OIHYOLQKWAWKKW-KCJUWKMLSA-N 0 0 283.158 3.415 10 30 CGEERN C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1C[C@H]1C ZINC000247184878 329877391 /nfs/dbraw/zinc/87/73/91/329877391.db2.gz PRSCNAZSPRHBES-WZRBSPASSA-N 0 0 289.404 3.468 10 30 CGEERN C[C@@H](C#N)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000248456074 329893773 /nfs/dbraw/zinc/89/37/73/329893773.db2.gz LIPPZMDWTMILTI-DZGCQCFKSA-N 0 0 280.375 3.168 10 30 CGEERN C=CCCCC[C@H](C)[NH2+]C[C@H](CC(C)C)C(=O)[O-] ZINC000263074009 330042056 /nfs/dbraw/zinc/04/20/56/330042056.db2.gz QFPFECFSVDUVEN-KBPBESRZSA-N 0 0 255.402 3.458 10 30 CGEERN C=CCOc1ccccc1CN[C@H](C)c1ncc(C)o1 ZINC000220939382 333171054 /nfs/dbraw/zinc/17/10/54/333171054.db2.gz NBUKJZZAXAPVEO-CYBMUJFWSA-N 0 0 272.348 3.399 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NCc1cccc(OC(F)(F)F)c1 ZINC000230686385 333320878 /nfs/dbraw/zinc/32/08/78/333320878.db2.gz VMVIHSPUXHLQMO-AAEUAGOBSA-N 0 0 284.281 3.367 10 30 CGEERN CCCCOc1ccc(C(=O)N[C@H]2CCC[C@@H]2C#N)cc1 ZINC000061888716 333474778 /nfs/dbraw/zinc/47/47/78/333474778.db2.gz OAXGUUKQWYXXHM-ZBFHGGJFSA-N 0 0 286.375 3.288 10 30 CGEERN CC(C)CS[C@H](C/C(N)=N/O)c1ccccc1 ZINC000055023023 519769856 /nfs/dbraw/zinc/76/98/56/519769856.db2.gz PBUOAPIKEDWSRH-GFCCVEGCSA-N 0 0 252.383 3.253 10 30 CGEERN C[C@@H]1OCC[C@@H]1NC(=O)C1CCC(NC(=O)C2CC2)CC1 ZINC000330011881 534167886 /nfs/dbraw/zinc/16/78/86/534167886.db2.gz JQGAABDUXVVZPL-RSUZKEPVSA-N 0 0 294.395 3.046 10 30 CGEERN CCCN(c1cccc(Cl)c1/C(N)=N/O)C(C)C ZINC000052904275 521697295 /nfs/dbraw/zinc/69/72/95/521697295.db2.gz HPNHJBIIJXJYIM-UHFFFAOYSA-N 0 0 269.776 3.059 10 30 CGEERN CN(C[C@H]1CCCCO1)[C@@H](CC#N)c1ccccc1 ZINC000055020362 523108090 /nfs/dbraw/zinc/10/80/90/523108090.db2.gz XEZAOUNEHZVXFL-CVEARBPZSA-N 0 0 258.365 3.142 10 30 CGEERN CC[C@H]1CO[C@H](C)CN1[C@@H](CC#N)c1ccccc1 ZINC000055020339 523353501 /nfs/dbraw/zinc/35/35/01/523353501.db2.gz 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/nfs/dbraw/zinc/72/64/78/623726478.db2.gz YCCSAEIRBNMUPZ-LBPRGKRZSA-N 0 0 262.740 3.017 10 30 CGEERN C[C@H](C#N)NC(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000068925735 624769868 /nfs/dbraw/zinc/76/98/68/624769868.db2.gz LODGFRNFPQYHJF-LLVKDONJSA-N 0 0 291.310 3.137 10 30 CGEERN CC(C)CCN(CCC#N)C(=O)CSC(C)(C)C ZINC000103440819 626351196 /nfs/dbraw/zinc/35/11/96/626351196.db2.gz MADVGGHAEJWWIM-UHFFFAOYSA-N 0 0 270.442 3.306 10 30 CGEERN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1S ZINC000757162372 630587717 /nfs/dbraw/zinc/58/77/17/630587717.db2.gz CYEMTMZSLJVQQA-TUAOUCFPSA-N 0 0 271.426 3.484 10 30 CGEERN C#CC[C@H](OC(=O)c1cccc(C)c1)c1ccccn1 ZINC000105549396 635920782 /nfs/dbraw/zinc/92/07/82/635920782.db2.gz YROQUGVOKHJNSZ-INIZCTEOSA-N 0 0 265.312 3.311 10 30 CGEERN COc1ccc(C[C@@H](C)OC(=O)c2cccc(C#N)c2)cc1 ZINC000077562975 640247314 /nfs/dbraw/zinc/24/73/14/640247314.db2.gz AFVXINGPFPJVMB-CYBMUJFWSA-N 0 0 295.338 3.355 10 30 CGEERN C#CCCCC(=O)O[C@@H](C)c1ccccc1OCC ZINC000191115768 640291004 /nfs/dbraw/zinc/29/10/04/640291004.db2.gz SNDJYXVAJQEGMI-ZDUSSCGKSA-N 0 0 260.333 3.493 10 30 CGEERN C#CCC(C)(C)COC(=O)/C=C\c1ccnc(Cl)c1 ZINC000588404960 799689256 /nfs/dbraw/zinc/68/92/56/799689256.db2.gz BUPPNCSGUUEGQB-WAYWQWQTSA-N 0 0 277.751 3.341 10 30 CGEERN COc1ccccc1/C=C\C(=O)c1cc(O)ccc1OC ZINC000588410328 799690291 /nfs/dbraw/zinc/69/02/91/799690291.db2.gz DCLUPMKJBGURNH-CLFYSBASSA-N 0 0 284.311 3.306 10 30 CGEERN CCn1cc(C(=O)/C=C\c2cccc3cnccc23)cn1 ZINC000588423200 799692748 /nfs/dbraw/zinc/69/27/48/799692748.db2.gz NGAKDOKNIPFJOY-SREVYHEPSA-N 0 0 277.327 3.347 10 30 CGEERN COc1ccsc1C(=O)/C=C\c1cccc2nccn21 ZINC000588488973 799700995 /nfs/dbraw/zinc/70/09/95/799700995.db2.gz BBUOOVGTBJMTSW-WAYWQWQTSA-N 0 0 284.340 3.301 10 30 CGEERN C=C[C@](C)(CCOC)COC(=O)/C=C\c1scnc1C ZINC000588552120 799710284 /nfs/dbraw/zinc/71/02/84/799710284.db2.gz TYTZHMMFSIMRPY-IDTUSYRASA-N 0 0 295.404 3.237 10 30 CGEERN CC(=O)N1CCC(c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000096028677 185067316 /nfs/dbraw/zinc/06/73/16/185067316.db2.gz GDYHRKAIOBSFGN-UHFFFAOYSA-N 0 0 296.292 3.303 10 30 CGEERN CCc1ccc(C(=O)/C=C2/C(=O)Nc3ccccc32)cc1 ZINC000096861221 185118267 /nfs/dbraw/zinc/11/82/67/185118267.db2.gz JYNOTQQIOIWNOT-RVDMUPIBSA-N 0 0 277.323 3.467 10 30 CGEERN CC[C@@](C)(OC)c1noc([C@@]2(C#N)CC23CCCC3)n1 ZINC000333860569 529514728 /nfs/dbraw/zinc/51/47/28/529514728.db2.gz RPZCUAWSYIIFOQ-HIFRSBDPSA-N 0 0 275.352 3.067 10 30 CGEERN C[C@](C#N)(c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000003619240 344858867 /nfs/dbraw/zinc/85/88/67/344858867.db2.gz CCZBAFVGPJASIZ-HNNXBMFYSA-N 0 0 252.273 3.424 10 30 CGEERN C=CCOc1cc(OC)ccc1C(=O)c1ccccc1 ZINC000034253083 344938246 /nfs/dbraw/zinc/93/82/46/344938246.db2.gz HRTPLKOYOAGKDA-UHFFFAOYSA-N 0 0 268.312 3.491 10 30 CGEERN N#Cc1cccc(CCC(=O)Sc2ccccn2)c1 ZINC000039153545 344958073 /nfs/dbraw/zinc/95/80/73/344958073.db2.gz MAVSWFDDJHDQPT-UHFFFAOYSA-N 0 0 268.341 3.205 10 30 CGEERN C[C@@]1(c2cccc(Br)c2)CC(=O)C=CO1 ZINC000069852303 345386248 /nfs/dbraw/zinc/38/62/48/345386248.db2.gz IUSKKRJFZMYZGZ-LBPRGKRZSA-N 0 0 267.122 3.167 10 30 CGEERN COc1ccc(C(=O)/C=C/c2ccc(C)cc2F)cn1 ZINC000116047561 345975071 /nfs/dbraw/zinc/97/50/71/345975071.db2.gz HRZYEBRANTVQTE-FNORWQNLSA-N 0 0 271.291 3.434 10 30 CGEERN CCOC(=O)COc1ccc(C#Cc2ccccc2)cc1 ZINC000116496227 345978349 /nfs/dbraw/zinc/97/83/49/345978349.db2.gz KFEISSSSFZMIBP-UHFFFAOYSA-N 0 0 280.323 3.028 10 30 CGEERN CN(C)/C=C(/C(=O)c1ccc(F)cc1)c1ccncc1 ZINC000142373063 346111359 /nfs/dbraw/zinc/11/13/59/346111359.db2.gz YOIDNBKTAAGZJE-RVDMUPIBSA-N 0 0 270.307 3.006 10 30 CGEERN N#CN=C(Nc1ccccc1F)Oc1ccccc1 ZINC000147670801 346126855 /nfs/dbraw/zinc/12/68/55/346126855.db2.gz SWLMAKDXXPAGKW-UHFFFAOYSA-N 0 0 255.252 3.154 10 30 CGEERN CCOc1ccc(-c2ccc(C#N)cc2)cc1C=O ZINC000149972587 346132564 /nfs/dbraw/zinc/13/25/64/346132564.db2.gz LBZOMRKIHKFLNT-UHFFFAOYSA-N 0 0 251.285 3.436 10 30 CGEERN CC(C)=CC(=O)c1ccc(I)cc1 ZINC000169159575 346191934 /nfs/dbraw/zinc/19/19/34/346191934.db2.gz ADVQQRDAVCUENJ-UHFFFAOYSA-N 0 0 286.112 3.440 10 30 CGEERN CO/N=C(\Cc1ccc(OC)cc1)c1ccccc1 ZINC000215157759 346288717 /nfs/dbraw/zinc/28/87/17/346288717.db2.gz YTFXVDZXFLGUBO-WUKNDPDISA-N 0 0 255.317 3.288 10 30 CGEERN C[C@]1(C(=O)C=C(Nc2ccccc2)c2ccccc2)CO1 ZINC000216375209 346289965 /nfs/dbraw/zinc/28/99/65/346289965.db2.gz NNULQOURTPSFCP-XSVZSIDJSA-N 0 0 279.339 3.498 10 30 CGEERN C=C(C)CC1(C(=O)OC)CCN(C(=O)OC(C)(C)C)CC1 ZINC000216639878 346290313 /nfs/dbraw/zinc/29/03/13/346290313.db2.gz JTTHGGVZHBDKCE-UHFFFAOYSA-N 0 0 297.395 3.143 10 30 CGEERN COC(=O)c1ccc(N=Cc2ccc(C#N)cc2)cc1 ZINC000257354244 346400197 /nfs/dbraw/zinc/40/01/97/346400197.db2.gz WOWMSSTZVSBGIA-UHFFFAOYSA-N 0 0 264.284 3.095 10 30 CGEERN C=C[C@@H](C)Nc1cccc(F)c1I ZINC000300941828 346439384 /nfs/dbraw/zinc/43/93/84/346439384.db2.gz KEUCWAVPPWQWJU-SSDOTTSWSA-N 0 0 291.107 3.417 10 30 CGEERN CC(=O)/C(C)=C/c1cccc(I)c1 ZINC000306156228 346451043 /nfs/dbraw/zinc/45/10/43/346451043.db2.gz HVYSPXRSOVTGDT-SOFGYWHQSA-N 0 0 286.112 3.284 10 30 CGEERN O=CC1(Cc2cc(Br)ccc2F)CC1 ZINC000306254151 346452564 /nfs/dbraw/zinc/45/25/64/346452564.db2.gz UFARGQJOOWOCTA-UHFFFAOYSA-N 0 0 257.102 3.110 10 30 CGEERN C/C=C/CNc1ccc(C#N)c(Br)c1 ZINC000306819582 346458108 /nfs/dbraw/zinc/45/81/08/346458108.db2.gz HFKAXPDVIGRMIG-NSCUHMNNSA-N 0 0 251.127 3.309 10 30 CGEERN O=C1C=CO[C@H](c2cccc(F)c2Br)C1 ZINC000307252355 346460901 /nfs/dbraw/zinc/46/09/01/346460901.db2.gz RYWSTTZPDBAHCE-JTQLQIEISA-N 0 0 271.085 3.132 10 30 CGEERN C[C@H](CC#N)C(=O)c1cccc(F)c1Br ZINC000307254401 346460929 /nfs/dbraw/zinc/46/09/29/346460929.db2.gz XTGYVMZUVPYJHF-SSDOTTSWSA-N 0 0 270.101 3.321 10 30 CGEERN CCc1nc(C#N)cc(N[C@@H](C)c2ccccc2C)n1 ZINC000308189421 346466292 /nfs/dbraw/zinc/46/62/92/346466292.db2.gz MIKYKONCVJFAOM-LBPRGKRZSA-N 0 0 266.348 3.392 10 30 CGEERN Cc1ccc(O)c(/N=C/c2ccc3c(c2)OCO3)c1 ZINC000100132135 185706563 /nfs/dbraw/zinc/70/65/63/185706563.db2.gz LWBDSBUDXYLAJK-LZYBPNLTSA-N 0 0 255.273 3.180 10 30 CGEERN O=C(C=CNc1ccc(F)cc1F)C(F)(F)F ZINC000100311422 185712712 /nfs/dbraw/zinc/71/27/12/185712712.db2.gz IGTOXEOKGNMXHE-ARJAWSKDSA-N 0 0 251.154 3.022 10 30 CGEERN CCC(C#N)(CC)C(=O)N[C@H](C)COCc1ccccc1 ZINC000390754271 346574333 /nfs/dbraw/zinc/57/43/33/346574333.db2.gz FYVNNJIEPUGKFR-CQSZACIVSA-N 0 0 288.391 3.038 10 30 CGEERN C[C@@H](C(=O)ON(C)OC(=O)[C@@H](C)C(C)(C)C)C(C)(C)C ZINC000585656162 346725987 /nfs/dbraw/zinc/72/59/87/346725987.db2.gz QHQUNYPUXNSVRP-PHIMTYICSA-N 0 0 287.400 3.199 10 30 CGEERN CCOC(=O)C[C@@H](C)[C@](C)(C#N)c1cccc(OC)c1 ZINC000584594828 346686986 /nfs/dbraw/zinc/68/69/86/346686986.db2.gz ZNAIOHMCEAXLPQ-WBMJQRKESA-N 0 0 275.348 3.066 10 30 CGEERN CCOC(=O)C[C@@H](C#N)c1ccc(CC(C)C)cc1 ZINC000584596753 346687570 /nfs/dbraw/zinc/68/75/70/346687570.db2.gz LQUWDSFJIGQMHF-HNNXBMFYSA-N 0 0 259.349 3.445 10 30 CGEERN N#Cc1ccccc1C#C[C@](O)(C1CCCC1)C1(C#N)CC1 ZINC000584598788 346689031 /nfs/dbraw/zinc/68/90/31/346689031.db2.gz VYPZCQCJBMWDHD-IBGZPJMESA-N 0 0 290.366 3.135 10 30 CGEERN CCC(=O)C=CNc1ccc(Br)cc1 ZINC000584610921 346692030 /nfs/dbraw/zinc/69/20/30/346692030.db2.gz DKOIJRNVLHZGAX-FPLPWBNLSA-N 0 0 254.127 3.354 10 30 CGEERN C=CCOC(=O)Cc1ccc(-c2ccc(O)cc2)cc1 ZINC000584611957 346692352 /nfs/dbraw/zinc/69/23/52/346692352.db2.gz VLRUUJXZCYCNOW-UHFFFAOYSA-N 0 0 268.312 3.331 10 30 CGEERN COc1ccccc1C(=O)C=C1SCCS1 ZINC000584621918 346695881 /nfs/dbraw/zinc/69/58/81/346695881.db2.gz XPEWIOIMWMWPGF-UHFFFAOYSA-N 0 0 252.360 3.199 10 30 CGEERN CCOC(=O)C(Cl)=NNc1cccc(Cl)c1C ZINC000606206187 348172665 /nfs/dbraw/zinc/17/26/65/348172665.db2.gz ADPSMTFVUBHIMA-UHFFFAOYSA-N 0 0 275.135 3.176 10 30 CGEERN N#Cc1cc(CN2CCCC[C@@H]2c2nccs2)ccn1 ZINC000610992191 348415233 /nfs/dbraw/zinc/41/52/33/348415233.db2.gz JYDQXDHPORLZEW-CQSZACIVSA-N 0 0 284.388 3.137 10 30 CGEERN CC(=O)N1CCc2ccccc2[C@H]1c1ccc(C#N)cc1 ZINC000616583589 348836461 /nfs/dbraw/zinc/83/64/61/348836461.db2.gz FQCJIDHIRQSIOK-GOSISDBHSA-N 0 0 276.339 3.052 10 30 CGEERN N#Cc1cccc(C(=O)N2CCC[C@@H]2c2ccco2)c1 ZINC000116048091 186692585 /nfs/dbraw/zinc/69/25/85/186692585.db2.gz PROYDQUYIPSVJY-CQSZACIVSA-N 0 0 266.300 3.129 10 30 CGEERN C[C@H](Cc1cccs1)N(C)c1ccc(C#N)nc1 ZINC000124265386 187129433 /nfs/dbraw/zinc/12/94/33/187129433.db2.gz WYLBAWIFLDCTML-LLVKDONJSA-N 0 0 257.362 3.082 10 30 CGEERN N#Cc1ccccc1-c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000091362166 283213734 /nfs/dbraw/zinc/21/37/34/283213734.db2.gz ALDMZKBBVVFFCT-UHFFFAOYSA-N 0 0 264.244 3.010 10 30 CGEERN COc1ccccc1[C@@H](C)CNc1nnc(C)c(C)c1C#N ZINC000301184379 200932829 /nfs/dbraw/zinc/93/28/29/200932829.db2.gz ONUYLTNCOBYNHD-NSHDSACASA-N 0 0 296.374 3.189 10 30 CGEERN Cc1ccc([C@H]2CCCCN2C(=O)c2c[nH]c(C#N)c2)o1 ZINC000181311010 189293686 /nfs/dbraw/zinc/29/36/86/189293686.db2.gz GUMSVNYYSSYZLY-CQSZACIVSA-N 0 0 283.331 3.155 10 30 CGEERN N#Cc1cc(F)ccc1NCCc1nc2cc(F)ccc2[nH]1 ZINC000301708421 201153841 /nfs/dbraw/zinc/15/38/41/201153841.db2.gz HAJZUISOLVZWJJ-UHFFFAOYSA-N 0 0 298.296 3.367 10 30 CGEERN Cc1cc(N(C)Cc2ccc(Cl)nc2)c(C#N)c(C)n1 ZINC000301785985 201195354 /nfs/dbraw/zinc/19/53/54/201195354.db2.gz OZQDRDZJDVEUHJ-UHFFFAOYSA-N 0 0 286.766 3.255 10 30 CGEERN CO[C@@H]1CCC[C@@H](Nc2snc(Cl)c2C#N)C1 ZINC000301809656 201210983 /nfs/dbraw/zinc/21/09/83/201210983.db2.gz ZOMRSECKJRSIOJ-HTQZYQBOSA-N 0 0 271.773 3.038 10 30 CGEERN CCC[C@H](C#C[Si](C)(C)C)N[S@](=O)C(C)(C)C ZINC000170012562 283757082 /nfs/dbraw/zinc/75/70/82/283757082.db2.gz JPNYDMZMKCNGAK-MLGOLLRUSA-N 0 0 273.518 3.088 10 30 CGEERN Cc1ccc(NC[C@@H]2C[C@@H]2c2ccccc2)nc1C#N ZINC000302666887 201503481 /nfs/dbraw/zinc/50/34/81/201503481.db2.gz QGZJAXQECPGZQK-LSDHHAIUSA-N 0 0 263.344 3.477 10 30 CGEERN COC(=O)c1ccc(/C=N/c2ccc(C)cc2O)cc1 ZINC000000226286 368319256 /nfs/dbraw/zinc/31/92/56/368319256.db2.gz CQWPKUKJZBGIKR-LICLKQGHSA-N 0 0 269.300 3.238 10 30 CGEERN C=C(Br)Cc1c(O)ccc2c(C)cc(=O)oc21 ZINC000000165696 368307703 /nfs/dbraw/zinc/30/77/03/368307703.db2.gz XVVZGYIASWHJTM-UHFFFAOYSA-N 0 0 295.132 3.258 10 30 CGEERN N#Cc1ccccc1COc1ncnc2sccc21 ZINC000003376473 368505344 /nfs/dbraw/zinc/50/53/44/368505344.db2.gz XLWVVLFGPIYHGL-UHFFFAOYSA-N 0 0 267.313 3.142 10 30 CGEERN Fc1cccc(C#Cc2csc(Br)n2)c1 ZINC000013680939 368660364 /nfs/dbraw/zinc/66/03/64/368660364.db2.gz XPOUXVRKZDTDJY-UHFFFAOYSA-N 0 0 282.137 3.445 10 30 in-vivo CGEERN CCOC(=O)c1sc(SC)c2c1CCC/C2=N\OC ZINC000013658641 368661207 /nfs/dbraw/zinc/66/12/07/368661207.db2.gz ZCFWTKKNQLHEQX-NTEUORMPSA-N 0 0 299.417 3.334 10 30 CGEERN CCOP(=O)(OCC)Oc1cccc(C(=O)CC#N)c1 ZINC000014960889 368687471 /nfs/dbraw/zinc/68/74/71/368687471.db2.gz QAKLCHHPNCSIJW-UHFFFAOYSA-N 0 0 297.247 3.343 10 30 CGEERN N/N=C(\c1cccs1)c1nccc2ccccc21 ZINC000033960834 368971388 /nfs/dbraw/zinc/97/13/88/368971388.db2.gz XOAXMPAEJXWNDD-SAPNQHFASA-N 0 0 253.330 3.007 10 30 CGEERN C=CCn1cc(I)c2ccccc21 ZINC000034535801 368975340 /nfs/dbraw/zinc/97/53/40/368975340.db2.gz BEQCWIKKCKJZDP-UHFFFAOYSA-N 0 0 283.112 3.432 10 30 CGEERN N#CCCN(c1ccccc1)c1ccc(CO)cc1 ZINC000034956827 368981692 /nfs/dbraw/zinc/98/16/92/368981692.db2.gz WTTWPCBGYOXXFH-UHFFFAOYSA-N 0 0 252.317 3.231 10 30 CGEERN CNc1ccc(/C=N/OCc2ccccc2)cc1[N+](=O)[O-] ZINC000032891471 368949427 /nfs/dbraw/zinc/94/94/27/368949427.db2.gz IWYZUYCXXQCWOE-LICLKQGHSA-N 0 0 285.303 3.187 10 30 CGEERN C[C@H](CC#N)C(=O)c1ccc(Br)cc1 ZINC000033426670 368964951 /nfs/dbraw/zinc/96/49/51/368964951.db2.gz CZFMVNRMLPEAHV-MRVPVSSYSA-N 0 0 252.111 3.182 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NCc1ccc(Br)cc1 ZINC000054824367 369507051 /nfs/dbraw/zinc/50/70/51/369507051.db2.gz HYQYUKNMTHXDIK-WCQYABFASA-N 0 0 279.181 3.231 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1csc2ccccc12 ZINC000061888257 369609386 /nfs/dbraw/zinc/60/93/86/369609386.db2.gz MCWFEBUHEHBLML-GXFFZTMASA-N 0 0 270.357 3.323 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)c1cc2c(s1)CCCCC2 ZINC000061888739 369609793 /nfs/dbraw/zinc/60/97/93/369609793.db2.gz DXGRRDVUPFBGIS-CHWSQXEVSA-N 0 0 288.416 3.439 10 30 CGEERN CC(C)Oc1ccccc1CN[C@H]1CCC[C@H]1C#N ZINC000061892093 369610749 /nfs/dbraw/zinc/61/07/49/369610749.db2.gz MUOPBWCRSGPQMC-ZFWWWQNUSA-N 0 0 258.365 3.256 10 30 CGEERN COc1cccc(CN[C@H]2CCC[C@H]2C#N)c1OC(F)F ZINC000061891929 369611039 /nfs/dbraw/zinc/61/10/39/369611039.db2.gz HYAWJGJPGOLDSM-JQWIXIFHSA-N 0 0 296.317 3.078 10 30 CGEERN COc1cccc(/C=N\c2ccc(NC(C)=O)cc2)c1 ZINC000100226126 370273924 /nfs/dbraw/zinc/27/39/24/370273924.db2.gz IGTJVZQQQUGDCX-BOPFTXTBSA-N 0 0 268.316 3.404 10 30 CGEERN C#Cc1cccc(NC(=O)[C@@H]2Oc3ccccc3[C@H]2C)c1 ZINC000117589578 370595677 /nfs/dbraw/zinc/59/56/77/370595677.db2.gz QGCBQCLKYUHJQB-SJKOYZFVSA-N 0 0 277.323 3.171 10 30 CGEERN C/C=C/CCNc1nc(C(F)(F)F)ccc1C#N ZINC000134680328 371358472 /nfs/dbraw/zinc/35/84/72/371358472.db2.gz IWOZWPOYEOWZCM-NSCUHMNNSA-N 0 0 255.243 3.350 10 30 CGEERN C=C(C)COc1cccc(NC(=O)[C@@H]2CC[C@@H](C)O2)c1 ZINC000151895477 371649925 /nfs/dbraw/zinc/64/99/25/371649925.db2.gz HHDJHRPAXYRELF-DOMZBBRYSA-N 0 0 275.348 3.148 10 30 CGEERN N#Cc1ccc(C(=O)N2CCC[C@H](c3nccs3)C2)cc1 ZINC000171646074 372799763 /nfs/dbraw/zinc/79/97/63/372799763.db2.gz DJDMXZAFKHZFRX-AWEZNQCLSA-N 0 0 297.383 3.035 10 30 CGEERN CCc1nc(C2(NCc3ccccc3C#N)CCCC2)no1 ZINC000173693973 373177058 /nfs/dbraw/zinc/17/70/58/373177058.db2.gz DZHPGHGGSDHTFX-UHFFFAOYSA-N 0 0 296.374 3.063 10 30 CGEERN N#CCCCCNC(=O)N1CCCC[C@H]1c1nccs1 ZINC000176325362 373583433 /nfs/dbraw/zinc/58/34/33/373583433.db2.gz JBJLHKWMMSEGKL-LBPRGKRZSA-N 0 0 292.408 3.074 10 30 CGEERN C[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(C#N)n2)CC1 ZINC000300422225 373634291 /nfs/dbraw/zinc/63/42/91/373634291.db2.gz FFEHUWDBWNXWFB-GHMZBOCLSA-N 0 0 274.324 3.242 10 30 CGEERN N#Cc1ccc(Cl)cc1NC[C@@H](O)C1CCCC1 ZINC000301283668 373728575 /nfs/dbraw/zinc/72/85/75/373728575.db2.gz PMOHBQLZVNMOTB-CQSZACIVSA-N 0 0 264.756 3.175 10 30 CGEERN Cc1csc(CCCNc2ccc(C)c(C#N)n2)n1 ZINC000302673108 373922328 /nfs/dbraw/zinc/92/23/28/373922328.db2.gz SJBFWJKRWVFAGW-UHFFFAOYSA-N 0 0 272.377 3.071 10 30 CGEERN C[C@H]1CC[C@]2(CCN(c3c(C#N)cccc3C#N)C2)C1 ZINC000302887784 373997857 /nfs/dbraw/zinc/99/78/57/373997857.db2.gz NZRQPXIWDMTMEX-GUYCJALGSA-N 0 0 265.360 3.446 10 30 CGEERN O=C(NC1CCC1)[C@@H]1CCC[C@@H]1C(=O)NC1CCC1 ZINC000328895210 374391710 /nfs/dbraw/zinc/39/17/10/374391710.db2.gz BFSCZPBATUCZJH-BETUJISGSA-N 0 0 264.369 3.421 10 30 CGEERN C[C@H](C(=O)N[C@@H]1CCC(=O)NC12CCC2)C1CC1 ZINC000328743153 374378992 /nfs/dbraw/zinc/37/89/92/374378992.db2.gz NFRQWMGLPKKTEU-GXSJLCMTSA-N 0 0 250.342 3.031 10 30 CGEERN C[C@H](CC1CC1)NC(=O)C[C@H]1CCCCC(=O)N1 ZINC000328837208 374387788 /nfs/dbraw/zinc/38/77/88/374387788.db2.gz SVTZSQDJDCOHMR-ZYHUDNBSSA-N 0 0 252.358 3.421 10 30 CGEERN CC(C)CC[C@@H](C)Nc1cnn(-c2ncccc2C#N)c1 ZINC000186002466 374782780 /nfs/dbraw/zinc/78/27/80/374782780.db2.gz PXHIDQZOSBIGIS-CYBMUJFWSA-N 0 0 283.379 3.376 10 30 CGEERN Cc1csc([C@@H]2CCCN(C[C@H](C#N)CCC#N)C2)n1 ZINC000195402837 376101870 /nfs/dbraw/zinc/10/18/70/376101870.db2.gz IUMMHUKACUPLSO-UONOGXRCSA-N 0 0 288.420 3.074 10 30 CGEERN C[C@]12C=C[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C=CC2=O ZINC000196191691 376119940 /nfs/dbraw/zinc/11/99/40/376119940.db2.gz HXTGAOFUFNFMCV-USOAJAOKSA-N 0 0 284.399 3.431 10 30 CGEERN C[C@@H](Nc1ccc(C#N)cc1F)c1cncc(F)c1 ZINC000235240897 376636608 /nfs/dbraw/zinc/63/66/08/376636608.db2.gz OOWCFYMAJYPXEL-SECBINFHSA-N 0 0 259.259 3.405 10 30 CGEERN C[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C#N)n2)C[C@@H]1C ZINC000235325691 376637793 /nfs/dbraw/zinc/63/77/93/376637793.db2.gz JBDNERJWZRAXQA-VWYCJHECSA-N 0 0 274.324 3.098 10 30 CGEERN N#CC1(c2ccccc2)CC(NCC(F)(F)C(F)F)C1 ZINC000236210986 376661725 /nfs/dbraw/zinc/66/17/25/376661725.db2.gz PIDFRDFGRYDHCW-UHFFFAOYSA-N 0 0 286.272 3.100 10 30 CGEERN Cc1csc([C@@H]2CCCN(C[C@@H](C#N)CCC#N)C2)n1 ZINC000249868526 377539321 /nfs/dbraw/zinc/53/93/21/377539321.db2.gz IUMMHUKACUPLSO-ZIAGYGMSSA-N 0 0 288.420 3.074 10 30 CGEERN Cn1c(Cl)c(Cl)cc1CNc1ncccc1C#N ZINC000301663593 249078828 /nfs/dbraw/zinc/07/88/28/249078828.db2.gz VNEDLPALPWOKLS-UHFFFAOYSA-N 0 0 281.146 3.211 10 30 CGEERN CSc1nnc(C(F)F)n1N=Cc1ccccc1C ZINC000254865153 377715052 /nfs/dbraw/zinc/71/50/52/377715052.db2.gz WENMTPGWQWXENV-UHFFFAOYSA-N 0 0 282.319 3.128 10 30 CGEERN N#CC1(Cc2cc(Br)ccc2F)CC1 ZINC000259180680 377805017 /nfs/dbraw/zinc/80/50/17/377805017.db2.gz OZIHGVRMSSVLBK-UHFFFAOYSA-N 0 0 254.102 3.434 10 30 CGEERN CCOC(=O)c1cc(SC(F)(F)F)c(F)cc1C#N ZINC000575390678 377898413 /nfs/dbraw/zinc/89/84/13/377898413.db2.gz PGOITUCFCJSKMH-UHFFFAOYSA-N 0 0 293.241 3.486 10 30 CGEERN OCc1cc(F)c(C(F)(F)F)cc1C(F)(F)F ZINC000575339699 377880513 /nfs/dbraw/zinc/88/05/13/377880513.db2.gz NCLQMWJTASZXLR-UHFFFAOYSA-N 0 0 262.124 3.356 10 30 CGEERN COC(=O)c1cc(C(F)(F)F)cc(C#N)c1C(F)(F)F ZINC000575341201 377882771 /nfs/dbraw/zinc/88/27/71/377882771.db2.gz OFYRDFFFCFWIOX-UHFFFAOYSA-N 0 0 297.154 3.382 10 30 CGEERN COC(=O)c1cc(C#N)c(C(F)F)c(C(F)(F)F)c1 ZINC000575344217 377885180 /nfs/dbraw/zinc/88/51/80/377885180.db2.gz VYBSPMWZADMYOU-UHFFFAOYSA-N 0 0 279.164 3.301 10 30 CGEERN CCOC(=O)c1cc(C#N)cc(CC)c1C(F)(F)F ZINC000575390194 377899124 /nfs/dbraw/zinc/89/91/24/377899124.db2.gz ZTSQYXWBRFTZKX-UHFFFAOYSA-N 0 0 271.238 3.316 10 30 CGEERN CCOC(=O)Cc1c(Cl)cc(C(F)(F)F)cc1C#N ZINC000575383262 377893803 /nfs/dbraw/zinc/89/38/03/377893803.db2.gz LUTBJRLAHPZANK-UHFFFAOYSA-N 0 0 291.656 3.336 10 30 CGEERN CCOC(=O)Cc1cc(Cl)cc(C(F)(F)F)c1C#N ZINC000575383389 377893933 /nfs/dbraw/zinc/89/39/33/377893933.db2.gz RYMRUXFHGVLWPF-UHFFFAOYSA-N 0 0 291.656 3.336 10 30 CGEERN CCOC(=O)Cc1ccc(C(F)(F)F)c(C#N)c1Cl ZINC000575383071 377894068 /nfs/dbraw/zinc/89/40/68/377894068.db2.gz FLXPOUXDEVSRBT-UHFFFAOYSA-N 0 0 291.656 3.336 10 30 CGEERN CCOc1cc(CC#N)c(OCC)c(C(F)F)c1 ZINC000575648616 377927068 /nfs/dbraw/zinc/92/70/68/377927068.db2.gz HIKKPBXUDGXVTF-UHFFFAOYSA-N 0 0 255.264 3.488 10 30 CGEERN Cc1cc(C#N)c(OC(F)(F)F)cc1OC(F)F ZINC000575665157 377942150 /nfs/dbraw/zinc/94/21/50/377942150.db2.gz PWKPICCBXYVDMF-UHFFFAOYSA-N 0 0 267.153 3.367 10 30 CGEERN COc1c(CC#N)cc(OC(F)F)cc1C(F)(F)F ZINC000575665776 377943243 /nfs/dbraw/zinc/94/32/43/377943243.db2.gz UCNQPOAFORNBQJ-UHFFFAOYSA-N 0 0 281.180 3.381 10 30 CGEERN Cc1cc(Br)c(CC#N)c(OC(F)F)c1 ZINC000575682858 377956854 /nfs/dbraw/zinc/95/68/54/377956854.db2.gz FQFIIDMCVWAHIG-UHFFFAOYSA-N 0 0 276.080 3.425 10 30 CGEERN N#Cc1cc(OC(F)F)c([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000575668604 377946543 /nfs/dbraw/zinc/94/65/43/377946543.db2.gz VXKFYORMFSLSMA-UHFFFAOYSA-N 0 0 282.124 3.087 10 30 CGEERN COc1cc(Br)c(Cl)c(CC#N)c1 ZINC000575674157 377949435 /nfs/dbraw/zinc/94/94/35/377949435.db2.gz NBDLCEMCZPZIDG-UHFFFAOYSA-N 0 0 260.518 3.177 10 30 CGEERN COc1cc(CC#N)cc(Cl)c1Br ZINC000575674263 377949451 /nfs/dbraw/zinc/94/94/51/377949451.db2.gz QKTOIOBRNNIREA-UHFFFAOYSA-N 0 0 260.518 3.177 10 30 CGEERN Fc1ccc(OC(F)F)c(F)c1OC(F)(F)F ZINC000575396773 377903530 /nfs/dbraw/zinc/90/35/30/377903530.db2.gz FEMDCIQHROHFKM-UHFFFAOYSA-N 0 0 264.096 3.465 10 30 CGEERN COC(=O)Cc1cc(C)c(C#N)cc1SC(F)(F)F ZINC000575395708 377903986 /nfs/dbraw/zinc/90/39/86/377903986.db2.gz 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C#C[C@@H](C)NC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000186069658 276791823 /nfs/dbraw/zinc/79/18/23/276791823.db2.gz IWFRZYDRRHBSJR-UKRRQHHQSA-N 0 0 298.386 3.144 10 30 CGEERN C[C@H]1SCCN(c2c(F)cc(C#N)cc2F)[C@H]1C ZINC000134771299 280091200 /nfs/dbraw/zinc/09/12/00/280091200.db2.gz QNHYGUKLPJGHIT-DTWKUNHWSA-N 0 0 268.332 3.167 10 30 CGEERN Cc1nc(N[C@H]2CCCc3ccccc32)ccc1C#N ZINC000336829774 280181989 /nfs/dbraw/zinc/18/19/89/280181989.db2.gz AYGQSELSOQFHJD-INIZCTEOSA-N 0 0 263.344 3.173 10 30 CGEERN N#C[C@H]1CCC[C@H]1NCc1cccc(F)c1Br ZINC000382668217 336095683 /nfs/dbraw/zinc/09/56/83/336095683.db2.gz VHWCBTHPCNOEQE-BXKDBHETSA-N 0 0 297.171 3.370 10 30 CGEERN C[C@]12CC[C@@H]3[C@H](CC(=O)C4=CC(=O)C=C[C@]43C)[C@H]1CCC2=O ZINC000504172828 300874231 /nfs/dbraw/zinc/87/42/31/300874231.db2.gz BXPQXTJWPDQYMP-QQJUHFMZSA-N 0 0 298.382 3.042 10 30 CGEERN O/N=C/c1ccc(OCc2cccnc2)c(Cl)c1 ZINC000253560721 328115797 /nfs/dbraw/zinc/11/57/97/328115797.db2.gz BDVSWMXQXSMVIS-LZYBPNLTSA-N 0 0 262.696 3.122 10 30 CGEERN C=CCC[C@H](CCC)[NH2+]C[C@H](CC(C)C)C(=O)[O-] ZINC000263019974 330039058 /nfs/dbraw/zinc/03/90/58/330039058.db2.gz DWIPSSMTVWIEED-KBPBESRZSA-N 0 0 255.402 3.458 10 30 CGEERN COCCNc1ccc(-c2ccc(C=O)s2)cc1C#N ZINC000536956268 330383128 /nfs/dbraw/zinc/38/31/28/330383128.db2.gz XYNXHKZMASIHRQ-UHFFFAOYSA-N 0 0 286.356 3.158 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NCc1cc(F)cc(Br)c1 ZINC000312286628 333079590 /nfs/dbraw/zinc/07/95/90/333079590.db2.gz RQEXPQVDKJXJEQ-GWCFXTLKSA-N 0 0 297.171 3.370 10 30 CGEERN C[C@H](c1noc([C@]2(C#N)CC23CCCC3)n1)C1CC1 ZINC000333853134 534153563 /nfs/dbraw/zinc/15/35/63/534153563.db2.gz PWLDGERNSMRMSL-ZUZCIYMTSA-N 0 0 257.337 3.309 10 30 CGEERN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000184507806 518631740 /nfs/dbraw/zinc/63/17/40/518631740.db2.gz DJKXICSNDBLKDE-ZNMIVQPWSA-N 0 0 291.391 3.296 10 30 CGEERN C=CCN(Cc1ccccc1OCC)C(=O)C1CCC1 ZINC000055575745 518788468 /nfs/dbraw/zinc/78/84/68/518788468.db2.gz BFAPKSKZPUYKSP-UHFFFAOYSA-N 0 0 273.376 3.400 10 30 CGEERN CCO[C@@H]1C[C@H](N(C)c2ccc(C#N)cn2)C12CCCC2 ZINC000156882929 520409320 /nfs/dbraw/zinc/40/93/20/520409320.db2.gz WJMYQPXPQVKJTL-LSDHHAIUSA-N 0 0 285.391 3.127 10 30 CGEERN C[C@@H]1CCN(c2cc(Cl)ccc2/C(N)=N/O)[C@H](C)C1 ZINC000062789545 524523881 /nfs/dbraw/zinc/52/38/81/524523881.db2.gz FLLPZHYQSBFHAP-NXEZZACHSA-N 0 0 281.787 3.059 10 30 CGEERN Cc1ccc(C#N)cc1Nc1c(F)cc(N)cc1F ZINC000050429568 526009626 /nfs/dbraw/zinc/00/96/26/526009626.db2.gz ZMRBBEWBVCKVFT-UHFFFAOYSA-N 0 0 259.259 3.471 10 30 CGEERN N#Cc1ccc(NCc2ccc(N)cc2)cc1Cl ZINC000061847151 526663702 /nfs/dbraw/zinc/66/37/02/526663702.db2.gz ZCJFXSKZYLAQHK-UHFFFAOYSA-N 0 0 257.724 3.406 10 30 CGEERN N#Cc1ccccc1Oc1c(F)cc(C=O)cc1F ZINC000062708544 526747529 /nfs/dbraw/zinc/74/75/29/526747529.db2.gz IQEWMXWSYUDPRJ-UHFFFAOYSA-N 0 0 259.211 3.441 10 30 CGEERN CC(C)Oc1ncccc1NC(=O)N1CC[C@@H]2CCC[C@H]21 ZINC000330257768 528279377 /nfs/dbraw/zinc/27/93/77/528279377.db2.gz QXDNIVBKYIWDDQ-GXTWGEPZSA-N 0 0 289.379 3.289 10 30 CGEERN CCC1(CNC(=O)N[C@@H]2CCO[C@@H]2C)CCCCC1 ZINC000330203910 529033008 /nfs/dbraw/zinc/03/30/08/529033008.db2.gz CISSUNUCEPJMKU-CHWSQXEVSA-N 0 0 268.401 3.028 10 30 CGEERN Oc1c(Br)cc(Cl)cc1CS ZINC000757165247 617829194 /nfs/dbraw/zinc/82/91/94/617829194.db2.gz LCHDNVSUQXHEKH-UHFFFAOYSA-N 0 0 253.548 3.238 10 30 CGEERN C#CCC(C)(C)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000184964913 625284801 /nfs/dbraw/zinc/28/48/01/625284801.db2.gz LCDKXZNZUVCWDV-MNOVXSKESA-N 0 0 275.314 3.273 10 30 CGEERN C=C(Br)CNC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000161918419 618728270 /nfs/dbraw/zinc/72/82/70/618728270.db2.gz RRZGUNWFNKZUFD-RYUDHWBXSA-N 0 0 286.213 3.228 10 30 CGEERN C#CCCCCNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000156361955 622815598 /nfs/dbraw/zinc/81/55/98/622815598.db2.gz OXKROZQBBWPXRU-SJORKVTESA-N 0 0 285.387 3.074 10 30 CGEERN COc1cccc2cc(CN[C@@H]3CCC[C@H]3C#N)oc21 ZINC000061892184 623185920 /nfs/dbraw/zinc/18/59/20/623185920.db2.gz NRCJSAGFDOWKSK-GXTWGEPZSA-N 0 0 270.332 3.223 10 30 CGEERN C#CC[C@H](OC(=O)Cc1ccccc1Cl)C1CC1 ZINC000175332257 624631089 /nfs/dbraw/zinc/63/10/89/624631089.db2.gz NPSWSFHJUQBFTN-AWEZNQCLSA-N 0 0 262.736 3.228 10 30 CGEERN C[C@H](C#N)NC(=O)/C=C/c1cccc(OC2CCCC2)c1 ZINC000067914182 624659814 /nfs/dbraw/zinc/65/98/14/624659814.db2.gz RANQPRXKRWGOST-WTNCMQEWSA-N 0 0 284.359 3.049 10 30 CGEERN C=CCCOC(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000103648361 630339394 /nfs/dbraw/zinc/33/93/94/630339394.db2.gz OJKRJROZHDXKJF-UHFFFAOYSA-N 0 0 274.238 3.247 10 30 CGEERN Oc1ccccc1/C=N/[C@@H]1CCOc2ccccc21 ZINC000022690560 635504596 /nfs/dbraw/zinc/50/45/96/635504596.db2.gz DAIVPLBLCBKIIL-SWEABUAFSA-N 0 0 253.301 3.335 10 30 CGEERN C=CC[C@H](C)NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)CC ZINC000116862470 639176357 /nfs/dbraw/zinc/17/63/57/639176357.db2.gz NBNMBVZZAUDNFY-RWMBFGLXSA-N 0 0 298.427 3.007 10 30 CGEERN C=C(Br)CN[C@H](C)c1csc(C)n1 ZINC000158856584 640020801 /nfs/dbraw/zinc/02/08/01/640020801.db2.gz WIDZVAUDRPEYMQ-SSDOTTSWSA-N 0 0 261.188 3.011 10 30 CGEERN C=CCC[C@@H](C)OC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000089320011 640640323 /nfs/dbraw/zinc/64/03/23/640640323.db2.gz SBIWSWRZFRZETE-OLZOCXBDSA-N 0 0 297.395 3.141 10 30 CGEERN COc1cc(C=NO)ccc1OCc1ccccc1F ZINC000250376852 640812838 /nfs/dbraw/zinc/81/28/38/640812838.db2.gz JCRYERDGLXXRJF-UHFFFAOYSA-N 0 0 275.279 3.221 10 30 CGEERN CCOc1ccc(O)c(/C=N\Cc2ccc(Cl)cn2)c1 ZINC000588384511 799686059 /nfs/dbraw/zinc/68/60/59/799686059.db2.gz PCQGTCCSOLXPEX-IUXPMGMMSA-N 0 0 290.750 3.458 10 30 CGEERN Cc1cc([N+](=O)[O-])ccc1/C=C\C(=O)c1ccco1 ZINC000588450145 799695792 /nfs/dbraw/zinc/69/57/92/799695792.db2.gz CGICMRWEPUSNTI-ALCCZGGFSA-N 0 0 257.245 3.392 10 30 CGEERN C#C[C@@H](OC(=O)/C(C)=C\c1ccc(OC)c(F)c1)C1CC1 ZINC000588447976 799696219 /nfs/dbraw/zinc/69/62/19/799696219.db2.gz RJAAHVDKOZBWSM-ZHUYAKLQSA-N 0 0 288.318 3.193 10 30 CGEERN C/C(=C/C(C)(C)C)C(=O)NCCOc1ccc(C#N)cc1 ZINC000588498350 799702251 /nfs/dbraw/zinc/70/22/51/799702251.db2.gz OOWXDTHFMWLZNM-QBFSEMIESA-N 0 0 286.375 3.046 10 30 CGEERN C=C[C@H](C)OC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588539663 799708273 /nfs/dbraw/zinc/70/82/73/799708273.db2.gz YJNLIYYVUXGSKT-JUDLJHIGSA-N 0 0 261.277 3.116 10 30 CGEERN CC[C@H](CC#N)OC(=O)/C=C(/C)c1ccc(F)cc1 ZINC000588558128 799711604 /nfs/dbraw/zinc/71/16/04/799711604.db2.gz UIIIUKOLXHXSIR-IWMPZKFUSA-N 0 0 261.296 3.464 10 30 CGEERN Cc1ccc(C(=O)/C=C\c2ccc3c(c2)sc(=O)n3C)o1 ZINC000588590239 799717945 /nfs/dbraw/zinc/71/79/45/799717945.db2.gz TUOIWHQUJMCLIE-ALCCZGGFSA-N 0 0 299.351 3.398 10 30 CGEERN CCOP(=O)(Cc1ccccc1C#N)OCC ZINC000034101063 344937998 /nfs/dbraw/zinc/93/79/98/344937998.db2.gz YDFXKRLGZYFXOE-UHFFFAOYSA-N 0 0 253.238 3.324 10 30 CGEERN Cc1noc(C)c1-c1noc([C@@]2(C#N)CC23CCCC3)n1 ZINC000333223494 282378635 /nfs/dbraw/zinc/37/86/35/282378635.db2.gz MRMQQGDIPBMGLF-HNNXBMFYSA-N 0 0 284.319 3.067 10 30 CGEERN CC[C@@H](C#N)C(=O)c1ccc(Br)c(F)c1 ZINC000043577170 345000828 /nfs/dbraw/zinc/00/08/28/345000828.db2.gz ISKZJEJTQXMJJA-ZETCQYMHSA-N 0 0 270.101 3.321 10 30 CGEERN CC[C@@H](CC#N)n1nc(C)c(Br)c1C ZINC000050593198 345084023 /nfs/dbraw/zinc/08/40/23/345084023.db2.gz JLOMHKCJVMIUBS-VIFPVBQESA-N 0 0 256.147 3.127 10 30 CGEERN CC(=O)c1cc(C(=O)c2ccccc2)n2ccc(C#N)cc12 ZINC000048522989 345067456 /nfs/dbraw/zinc/06/74/56/345067456.db2.gz WXKBIYARCXCYGU-UHFFFAOYSA-N 0 0 288.306 3.245 10 30 CGEERN C=CCOc1ccc(C(=O)N[C@H](C)C(C)C)cc1OC ZINC000053495436 345122201 /nfs/dbraw/zinc/12/22/01/345122201.db2.gz NQYTVEHFONOXJL-GFCCVEGCSA-N 0 0 277.364 3.034 10 30 CGEERN N#Cc1cc(Cl)ccc1NCC[C@@H]1CCCO1 ZINC000052857531 345108540 /nfs/dbraw/zinc/10/85/40/345108540.db2.gz CBIJFQHTKBYFFP-LBPRGKRZSA-N 0 0 250.729 3.193 10 30 CGEERN C=C(C)CN(CC)Cc1nc(-c2cccc(OC)c2)no1 ZINC000066560075 345300363 /nfs/dbraw/zinc/30/03/63/345300363.db2.gz RDCYMXMKKNCROJ-UHFFFAOYSA-N 0 0 287.363 3.143 10 30 CGEERN Cc1csc(CN(C)c2ccc(F)cc2C#N)n1 ZINC000078291824 345598206 /nfs/dbraw/zinc/59/82/06/345598206.db2.gz FCIMVUFRYNMVHF-UHFFFAOYSA-N 0 0 261.325 3.099 10 30 CGEERN N#Cc1nc(N2C[C@H]3CC=CC[C@@H]3C2)ccc1Cl ZINC000078371215 345604365 /nfs/dbraw/zinc/60/43/65/345604365.db2.gz UTEJFOSKICFNCU-GHMZBOCLSA-N 0 0 259.740 3.009 10 30 CGEERN C[C@@H](C=O)CCc1cc(F)ccc1Br ZINC000082762837 345723882 /nfs/dbraw/zinc/72/38/82/345723882.db2.gz CSJIKTIAPWJGIT-MRVPVSSYSA-N 0 0 259.118 3.356 10 30 CGEERN CCCN(c1ccc(C#N)c([N+](=O)[O-])c1)[C@@H](C)CC ZINC000090448177 345788178 /nfs/dbraw/zinc/78/81/78/345788178.db2.gz YPVIQRWDRCTFJB-NSHDSACASA-N 0 0 261.325 3.481 10 30 CGEERN C=C(C)C1=NC(c2ccccc2)(c2ccccc2)C(=O)O1 ZINC000113988927 345963135 /nfs/dbraw/zinc/96/31/35/345963135.db2.gz HIPFXTMAGCIYHP-UHFFFAOYSA-N 0 0 277.323 3.462 10 30 CGEERN C=CCOC(=O)c1ccc(-c2ccc(O)cc2)cc1 ZINC000116839893 345979669 /nfs/dbraw/zinc/97/96/69/345979669.db2.gz SWPUMAQRPDXGDW-UHFFFAOYSA-N 0 0 254.285 3.402 10 30 CGEERN Cc1cc(-c2cncc(F)c2[C@@H](C)O)ccc1C#N ZINC000117052653 345981117 /nfs/dbraw/zinc/98/11/17/345981117.db2.gz AVSFJTVGWZGTMV-SNVBAGLBSA-N 0 0 256.280 3.121 10 30 CGEERN N#CC1(Br)CCC(C(F)(F)F)CC1 ZINC000127684263 346034100 /nfs/dbraw/zinc/03/41/00/346034100.db2.gz OSAPEZSRYFQOJS-UHFFFAOYSA-N 0 0 256.065 3.396 10 30 CGEERN CCOc1ccc([C@H](O)C#Cc2ccc(F)cc2)cc1 ZINC000139026332 346098560 /nfs/dbraw/zinc/09/85/60/346098560.db2.gz TWUMPEVEILZAGY-QGZVFWFLSA-N 0 0 270.303 3.310 10 30 CGEERN CC[C@@H](C#N)Nc1cccc(C)c1Br ZINC000131615069 346066586 /nfs/dbraw/zinc/06/65/86/346066586.db2.gz JXCOKQGTGHNBPY-VIFPVBQESA-N 0 0 253.143 3.472 10 30 CGEERN COc1ccc(O)c(C(=O)/C=C/C#Cc2ccccc2)c1 ZINC000144173229 346117155 /nfs/dbraw/zinc/11/71/55/346117155.db2.gz MJLJPNPXMRVDHJ-UXBLZVDNSA-N 0 0 278.307 3.191 10 30 CGEERN C=CC[C@@H](C)Nc1ccc(Br)cc1N ZINC000162509462 346178792 /nfs/dbraw/zinc/17/87/92/346178792.db2.gz OITSAIGDLACZJX-MRVPVSSYSA-N 0 0 255.159 3.408 10 30 CGEERN CC#CC[C@@H](O)c1c(F)cccc1Br ZINC000165105352 346183992 /nfs/dbraw/zinc/18/39/92/346183992.db2.gz DTCIENNSASGOQX-SNVBAGLBSA-N 0 0 257.102 3.035 10 30 CGEERN C=C(Cl)CNc1ccc(Br)cc1N ZINC000168170764 346189661 /nfs/dbraw/zinc/18/96/61/346189661.db2.gz VLWFXZGMUDFDSU-UHFFFAOYSA-N 0 0 261.550 3.196 10 30 CGEERN CC(C)N(C)c1ccc(C#N)cc1Br ZINC000169185820 346192192 /nfs/dbraw/zinc/19/21/92/346192192.db2.gz QIIIZFIWRIQYRC-UHFFFAOYSA-N 0 0 253.143 3.165 10 30 CGEERN CCN[C@@H](C#N)c1ccc(Br)c(Cl)c1 ZINC000233548777 346329532 /nfs/dbraw/zinc/32/95/32/346329532.db2.gz ZWPQCHUNGJBAIB-JTQLQIEISA-N 0 0 273.561 3.277 10 30 CGEERN CC[C@H](C#N)[C@H](O)c1sccc1Br ZINC000228024326 346312420 /nfs/dbraw/zinc/31/24/20/346312420.db2.gz CADZIEJVZIWQFF-SVRRBLITSA-N 0 0 260.156 3.094 10 30 CGEERN O=C1C=CO[C@H](c2sccc2Br)C1 ZINC000228022640 346312651 /nfs/dbraw/zinc/31/26/51/346312651.db2.gz VVIKTBRMLSLQNH-QMMMGPOBSA-N 0 0 259.124 3.055 10 30 CGEERN C#C[C@@H](CCC)Nc1cccc(Br)n1 ZINC000230021812 346319071 /nfs/dbraw/zinc/31/90/71/346319071.db2.gz JNHHERRNXBRNHO-VIFPVBQESA-N 0 0 253.143 3.058 10 30 CGEERN N#Cc1cccc(-c2cncc(Br)c2)c1 ZINC000237974272 346348333 /nfs/dbraw/zinc/34/83/33/346348333.db2.gz PLLHOMZLIJUMHE-UHFFFAOYSA-N 0 0 259.106 3.383 10 30 CGEERN C#CCC(=O)Nc1cc(Br)ccc1Cl ZINC000236032692 346338876 /nfs/dbraw/zinc/33/88/76/346338876.db2.gz HWIWMSTYNGADBO-UHFFFAOYSA-N 0 0 272.529 3.064 10 30 CGEERN N#C[C@]1(Cc2coc(Br)c2)CCCS1 ZINC000307251123 346460795 /nfs/dbraw/zinc/46/07/95/346460795.db2.gz QFQRGOGZOCCKCM-SNVBAGLBSA-N 0 0 272.167 3.374 10 30 CGEERN N#C[C@H](c1cncs1)[C@@H](CCO)c1cc(F)ccc1F ZINC000584639342 346702284 /nfs/dbraw/zinc/70/22/84/346702284.db2.gz RGPIUFFMDBXXSN-JQWIXIFHSA-N 0 0 294.326 3.195 10 30 CGEERN N#Cc1cccc(Oc2ccc(NN)c(Cl)c2)c1 ZINC000584598922 346689246 /nfs/dbraw/zinc/68/92/46/346689246.db2.gz XOUOEIFZZIARMO-UHFFFAOYSA-N 0 0 259.696 3.290 10 30 CGEERN O=C1/C(=C/c2ccccc2)N2C[C@H]3CCC[C@H]2C[C@@H]13 ZINC000584616562 346693622 /nfs/dbraw/zinc/69/36/22/346693622.db2.gz BOMJZAGEOHQTLN-DXMMMGMNSA-N 0 0 253.345 3.101 10 30 CGEERN CC[C@]1(c2ccc(-c3ccccc3)cc2)O[C@@H](O)C=CC1=O ZINC000584625195 346697388 /nfs/dbraw/zinc/69/73/88/346697388.db2.gz HTKUNVMIHFESPC-RTBURBONSA-N 0 0 294.350 3.433 10 30 CGEERN N#C[C@H](c1cccnc1)[C@H](CCO)c1cc(F)ccc1F ZINC000584633307 346699739 /nfs/dbraw/zinc/69/97/39/346699739.db2.gz AUSHARRXHMNSGD-UKRRQHHQSA-N 0 0 288.297 3.133 10 30 CGEERN Cc1cc(OC(F)F)c(C#N)c(OCc2ccccc2)n1 ZINC000584633565 346699800 /nfs/dbraw/zinc/69/98/00/346699800.db2.gz SSWXTWJOISIJHX-UHFFFAOYSA-N 0 0 290.269 3.442 10 30 CGEERN C=C(Br)[C@H]1CN=C(c2ccc(Cl)cc2)O1 ZINC000584637049 346700827 /nfs/dbraw/zinc/70/08/27/346700827.db2.gz NMWKASBRVGPWHO-SNVBAGLBSA-N 0 0 286.556 3.394 10 30 CGEERN CC(=O)C1=CN(Cc2ccccc2)C=C[C@]1(C)C#N ZINC000584636881 346701037 /nfs/dbraw/zinc/70/10/37/346701037.db2.gz WWGWRJSVAVSINS-MRXNPFEDSA-N 0 0 252.317 3.019 10 30 CGEERN C[C@@H](Nc1ccc(C#N)cc1Br)[C@@H]1CCCO1 ZINC000123948014 187115849 /nfs/dbraw/zinc/11/58/49/187115849.db2.gz PUXUYWLFBFKZLE-RNCFNFMXSA-N 0 0 295.180 3.300 10 30 CGEERN CC(C)CC[C@H](C)Nc1cnn(-c2ncccc2C#N)c1 ZINC000186002485 138438898 /nfs/dbraw/zinc/43/88/98/138438898.db2.gz PXHIDQZOSBIGIS-ZDUSSCGKSA-N 0 0 283.379 3.376 10 30 CGEERN Cn1cc([C@H]2CCCN2c2cccc(Cl)c2C#N)cn1 ZINC000297034793 200067608 /nfs/dbraw/zinc/06/76/08/200067608.db2.gz HOQMFDGIZBZBBU-CQSZACIVSA-N 0 0 286.766 3.287 10 30 CGEERN CCS[C@@H]1CC[C@]1(O)CNc1ccc(Cl)cc1C#N ZINC000301495794 201030704 /nfs/dbraw/zinc/03/07/04/201030704.db2.gz SUUKTHLKNZRQHB-KGLIPLIRSA-N 0 0 296.823 3.270 10 30 CGEERN Cc1cc(NCCOCc2ccccc2)c(C#N)c(C)n1 ZINC000301756496 201179626 /nfs/dbraw/zinc/17/96/26/201179626.db2.gz DSAUZKKSZUMGEM-UHFFFAOYSA-N 0 0 281.359 3.199 10 30 CGEERN Cc1cc(Nc2ccc3c(c2)N(C)CC3)c(C#N)c(C)n1 ZINC000301990668 201290321 /nfs/dbraw/zinc/29/03/21/201290321.db2.gz FSMAFXKLJGXJGF-UHFFFAOYSA-N 0 0 278.359 3.306 10 30 CGEERN CC(C)Sc1ncc(Br)cc1C#N ZINC000211560937 189688041 /nfs/dbraw/zinc/68/80/41/189688041.db2.gz DWVKCSYKUOZJIP-UHFFFAOYSA-N 0 0 257.156 3.216 10 30 CGEERN Cc1cc(NCc2cccc(F)c2)c(C#N)c(C)n1 ZINC000211679070 189688294 /nfs/dbraw/zinc/68/82/94/189688294.db2.gz QQGGCEBOIWIYML-UHFFFAOYSA-N 0 0 255.296 3.321 10 30 CGEERN CCOC(=O)c1ccc(CNc2ccc(C)c(C#N)n2)cc1 ZINC000302669763 201502910 /nfs/dbraw/zinc/50/29/10/201502910.db2.gz RDUVPZORESOJBB-UHFFFAOYSA-N 0 0 295.342 3.051 10 30 CGEERN CCC[C@@]1(COC)CCCN1c1ccc(Cl)c(C#N)n1 ZINC000302816064 201563558 /nfs/dbraw/zinc/56/35/58/201563558.db2.gz IGSMPALXLQFDCK-HNNXBMFYSA-N 0 0 293.798 3.392 10 30 CGEERN CCc1ccccc1NN=C(C)c1ccc(O)c(O)c1O ZINC000003909082 368524333 /nfs/dbraw/zinc/52/43/33/368524333.db2.gz NAEAEBWXJKTISS-YVLHZVERSA-N 0 0 286.331 3.202 10 30 CGEERN C=C[C@@H](CO)[C@H]1CCN2CCc3c4ccccc4[nH]c3[C@@H]2C1 ZINC000004097850 368529512 /nfs/dbraw/zinc/52/95/12/368529512.db2.gz RYMNVEAAYOFGCI-DEYYWGMASA-N 0 0 296.414 3.272 10 30 biogenic,in-vitro CGEERN S=C(N/N=C/C=C/c1ccccc1)N[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000004322306 368543245 /nfs/dbraw/zinc/54/32/45/368543245.db2.gz DVGSPFCAJAEAFV-OHHMZRGCSA-N 0 0 299.443 3.338 10 30 CGEERN C[C@](C#N)(Cc1ccc(O)cc1)c1ccc(O)cc1 ZINC000013470334 368654991 /nfs/dbraw/zinc/65/49/91/368654991.db2.gz GWZQYZICYXDPFF-MRXNPFEDSA-N 0 0 253.301 3.122 10 30 CGEERN C=CCOc1cc(OC)ccc1C(=O)N[C@H](C)C(C)C ZINC000124816958 370927364 /nfs/dbraw/zinc/92/73/64/370927364.db2.gz HPEMQTSTZIMNGA-GFCCVEGCSA-N 0 0 277.364 3.034 10 30 CGEERN COc1ccc(C(=O)/C=C/c2nc3ccccc3n2C)cc1 ZINC000026462767 368859915 /nfs/dbraw/zinc/85/99/15/368859915.db2.gz BULAWKNWDAFQPL-VAWYXSNFSA-N 0 0 292.338 3.478 10 30 CGEERN CCCCOc1ccc(CCCN(O)C(C)=O)cc1 ZINC000029565667 368896941 /nfs/dbraw/zinc/89/69/41/368896941.db2.gz MHWTZCUZHQXROW-UHFFFAOYSA-N 0 0 265.353 3.036 10 30 CGEERN CCN1CCC/C1=N\C(=O)Nc1cccc(Cl)c1 ZINC000033956580 368971098 /nfs/dbraw/zinc/97/10/98/368971098.db2.gz HHLZNCAJWUTDFB-FOWTUZBSSA-N 0 0 265.744 3.386 10 30 CGEERN Cc1cc(N[C@H](C)CC#N)ccc1Br ZINC000032107774 368924517 /nfs/dbraw/zinc/92/45/17/368924517.db2.gz QQDUGYVCZBVGFT-SECBINFHSA-N 0 0 253.143 3.472 10 30 CGEERN Cc1ccc(NC[C@@H](C)C#N)c(Br)c1 ZINC000032107778 368925033 /nfs/dbraw/zinc/92/50/33/368925033.db2.gz QSKUXQVUBSPVAW-VIFPVBQESA-N 0 0 253.143 3.329 10 30 CGEERN Cc1ccc(NC(=S)N/N=C\c2cccs2)cc1 ZINC000033329736 368961771 /nfs/dbraw/zinc/96/17/71/368961771.db2.gz XJKFVVWMXSYEFH-ZROIWOOFSA-N 0 0 275.402 3.377 10 30 CGEERN N#Cc1c(Cl)nccc1-c1ccc([N+](=O)[O-])cc1 ZINC000041346059 369183006 /nfs/dbraw/zinc/18/30/06/369183006.db2.gz VKHJSNRJOQKYPE-UHFFFAOYSA-N 0 0 259.652 3.182 10 30 CGEERN CCN(Cc1ccc2ccccc2n1)C[C@H](C)C#N ZINC000042449663 369221475 /nfs/dbraw/zinc/22/14/75/369221475.db2.gz NZXYUVDHGNSCML-CYBMUJFWSA-N 0 0 253.349 3.216 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1cccc2ccccc21 ZINC000061888865 369609741 /nfs/dbraw/zinc/60/97/41/369609741.db2.gz PRHCJOOQAWATFJ-XJKSGUPXSA-N 0 0 264.328 3.262 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NCc1c(F)cccc1Cl ZINC000061891372 369610865 /nfs/dbraw/zinc/61/08/65/369610865.db2.gz PSKCHBMLOXZOKU-TVQRCGJNSA-N 0 0 252.720 3.261 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NCc1ccc(OC(F)F)cc1 ZINC000061891054 369610949 /nfs/dbraw/zinc/61/09/49/369610949.db2.gz LFRZBQOJSQZSNZ-AAEUAGOBSA-N 0 0 266.291 3.070 10 30 CGEERN C[C@H](N[C@@H]1CCC[C@@H]1C#N)c1ccc(F)cc1F ZINC000061891212 369611220 /nfs/dbraw/zinc/61/12/20/369611220.db2.gz WQZQYVLKLZFARL-IMSIIYSGSA-N 0 0 250.292 3.308 10 30 CGEERN N#Cc1ccc(Cl)cc1NC(=O)Cc1cccs1 ZINC000070268692 369794371 /nfs/dbraw/zinc/79/43/71/369794371.db2.gz KSNMDQUAJPHJRM-UHFFFAOYSA-N 0 0 276.748 3.454 10 30 CGEERN N#CCN1CCCCc2cc(Br)ccc21 ZINC000092844059 370105134 /nfs/dbraw/zinc/10/51/34/370105134.db2.gz DDCRZZNGUXIOKC-UHFFFAOYSA-N 0 0 265.154 3.115 10 30 CGEERN CCCCCCCCCCCC(=O)NC[C@@H](C)O ZINC000100049059 370270341 /nfs/dbraw/zinc/27/03/41/370270341.db2.gz MMBILEWCGWTAOV-CQSZACIVSA-N 0 0 257.418 3.404 10 30 CGEERN N#CC1(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)CCCC1 ZINC000109086969 370360562 /nfs/dbraw/zinc/36/05/62/370360562.db2.gz IINJRKHFSGCIBL-NWDGAFQWSA-N 0 0 290.313 3.021 10 30 CGEERN CC[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(C#N)n2)C1 ZINC000233922594 189820453 /nfs/dbraw/zinc/82/04/53/189820453.db2.gz RURDXVRMWXEBBR-MNOVXSKESA-N 0 0 274.324 3.242 10 30 CGEERN C[C@@H](CC#N)N(C)C(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000137001726 371489708 /nfs/dbraw/zinc/48/97/08/371489708.db2.gz NSIUTZWFEZTKND-ZETCQYMHSA-N 0 0 287.146 3.073 10 30 CGEERN C[C@H]1OCC[C@@H]1Nc1ccc(C#N)cc1C(F)(F)F ZINC000147497189 371519838 /nfs/dbraw/zinc/51/98/38/371519838.db2.gz UTAGZZGJJOPXNG-KCJUWKMLSA-N 0 0 270.254 3.166 10 30 CGEERN C[C@@]12CN(C(=O)Nc3ccc(C#N)cc3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333379576 205273707 /nfs/dbraw/zinc/27/37/07/205273707.db2.gz AQYKZZPAMPNNQP-OAOQPFQOSA-N 0 0 295.386 3.458 10 30 CGEERN C=CCCCN(C)C(=O)N[C@@H](C)COCc1ccccc1 ZINC000174131429 373255884 /nfs/dbraw/zinc/25/58/84/373255884.db2.gz MDPKICCUFCNBRE-HNNXBMFYSA-N 0 0 290.407 3.199 10 30 CGEERN CCc1ncc(CN(C)c2ccc(F)cc2C#N)s1 ZINC000301390378 373770289 /nfs/dbraw/zinc/77/02/89/373770289.db2.gz GIOHXOUGCAGQGM-UHFFFAOYSA-N 0 0 275.352 3.353 10 30 CGEERN C[C@@]1(CO)CCC[C@H]1Nc1cc(C#N)nc2ccccc21 ZINC000301329027 373746399 /nfs/dbraw/zinc/74/63/99/373746399.db2.gz ADBSWVGLNPGQRE-SJORKVTESA-N 0 0 281.359 3.069 10 30 CGEERN Cn1c(Cl)c(Cl)cc1CNc1ccc(C#N)cn1 ZINC000301648720 373794279 /nfs/dbraw/zinc/79/42/79/373794279.db2.gz OWEXQWIZBJHWFA-UHFFFAOYSA-N 0 0 281.146 3.211 10 30 CGEERN Cc1ccc([C@@H]2CN(Cc3cccc(C#N)c3)CCO2)o1 ZINC000179512519 373883283 /nfs/dbraw/zinc/88/32/83/373883283.db2.gz IXNGGBBZJRZKFI-KRWDZBQOSA-N 0 0 282.343 3.033 10 30 CGEERN Cc1ccc(CN(C)c2nc3ccccn3c2C#N)cc1F ZINC000302734517 373945805 /nfs/dbraw/zinc/94/58/05/373945805.db2.gz VWVVFKYPEPJCHW-UHFFFAOYSA-N 0 0 294.333 3.290 10 30 CGEERN Cc1ccc(Oc2ccc([N+](=O)[O-])c(C#N)n2)cc1C ZINC000302756098 373954153 /nfs/dbraw/zinc/95/41/53/373954153.db2.gz WSDLDHQYYZWJGR-UHFFFAOYSA-N 0 0 269.260 3.271 10 30 CGEERN C[C@H]1CN(c2ccc3cc(C#N)ccc3n2)CCS1 ZINC000179907779 373938052 /nfs/dbraw/zinc/93/80/52/373938052.db2.gz YTWBOXLMGXGJTM-NSHDSACASA-N 0 0 269.373 3.048 10 30 CGEERN C[C@@]1(C=O)CC[C@@H](c2sccc2Br)O1 ZINC000307267272 374145745 /nfs/dbraw/zinc/14/57/45/374145745.db2.gz IDUFGFZIQOGRBZ-WPRPVWTQSA-N 0 0 275.167 3.320 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)c1cc2c(s1)CCCC2 ZINC000061889099 294840209 /nfs/dbraw/zinc/84/02/09/294840209.db2.gz WATGTYGYUNVAOR-VXGBXAGGSA-N 0 0 274.389 3.049 10 30 CGEERN Cc1nc2c(s1)CCC[C@@H]2CNC(=O)c1ncoc1C ZINC000328635195 374373134 /nfs/dbraw/zinc/37/31/34/374373134.db2.gz UQZXBBQFLXHRFG-SNVBAGLBSA-N 0 0 291.376 3.173 10 30 CGEERN C=C(C)C[C@@H](C)C(=O)N[C@H](CC(=O)OC)c1ccccc1 ZINC000185108245 374589960 /nfs/dbraw/zinc/58/99/60/374589960.db2.gz KIPCDSXDEJCBLY-UKRRQHHQSA-N 0 0 289.375 3.009 10 30 CGEERN N#Cc1cccnc1-n1cc(NC2CCCCCC2)cn1 ZINC000185844874 374750920 /nfs/dbraw/zinc/75/09/20/374750920.db2.gz GHXNSQGTXJWVAO-UHFFFAOYSA-N 0 0 281.363 3.274 10 30 CGEERN C=C(C)CS(=O)(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000189548481 375409764 /nfs/dbraw/zinc/40/97/64/375409764.db2.gz CRCMQQGXAQPNAJ-VIFPVBQESA-N 0 0 291.775 3.036 10 30 CGEERN N#Cc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1O ZINC000189781465 375446044 /nfs/dbraw/zinc/44/60/44/375446044.db2.gz ZSVUWVZWTLHIKR-INIZCTEOSA-N 0 0 292.338 3.071 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)c1ccc2sccc2c1 ZINC000336570095 375840246 /nfs/dbraw/zinc/84/02/46/375840246.db2.gz GPYMELBZKNSZFM-CHWSQXEVSA-N 0 0 270.357 3.323 10 30 CGEERN N#Cc1ccnc(NCCCCC(F)(F)F)c1[N+](=O)[O-] ZINC000228082785 376427054 /nfs/dbraw/zinc/42/70/54/376427054.db2.gz IPOMXIGFTDSFGG-UHFFFAOYSA-N 0 0 288.229 3.006 10 30 CGEERN CCC[C@H]1C[C@@H]1Nc1nnc(CC)c(CC)c1C#N ZINC000229734606 376469834 /nfs/dbraw/zinc/46/98/34/376469834.db2.gz QQFRVDQDGQHZHB-HZMBPMFUSA-N 0 0 258.369 3.074 10 30 CGEERN CCC1CCC(Nc2ncc(C#N)cc2[N+](=O)[O-])CC1 ZINC000232929964 376592041 /nfs/dbraw/zinc/59/20/41/376592041.db2.gz IFRQACCAAGTVPR-UHFFFAOYSA-N 0 0 274.324 3.242 10 30 CGEERN C[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C#N)n2)[C@@H](C)C1 ZINC000235325730 376636696 /nfs/dbraw/zinc/63/66/96/376636696.db2.gz IKUASIRBXSJGHG-VWYCJHECSA-N 0 0 274.324 3.098 10 30 CGEERN N#Cc1nc(NCc2ccccc2Cl)ccc1[N+](=O)[O-] ZINC000236036778 376658107 /nfs/dbraw/zinc/65/81/07/376658107.db2.gz SXHWWHAABMIFIT-UHFFFAOYSA-N 0 0 288.694 3.127 10 30 CGEERN Cc1[nH]c2ccccc2c1C=Nc1ccc(C(N)=O)cc1 ZINC000254479302 377707936 /nfs/dbraw/zinc/70/79/36/377707936.db2.gz QANDGCQQSJUULU-UHFFFAOYSA-N 0 0 277.327 3.326 10 30 CGEERN CCOC(=O)c1c(C#N)ccc(SC(F)(F)F)c1F ZINC000575390771 377900041 /nfs/dbraw/zinc/90/00/41/377900041.db2.gz ZODNLFVEGPKZCN-UHFFFAOYSA-N 0 0 293.241 3.486 10 30 CGEERN COC(=O)c1ccc(F)c(C#N)c1SC(F)(F)F ZINC000575390699 377900118 /nfs/dbraw/zinc/90/01/18/377900118.db2.gz RMPZYVVHZXKBFJ-UHFFFAOYSA-N 0 0 279.214 3.096 10 30 CGEERN COC(=O)c1cc(SC(F)(F)F)c(C#N)cc1F ZINC000575390580 377898135 /nfs/dbraw/zinc/89/81/35/377898135.db2.gz ABSLKSJLDZIUGU-UHFFFAOYSA-N 0 0 279.214 3.096 10 30 CGEERN CCOC(=O)c1cc(C#N)cc(C(F)F)c1CC ZINC000575389953 377898329 /nfs/dbraw/zinc/89/83/29/377898329.db2.gz WHWWFSPBERTLKX-UHFFFAOYSA-N 0 0 253.248 3.235 10 30 CGEERN CCOC(=O)c1cc(O)c(C#N)c(SC(F)(F)F)c1 ZINC000575392396 377900222 /nfs/dbraw/zinc/90/02/22/377900222.db2.gz YGTFMYXQNXFKGP-UHFFFAOYSA-N 0 0 291.250 3.052 10 30 CGEERN COC(=O)Cc1cc(SC(F)(F)F)c(C#N)cc1F ZINC000575390630 377898463 /nfs/dbraw/zinc/89/84/63/377898463.db2.gz IIJOTZYODYFRAV-UHFFFAOYSA-N 0 0 293.241 3.025 10 30 CGEERN N#Cc1c(C(F)(F)F)cc(CO)cc1C(F)(F)F ZINC000575341340 377881949 /nfs/dbraw/zinc/88/19/49/377881949.db2.gz UKPMEBJDFGDANT-UHFFFAOYSA-N 0 0 269.144 3.088 10 30 CGEERN COC(=O)c1cc(OC(F)(F)F)c(C(F)F)cc1C#N ZINC000575344146 377883849 /nfs/dbraw/zinc/88/38/49/377883849.db2.gz QPRKJVZVYUPPHQ-UHFFFAOYSA-N 0 0 295.163 3.181 10 30 CGEERN CCOC(=O)c1c(C#N)ccc(Cl)c1OC(F)(F)F ZINC000575382907 377892582 /nfs/dbraw/zinc/89/25/82/377892582.db2.gz QFWIWZNHGBJOQE-UHFFFAOYSA-N 0 0 293.628 3.287 10 30 CGEERN COC(=O)c1cc(Cl)cc(C(F)(F)F)c1C#N ZINC000575383275 377893715 /nfs/dbraw/zinc/89/37/15/377893715.db2.gz MRDJMAUAJMTTIU-UHFFFAOYSA-N 0 0 263.602 3.017 10 30 CGEERN CCOC(=O)c1cc(Cl)c(C(F)(F)F)cc1C#N ZINC000575383528 377894613 /nfs/dbraw/zinc/89/46/13/377894613.db2.gz YONQXXIAMPPUGG-UHFFFAOYSA-N 0 0 277.629 3.407 10 30 CGEERN CCOC(=O)c1c(C#N)cc(OC(F)F)cc1C(F)F ZINC000575385414 377895081 /nfs/dbraw/zinc/89/50/81/377895081.db2.gz PAKGMJVMJAWZHH-UHFFFAOYSA-N 0 0 291.200 3.274 10 30 CGEERN COC(=O)Cc1cc(C(F)F)cc(C#N)c1C(F)(F)F ZINC000575387947 377896319 /nfs/dbraw/zinc/89/63/19/377896319.db2.gz ZOSGPBLZQXEDEK-UHFFFAOYSA-N 0 0 293.191 3.230 10 30 CGEERN CCOC(=O)c1c(CC)ccc(C(F)(F)F)c1C#N ZINC000575389797 377897512 /nfs/dbraw/zinc/89/75/12/377897512.db2.gz OKSWKLPHLDKJLK-UHFFFAOYSA-N 0 0 271.238 3.316 10 30 CGEERN CC(C)(C)OC(=O)N[C@]1(C#N)CCCC12CCC2 ZINC000575497008 377916662 /nfs/dbraw/zinc/91/66/62/377916662.db2.gz RGBKXXOJIPLASO-AWEZNQCLSA-N 0 0 250.342 3.128 10 30 CGEERN CCOc1cc(CC#N)cc(C#N)c1C(F)(F)F ZINC000575642482 377926349 /nfs/dbraw/zinc/92/63/49/377926349.db2.gz BSHLHXPYQQXFDP-UHFFFAOYSA-N 0 0 254.211 3.042 10 30 CGEERN CCOc1cc(CC#N)c(CC)cc1OC(F)F ZINC000575655022 377932475 /nfs/dbraw/zinc/93/24/75/377932475.db2.gz GUJMDNVDKNHIPY-UHFFFAOYSA-N 0 0 255.264 3.315 10 30 CGEERN CCOc1ccc(OC(F)F)c(CC)c1CC#N ZINC000575655184 377933037 /nfs/dbraw/zinc/93/30/37/377933037.db2.gz JQQBXEZQBUWABX-UHFFFAOYSA-N 0 0 255.264 3.315 10 30 CGEERN N#Cc1cc(OC(F)F)cc(C(F)(F)F)c1F ZINC000575660507 377937253 /nfs/dbraw/zinc/93/72/53/377937253.db2.gz QPAYDHFJQJOMCH-UHFFFAOYSA-N 0 0 255.117 3.318 10 30 CGEERN N#CCc1cc(OC(F)F)c(O)cc1C(F)(F)F ZINC000575661564 377938345 /nfs/dbraw/zinc/93/83/45/377938345.db2.gz JGANGCBGIOZAMQ-UHFFFAOYSA-N 0 0 267.153 3.078 10 30 CGEERN N#CCc1ccc(C(F)(F)F)c(OC(F)F)c1[N+](=O)[O-] ZINC000575665442 377941765 /nfs/dbraw/zinc/94/17/65/377941765.db2.gz FEQKQCJAADQNGO-UHFFFAOYSA-N 0 0 296.151 3.281 10 30 CGEERN CCOc1ccc(C#N)c(OC(F)(F)F)c1CC ZINC000575672099 377948625 /nfs/dbraw/zinc/94/86/25/377948625.db2.gz VMKRSMNEJCUWKX-UHFFFAOYSA-N 0 0 259.227 3.418 10 30 CGEERN N#CCc1cc(Br)c(Cl)c([N+](=O)[O-])c1 ZINC000575677900 377952647 /nfs/dbraw/zinc/95/26/47/377952647.db2.gz NBWQPHAQDUGBIE-UHFFFAOYSA-N 0 0 275.489 3.077 10 30 CGEERN N#CCc1ccc(Br)c(OC(F)F)c1F ZINC000575680073 377953996 /nfs/dbraw/zinc/95/39/96/377953996.db2.gz JULKZLKKZDWPTM-UHFFFAOYSA-N 0 0 280.043 3.256 10 30 CGEERN COC(=O)c1cc(SC(F)(F)F)cc(C#N)c1C ZINC000575395287 377902241 /nfs/dbraw/zinc/90/22/41/377902241.db2.gz WPCIXTQJIGPEAX-UHFFFAOYSA-N 0 0 275.251 3.265 10 30 CGEERN COC(=O)c1cc(SC(F)(F)F)c(C)cc1C#N ZINC000575394403 377902244 /nfs/dbraw/zinc/90/22/44/377902244.db2.gz GZGXUSGDEOTAJH-UHFFFAOYSA-N 0 0 275.251 3.265 10 30 CGEERN Nc1cc(OC(F)(F)F)cc(C(F)(F)F)c1F ZINC000575397406 377905027 /nfs/dbraw/zinc/90/50/27/377905027.db2.gz ZWAJJHICHJESQQ-UHFFFAOYSA-N 0 0 263.112 3.325 10 30 CGEERN C[C@H]1CC(C)(C)C[C@]1(C#N)NC(=O)OC(C)(C)C ZINC000575496054 377915198 /nfs/dbraw/zinc/91/51/98/377915198.db2.gz CZRSMRYCBRTRFE-IINYFYTJSA-N 0 0 252.358 3.230 10 30 CGEERN Cc1ccc(C#N)c(Br)c1OC(F)F ZINC000575684461 377959214 /nfs/dbraw/zinc/95/92/14/377959214.db2.gz VRLGGTYCNADLMI-UHFFFAOYSA-N 0 0 262.053 3.231 10 30 CGEERN N#Cc1cc(F)cc(Br)c1OC(F)(F)F ZINC000575689433 377964153 /nfs/dbraw/zinc/96/41/53/377964153.db2.gz KNDRJBRGUHPLHE-UHFFFAOYSA-N 0 0 284.006 3.358 10 30 CGEERN CCc1cc(CC#N)c(OC)c(OC(F)(F)F)c1 ZINC000575702599 377976155 /nfs/dbraw/zinc/97/61/55/377976155.db2.gz GUSKCUPXVWPPDC-UHFFFAOYSA-N 0 0 259.227 3.222 10 30 CGEERN CCc1cc(CC#N)cc(C=O)c1OC(F)(F)F ZINC000575703254 377977201 /nfs/dbraw/zinc/97/72/01/377977201.db2.gz UDMMMIUPKXGVDY-UHFFFAOYSA-N 0 0 257.211 3.026 10 30 CGEERN C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C(=O)N2CCC(C#N)CC2)o1 ZINC000407964168 379987875 /nfs/dbraw/zinc/98/78/75/379987875.db2.gz SCSBODAXVUQPCQ-UQOMUDLDSA-N 0 0 298.386 3.269 10 30 CGEERN COc1ccc([C@H](C)C(=O)N[C@@H]2CCc3c[nH]nc3C2)cc1 ZINC000329882592 533148382 /nfs/dbraw/zinc/14/83/82/533148382.db2.gz QCBIGKHCPKGXBG-SMDDNHRTSA-N 0 0 299.374 3.036 10 30 CGEERN CC(C)c1scnc1NC(=O)N[C@H]1CCC[C@H]1C#N ZINC000332870826 542450746 /nfs/dbraw/zinc/45/07/46/542450746.db2.gz ONBLFHHARYXWLV-UWVGGRQHSA-N 0 0 278.381 3.080 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)NCCC1=CCCCCC1 ZINC000332913663 542451534 /nfs/dbraw/zinc/45/15/34/542451534.db2.gz OGVPLDNLPGCFIT-HUUCEWRRSA-N 0 0 275.396 3.258 10 30 CGEERN C[C@@H](CC1CC1)NC(=O)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000330076884 533499638 /nfs/dbraw/zinc/49/96/38/533499638.db2.gz DYYIHFZFXIMOQF-TUKIKUTGSA-N 0 0 274.364 3.304 10 30 CGEERN C=C(CC)CC(=O)[C@H](C)NC(=O)OCc1ccccc1 ZINC000406088318 542628144 /nfs/dbraw/zinc/62/81/44/542628144.db2.gz DQXIKHDCEJDIRU-ZDUSSCGKSA-N 0 0 275.348 3.227 10 30 CGEERN CC(C)c1ccc([C@H]2C[C@H]2C(=O)N=C2NCCS2)cc1 ZINC000095755645 392244023 /nfs/dbraw/zinc/24/40/23/392244023.db2.gz OZTVENAPWSHGCD-ZIAGYGMSSA-N 0 0 288.416 3.133 10 30 CGEERN C[C@H](CC(=O)NC1(C#N)CCCCC1)C(C)(C)C ZINC000111617682 392381770 /nfs/dbraw/zinc/38/17/70/392381770.db2.gz ZQWDWNJPVUVIDA-GFCCVEGCSA-N 0 0 250.386 3.401 10 30 CGEERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)Oc1ccc(C#N)cc1F ZINC000158118715 392556756 /nfs/dbraw/zinc/55/67/56/392556756.db2.gz FTIWDBKEGCCMPM-HWPZZCPQSA-N 0 0 297.285 3.167 10 30 CGEERN C=C(C)CN(C)c1nccc(Oc2ccc(F)cc2)n1 ZINC000302070933 392608970 /nfs/dbraw/zinc/60/89/70/392608970.db2.gz VSBSQDFOJZCHAN-UHFFFAOYSA-N 0 0 273.311 3.420 10 30 CGEERN C=CC[C@@](CC)(CO)[C@H](C)OC(=O)c1ccccc1 ZINC000584615177 393205559 /nfs/dbraw/zinc/20/55/59/393205559.db2.gz RSLGHZFRSVXRSS-BBRMVZONSA-N 0 0 262.349 3.197 10 30 CGEERN Cc1cccc2c1c(C#CCO)cn2C(=O)OC(C)(C)C ZINC000669383885 543103854 /nfs/dbraw/zinc/10/38/54/543103854.db2.gz ZWWPACQTUUJAKA-UHFFFAOYSA-N 0 0 285.343 3.077 10 30 CGEERN CC(=O)C1=Cc2cc(Br)cc(C)c2OC1 ZINC000675063238 543312399 /nfs/dbraw/zinc/31/23/99/543312399.db2.gz ADLNSBDRUIHUGL-UHFFFAOYSA-N 0 0 267.122 3.122 10 30 CGEERN N#Cc1ccc(C(=O)Nc2ccc3c(c2)CCCN3)cc1 ZINC000071214765 165069052 /nfs/dbraw/zinc/06/90/52/165069052.db2.gz NEXVHAPLKDCNSM-UHFFFAOYSA-N 0 0 277.327 3.169 10 30 CGEERN N#Cc1ccc(CN2CCC[C@H](O)c3ccccc32)cc1 ZINC000168585247 165499788 /nfs/dbraw/zinc/49/97/88/165499788.db2.gz HJTKFDXXNWYADG-SFHVURJKSA-N 0 0 278.355 3.392 10 30 CGEERN S=C(N/N=C/C=C/c1ccccc1)N[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000004322239 169957537 /nfs/dbraw/zinc/95/75/37/169957537.db2.gz YOONQWDZLCUVFZ-OHWTZEBNSA-N 0 0 297.427 3.114 10 30 CGEERN C=C[C@@H]([C@@H](O)c1ccc(C)cc1)n1nnc2ccccc21 ZINC000005416291 170096596 /nfs/dbraw/zinc/09/65/96/170096596.db2.gz VKCVSTIYYRKGRJ-RDJZCZTQSA-N 0 0 279.343 3.200 10 30 CGEERN COC(=O)c1ccccc1/N=C\c1ccc(OC)cc1 ZINC000005733169 170135093 /nfs/dbraw/zinc/13/50/93/170135093.db2.gz VYSXJKIBCGUXTM-BOPFTXTBSA-N 0 0 269.300 3.232 10 30 CGEERN O=[N+]([O-])c1ccc(C=NN=c2[nH]c3ccccc3o2)s1 ZINC000005777947 170139652 /nfs/dbraw/zinc/13/96/52/170139652.db2.gz NRKGPMBSYOVNOR-NTUHNPAUSA-N 0 0 288.288 3.244 10 30 CGEERN COc1ccc([C@@H](C#N)C(=O)c2ccccc2)cc1 ZINC000006457779 170202883 /nfs/dbraw/zinc/20/28/83/170202883.db2.gz HZJOHONJTJFMRU-OAHLLOKOSA-N 0 0 251.285 3.185 10 30 CGEERN COC(=O)c1ccc(C=NNc2ccc(C)cc2)cc1 ZINC000007931078 170308434 /nfs/dbraw/zinc/30/84/34/170308434.db2.gz RLZUAPPXFWJHQN-GZTJUZNOSA-N 0 0 268.316 3.228 10 30 CGEERN C=CCNC(=S)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000008554560 170340106 /nfs/dbraw/zinc/34/01/06/170340106.db2.gz HJRPVXJNLGPSCY-UHFFFAOYSA-N 0 0 296.395 3.144 10 30 CGEERN SCCOc1ccc(Cl)cc1Br ZINC000019478154 170808699 /nfs/dbraw/zinc/80/86/99/170808699.db2.gz HWJICKFZOBFVFP-UHFFFAOYSA-N 0 0 267.575 3.411 10 30 CGEERN N#CCCN(Cc1cccnc1)c1c(N)cccc1Cl ZINC000019812233 170879704 /nfs/dbraw/zinc/87/97/04/170879704.db2.gz UIKUZHMNOCJRSP-UHFFFAOYSA-N 0 0 286.766 3.237 10 30 CGEERN N#CCCN(C(=O)c1ccc(Cl)c(N)c1)c1ccccc1 ZINC000019833368 170883354 /nfs/dbraw/zinc/88/33/54/170883354.db2.gz ZPCGFTJOQUYVME-UHFFFAOYSA-N 0 0 299.761 3.483 10 30 CGEERN C=CCn1c(COC)nnc1SC1CCCCC1 ZINC000020426287 171192677 /nfs/dbraw/zinc/19/26/77/171192677.db2.gz UQPMQZGXRJDRTR-UHFFFAOYSA-N 0 0 267.398 3.035 10 30 CGEERN N#CCCN(c1ccccc1)c1ccc(N)cc1F ZINC000020474818 171219466 /nfs/dbraw/zinc/21/94/66/171219466.db2.gz BEMZSQUQPJRWOS-UHFFFAOYSA-N 0 0 255.296 3.460 10 30 CGEERN COc1cccc(C(C)=NNc2ccc([N+](=O)[O-])cc2)c1 ZINC000020754389 171271660 /nfs/dbraw/zinc/27/16/60/171271660.db2.gz TVGYDFACSQOVGU-LFIBNONCSA-N 0 0 285.303 3.440 10 30 CGEERN N#Cc1ccccc1NC(=O)c1cc(Cl)ccc1N ZINC000022211982 171373996 /nfs/dbraw/zinc/37/39/96/171373996.db2.gz QRGGXFCMDYPHMF-UHFFFAOYSA-N 0 0 271.707 3.046 10 30 CGEERN Cc1ccc(NC[C@@H](C)C#N)cc1Br ZINC000032107776 171699563 /nfs/dbraw/zinc/69/95/63/171699563.db2.gz JSWGRSCEFGYZGC-QMMMGPOBSA-N 0 0 253.143 3.329 10 30 CGEERN C[C@@H](O)c1cccc(OCc2ccc(C#N)cc2F)c1 ZINC000035199452 172044430 /nfs/dbraw/zinc/04/44/30/172044430.db2.gz HYYPVYJRADKTIH-LLVKDONJSA-N 0 0 271.291 3.330 10 30 CGEERN N#Cc1cccnc1Sc1ccccc1[N+](=O)[O-] ZINC000035286686 172104219 /nfs/dbraw/zinc/10/42/19/172104219.db2.gz MKWNDVXCXDTKIE-UHFFFAOYSA-N 0 0 257.274 3.013 10 30 CGEERN COc1ccc(NC2=NC[C@H](C)S2)cc1Cl ZINC000035294422 172106147 /nfs/dbraw/zinc/10/61/47/172106147.db2.gz YQRAKTFPLBAXKT-ZETCQYMHSA-N 0 0 256.758 3.061 10 30 CGEERN Cc1n[nH]c(=S)n1N=Cc1ccccc1C(F)(F)F ZINC000035506765 172239276 /nfs/dbraw/zinc/23/92/76/172239276.db2.gz YKFJRCVWKYQOLG-UUASQNMZSA-N 0 0 286.282 3.150 10 30 CGEERN C#CCOc1ccccc1CNc1cccnc1Cl ZINC000036982504 172849627 /nfs/dbraw/zinc/84/96/27/172849627.db2.gz ZZXPBMCVTSDJJG-UHFFFAOYSA-N 0 0 272.735 3.359 10 30 CGEERN Cc1nn(C)c(C)c1[C@H](C#N)Nc1cccc(C)c1 ZINC000037936875 173877585 /nfs/dbraw/zinc/87/75/85/173877585.db2.gz YCOALNIGACAOQO-AWEZNQCLSA-N 0 0 254.337 3.022 10 30 CGEERN COc1ccc([C@@H](C#N)NCc2cccs2)cc1 ZINC000037939693 173879515 /nfs/dbraw/zinc/87/95/15/173879515.db2.gz DTPBHQLFSFYCTQ-CQSZACIVSA-N 0 0 258.346 3.111 10 30 CGEERN COc1ccc([C@H](C#N)NC(C)C)cc1Br ZINC000038052196 174063338 /nfs/dbraw/zinc/06/33/38/174063338.db2.gz JCLLQUGUOBGVMP-NSHDSACASA-N 0 0 283.169 3.020 10 30 CGEERN CC[C@H](C)N[C@](C)(C#N)CCc1ccc(OC)cc1 ZINC000038064543 174075233 /nfs/dbraw/zinc/07/52/33/174075233.db2.gz MBVDUMWCVQBGMT-BBRMVZONSA-N 0 0 260.381 3.298 10 30 CGEERN CC[C@@H](C)N[C@H](C#N)c1cc(Br)ccc1OC ZINC000038064436 174075309 /nfs/dbraw/zinc/07/53/09/174075309.db2.gz ZKDFROQMPVBMGA-BXKDBHETSA-N 0 0 297.196 3.410 10 30 CGEERN CCCOc1ccc2ccccc2c1C#CCCO ZINC000038077834 174088160 /nfs/dbraw/zinc/08/81/60/174088160.db2.gz ZOBWSZUEBIFUDJ-UHFFFAOYSA-N 0 0 254.329 3.363 10 30 CGEERN CN(C)c1ccc([C@H](C#N)N2CCCCCC2)cc1 ZINC000038086163 174096870 /nfs/dbraw/zinc/09/68/70/174096870.db2.gz CNCANWQBAHXRHC-INIZCTEOSA-N 0 0 257.381 3.193 10 30 CGEERN N#C[C@H](c1ccc(Br)cc1)c1ccccn1 ZINC000038643431 174150509 /nfs/dbraw/zinc/15/05/09/174150509.db2.gz PMKCUNAECONNCQ-GFCCVEGCSA-N 0 0 273.133 3.500 10 30 CGEERN C[C@]1(O)CC(=O)C=C(c2cccc(Cl)c2Cl)C1 ZINC000040174972 174201078 /nfs/dbraw/zinc/20/10/78/174201078.db2.gz IZPPLQQYYVIHMA-CYBMUJFWSA-N 0 0 271.143 3.491 10 30 CGEERN N#C[C@H](NC(=O)CCc1ccccc1)c1ccccc1 ZINC000040215148 174204349 /nfs/dbraw/zinc/20/43/49/174204349.db2.gz LVDVXWGIQSOAOL-INIZCTEOSA-N 0 0 264.328 3.000 10 30 CGEERN N#C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC000040215126 174204472 /nfs/dbraw/zinc/20/44/72/174204472.db2.gz ZDVDTRKJQKOHEW-CQSZACIVSA-N 0 0 270.719 3.335 10 30 CGEERN Cc1ccc(/C(N)=N/O)c(Oc2ccc(C(C)C)cc2)n1 ZINC000043400496 175036686 /nfs/dbraw/zinc/03/66/86/175036686.db2.gz DKFPNOCVMFEJJC-UHFFFAOYSA-N 0 0 285.347 3.400 10 30 CGEERN CCCSCc1cc(C#CCCO)ccc1OC ZINC000049622427 175495487 /nfs/dbraw/zinc/49/54/87/175495487.db2.gz ADEPTIDASGIRKI-UHFFFAOYSA-N 0 0 264.390 3.072 10 30 CGEERN Cc1csc(SCc2cccc(C#CCO)c2)n1 ZINC000049623073 175495683 /nfs/dbraw/zinc/49/56/83/175495683.db2.gz OIAHATDPBRQNKU-UHFFFAOYSA-N 0 0 275.398 3.088 10 30 CGEERN N#Cc1cccc(Cn2c(=S)[nH]c3cccnc32)c1 ZINC000075954426 176844623 /nfs/dbraw/zinc/84/46/23/176844623.db2.gz PRMYCMKUMUUHOT-UHFFFAOYSA-N 0 0 266.329 3.014 10 30 CGEERN Cc1csc2nc(C)nc(N[C@@H]3CCC[C@H]3C#N)c12 ZINC000407960444 260076254 /nfs/dbraw/zinc/07/62/54/260076254.db2.gz YAJWCNWXIHNACY-WDEREUQCSA-N 0 0 272.377 3.412 10 30 CGEERN N#C[C@H](CCCO[C@H]1CCCCO1)c1cccnc1 ZINC000015042680 260085225 /nfs/dbraw/zinc/08/52/25/260085225.db2.gz WYDBLSJVHSWUNU-ZFWWWQNUSA-N 0 0 260.337 3.012 10 30 CGEERN O=C(C[C@@H]1CCCCNC1=O)N[C@H]1CCOC2(CCC2)C1 ZINC000329571902 227612179 /nfs/dbraw/zinc/61/21/79/227612179.db2.gz UVKTZWHRQDKKNK-STQMWFEESA-N 0 0 294.395 3.191 10 30 CGEERN CCc1sc(C(=O)N[C@@H]2CCC[C@H]2C#N)cc1C ZINC000336080213 228185661 /nfs/dbraw/zinc/18/56/61/228185661.db2.gz AFYLYYMLMGUQCU-WDEREUQCSA-N 0 0 262.378 3.041 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NCc1ccc2c(c1)OCCCCO2 ZINC000333608128 228207035 /nfs/dbraw/zinc/20/70/35/228207035.db2.gz WFGVYOQNHUJOCP-LSDHHAIUSA-N 0 0 286.375 3.020 10 30 CGEERN C=C(C)CN(C)C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000180448016 260102414 /nfs/dbraw/zinc/10/24/14/260102414.db2.gz KXPFRLDGPYJEQL-VXGBXAGGSA-N 0 0 265.303 3.103 10 30 CGEERN C[C@]1(C(=O)N[C@@H]2CCC[C@H]2C#N)CCCc2ccccc21 ZINC000408329298 260798531 /nfs/dbraw/zinc/79/85/31/260798531.db2.gz IVCZBWUTBRHLJU-LESCRADOSA-N 0 0 282.387 3.089 10 30 CGEERN CC[C@@H](C#N)NC(=O)c1c[nH]cc1-c1ccc(C)s1 ZINC000188885939 262163837 /nfs/dbraw/zinc/16/38/37/262163837.db2.gz RVNPTXGFFVJGCV-JTQLQIEISA-N 0 0 273.361 3.084 10 30 CGEERN CN(C(=O)[C@H]1C[C@H]1C1CCCCC1)C1(C#N)CCC1 ZINC000161613847 262317554 /nfs/dbraw/zinc/31/75/54/262317554.db2.gz RUGPTSBYVXMGMX-KBPBESRZSA-N 0 0 260.381 3.107 10 30 CGEERN N#CC1(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)CCSCC1 ZINC000162239797 262326173 /nfs/dbraw/zinc/32/61/73/262326173.db2.gz OHSQLOVHERMBBI-ZIAGYGMSSA-N 0 0 292.448 3.108 10 30 CGEERN C=C(Br)CN1CCC[C@@H]1c1nccs1 ZINC000366690152 263131860 /nfs/dbraw/zinc/13/18/60/263131860.db2.gz UPUFMEMDWFAXAT-SECBINFHSA-N 0 0 273.199 3.189 10 30 CGEERN Cc1cc(N[C@@H](C)c2ccccc2C)c(C#N)cn1 ZINC000399559438 267301008 /nfs/dbraw/zinc/30/10/08/267301008.db2.gz GCLSKDIWMHNBHX-ZDUSSCGKSA-N 0 0 251.333 3.165 10 30 CGEERN CCc1nnc(C)cc1C(=O)N[C@H]1CCOc2ccccc21 ZINC000329853510 276706372 /nfs/dbraw/zinc/70/63/72/276706372.db2.gz SCBUGGHKEYANNB-HNNXBMFYSA-N 0 0 297.358 3.176 10 30 CGEERN C=C[C@H](C)[C@H](OC)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000238389151 277910645 /nfs/dbraw/zinc/91/06/45/277910645.db2.gz YENUXMRJCTVILI-AVGNSLFASA-N 0 0 269.385 3.223 10 30 CGEERN C[C@H]1c2ccsc2CCN1c1ccc(C#N)cn1 ZINC000049957139 280136179 /nfs/dbraw/zinc/13/61/79/280136179.db2.gz LYMQRMYHHQTWRI-JTQLQIEISA-N 0 0 255.346 3.138 10 30 CGEERN O=C[C@@H]1CCCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000054268593 280333395 /nfs/dbraw/zinc/33/33/95/280333395.db2.gz RLEOUQVZCAPLMG-SNVBAGLBSA-N 0 0 257.255 3.121 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000329607187 294816398 /nfs/dbraw/zinc/81/63/98/294816398.db2.gz CIBFGQSSRICMPD-ZQNQSHIBSA-N 0 0 275.396 3.151 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000329607183 303158535 /nfs/dbraw/zinc/15/85/35/303158535.db2.gz CIBFGQSSRICMPD-LXFSFDBISA-N 0 0 275.396 3.151 10 30 CGEERN CCC[C@@H](NCc1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000156599932 321783889 /nfs/dbraw/zinc/78/38/89/321783889.db2.gz 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/nfs/dbraw/zinc/64/63/30/526646330.db2.gz MWMFMLRMPOEIJY-GJZGRUSLSA-N 0 0 276.767 3.359 10 30 CGEERN N#Cc1ncccc1CN(Cc1cccs1)C1CC1 ZINC000061664438 526788620 /nfs/dbraw/zinc/78/86/20/526788620.db2.gz RLCVFGLXWYZPBF-UHFFFAOYSA-N 0 0 269.373 3.179 10 30 CGEERN CC[C@H](C)n1ncc(NC(=O)N2C[C@@H]3CCC[C@@H]32)c1C ZINC000330136555 529292370 /nfs/dbraw/zinc/29/23/70/529292370.db2.gz UFUIRPAMMVMVFP-JKOKRWQUSA-N 0 0 276.384 3.192 10 30 CGEERN C#CCN(CC#C)C(=O)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000175723470 617644921 /nfs/dbraw/zinc/64/49/21/617644921.db2.gz ZPUSNFAJJMGOJS-ZWKOTPCHSA-N 0 0 279.383 3.009 10 30 CGEERN C[C@H](S)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000757160211 617827048 /nfs/dbraw/zinc/82/70/48/617827048.db2.gz MCFUHPQQCRXZBL-WHXUTIOJSA-N 0 0 259.415 3.388 10 30 CGEERN C#CCCCCC(=O)O[C@H](C)Cc1ccc(OC)cc1 ZINC000180752098 618886308 /nfs/dbraw/zinc/88/63/08/618886308.db2.gz BZCCBKBIWQZDGK-CQSZACIVSA-N 0 0 274.360 3.363 10 30 CGEERN CO[C@H](C(=O)OCC(C)(C)CCC#N)c1ccccc1 ZINC000195068481 619145991 /nfs/dbraw/zinc/14/59/91/619145991.db2.gz WIRFOIFNXYKVGV-AWEZNQCLSA-N 0 0 275.348 3.247 10 30 CGEERN C=CCOc1ccccc1C(=O)O[C@H](C)C1CCOCC1 ZINC000156000499 622592405 /nfs/dbraw/zinc/59/24/05/622592405.db2.gz YDKUGVDUVNRMKF-CYBMUJFWSA-N 0 0 290.359 3.223 10 30 CGEERN C#CC[C@@H](OC(=O)Cc1cccc(F)c1)c1ccccn1 ZINC000172027134 623209354 /nfs/dbraw/zinc/20/93/54/623209354.db2.gz WWAJNJBBZRTBQQ-MRXNPFEDSA-N 0 0 283.302 3.071 10 30 CGEERN COc1ccc(O)c(/C=N/[C@@H]2CCOc3ccccc32)c1 ZINC000193062422 623820655 /nfs/dbraw/zinc/82/06/55/623820655.db2.gz ITJCGDREHBORGN-CLXYIWAZSA-N 0 0 283.327 3.344 10 30 CGEERN C[C@H](C#N)NC(=O)c1ccc(C2SCCCS2)cc1 ZINC000125706294 634763691 /nfs/dbraw/zinc/76/36/91/634763691.db2.gz VIPUKYCBEIPDNY-SNVBAGLBSA-N 0 0 292.429 3.197 10 30 CGEERN C=CCCO[C@@H](C)C(=O)O[C@@H](C)c1nc2ccccc2[nH]1 ZINC000132206076 636792822 /nfs/dbraw/zinc/79/28/22/636792822.db2.gz VGIBMRNFRLGPHS-RYUDHWBXSA-N 0 0 288.347 3.148 10 30 CGEERN C#CCCCC(=O)O[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000191249628 640297501 /nfs/dbraw/zinc/29/75/01/640297501.db2.gz APTCZJDNRFTDPS-UONOGXRCSA-N 0 0 264.365 3.071 10 30 CGEERN Cc1ccccc1[C@H](C)NC(=O)c1ccccc1OCC#N ZINC000194047863 640508459 /nfs/dbraw/zinc/50/84/59/640508459.db2.gz YCPURYIJPOCUJQ-AWEZNQCLSA-N 0 0 294.354 3.388 10 30 CGEERN COc1cccc([C@@H]2C[C@@H]2C(=O)O[C@H](C)C(C)(C)C#N)c1 ZINC000245564685 640627424 /nfs/dbraw/zinc/62/74/24/640627424.db2.gz WHCLMITWCBZCTP-UGFHNGPFSA-N 0 0 287.359 3.280 10 30 CGEERN CC/C=C\CCOC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000588538697 799707734 /nfs/dbraw/zinc/70/77/34/799707734.db2.gz JSGUWPJOEIOQEH-ARJAWSKDSA-N 0 0 269.344 3.489 10 30 CGEERN CC[C@@H](CC#N)OC(=O)/C=C(/C)c1ccccc1OC ZINC000588558233 799711246 /nfs/dbraw/zinc/71/12/46/799711246.db2.gz BTJZVNIBVGGYMK-HHQWOOOKSA-N 0 0 273.332 3.334 10 30 CGEERN Cc1nccn1-c1ccc(C(=O)/C=C\c2cocn2)cc1 ZINC000588578626 799716066 /nfs/dbraw/zinc/71/60/66/799716066.db2.gz GBVAUTFEPFTUIW-DAXSKMNVSA-N 0 0 279.299 3.065 10 30 CGEERN N#CC1CC2(C1)CCN(C(=O)OCc1ccccc1)CC2 ZINC000096028779 185067700 /nfs/dbraw/zinc/06/77/00/185067700.db2.gz QCTWMTBOPZRLNG-UHFFFAOYSA-N 0 0 284.359 3.339 10 30 CGEERN C[C@@H](Nc1cc(C#N)ccc1[N+](=O)[O-])c1ccco1 ZINC000124734628 187151410 /nfs/dbraw/zinc/15/14/10/187151410.db2.gz FVBOGJZZFAPCNX-SECBINFHSA-N 0 0 257.249 3.233 10 30 CGEERN C/C(=N\NC(=S)N1CCCCCC1)c1ccccc1 ZINC000038822705 344956902 /nfs/dbraw/zinc/95/69/02/344956902.db2.gz QFGPHOSUVMHUEP-DTQAZKPQSA-N 0 0 275.421 3.161 10 30 CGEERN COc1ccc2c(c1)CCN2c1cccc(C#N)c1 ZINC000039601500 344961052 /nfs/dbraw/zinc/96/10/52/344961052.db2.gz GRPICTVRDKRVBA-UHFFFAOYSA-N 0 0 250.301 3.261 10 30 CGEERN CC(C)[C@@H](C#N)C(=O)c1ccccc1Br ZINC000041045657 344966738 /nfs/dbraw/zinc/96/67/38/344966738.db2.gz FJZHOBAJDWZVBP-SNVBAGLBSA-N 0 0 266.138 3.428 10 30 CGEERN N#CCC(=O)c1ccc(Br)cc1Cl ZINC000037367029 344950265 /nfs/dbraw/zinc/95/02/65/344950265.db2.gz VIPPLCMBACIPKZ-UHFFFAOYSA-N 0 0 258.502 3.199 10 30 CGEERN C[C@H](C#N)CC(=O)c1ccc(Br)cc1F ZINC000043368337 344997822 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/nfs/dbraw/zinc/09/46/82/346094682.db2.gz GLEUJEXRORRVKK-SSDOTTSWSA-N 0 0 258.090 3.269 10 30 CGEERN CCCC(=O)/C=C/C=C/C=C/C#CC#CCCC=O ZINC000140034646 346103182 /nfs/dbraw/zinc/10/31/82/346103182.db2.gz XMZQRTVYENCUHA-YNQQSWPQSA-N 0 0 254.329 3.010 10 30 CGEERN C=CCOc1cccc2c1C(=O)c1c(OC)cccc1C2=O ZINC000146349928 346123562 /nfs/dbraw/zinc/12/35/62/346123562.db2.gz LXLNDKWBLWRFDO-UHFFFAOYSA-N 0 0 294.306 3.035 10 30 CGEERN N#CCCOCCOCCc1cccc2ccccc21 ZINC000149075166 346129722 /nfs/dbraw/zinc/12/97/22/346129722.db2.gz GBVKAQRIXJYEJP-UHFFFAOYSA-N 0 0 269.344 3.329 10 30 CGEERN CO[C@H](C#N)c1ccc(Br)cc1Cl ZINC000161120368 346174519 /nfs/dbraw/zinc/17/45/19/346174519.db2.gz QUXVXPUXNYUIEX-SECBINFHSA-N 0 0 260.518 3.314 10 30 CGEERN C[C@H]1CCN(C(=O)c2sccc2C#N)C[C@H](C)C1 ZINC000162983972 346180001 /nfs/dbraw/zinc/18/00/01/346180001.db2.gz FCFQRDGTZPLICA-WDEREUQCSA-N 0 0 262.378 3.128 10 30 CGEERN CC=C=CC(=O)c1c(F)cccc1Br ZINC000165100427 346183206 /nfs/dbraw/zinc/18/32/06/346183206.db2.gz PBRJALBCFMQKQH-UHFFFAOYSA-N 0 0 255.086 3.184 10 30 CGEERN CCc1nc(C2(NCCCC(C)(C)C#N)CCCC2)no1 ZINC000174878718 346245912 /nfs/dbraw/zinc/24/59/12/346245912.db2.gz YYBUAEBAODYHBX-UHFFFAOYSA-N 0 0 290.411 3.321 10 30 CGEERN CC(C)(C#CBr)OCc1ccccc1 ZINC000205219718 346282688 /nfs/dbraw/zinc/28/26/88/346282688.db2.gz BEJLANUWWDXCFH-UHFFFAOYSA-N 0 0 253.139 3.338 10 30 CGEERN O=[N+]([O-])c1ccc(/C=[N+](\[O-])c2ccc(Cl)cc2)cc1 ZINC000225421560 346304099 /nfs/dbraw/zinc/30/40/99/346304099.db2.gz LJXKGNCKBMBCMT-DHDCSXOGSA-N 0 0 277.687 3.401 10 30 CGEERN N#C[C@H]1CCO[C@H]1c1sccc1Br ZINC000228022893 346312759 /nfs/dbraw/zinc/31/27/59/346312759.db2.gz SVZYQCZRPXCRAB-HTRCEHHLSA-N 0 0 258.140 3.112 10 30 CGEERN CCO[C@@H](C#N)c1cc(Br)c(C)s1 ZINC000227984266 346312823 /nfs/dbraw/zinc/31/28/23/346312823.db2.gz CDTNTMABJLYQGI-QMMMGPOBSA-N 0 0 260.156 3.420 10 30 CGEERN N#CCCCNc1cc(F)ccc1Br ZINC000232247623 346325416 /nfs/dbraw/zinc/32/54/16/346325416.db2.gz RZVXKVHBUHDDNU-UHFFFAOYSA-N 0 0 257.106 3.304 10 30 CGEERN N#CC#Cc1cc(Br)sc1Br ZINC000232479720 346326393 /nfs/dbraw/zinc/32/63/93/346326393.db2.gz PDQPNSXYBMFXDG-UHFFFAOYSA-N 0 0 290.967 3.148 10 30 CGEERN C=C[C@H](C)Nc1cccc(I)c1 ZINC000235556017 346336404 /nfs/dbraw/zinc/33/64/04/346336404.db2.gz LYBZPHIGZKDYTR-QMMMGPOBSA-N 0 0 273.117 3.278 10 30 CGEERN CC(C)(C)[S@](=O)/N=C/c1ccccc1Br ZINC000098091285 185686637 /nfs/dbraw/zinc/68/66/37/185686637.db2.gz VMEHKEMQFHRFLH-XETPBLJFSA-N 0 0 288.210 3.330 10 30 CGEERN CN(/C=[NH+]\c1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000085475790 179079010 /nfs/dbraw/zinc/07/90/10/179079010.db2.gz XHISAOSCQLEAFC-WJDWOHSUSA-N 0 0 254.289 3.181 10 30 CGEERN Cc1cc(Br)cnc1C1(C#N)CCC1 ZINC000306253509 346452297 /nfs/dbraw/zinc/45/22/97/346452297.db2.gz NDZOSQHLINRREW-UHFFFAOYSA-N 0 0 251.127 3.098 10 30 CGEERN O=C(C1=COCC1)c1ccc(F)cc1Br ZINC000306517123 346454527 /nfs/dbraw/zinc/45/45/27/346454527.db2.gz ACOQLINJEJHQPR-UHFFFAOYSA-N 0 0 271.085 3.075 10 30 CGEERN O=C[C@@H]1CCC[C@H](c2ccc(Br)cc2)O1 ZINC000306730083 346457083 /nfs/dbraw/zinc/45/70/83/346457083.db2.gz PEHPRCQWWIFWQW-NWDGAFQWSA-N 0 0 269.138 3.258 10 30 CGEERN N#Cc1cc(C(=O)COCc2ccccc2)ccc1F ZINC000309952150 346470460 /nfs/dbraw/zinc/47/04/60/346470460.db2.gz GTUWXLZOXJQAAE-UHFFFAOYSA-N 0 0 269.275 3.097 10 30 CGEERN O=C[C@H]1CC[C@@H](c2ccc(OC(F)(F)F)cc2)O1 ZINC000311136384 346473160 /nfs/dbraw/zinc/47/31/60/346473160.db2.gz KLXKVQCLWFOGON-MNOVXSKESA-N 0 0 260.211 3.004 10 30 CGEERN O=[N+]([O-])c1ccc(/C=N/c2cccc([N+](=O)[O-])c2)cc1 ZINC000100034095 185702281 /nfs/dbraw/zinc/70/22/81/185702281.db2.gz DMOOLFPEWSJQAV-NTEUORMPSA-N 0 0 271.232 3.254 10 30 CGEERN N#CCc1ccc(C(F)(F)F)c(Br)c1N ZINC000396045216 346578747 /nfs/dbraw/zinc/57/87/47/346578747.db2.gz AQXYQQIMESJUNE-UHFFFAOYSA-N 0 0 279.059 3.116 10 30 CGEERN N#CCc1c(N)c(C(F)(F)F)ccc1C(F)(F)F ZINC000514261441 346635762 /nfs/dbraw/zinc/63/57/62/346635762.db2.gz SZDMZFUQUCTHAG-UHFFFAOYSA-N 0 0 268.160 3.372 10 30 CGEERN N#CCc1cc(C(F)(F)F)c(C(F)(F)F)cn1 ZINC000514263952 346636411 /nfs/dbraw/zinc/63/64/11/346636411.db2.gz GXCKAJQUVICPPA-UHFFFAOYSA-N 0 0 254.133 3.185 10 30 CGEERN CC(C)(C)OC(=O)N1CCc2cc(Cl)ccc2[C@H]1C=O ZINC000584644964 346703200 /nfs/dbraw/zinc/70/32/00/346703200.db2.gz BLWNUQJQZQPREZ-CYBMUJFWSA-N 0 0 295.766 3.373 10 30 CGEERN O=CC1C[C@H]2CCC[C@@H](C1)N2C(=O)OCc1ccccc1 ZINC000584645052 346703284 /nfs/dbraw/zinc/70/32/84/346703284.db2.gz KSQVKPMXWYJINZ-MQVJKMGUSA-N 0 0 287.359 3.155 10 30 CGEERN CCOC(=O)c1cc(C)c(C)c(Br)c1C#N ZINC000585672614 346726666 /nfs/dbraw/zinc/72/66/66/346726666.db2.gz ACEXNVPOSDEORF-UHFFFAOYSA-N 0 0 282.137 3.114 10 30 CGEERN COc1cc(OC)c(/N=C/c2ccccc2)c(OC)c1 ZINC000584591895 346686553 /nfs/dbraw/zinc/68/65/53/346686553.db2.gz QTBFUYZCVRUUDR-GZTJUZNOSA-N 0 0 271.316 3.463 10 30 CGEERN N#Cc1ccccc1[C@H](C#N)Cc1ccc([N+](=O)[O-])cc1 ZINC000584596366 346687538 /nfs/dbraw/zinc/68/75/38/346687538.db2.gz ZMWGUQHTQKFNHJ-AWEZNQCLSA-N 0 0 277.283 3.316 10 30 CGEERN CC(C)O[C@](O)(C=O)c1ccc(-c2ccccc2)cc1 ZINC000584611806 346692484 /nfs/dbraw/zinc/69/24/84/346692484.db2.gz XPOAGEQWTNMKRY-QGZVFWFLSA-N 0 0 270.328 3.123 10 30 CGEERN Cc1cnc(C#N)cc1-c1ccc(C(F)(F)F)nc1 ZINC000584613210 346693086 /nfs/dbraw/zinc/69/30/86/346693086.db2.gz PDBWPXPQXGMVFX-UHFFFAOYSA-N 0 0 263.222 3.343 10 30 CGEERN CC[C@@]1(c2ccc(-c3ccccc3)cc2)O[C@@H](O)C=CC1=O ZINC000584625191 346697083 /nfs/dbraw/zinc/69/70/83/346697083.db2.gz HTKUNVMIHFESPC-MOPGFXCFSA-N 0 0 294.350 3.433 10 30 CGEERN N#C[C@@H](c1cccnc1)[C@@H](CCO)c1cc(F)ccc1F ZINC000584633308 346699520 /nfs/dbraw/zinc/69/95/20/346699520.db2.gz AUSHARRXHMNSGD-ZFWWWQNUSA-N 0 0 288.297 3.133 10 30 CGEERN CC(C)(C)c1ccc(C#N)c(I)c1 ZINC000584634491 346700141 /nfs/dbraw/zinc/70/01/41/346700141.db2.gz GBWUCGYVMVMDQS-UHFFFAOYSA-N 0 0 285.128 3.460 10 30 CGEERN CCC1CCC(NC(=O)N2CC[C@@H](O)C23CCCC3)CC1 ZINC000330282030 282536485 /nfs/dbraw/zinc/53/64/85/282536485.db2.gz AIVUKXMNKKOJBI-YMAMQOFZSA-N 0 0 294.439 3.249 10 30 CGEERN C[C@@H]1CCC[C@H](C)[C@@]1(CC=O)NC(=O)OC(C)(C)C ZINC000616568534 348833782 /nfs/dbraw/zinc/83/37/82/348833782.db2.gz KBAITJOQTFJPLD-JYAVWHMHSA-N 0 0 269.385 3.295 10 30 CGEERN CC(=O)N1C[C@@H](c2ccccc2C#N)Nc2ccccc21 ZINC000616585092 348836733 /nfs/dbraw/zinc/83/67/33/348836733.db2.gz UMHDZNXZBDNLCM-INIZCTEOSA-N 0 0 277.327 3.078 10 30 CGEERN COC(=O)N1CCCCC[C@@H]1c1ccccc1C#N ZINC000616622013 348847999 /nfs/dbraw/zinc/84/79/99/348847999.db2.gz HZPWNPBINKCUEV-CQSZACIVSA-N 0 0 258.321 3.242 10 30 CGEERN Cc1nn(C)c(Nc2ccc(Br)cc2)c1C#N ZINC000104317902 185967107 /nfs/dbraw/zinc/96/71/07/185967107.db2.gz ABBNKJNUYVXUTP-UHFFFAOYSA-N 0 0 291.152 3.106 10 30 CGEERN C[C@H]1OCC[C@H]1NC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000329245323 291226303 /nfs/dbraw/zinc/22/63/03/291226303.db2.gz VCMXHVJYBSCNOW-BXKDBHETSA-N 0 0 288.347 3.048 10 30 CGEERN CCc1nnc(CS[C@H](C)c2ccc(C#N)cc2)n1C ZINC000179834252 189222997 /nfs/dbraw/zinc/22/29/97/189222997.db2.gz LNFXUQMAFFFQNS-LLVKDONJSA-N 0 0 286.404 3.244 10 30 CGEERN CC[S@](=O)[C@H]1CCC[C@H](Nc2ccc(C#N)cc2F)C1 ZINC000301588805 201083224 /nfs/dbraw/zinc/08/32/24/201083224.db2.gz WWXGAUWBUUPKNE-QAJFTPDKSA-N 0 0 294.395 3.189 10 30 CGEERN CC#C[C@@H](Cc1ccc(O)cc1)c1ccc(O)cc1 ZINC000013470345 368654497 /nfs/dbraw/zinc/65/44/97/368654497.db2.gz UUCSGILLVJJEAR-HNNXBMFYSA-N 0 0 252.313 3.447 10 30 CGEERN CCC[C@@H](O)/C=C/C=C/C=C/C#CC#CCCCOC ZINC000013835251 368668678 /nfs/dbraw/zinc/66/86/78/368668678.db2.gz ZDTIILJFCSYVEX-ZRUZONQBSA-N 0 0 272.388 3.249 10 30 CGEERN C=C1C(=O)c2ccccc2O[C@H]1c1ccc(C#N)cc1 ZINC000026017099 368855043 /nfs/dbraw/zinc/85/50/43/368855043.db2.gz LZVJLQREDVKWAU-QGZVFWFLSA-N 0 0 261.280 3.431 10 30 CGEERN CCCCOc1ccc(C[C@H](C)N(O)C(C)=O)cc1 ZINC000029568215 368897313 /nfs/dbraw/zinc/89/73/13/368897313.db2.gz RZAPIGSSPDVCID-LBPRGKRZSA-N 0 0 265.353 3.034 10 30 CGEERN C[C@H](C#N)CC(=O)c1ccc(Br)cc1 ZINC000033426742 368964986 /nfs/dbraw/zinc/96/49/86/368964986.db2.gz JGZJGMLRLGZDRQ-QMMMGPOBSA-N 0 0 252.111 3.182 10 30 CGEERN N#CCc1cccc(C(=O)N[C@H]2CCOc3ccccc32)c1 ZINC000042397967 369219137 /nfs/dbraw/zinc/21/91/37/369219137.db2.gz AYPADTYHMFMSKD-INIZCTEOSA-N 0 0 292.338 3.006 10 30 CGEERN CC(N=Nc1ccccc1[N+](=O)[O-])c1ccc(O)cc1 ZINC000057453967 369537973 /nfs/dbraw/zinc/53/79/73/369537973.db2.gz AOFPBKXVKJETLS-XNTDXEJSSA-N 0 0 271.276 3.137 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)c1ccc2ccccc2c1 ZINC000061889283 369609355 /nfs/dbraw/zinc/60/93/55/369609355.db2.gz VXSXGNSSBXEWSJ-HZPDHXFCSA-N 0 0 264.328 3.262 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NCc1ccc(OC(F)(F)F)cc1 ZINC000061891165 369610810 /nfs/dbraw/zinc/61/08/10/369610810.db2.gz MIZSIXXKVLMLSI-AAEUAGOBSA-N 0 0 284.281 3.367 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NCc1ccc(Br)cc1F ZINC000061891812 369610902 /nfs/dbraw/zinc/61/09/02/369610902.db2.gz VUHMKWGHZDQWGK-TVQRCGJNSA-N 0 0 297.171 3.370 10 30 CGEERN CCCOc1cccc(CN[C@H]2CCC[C@H]2C#N)c1 ZINC000061892701 369611306 /nfs/dbraw/zinc/61/13/06/369611306.db2.gz AHUHGZBNIHFVDV-HOCLYGCPSA-N 0 0 258.365 3.257 10 30 CGEERN F[C@@H](C(F)(F)F)C(F)(F)COC(F)(F)F ZINC000081165549 369994916 /nfs/dbraw/zinc/99/49/16/369994916.db2.gz VAYMHGRUTJPRGK-UWTATZPHSA-N 0 0 250.060 3.059 10 30 CGEERN N#Cc1ccc(OCC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000098210915 370269011 /nfs/dbraw/zinc/26/90/11/370269011.db2.gz NDKLLESTBWWZSH-VIFPVBQESA-N 0 0 283.171 3.473 10 30 CGEERN N#Cc1ccc(F)c(CN2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000114484219 370502973 /nfs/dbraw/zinc/50/29/73/370502973.db2.gz DYPIGKJKZVATLS-MRXNPFEDSA-N 0 0 284.338 3.148 10 30 CGEERN N#Cc1cccc(NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000115171408 370524413 /nfs/dbraw/zinc/52/44/13/370524413.db2.gz UIGMEFXSVUJURE-OAHLLOKOSA-N 0 0 295.346 3.040 10 30 CGEERN C[C@@H]1CC[C@H](C(=O)Nc2ccccc2SCCC#N)O1 ZINC000153424611 371766954 /nfs/dbraw/zinc/76/69/54/371766954.db2.gz ONONCPHSIZSQQQ-DGCLKSJQSA-N 0 0 290.388 3.198 10 30 CGEERN Cc1ccc([C@@H](C)NC(=O)c2ccc(C#N)cc2C)o1 ZINC000161532794 372332691 /nfs/dbraw/zinc/33/26/91/372332691.db2.gz KJVUGXGFFGVTHD-GFCCVEGCSA-N 0 0 268.316 3.259 10 30 CGEERN C[C@H](NC(=O)c1cc(C#N)c[nH]1)c1ccc(F)c(Cl)c1 ZINC000175414525 373465419 /nfs/dbraw/zinc/46/54/19/373465419.db2.gz ZHTWLNXRIGCHCK-QMMMGPOBSA-N 0 0 291.713 3.170 10 30 CGEERN C#CCCCCNc1ccc(OC(F)(F)F)cn1 ZINC000302585934 373900294 /nfs/dbraw/zinc/90/02/94/373900294.db2.gz UTPAMKADCZKGJT-UHFFFAOYSA-N 0 0 258.243 3.196 10 30 CGEERN N#Cc1nc(Sc2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000302684002 373926192 /nfs/dbraw/zinc/92/61/92/373926192.db2.gz ANYFPCFCNYMBBO-UHFFFAOYSA-N 0 0 293.254 3.291 10 30 CGEERN N#Cc1ccc(Oc2cncc(Cl)n2)cc1Cl ZINC000302848331 373982562 /nfs/dbraw/zinc/98/25/62/373982562.db2.gz HMISTTFZTFWBNK-UHFFFAOYSA-N 0 0 266.087 3.447 10 30 CGEERN C#CCCOc1ncc(Br)c2ccsc21 ZINC000307675841 374150383 /nfs/dbraw/zinc/15/03/83/374150383.db2.gz GGPXXJFULZVGAW-UHFFFAOYSA-N 0 0 282.162 3.461 10 30 CGEERN C[C@H](CC1CC1)NC(=O)C[C@@H]1CCCCNC1=O ZINC000329307406 374404058 /nfs/dbraw/zinc/40/40/58/374404058.db2.gz ZCSSTOYFEOVIEH-PWSUYJOCSA-N 0 0 252.358 3.278 10 30 CGEERN O=C(Nc1cccc(-c2ncco2)c1)N1C[C@@H]2CCC[C@H]21 ZINC000328773020 374382498 /nfs/dbraw/zinc/38/24/98/374382498.db2.gz RQVYDCWCZLEPMK-GXTWGEPZSA-N 0 0 283.331 3.371 10 30 CGEERN Cc1ccc([C@H](C)NCc2cccc(C#N)c2F)o1 ZINC000230630312 376522821 /nfs/dbraw/zinc/52/28/21/376522821.db2.gz PXVWKFXRVRMENV-NSHDSACASA-N 0 0 258.296 3.450 10 30 CGEERN C[C@H]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(C#N)n2)C1 ZINC000235652783 376645787 /nfs/dbraw/zinc/64/57/87/376645787.db2.gz RDRXFFXHKIBHBC-QWRGUYRKSA-N 0 0 274.324 3.100 10 30 CGEERN CCn1nc(C)c(N=Cc2ccc(OC)c(OC)c2)c1C ZINC000254823532 377715428 /nfs/dbraw/zinc/71/54/28/377715428.db2.gz NADBKDVHHLUORN-UHFFFAOYSA-N 0 0 287.363 3.288 10 30 CGEERN Cc1nc(C#N)cc(-c2ccc(Br)s2)n1 ZINC000259140949 377804339 /nfs/dbraw/zinc/80/43/39/377804339.db2.gz FGXLFEJQKOHKDW-UHFFFAOYSA-N 0 0 280.150 3.148 10 30 CGEERN COC(=O)Cc1ccc(SC(F)(F)F)c(C#N)c1F ZINC000575390671 377898440 /nfs/dbraw/zinc/89/84/40/377898440.db2.gz OCBMWRGWQVGMAH-UHFFFAOYSA-N 0 0 293.241 3.025 10 30 CGEERN N#Cc1c(CO)cc(C(F)(F)F)cc1C(F)(F)F ZINC000575340819 377882217 /nfs/dbraw/zinc/88/22/17/377882217.db2.gz CUFLUZMXQAZIKL-UHFFFAOYSA-N 0 0 269.144 3.088 10 30 CGEERN COC(=O)Cc1cc(F)c(C#N)c(SC(F)(F)F)c1 ZINC000575390613 377898723 /nfs/dbraw/zinc/89/87/23/377898723.db2.gz FQZPETGSLXEMAP-UHFFFAOYSA-N 0 0 293.241 3.025 10 30 CGEERN CCOC(=O)c1cc(CC)cc(C(F)(F)F)c1C#N ZINC000575389918 377899004 /nfs/dbraw/zinc/89/90/04/377899004.db2.gz VISWGWOOQYFJFS-UHFFFAOYSA-N 0 0 271.238 3.316 10 30 CGEERN COC(=O)Cc1cc(C#N)c(F)c(SC(F)(F)F)c1 ZINC000575390680 377899105 /nfs/dbraw/zinc/89/91/05/377899105.db2.gz PKDNKHZBDZPKKD-UHFFFAOYSA-N 0 0 293.241 3.025 10 30 CGEERN N#CCc1c(C(F)(F)F)ccc(N)c1C(F)(F)F ZINC000575380727 377892701 /nfs/dbraw/zinc/89/27/01/377892701.db2.gz GOLWZFWAFUXKSP-UHFFFAOYSA-N 0 0 268.160 3.372 10 30 CGEERN COC(=O)c1cc(C#N)cc(C(F)(F)F)c1Cl ZINC000575383069 377893720 /nfs/dbraw/zinc/89/37/20/377893720.db2.gz FJADJTSFXKQIIC-UHFFFAOYSA-N 0 0 263.602 3.017 10 30 CGEERN CCOC(=O)c1cc(C#N)c(Cl)cc1C(F)(F)F ZINC000575383246 377893888 /nfs/dbraw/zinc/89/38/88/377893888.db2.gz KZMYHVQBIPRUGU-UHFFFAOYSA-N 0 0 277.629 3.407 10 30 CGEERN COC(=O)Cc1ccc(C(F)(F)F)c(C(F)F)c1C#N ZINC000575387004 377895283 /nfs/dbraw/zinc/89/52/83/377895283.db2.gz BTLOXAVLOZUDQE-UHFFFAOYSA-N 0 0 293.191 3.230 10 30 CGEERN CCOC(=O)Cc1ccc(C(F)F)c(C#N)c1CC ZINC000575389339 377897234 /nfs/dbraw/zinc/89/72/34/377897234.db2.gz AIEMYGGNFDTPPF-UHFFFAOYSA-N 0 0 267.275 3.164 10 30 CGEERN CCOC(=O)c1cc(C#N)c(CC)cc1C(F)(F)F ZINC000575389608 377897322 /nfs/dbraw/zinc/89/73/22/377897322.db2.gz MGGZVWSKWIIPNE-UHFFFAOYSA-N 0 0 271.238 3.316 10 30 CGEERN CC(C)(C)OC(=O)N[C@@]1(C#N)CCCC12CCC2 ZINC000575497009 377916616 /nfs/dbraw/zinc/91/66/16/377916616.db2.gz RGBKXXOJIPLASO-CQSZACIVSA-N 0 0 250.342 3.128 10 30 CGEERN CCOc1c(C#N)ccc(CC#N)c1C(F)(F)F ZINC000575642634 377926197 /nfs/dbraw/zinc/92/61/97/377926197.db2.gz FPYPJNDPQQXGMC-UHFFFAOYSA-N 0 0 254.211 3.042 10 30 CGEERN CCOc1cc(CC#N)c(C(F)(F)F)cc1C#N ZINC000575642471 377926285 /nfs/dbraw/zinc/92/62/85/377926285.db2.gz BQFCRORHZVZOFM-UHFFFAOYSA-N 0 0 254.211 3.042 10 30 CGEERN CCOc1cc(CC#N)cc(OCC)c1C(F)F ZINC000575650542 377928345 /nfs/dbraw/zinc/92/83/45/377928345.db2.gz OVLLRZGJCSXSHQ-UHFFFAOYSA-N 0 0 255.264 3.488 10 30 CGEERN N#Cc1cc(F)c(OC(F)(F)F)cc1OC(F)F ZINC000575658798 377934687 /nfs/dbraw/zinc/93/46/87/377934687.db2.gz DSRDQWLTUPPXOI-UHFFFAOYSA-N 0 0 271.116 3.197 10 30 CGEERN COc1cc(CC#N)c(OC(F)F)cc1C(F)(F)F ZINC000575664525 377940791 /nfs/dbraw/zinc/94/07/91/377940791.db2.gz HTRSKMKYKFSZRK-UHFFFAOYSA-N 0 0 281.180 3.381 10 30 CGEERN COc1ccc(C(F)(F)F)c(OC(F)F)c1CC#N ZINC000575664544 377940855 /nfs/dbraw/zinc/94/08/55/377940855.db2.gz IBQGYIOXCXHAGJ-UHFFFAOYSA-N 0 0 281.180 3.381 10 30 CGEERN CCOC(=O)c1cc(OCC)cc(C#N)c1C(F)(F)F ZINC000575670886 377947188 /nfs/dbraw/zinc/94/71/88/377947188.db2.gz NRZUIHFJTXLOPD-UHFFFAOYSA-N 0 0 287.237 3.152 10 30 CGEERN CCOC(=O)c1cc(OCC)c(C#N)cc1C(F)(F)F ZINC000575671574 377947698 /nfs/dbraw/zinc/94/76/98/377947698.db2.gz UXZTYZIXGYBXAG-UHFFFAOYSA-N 0 0 287.237 3.152 10 30 CGEERN Cc1c(Br)c(C#N)ccc1OC(F)F ZINC000575682952 377957123 /nfs/dbraw/zinc/95/71/23/377957123.db2.gz HJFYHQDOIDNOSJ-UHFFFAOYSA-N 0 0 262.053 3.231 10 30 CGEERN N#CCc1c(Br)ccc(Cl)c1[N+](=O)[O-] ZINC000575678579 377952774 /nfs/dbraw/zinc/95/27/74/377952774.db2.gz QGEWLMHCRXTCCQ-UHFFFAOYSA-N 0 0 275.489 3.077 10 30 CGEERN N#CCc1cc(Br)c(OC(F)F)cc1F ZINC000575679677 377953923 /nfs/dbraw/zinc/95/39/23/377953923.db2.gz AFPQAJDNDBVDFT-UHFFFAOYSA-N 0 0 280.043 3.256 10 30 CGEERN Nc1ccc(C(F)(F)F)c(OC(F)(F)F)c1F ZINC000575397340 377904038 /nfs/dbraw/zinc/90/40/38/377904038.db2.gz LJSMHPGZAUKXFT-UHFFFAOYSA-N 0 0 263.112 3.325 10 30 CGEERN N#CCc1c(C(F)(F)F)cncc1C(F)(F)F ZINC000575397621 377905095 /nfs/dbraw/zinc/90/50/95/377905095.db2.gz VHVPDMNDTPESMI-UHFFFAOYSA-N 0 0 254.133 3.185 10 30 CGEERN COc1c(Cl)c(C)c(Br)cc1C#N ZINC000575423645 377908085 /nfs/dbraw/zinc/90/80/85/377908085.db2.gz XRRVNJGJOXJKGE-UHFFFAOYSA-N 0 0 260.518 3.291 10 30 CGEERN N#CCc1cc(C(F)F)c([N+](=O)[O-])cc1Br ZINC000575684275 377959240 /nfs/dbraw/zinc/95/92/40/377959240.db2.gz FBZPAZHCQKPZHY-UHFFFAOYSA-N 0 0 291.051 3.361 10 30 CGEERN COc1cc(Br)c(CC#N)cc1C(F)F ZINC000575684926 377960465 /nfs/dbraw/zinc/96/04/65/377960465.db2.gz JMYMIDSFMIICIO-UHFFFAOYSA-N 0 0 276.080 3.461 10 30 CGEERN N#CCc1c(O)ccc(OC(F)(F)F)c1Br ZINC000575690741 377965786 /nfs/dbraw/zinc/96/57/86/377965786.db2.gz BNQOIFIOHQJFTI-UHFFFAOYSA-N 0 0 296.042 3.119 10 30 CGEERN N#CC1(C(=O)N2C[C@@H]3CCCCC[C@@H]32)CCCCC1 ZINC000375851096 379514167 /nfs/dbraw/zinc/51/41/67/379514167.db2.gz UALIFDJYTRDCQD-KBPBESRZSA-N 0 0 260.381 3.252 10 30 CGEERN C[C@@H]1CC(c2noc(-c3cc(C#N)c[nH]3)n2)C[C@@H](C)C1 ZINC000408227384 380000129 /nfs/dbraw/zinc/00/01/29/380000129.db2.gz SHINKVBSHAIDDY-UWVGGRQHSA-N 0 0 270.336 3.476 10 30 CGEERN CC[C@@H](NC(=O)c1c(F)cc(C#N)cc1F)C(C)C ZINC000267956434 190365358 /nfs/dbraw/zinc/36/53/58/190365358.db2.gz JOFOPUCQOLCZBI-GFCCVEGCSA-N 0 0 266.291 3.001 10 30 CGEERN C[C@H](C[C@H]1CCCO1)NC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000328680566 542443709 /nfs/dbraw/zinc/44/37/09/542443709.db2.gz CBAQOJYHYWDAEL-MQAAVTGUSA-N 0 0 293.407 3.296 10 30 CGEERN CCc1nnc(C)cc1C(=O)N[C@@H]1CCOc2ccccc21 ZINC000329853513 542449520 /nfs/dbraw/zinc/44/95/20/542449520.db2.gz SCBUGGHKEYANNB-OAHLLOKOSA-N 0 0 297.358 3.176 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)NCCC1=CCCCCC1 ZINC000332913662 542451755 /nfs/dbraw/zinc/45/17/55/542451755.db2.gz OGVPLDNLPGCFIT-CABCVRRESA-N 0 0 275.396 3.258 10 30 CGEERN C=C(C)CCC(=O)[C@@H](C)NC(=O)OCc1ccccc1 ZINC000406122508 542628053 /nfs/dbraw/zinc/62/80/53/542628053.db2.gz UWVAVLGAHWUOCP-CYBMUJFWSA-N 0 0 275.348 3.227 10 30 CGEERN CC(=O)OCc1cccc(CCCC=O)c1Br ZINC000072191297 392196357 /nfs/dbraw/zinc/19/63/57/392196357.db2.gz LTIOANTXVCIHCO-UHFFFAOYSA-N 0 0 299.164 3.034 10 30 CGEERN N#Cc1c(F)cccc1N1CCC[C@@H]1c1nccs1 ZINC000361814779 392332538 /nfs/dbraw/zinc/33/25/38/392332538.db2.gz VGFMGMVSKQCQEX-CYBMUJFWSA-N 0 0 273.336 3.495 10 30 CGEERN C=CCCCN(C)C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000135076410 392471282 /nfs/dbraw/zinc/47/12/82/392471282.db2.gz KLHIZRPKVCJJFB-STQMWFEESA-N 0 0 279.330 3.493 10 30 CGEERN O=C[C@@]1(Cc2ccc(Br)cc2)CCCS1 ZINC000307161118 392647753 /nfs/dbraw/zinc/64/77/53/392647753.db2.gz WPIWXZFNOQOEFS-LBPRGKRZSA-N 0 0 285.206 3.456 10 30 CGEERN Cn1cc(/C=C2\CCOc3ccc(F)cc3C2=O)cc1C#N ZINC000191263743 392826212 /nfs/dbraw/zinc/82/62/12/392826212.db2.gz PJXAAEYLZUOIBV-WUXMJOGZSA-N 0 0 296.301 3.085 10 30 CGEERN Cc1cc2c(cc1NC(=O)N1CC[C@H]3CCC[C@@H]31)OCO2 ZINC000330231735 292010982 /nfs/dbraw/zinc/01/09/82/292010982.db2.gz FCUUJVGOWVADHJ-YPMHNXCESA-N 0 0 288.347 3.144 10 30 CGEERN Cc1cccc(C)c1N1C=NC(=O)C1=NNc1ccccc1 ZINC000006814997 397603927 /nfs/dbraw/zinc/60/39/27/397603927.db2.gz DJGBTLQNTUBUDM-CAPFRKAQSA-N 0 0 292.342 3.104 10 30 CGEERN Cc1sc([C@H]2CC[C@@H](C=O)O2)cc1Br ZINC000307522000 397681019 /nfs/dbraw/zinc/68/10/19/397681019.db2.gz BHADQUQHONGMPK-IONNQARKSA-N 0 0 275.167 3.238 10 30 CGEERN Cc1ccnc(N2CCC(Cc3ccccn3)CC2)c1C#N ZINC000181893913 165692563 /nfs/dbraw/zinc/69/25/63/165692563.db2.gz UKKLOUXMTFUODR-UHFFFAOYSA-N 0 0 292.386 3.116 10 30 CGEERN Oc1ccc(C=NNc2ccc3ccccc3n2)c(O)c1 ZINC000004982253 170048447 /nfs/dbraw/zinc/04/84/47/170048447.db2.gz DCMXMMXKJZXPCW-LICLKQGHSA-N 0 0 279.299 3.092 10 30 CGEERN CC(=NNc1nc2ccccc2[nH]1)c1ccc2c(c1)OCO2 ZINC000005070825 170063900 /nfs/dbraw/zinc/06/39/00/170063900.db2.gz YOSCHXBWQNRKNN-VXLYETTFSA-N 0 0 294.314 3.128 10 30 CGEERN COc1ccc(C(C)=NNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000005289604 170083832 /nfs/dbraw/zinc/08/38/32/170083832.db2.gz ROKNZPCBVFSNMB-LFIBNONCSA-N 0 0 285.303 3.440 10 30 CGEERN C=C[C@H]([C@@H](O)c1ccc(C)cc1)n1nc2ccccc2n1 ZINC000005416225 170096325 /nfs/dbraw/zinc/09/63/25/170096325.db2.gz HWKWPDMESBOERX-SJORKVTESA-N 0 0 279.343 3.200 10 30 CGEERN N#Cc1cccc(NC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000005456864 170101050 /nfs/dbraw/zinc/10/10/50/170101050.db2.gz YXKCRFOFHHYZTF-IACUBPJLSA-N 0 0 254.333 3.323 10 30 CGEERN COc1cccc(/N=C/c2ccc(OC)c(O)c2)c1 ZINC000005514633 170106863 /nfs/dbraw/zinc/10/68/63/170106863.db2.gz FQNQXPKOAFTVIJ-MHWRWJLKSA-N 0 0 257.289 3.160 10 30 CGEERN Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(C#N)cc1 ZINC000006302957 170189371 /nfs/dbraw/zinc/18/93/71/170189371.db2.gz ZXUJDPNSDZFJMY-ZDUSSCGKSA-N 0 0 280.327 3.273 10 30 CGEERN C=CCNC(=S)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000007520706 170288005 /nfs/dbraw/zinc/28/80/05/170288005.db2.gz JIKMPRQOQLWUDE-IKMFHRHGSA-N 0 0 278.465 3.241 10 30 CGEERN COc1ccc(C=NNc2ccccc2C)cc1O ZINC000007892232 170306545 /nfs/dbraw/zinc/30/65/45/170306545.db2.gz IYWPHQKOSBNURL-MHWRWJLKSA-N 0 0 256.305 3.155 10 30 CGEERN N#Cc1ccc2nc(-c3ccc(N)cc3)sc2c1 ZINC000013522700 170558288 /nfs/dbraw/zinc/55/82/88/170558288.db2.gz MTMJNDVMYUCIMK-UHFFFAOYSA-N 0 0 251.314 3.417 10 30 CGEERN N#Cc1cccc(C(=O)Nc2cc(Cl)ccc2N)c1 ZINC000019268488 170765991 /nfs/dbraw/zinc/76/59/91/170765991.db2.gz PBWGCZMEFCYKSM-UHFFFAOYSA-N 0 0 271.707 3.046 10 30 CGEERN CC(=O)Nc1ccc(NCc2cc(C#N)ccc2F)cc1 ZINC000020038003 170975258 /nfs/dbraw/zinc/97/52/58/170975258.db2.gz KQMOUPKRXKWRPK-UHFFFAOYSA-N 0 0 283.306 3.268 10 30 CGEERN CCN(CCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000020261151 171117778 /nfs/dbraw/zinc/11/77/78/171117778.db2.gz YXXREBCFOXRFEM-UHFFFAOYSA-N 0 0 293.370 3.413 10 30 CGEERN CC(C)c1nnc(SCc2ccc(C#N)cc2)[nH]1 ZINC000021113173 171297839 /nfs/dbraw/zinc/29/78/39/171297839.db2.gz LWDDCVPIXOICPX-UHFFFAOYSA-N 0 0 258.350 3.092 10 30 CGEERN O=C(O/N=C\c1c(F)cccc1F)c1cccnc1Cl ZINC000033376722 171787550 /nfs/dbraw/zinc/78/75/50/171787550.db2.gz JNWLOUJCADJTEA-WSVATBPTSA-N 0 0 296.660 3.204 10 30 CGEERN COC(=O)c1occc1CNc1ccc(Cl)c(C#N)c1 ZINC000035224519 172068700 /nfs/dbraw/zinc/06/87/00/172068700.db2.gz UBDCAPAWPYSBIL-UHFFFAOYSA-N 0 0 290.706 3.203 10 30 CGEERN Cc1n[nH]c(=S)n1N=Cc1ccc(C(C)C)cc1 ZINC000035418141 172190154 /nfs/dbraw/zinc/19/01/54/172190154.db2.gz CNZGRNZJBWALQZ-ZSOIEALJSA-N 0 0 260.366 3.255 10 30 CGEERN C=C(C)COc1ccc(NC(=O)c2cc(C)no2)cc1 ZINC000036562263 172639254 /nfs/dbraw/zinc/63/92/54/172639254.db2.gz QSCIQSVCCCDPMR-UHFFFAOYSA-N 0 0 272.304 3.190 10 30 CGEERN C[C@@H](Nc1ccccc1CO)c1cccc(C#N)c1 ZINC000037317144 173117781 /nfs/dbraw/zinc/11/77/81/173117781.db2.gz SPRZXSUGNDWRCX-GFCCVEGCSA-N 0 0 252.317 3.224 10 30 CGEERN N#C[C@H](C(=O)c1cccc(F)c1)c1cccc(F)c1 ZINC000037346832 173144315 /nfs/dbraw/zinc/14/43/15/173144315.db2.gz JSHQSAUUWDARGX-AWEZNQCLSA-N 0 0 257.239 3.455 10 30 CGEERN N#C[C@]1(NCc2cccs2)CCc2ccccc21 ZINC000037939643 173879093 /nfs/dbraw/zinc/87/90/93/173879093.db2.gz DTHVBGPHZTWQHA-OAHLLOKOSA-N 0 0 254.358 3.203 10 30 CGEERN CN(C(=O)c1ccc(F)cc1)C1(C#N)CCCCC1 ZINC000040418631 174256402 /nfs/dbraw/zinc/25/64/02/174256402.db2.gz KEQDRSQGXIFHRT-UHFFFAOYSA-N 0 0 260.312 3.124 10 30 CGEERN COc1ccc([C@H](C)Nc2ncccc2C#N)cc1OC ZINC000040444501 174264363 /nfs/dbraw/zinc/26/43/63/174264363.db2.gz NUKMPYZKHLSHEZ-NSHDSACASA-N 0 0 283.331 3.144 10 30 CGEERN CC(C)[C@H](C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000044825650 175259349 /nfs/dbraw/zinc/25/93/49/175259349.db2.gz YDQNLRBCFWUVAT-MFKMUULPSA-N 0 0 264.756 3.313 10 30 CGEERN N#CC1(C(=O)N2CCC[C@H]2C2CCCC2)CCCC1 ZINC000045088824 175304818 /nfs/dbraw/zinc/30/48/18/175304818.db2.gz IFBBPXONQWISNN-AWEZNQCLSA-N 0 0 260.381 3.252 10 30 CGEERN COc1c(C#N)cnc2ccc(C(F)(F)F)cc21 ZINC000072236987 176346109 /nfs/dbraw/zinc/34/61/09/176346109.db2.gz KAYYZBIIRAFSQW-UHFFFAOYSA-N 0 0 252.195 3.134 10 30 CGEERN Cc1cc(Br)c2nccc(OCC#N)c2c1 ZINC000072237384 176346305 /nfs/dbraw/zinc/34/63/05/176346305.db2.gz GOTDLVGBMSJVFO-UHFFFAOYSA-N 0 0 277.121 3.208 10 30 CGEERN Cc1nn(C)c(N)c1C(=O)NCc1ccc(C2CCC2)cc1 ZINC000329107580 227302713 /nfs/dbraw/zinc/30/27/13/227302713.db2.gz PFMHWHXBDYBBFZ-UHFFFAOYSA-N 0 0 298.390 3.083 10 30 CGEERN CCn1ncc2ccc(NC(=O)N3CC[C@H]4CCC[C@H]43)cc21 ZINC000330262057 228084769 /nfs/dbraw/zinc/08/47/69/228084769.db2.gz UQIIKQBYHQYMDN-IUODEOHRSA-N 0 0 298.390 3.476 10 30 CGEERN Cc1oc(-c2ccsc2)nc1CN[C@H]1CCC[C@@H]1C#N ZINC000333631090 228207481 /nfs/dbraw/zinc/20/74/81/228207481.db2.gz QYMGBXGMJUPGAJ-YPMHNXCESA-N 0 0 287.388 3.493 10 30 CGEERN C=C(C)COCCNC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000180461112 260102896 /nfs/dbraw/zinc/10/28/96/260102896.db2.gz UBFIGWQYYZMUAB-KGLIPLIRSA-N 0 0 267.413 3.158 10 30 CGEERN Cc1ccc2ncnc(N[C@@H]3CCC[C@H]3C#N)c2c1 ZINC000408086201 260222418 /nfs/dbraw/zinc/22/24/18/260222418.db2.gz HDFWFLHCVFGXGD-WCQYABFASA-N 0 0 252.321 3.042 10 30 CGEERN Cc1cnccc1CCNC(=O)C[C@@H]1CCCCC(=O)N1 ZINC000328677166 263841243 /nfs/dbraw/zinc/84/12/43/263841243.db2.gz SANQRQZCADDNET-AWEZNQCLSA-N 0 0 289.379 3.178 10 30 CGEERN CC(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328758076 263856693 /nfs/dbraw/zinc/85/66/93/263856693.db2.gz VNZFHNVHQJWHDK-SCRDCRAPSA-N 0 0 294.395 3.046 10 30 CGEERN CCC1CCC(NC(=O)N[C@@H]2CCO[C@@H]2C2CC2)CC1 ZINC000328835924 263876766 /nfs/dbraw/zinc/87/67/66/263876766.db2.gz MPADJKCLXFVCFE-UZVIJOLCSA-N 0 0 280.412 3.026 10 30 CGEERN COC(=O)c1sc(SC)c2c1CC(C)(C)C/C2=N\O ZINC000013658441 277174596 /nfs/dbraw/zinc/17/45/96/277174596.db2.gz SJOCPYUKFOTDAN-RIYZIHGNSA-N 0 0 299.417 3.407 10 30 CGEERN C[C@@H]1CN(c2cc(Cl)ccc2C#N)CCS1 ZINC000122810992 277914586 /nfs/dbraw/zinc/91/45/86/277914586.db2.gz ZSDWKTNGCDRJFB-SECBINFHSA-N 0 0 252.770 3.153 10 30 CGEERN CC1(C)CC[C@H](C(=O)N[C@@H]2CCc3ccccc3C2=O)O1 ZINC000330245537 281117417 /nfs/dbraw/zinc/11/74/17/281117417.db2.gz XUFGBVJNBSWDPO-ZIAGYGMSSA-N 0 0 287.359 3.098 10 30 CGEERN O/N=C/[C@@]1(c2nccc3ccccc32)C=CC=CC1 ZINC000100290360 295390273 /nfs/dbraw/zinc/39/02/73/295390273.db2.gz JZBXIZFZADYXNF-YAJBTMAUSA-N 0 0 250.301 3.449 10 30 CGEERN O=C(CN1NC(=O)CC12CCCCC2)NC1CCCC1 ZINC000329631349 303516549 /nfs/dbraw/zinc/51/65/49/303516549.db2.gz WMGGSXOQDYNQBL-UHFFFAOYSA-N 0 0 279.384 3.166 10 30 CGEERN CCC[C@H](NCc1cc(C#N)cs1)C(=O)OC(C)(C)C ZINC000156580306 321783850 /nfs/dbraw/zinc/78/38/50/321783850.db2.gz JGFQKGNSHINZQU-ZDUSSCGKSA-N 0 0 294.420 3.220 10 30 CGEERN CCCCCCCCC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000171579623 329077779 /nfs/dbraw/zinc/07/77/79/329077779.db2.gz UNSSSZJYNYHXRC-HNNXBMFYSA-N 0 0 292.427 3.192 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1cc(Cl)sc1Cl ZINC000225119366 329247563 /nfs/dbraw/zinc/24/75/63/329247563.db2.gz CKAUAWCSJHPMDA-XPUUQOCRSA-N 0 0 289.187 3.477 10 30 CGEERN CC(C)(C)c1ncc(CN[C@@H]2CCC[C@@H]2C#N)s1 ZINC000062839089 329353147 /nfs/dbraw/zinc/35/31/47/329353147.db2.gz KKUUVBNJJSBEJR-ZYHUDNBSSA-N 0 0 263.410 3.222 10 30 CGEERN C=CCN(CC=C)C(=O)N[C@H]1CCOc2c(C)cccc21 ZINC000188612630 329371273 /nfs/dbraw/zinc/37/12/73/329371273.db2.gz LLBHLKYMIWTJBV-HNNXBMFYSA-N 0 0 286.375 3.202 10 30 CGEERN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CC[C@H](C)O1 ZINC000123724851 329561976 /nfs/dbraw/zinc/56/19/76/329561976.db2.gz FPOMRXROLNJQMP-CMPLNLGQSA-N 0 0 299.823 3.484 10 30 CGEERN CC(C)Cc1ccc([C@@H](C)NC(=O)CSCC#N)cc1 ZINC000041765157 329567729 /nfs/dbraw/zinc/56/77/29/329567729.db2.gz FUIPAJADPSKPQS-CYBMUJFWSA-N 0 0 290.432 3.319 10 30 CGEERN CCCCCCCCC(=O)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000252018474 329937472 /nfs/dbraw/zinc/93/74/72/329937472.db2.gz YLFGAWKOFIVOFS-RRFJBIMHSA-N 0 0 267.413 3.421 10 30 CGEERN COc1cc(CN[C@H]2CCC[C@@H]2C#N)ccc1Cl ZINC000459456269 331282173 /nfs/dbraw/zinc/28/21/73/331282173.db2.gz FOKYFMNEJJSPFE-YPMHNXCESA-N 0 0 264.756 3.130 10 30 CGEERN C=CCSCCNC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000172879944 332950587 /nfs/dbraw/zinc/95/05/87/332950587.db2.gz BJJIMNVVAQJTMA-KBPBESRZSA-N 0 0 267.438 3.238 10 30 CGEERN C=CCN(CC1CCCCC1)C(=O)[C@@H]1CCCO[C@H]1C ZINC000191630978 333222569 /nfs/dbraw/zinc/22/25/69/333222569.db2.gz LYJNBCWBLDCESQ-GOEBONIOSA-N 0 0 279.424 3.396 10 30 CGEERN C=CCOc1ccccc1C(=O)N[C@H]1COc2ccccc21 ZINC000194878789 333278539 /nfs/dbraw/zinc/27/85/39/333278539.db2.gz ZHEUHBILXTVHGC-HNNXBMFYSA-N 0 0 295.338 3.115 10 30 CGEERN CCN[C@@H](C#N)CCOc1cc(C(C)C)ccc1C ZINC000062448335 520059078 /nfs/dbraw/zinc/05/90/78/520059078.db2.gz HBEZYHOQSJOOKP-OAHLLOKOSA-N 0 0 260.381 3.389 10 30 CGEERN CCCC[C@H](CC)COCC[C@H](C#N)NC(C)C ZINC000062442308 521181062 /nfs/dbraw/zinc/18/10/62/521181062.db2.gz YXKPKQPUKMLOOI-LSDHHAIUSA-N 0 0 254.418 3.500 10 30 CGEERN CC[C@H](Nc1ncc(N)cc1C#N)c1cccs1 ZINC000049529254 522777967 /nfs/dbraw/zinc/77/79/67/522777967.db2.gz NQPIFFOVHYQKRE-NSHDSACASA-N 0 0 258.350 3.160 10 30 CGEERN CC[C@@H]1CCCN(c2ccc(Cl)cc2/C(N)=N/O)C1 ZINC000052860560 523255253 /nfs/dbraw/zinc/25/52/53/523255253.db2.gz ILRGXRMBHNOCOM-SNVBAGLBSA-N 0 0 281.787 3.061 10 30 CGEERN Cc1cc(Sc2ccc(O)cc2)c(C#N)c(C)n1 ZINC000156542534 525441281 /nfs/dbraw/zinc/44/12/81/525441281.db2.gz YSPMSCUFEAWOQB-UHFFFAOYSA-N 0 0 256.330 3.427 10 30 CGEERN C[C@H](c1cccs1)N(C)c1ccc(C#N)cc1N ZINC000049727128 526154810 /nfs/dbraw/zinc/15/48/10/526154810.db2.gz QMUWSXMNFVULCA-SNVBAGLBSA-N 0 0 257.362 3.399 10 30 CGEERN N#C[C@H](Nc1ccc(Br)cc1)C1CCOCC1 ZINC000052178722 526510133 /nfs/dbraw/zinc/51/01/33/526510133.db2.gz QDLNBPZXWDOSDE-ZDUSSCGKSA-N 0 0 295.180 3.180 10 30 CGEERN CCCc1nc(C)c(CNC(=O)N2C[C@@H]3CCC[C@H]3C2)o1 ZINC000330240613 528717104 /nfs/dbraw/zinc/71/71/04/528717104.db2.gz FIYAGJDLSNJFLX-STQMWFEESA-N 0 0 291.395 3.081 10 30 CGEERN CC1(C)CC[C@H](CNC(=O)C[C@@H]2CCCCNC2=O)O1 ZINC000329531338 529038490 /nfs/dbraw/zinc/03/84/90/529038490.db2.gz WKOOWUCXSBCVCK-NWDGAFQWSA-N 0 0 282.384 3.047 10 30 CGEERN CC[C@H](OC(=O)c1cc(C#N)cn1C)c1ccc(F)cc1 ZINC000176119920 618404218 /nfs/dbraw/zinc/40/42/18/618404218.db2.gz XZZZJLWUYLJMRQ-HNNXBMFYSA-N 0 0 286.306 3.344 10 30 CGEERN CCCCCCCCC(=O)N[C@H]1CCCC[C@H]1CO ZINC000230178277 623218196 /nfs/dbraw/zinc/21/81/96/623218196.db2.gz RCZQKZNCIZGPOX-GJZGRUSLSA-N 0 0 269.429 3.404 10 30 CGEERN CCOc1ccc([C@H](CC=O)NC(=O)OC(C)(C)C)cc1 ZINC000238296237 624759795 /nfs/dbraw/zinc/75/97/95/624759795.db2.gz PEVMWZLSNBWJSB-AWEZNQCLSA-N 0 0 293.363 3.240 10 30 CGEERN C#CCCCCNC(=O)N[C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000181452114 624860523 /nfs/dbraw/zinc/86/05/23/624860523.db2.gz JZIGSLVAEHJMGB-WMLDXEAASA-N 0 0 284.403 3.331 10 30 CGEERN C#Cc1cccc(N(C)C(=O)c2cccc3ncccc32)c1 ZINC000103031787 626203369 /nfs/dbraw/zinc/20/33/69/626203369.db2.gz VSOUGFZZSNYVIX-UHFFFAOYSA-N 0 0 286.334 3.493 10 30 CGEERN C=CCCC(=O)OCc1ccc(OCC)c(OCC)c1 ZINC000102220721 634635562 /nfs/dbraw/zinc/63/55/62/634635562.db2.gz ZBEGTZAPIWKBMD-UHFFFAOYSA-N 0 0 278.348 3.493 10 30 CGEERN C=CCCO[C@H](C)C(=O)O[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000119665921 629682862 /nfs/dbraw/zinc/68/28/62/629682862.db2.gz DOLFCTXILQSUNP-RBSFLKMASA-N 0 0 296.407 3.249 10 30 CGEERN COc1ccc(C[C@H](C)OC(=O)c2cccc(C#N)c2)cc1 ZINC000077562973 640246785 /nfs/dbraw/zinc/24/67/85/640246785.db2.gz AFVXINGPFPJVMB-ZDUSSCGKSA-N 0 0 295.338 3.355 10 30 CGEERN CCC1CC(=O)C(=CN[C@@H](C)c2ccccc2C)C(=O)C1 ZINC000194961732 640561640 /nfs/dbraw/zinc/56/16/40/640561640.db2.gz RWPOIHMJHIUGBE-LSLKUGRBSA-N 0 0 285.387 3.488 10 30 CGEERN CC[C@H](Cc1ccccc1)OC(=O)c1cc(C#N)cn1C ZINC000083769954 640600146 /nfs/dbraw/zinc/60/01/46/640600146.db2.gz FAFBQIWXCIBJLN-OAHLLOKOSA-N 0 0 282.343 3.075 10 30 CGEERN COc1cccc([C@@H]2C[C@@H]2C(=O)O[C@@H](C)C(C)(C)C#N)c1 ZINC000245564683 640627730 /nfs/dbraw/zinc/62/77/30/640627730.db2.gz WHCLMITWCBZCTP-CQDKDKBSSA-N 0 0 287.359 3.280 10 30 CGEERN COc1ccc(O)cc1C(=O)/C=C\c1ccc(O)cc1 ZINC000588410322 799689872 /nfs/dbraw/zinc/68/98/72/799689872.db2.gz ARMDSJVGHCGGIS-YWEYNIOJSA-N 0 0 270.284 3.003 10 30 CGEERN COc1ccc(O)cc1C(=O)/C=C\c1cccc2c1OCO2 ZINC000588409743 799689959 /nfs/dbraw/zinc/68/99/59/799689959.db2.gz VKFVNXYIUHHWLA-ALCCZGGFSA-N 0 0 298.294 3.026 10 30 CGEERN CC(C)(CC#N)COC(=O)/C=C\c1ccnc(Cl)c1 ZINC000588467334 926768138 /nfs/dbraw/zinc/76/81/38/926768138.db2.gz ZVZRSOYZKTXOGV-ARJAWSKDSA-N 0 0 278.739 3.231 10 30 CGEERN C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cc(C(=O)[O-])c(C)[nH]1 ZINC000692228673 976407765 /nfs/dbraw/zinc/40/77/65/976407765.db2.gz ZBOYVQNRFKDQKJ-SWLSCSKDSA-N 0 0 276.380 3.246 10 30 CGEERN C=CC[C@@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2F)C1 ZINC000703674303 977175955 /nfs/dbraw/zinc/17/59/55/977175955.db2.gz NNOLVPJGYJIODV-GFCCVEGCSA-N 0 0 277.339 3.312 10 30 CGEERN CCOC(=O)[C@]1(CCCCCc2ccccc2)CO1 ZINC000001853743 344856241 /nfs/dbraw/zinc/85/62/41/344856241.db2.gz NMLJNUQEDFUFOS-INIZCTEOSA-N 0 0 262.349 3.122 10 30 CGEERN N#C[C@]12O[C@H]1CCC2(c1ccccc1)c1ccccc1 ZINC000001564902 344856630 /nfs/dbraw/zinc/85/66/30/344856630.db2.gz FALYIIWADGPXEC-WMZOPIPTSA-N 0 0 261.324 3.428 10 30 CGEERN CCOc1cc(CC#N)cc(OC)c1SCC ZINC000037628197 344952128 /nfs/dbraw/zinc/95/21/28/344952128.db2.gz KQYUAJRLRQUHKM-UHFFFAOYSA-N 0 0 251.351 3.272 10 30 CGEERN C#CC[C@](C#N)(c1ccc(OC)c(OC)c1)C(C)C ZINC000038419042 344955754 /nfs/dbraw/zinc/95/57/54/344955754.db2.gz AGEZRLDTNOHICU-MRXNPFEDSA-N 0 0 257.333 3.144 10 30 CGEERN N#Cc1c(N)cc(C(F)(F)F)cc1C(F)(F)F ZINC000039647854 344960871 /nfs/dbraw/zinc/96/08/71/344960871.db2.gz UAQHVBUYWYKCFB-UHFFFAOYSA-N 0 0 254.133 3.178 10 30 CGEERN Cc1ccc(Br)cc1NC1=NCCS1 ZINC000037368806 344949954 /nfs/dbraw/zinc/94/99/54/344949954.db2.gz ZYPFGRUEXAUPKZ-UHFFFAOYSA-N 0 0 271.183 3.081 10 30 CGEERN COc1ccc(-c2ccc(C#N)cc2C)cc1C=O ZINC000090563255 345790850 /nfs/dbraw/zinc/79/08/50/345790850.db2.gz XULXHHNDTAYTBL-UHFFFAOYSA-N 0 0 251.285 3.355 10 30 CGEERN C[C@H](C#N)CNc1cc(C#N)c2cc(Cl)ccc2n1 ZINC000092658625 345850193 /nfs/dbraw/zinc/85/01/93/345850193.db2.gz OHTHISNXHJSVBP-SECBINFHSA-N 0 0 270.723 3.331 10 30 CGEERN C[C@@H](C#N)CNc1cc(C#N)c2cc(Cl)ccc2n1 ZINC000092658626 345850367 /nfs/dbraw/zinc/85/03/67/345850367.db2.gz OHTHISNXHJSVBP-VIFPVBQESA-N 0 0 270.723 3.331 10 30 CGEERN CN(OCc1ccccc1)c1ccc([N+](=O)[O-])cc1C#N ZINC000092826243 345860048 /nfs/dbraw/zinc/86/00/48/345860048.db2.gz JUVXHGBIGJBPGU-UHFFFAOYSA-N 0 0 283.287 3.034 10 30 CGEERN CCC(CC)(C(=O)N[C@H](C)C#N)c1ccc(Cl)cc1 ZINC000102638161 345918027 /nfs/dbraw/zinc/91/80/27/345918027.db2.gz IICJBJLTCCDBFA-LLVKDONJSA-N 0 0 278.783 3.426 10 30 CGEERN Cc1ccc(C(=O)[C@@H](C)C#N)c(Br)c1 ZINC000129537475 346050333 /nfs/dbraw/zinc/05/03/33/346050333.db2.gz BJCWLMHRGHNEGE-QMMMGPOBSA-N 0 0 252.111 3.100 10 30 CGEERN C=C(C)CN(CC)C(=O)N[C@@H](C)c1ccc(C)o1 ZINC000127462548 346031790 /nfs/dbraw/zinc/03/17/90/346031790.db2.gz MBAPNGNVQVYPBH-LBPRGKRZSA-N 0 0 250.342 3.257 10 30 CGEERN N#Cc1cccc(OCn2ccc3ccc(N)cc32)c1 ZINC000142180397 346110628 /nfs/dbraw/zinc/11/06/28/346110628.db2.gz ZWJZJKZMKJXOKV-UHFFFAOYSA-N 0 0 263.300 3.132 10 30 CGEERN N#CCc1ccc(I)cc1Cl ZINC000143249668 346113678 /nfs/dbraw/zinc/11/36/78/346113678.db2.gz YAIJMOZSFLZURF-UHFFFAOYSA-N 0 0 277.492 3.011 10 30 CGEERN N#Cc1ccccc1N[C@@H]1CCC[C@H]2CCCC[C@@]21O ZINC000144773338 346119146 /nfs/dbraw/zinc/11/91/46/346119146.db2.gz VQDOVUMVFQKHEG-DJIMGWMZSA-N 0 0 270.376 3.444 10 30 CGEERN CC#CCSc1ccc(N)cc1Br ZINC000148243327 346127643 /nfs/dbraw/zinc/12/76/43/346127643.db2.gz DYEOOQQRNDSFBC-UHFFFAOYSA-N 0 0 256.168 3.147 10 30 CGEERN CC(C)=CC(=O)c1ccccc1I ZINC000169158208 346191815 /nfs/dbraw/zinc/19/18/15/346191815.db2.gz ZHHIDMVAQBLPDB-UHFFFAOYSA-N 0 0 286.112 3.440 10 30 CGEERN N#Cc1cn(Cc2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000085346125 179028775 /nfs/dbraw/zinc/02/87/75/179028775.db2.gz IXISXDUWZWGRMU-UHFFFAOYSA-N 0 0 296.276 3.200 10 30 CGEERN C=C[C@@H](C)Nc1ccc(F)cc1I ZINC000235245825 346334292 /nfs/dbraw/zinc/33/42/92/346334292.db2.gz CTPCGYCNHWGMQX-SSDOTTSWSA-N 0 0 291.107 3.417 10 30 CGEERN C#CC[C@@H](CC)Nc1nc(Cl)ncc1Br ZINC000229318229 346316838 /nfs/dbraw/zinc/31/68/38/346316838.db2.gz GOZULQGHJLDZKI-SSDOTTSWSA-N 0 0 288.576 3.106 10 30 CGEERN C#C[C@H](CCC)Nc1cccc(Br)n1 ZINC000230021817 346319263 /nfs/dbraw/zinc/31/92/63/346319263.db2.gz JNHHERRNXBRNHO-SECBINFHSA-N 0 0 253.143 3.058 10 30 CGEERN N#Cc1ccc(NC/C=C/Cl)c(Br)c1 ZINC000236016052 346338370 /nfs/dbraw/zinc/33/83/70/346338370.db2.gz AZHPYQYJMJLUOO-DAFODLJHSA-N 0 0 271.545 3.485 10 30 CGEERN CCOC(=O)c1ccc(/N=C/c2ccc(C#N)cc2)cc1 ZINC000100031679 185702382 /nfs/dbraw/zinc/70/23/82/185702382.db2.gz XQRRVYPOVBOYIW-XDHOZWIPSA-N 0 0 278.311 3.486 10 30 CGEERN N#CCc1cnc(C(F)(F)F)cc1C(F)(F)F ZINC000514263708 346636252 /nfs/dbraw/zinc/63/62/52/346636252.db2.gz ZHRMUEYWNLVZDE-UHFFFAOYSA-N 0 0 254.133 3.185 10 30 CGEERN CN(C)/C=C1\C(=O)CC[C@@H]1c1ccc(Cl)c(F)c1 ZINC000584644659 346703371 /nfs/dbraw/zinc/70/33/71/346703371.db2.gz PRYIHEKZKQFYFC-UBYNWHESSA-N 0 0 267.731 3.371 10 30 CGEERN C=CC[C@H](Cc1ccccc1Cl)NC(=O)OC ZINC000584600939 346689001 /nfs/dbraw/zinc/68/90/01/346689001.db2.gz VZJWTELRCLYUKI-LLVKDONJSA-N 0 0 253.729 3.183 10 30 CGEERN O/N=C(/c1ccccn1)c1cccc(Br)c1F ZINC000584609311 346691782 /nfs/dbraw/zinc/69/17/82/346691782.db2.gz HZMWNYGRGUEFCH-FOWTUZBSSA-N 0 0 295.111 3.210 10 30 CGEERN N#Cc1ncc(F)c(-c2ccc(C(F)(F)F)nc2)c1F ZINC000584613105 346693195 /nfs/dbraw/zinc/69/31/95/346693195.db2.gz ASZPNXPOBOJNAH-UHFFFAOYSA-N 0 0 285.175 3.312 10 30 CGEERN C=CCNC(=O)c1ccc(-c2ccc(Cl)cc2)[nH]c1=O ZINC000584631918 346699131 /nfs/dbraw/zinc/69/91/31/346699131.db2.gz FCDNRAQFEWOPHY-UHFFFAOYSA-N 0 0 288.734 3.023 10 30 CGEERN N#C[C@@H](c1cccnc1)[C@H](CCO)c1c(F)cccc1F ZINC000584633656 346700468 /nfs/dbraw/zinc/70/04/68/346700468.db2.gz YQVODFBLVMAOTQ-STQMWFEESA-N 0 0 288.297 3.133 10 30 CGEERN N#C[C@H]1CCCC[C@@H]1NCc1cccnc1C(F)(F)F ZINC000599465968 347746905 /nfs/dbraw/zinc/74/69/05/347746905.db2.gz WTUZENJZKJVHMZ-PWSUYJOCSA-N 0 0 283.297 3.272 10 30 CGEERN CC(=O)N1C[C@@H](c2cccc(C#N)c2)Nc2ccccc21 ZINC000616584358 348835874 /nfs/dbraw/zinc/83/58/74/348835874.db2.gz QHVINVKODIETFJ-INIZCTEOSA-N 0 0 277.327 3.078 10 30 CGEERN CC(C)N(CC(F)(F)F)c1ccc(F)cc1C#N ZINC000104238305 185939638 /nfs/dbraw/zinc/93/96/38/185939638.db2.gz SBWDTGNUUHLHRB-UHFFFAOYSA-N 0 0 260.234 3.474 10 30 CGEERN CC(C)(C)OC(=O)N[C@@H](CC=O)c1cccc(Cl)c1 ZINC000091692772 180228684 /nfs/dbraw/zinc/22/86/84/180228684.db2.gz VKVYYFUIVFEUNZ-LBPRGKRZSA-N 0 0 283.755 3.495 10 30 CGEERN N#Cc1ccsc1C(=O)N[C@H]1CCCc2ccccc21 ZINC000052027969 137917521 /nfs/dbraw/zinc/91/75/21/137917521.db2.gz FSVMHSUVPNTMBY-AWEZNQCLSA-N 0 0 282.368 3.427 10 30 CGEERN N#Cc1ccc(N[C@H]2CCOc3ccccc32)cc1 ZINC000019951616 283181417 /nfs/dbraw/zinc/18/14/17/283181417.db2.gz PVHCLZHSCGNLSQ-HNNXBMFYSA-N 0 0 250.301 3.494 10 30 CGEERN Cc1cc(C#N)ccc1C(=O)N1CCC[C@@H]1c1ccco1 ZINC000123543183 138368169 /nfs/dbraw/zinc/36/81/69/138368169.db2.gz XTXUMRGQLKVLBN-OAHLLOKOSA-N 0 0 280.327 3.437 10 30 CGEERN N#Cc1nc(N2CCC[C@@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000302717543 283249137 /nfs/dbraw/zinc/24/91/37/283249137.db2.gz KAFQLIGHJOKEKO-WCQYABFASA-N 0 0 286.335 3.020 10 30 CGEERN C=CC[C@@H](C)NC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000176861469 189011665 /nfs/dbraw/zinc/01/16/65/189011665.db2.gz ZORYILJFZMNWHG-ZIAGYGMSSA-N 0 0 298.390 3.197 10 30 CGEERN N#Cc1ccc(NCc2ccnc3ccccc23)nc1 ZINC000301547949 201063583 /nfs/dbraw/zinc/06/35/83/201063583.db2.gz PXGMENRDMNIDTO-UHFFFAOYSA-N 0 0 260.300 3.114 10 30 CGEERN CC[S@](=O)[C@@H]1CCC[C@@H](Nc2ccc(F)cc2C#N)C1 ZINC000301592935 201085362 /nfs/dbraw/zinc/08/53/62/201085362.db2.gz XYCYUFRWPIPKNK-JZKQVHKSSA-N 0 0 294.395 3.189 10 30 CGEERN N#Cc1ccc(N(C[C@H](O)c2ccc(F)cc2)C2CC2)cc1 ZINC000120294023 370755839 /nfs/dbraw/zinc/75/58/39/370755839.db2.gz PIDKPKLXRBSVPB-SFHVURJKSA-N 0 0 296.345 3.400 10 30 CGEERN Cc1ccc(NC(=S)N/N=C/c2ccc(F)cc2)cc1 ZINC000000524119 368382901 /nfs/dbraw/zinc/38/29/01/368382901.db2.gz YMQXYAWEMNVMCS-LICLKQGHSA-N 0 0 287.363 3.455 10 30 CGEERN C(=NNc1nc(-c2ccccc2)cs1)c1ccco1 ZINC000015919497 368704461 /nfs/dbraw/zinc/70/44/61/368704461.db2.gz OLGQAKIYYSJBGL-DHDCSXOGSA-N 0 0 269.329 3.271 10 30 CGEERN CC(C)N(O)C(=O)/C=C/c1ccc2ccccc2c1 ZINC000027656475 368874317 /nfs/dbraw/zinc/87/43/17/368874317.db2.gz YSPUHKNSTMTKLQ-CSKARUKUSA-N 0 0 255.317 3.479 10 30 CGEERN N#C[C@H](C(=O)c1cccnc1)c1ccccc1Cl ZINC000044268091 369258751 /nfs/dbraw/zinc/25/87/51/369258751.db2.gz VQEZQDAGLIYQHN-LBPRGKRZSA-N 0 0 256.692 3.225 10 30 CGEERN O=C(/C=C/c1ccccc1)C(F)(F)C(F)(F)F ZINC000049088070 369387366 /nfs/dbraw/zinc/38/73/66/369387366.db2.gz GMJFGXJEBRTOSD-VOTSOKGWSA-N 0 0 250.166 3.467 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NCc1ccccc1Br ZINC000054826351 369507985 /nfs/dbraw/zinc/50/79/85/369507985.db2.gz CCSWOHIQXMGTCK-GXFFZTMASA-N 0 0 279.181 3.231 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NCc1ccc(F)c(Br)c1 ZINC000061891287 369610995 /nfs/dbraw/zinc/61/09/95/369610995.db2.gz DSQAAUFLIMKZCW-MFKMUULPSA-N 0 0 297.171 3.370 10 30 CGEERN C[C@H](N[C@H]1CCC[C@@H]1C#N)c1ccc(F)cc1F ZINC000061891214 369611205 /nfs/dbraw/zinc/61/12/05/369611205.db2.gz WQZQYVLKLZFARL-RBZYPMLTSA-N 0 0 250.292 3.308 10 30 CGEERN Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2C#N)cc1Cl ZINC000063021705 369636802 /nfs/dbraw/zinc/63/68/02/369636802.db2.gz RGNGBVPCMJSLIX-WCQYABFASA-N 0 0 262.740 3.071 10 30 CGEERN S[C@H]1CCOC[C@H]1Cc1ccc(Br)cc1 ZINC000095078952 370171096 /nfs/dbraw/zinc/17/10/96/370171096.db2.gz JDEILJTZNQLHJT-PWSUYJOCSA-N 0 0 287.222 3.327 10 30 CGEERN CC(C)(C)[S@@](=O)/N=C/c1ccc(F)c(Cl)c1 ZINC000098095559 370264367 /nfs/dbraw/zinc/26/43/67/370264367.db2.gz GUDLTDKMESOPIZ-KAMPRCONSA-N 0 0 261.749 3.360 10 30 CGEERN FC(F)(F)OCC(F)(F)C(F)(F)C(F)(F)F ZINC000101966028 370297506 /nfs/dbraw/zinc/29/75/06/370297506.db2.gz VNPZAHOTELVNST-UHFFFAOYSA-N 0 0 268.050 3.356 10 30 CGEERN C[C@H]1C[C@H]1Nc1ccc(C#N)cc1Br ZINC000134785776 371364174 /nfs/dbraw/zinc/36/41/74/371364174.db2.gz RRFHRWKXTCANGM-WRWORJQWSA-N 0 0 251.127 3.141 10 30 CGEERN CCc1cnc([C@@H](C)Nc2cccc(C#N)n2)s1 ZINC000134929133 371376832 /nfs/dbraw/zinc/37/68/32/371376832.db2.gz IFRMXNCWCONTRS-SECBINFHSA-N 0 0 258.350 3.145 10 30 CGEERN C[C@@H]1OCC[C@@H]1Nc1ccc(C(F)(F)F)cc1C#N ZINC000149797835 371531019 /nfs/dbraw/zinc/53/10/19/371531019.db2.gz BSIPNJHEQWZARI-KWQFWETISA-N 0 0 270.254 3.166 10 30 CGEERN C=CC[C@H](C)[C@H](C)N[C@H](C(=O)OC)c1ccccc1 ZINC000154484921 371850253 /nfs/dbraw/zinc/85/02/53/371850253.db2.gz RJYCCWFGERXWLS-YDHLFZDLSA-N 0 0 261.365 3.091 10 30 CGEERN Cc1ccc([C@@H](O)CNc2cc(C)nc(C)c2C#N)cc1 ZINC000160486185 372252410 /nfs/dbraw/zinc/25/24/10/372252410.db2.gz NXFMUPNGPAQJOY-KRWDZBQOSA-N 0 0 281.359 3.024 10 30 CGEERN C=CCCC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000168694639 372617710 /nfs/dbraw/zinc/61/77/10/372617710.db2.gz QTHLGJGOYSLFDK-LBPRGKRZSA-N 0 0 271.282 3.242 10 30 CGEERN CCc1nccn1[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000171613476 372795859 /nfs/dbraw/zinc/79/58/59/372795859.db2.gz HBELICOODZNNHJ-KRWDZBQOSA-N 0 0 294.402 3.154 10 30 CGEERN C[C@H](CC1CC1)NC(=O)Nc1ccc(F)cc1C#N ZINC000177900737 373725353 /nfs/dbraw/zinc/72/53/53/373725353.db2.gz NOHSMHGVYNCMSH-SECBINFHSA-N 0 0 261.300 3.007 10 30 CGEERN Cc1csc(CN(C)c2ccc(C#N)cc2F)n1 ZINC000301300508 373737083 /nfs/dbraw/zinc/73/70/83/373737083.db2.gz URJOSQMKKHIBJP-UHFFFAOYSA-N 0 0 261.325 3.099 10 30 CGEERN CC[C@@H](CCO)Nc1cc(C#N)c2cc(Cl)ccc2n1 ZINC000301337236 373750323 /nfs/dbraw/zinc/75/03/23/373750323.db2.gz GYRNKZRWOMZQHL-LBPRGKRZSA-N 0 0 289.766 3.333 10 30 CGEERN N#Cc1ccc(Oc2ccc3c(c2)CCC3=O)c([N+](=O)[O-])c1 ZINC000302531450 373889727 /nfs/dbraw/zinc/88/97/27/373889727.db2.gz LLTUQAPUCNHLPU-UHFFFAOYSA-N 0 0 294.266 3.388 10 30 CGEERN C[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328736627 374378828 /nfs/dbraw/zinc/37/88/28/374378828.db2.gz JURLCFFZGWEHMR-FRRDWIJNSA-N 0 0 293.411 3.110 10 30 CGEERN O=C(CCC1CCOCC1)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328757055 374380341 /nfs/dbraw/zinc/38/03/41/374380341.db2.gz UTWDUJPOJIDTAW-CYBMUJFWSA-N 0 0 294.395 3.191 10 30 CGEERN CC[C@]1(C)C[C@@H]1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000328876406 374389349 /nfs/dbraw/zinc/38/93/49/374389349.db2.gz KDXDCASYYADONG-UQFNBPPOSA-N 0 0 264.369 3.277 10 30 CGEERN N#Cc1ccc(N2CC=C(c3ccccc3F)CC2)cn1 ZINC000183964447 374477798 /nfs/dbraw/zinc/47/77/98/374477798.db2.gz OVRZHLPCFOUBJL-UHFFFAOYSA-N 0 0 279.318 3.386 10 30 CGEERN C#C[C@H](C)NC(=O)[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000185983340 374779790 /nfs/dbraw/zinc/77/97/90/374779790.db2.gz HHDJJNKPJJLJDE-MAZHCROVSA-N 0 0 255.361 3.051 10 30 CGEERN C=C(C)CS(=O)(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000188248883 375183888 /nfs/dbraw/zinc/18/38/88/375183888.db2.gz OSQZUXXIJKEIRE-ZDUSSCGKSA-N 0 0 289.400 3.396 10 30 CGEERN C[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(C#N)n2)CC1 ZINC000235364108 376638957 /nfs/dbraw/zinc/63/89/57/376638957.db2.gz FFEHUWDBWNXWFB-MNOVXSKESA-N 0 0 274.324 3.242 10 30 CGEERN Cc1cnc([C@H](C)Nc2nc3c(cc2C#N)CCCC3)o1 ZINC000235525911 376644279 /nfs/dbraw/zinc/64/42/79/376644279.db2.gz OBECETMNDWVWMN-NSHDSACASA-N 0 0 282.347 3.302 10 30 CGEERN C[C@H](N[C@@H]1CCC[C@H]1C#N)c1cc(F)ccc1F ZINC000252440434 377621814 /nfs/dbraw/zinc/62/18/14/377621814.db2.gz HFUSOIQUHGGTPN-PKFCDNJMSA-N 0 0 250.292 3.308 10 30 CGEERN Cc1cc(C)c(C=Nc2cccc(C(N)=O)c2)c(C)c1 ZINC000254867330 377714911 /nfs/dbraw/zinc/71/49/11/377714911.db2.gz GCCRXEBBFWKXEI-UHFFFAOYSA-N 0 0 266.344 3.461 10 30 CGEERN Cc1nc(C#N)cc(-c2cccc(Br)c2)n1 ZINC000259376585 377805004 /nfs/dbraw/zinc/80/50/04/377805004.db2.gz RBPFOJPAJZCDTB-UHFFFAOYSA-N 0 0 274.121 3.086 10 30 CGEERN COC(=O)c1cc(F)cc(SC(F)(F)F)c1C#N ZINC000575390751 377900132 /nfs/dbraw/zinc/90/01/32/377900132.db2.gz XRTVJIXTSLRALI-UHFFFAOYSA-N 0 0 279.214 3.096 10 30 CGEERN CCOC(=O)c1c(Cl)cc(OC(F)(F)F)cc1C#N ZINC000575382929 377892696 /nfs/dbraw/zinc/89/26/96/377892696.db2.gz TYCMAZRLPARJHE-UHFFFAOYSA-N 0 0 293.628 3.287 10 30 CGEERN CCOC(=O)c1ccc(C#N)c(Cl)c1C(F)(F)F ZINC000575383453 377893866 /nfs/dbraw/zinc/89/38/66/377893866.db2.gz WBRQTAJEZYZXKT-UHFFFAOYSA-N 0 0 277.629 3.407 10 30 CGEERN CCOC(=O)Cc1ccc(C#N)c(Cl)c1C(F)(F)F ZINC000575383285 377894024 /nfs/dbraw/zinc/89/40/24/377894024.db2.gz NGWHPXIDBSPXKC-UHFFFAOYSA-N 0 0 291.656 3.336 10 30 CGEERN COC(=O)c1c(C#N)ccc(Cl)c1C(F)(F)F ZINC000575383339 377894100 /nfs/dbraw/zinc/89/41/00/377894100.db2.gz QDMFLTWFVVRPHN-UHFFFAOYSA-N 0 0 263.602 3.017 10 30 CGEERN CCOC(=O)Cc1ccc(C#N)c(C(F)(F)F)c1CC ZINC000575389843 377897312 /nfs/dbraw/zinc/89/73/12/377897312.db2.gz RMDNICWBQHNDLE-UHFFFAOYSA-N 0 0 285.265 3.245 10 30 CGEERN CCOC(=O)Cc1cc(C(F)F)cc(C#N)c1CC ZINC000575389745 377897605 /nfs/dbraw/zinc/89/76/05/377897605.db2.gz OMEZZWOABTVLBS-UHFFFAOYSA-N 0 0 267.275 3.164 10 30 CGEERN O=C(/C=C/Cl)c1ccccc1I ZINC000575500091 377916231 /nfs/dbraw/zinc/91/62/31/377916231.db2.gz CSLUUERAVGPMMR-AATRIKPKSA-N 0 0 292.503 3.226 10 30 CGEERN N#Cc1cc2ccc(I)cc2s1 ZINC000575625163 377922743 /nfs/dbraw/zinc/92/27/43/377922743.db2.gz YPYXOFMYGSEFDG-UHFFFAOYSA-N 0 0 285.109 3.378 10 30 CGEERN CCOc1cc(CC#N)c(OCC)cc1Br ZINC000575681435 377955723 /nfs/dbraw/zinc/95/57/23/377955723.db2.gz VMSNHZUYMJYSIM-UHFFFAOYSA-N 0 0 284.153 3.313 10 30 CGEERN N#CCc1c(OC(F)F)cc(C(F)F)cc1[N+](=O)[O-] ZINC000575652345 377929552 /nfs/dbraw/zinc/92/95/52/377929552.db2.gz DRZVOKSWVIYNDO-UHFFFAOYSA-N 0 0 278.161 3.200 10 30 CGEERN N#CCc1cc([N+](=O)[O-])cc(C(F)F)c1OC(F)F ZINC000575652867 377930612 /nfs/dbraw/zinc/93/06/12/377930612.db2.gz MIJNUXCPUQJZHA-UHFFFAOYSA-N 0 0 278.161 3.200 10 30 CGEERN CCOc1cc(CC)cc(CC#N)c1OC(F)F ZINC000575655735 377932431 /nfs/dbraw/zinc/93/24/31/377932431.db2.gz MEYZWYJOJSSHDQ-UHFFFAOYSA-N 0 0 255.264 3.315 10 30 CGEERN N#Cc1c(OC(F)F)cc(F)cc1C(F)(F)F ZINC000575658835 377934396 /nfs/dbraw/zinc/93/43/96/377934396.db2.gz FCHLREITCLYMRD-UHFFFAOYSA-N 0 0 255.117 3.318 10 30 CGEERN Cc1cc(C#N)cc(OC(F)F)c1C(F)(F)F ZINC000575666725 377944453 /nfs/dbraw/zinc/94/44/53/377944453.db2.gz YIELFDPXBFTLRA-UHFFFAOYSA-N 0 0 251.154 3.487 10 30 CGEERN CCOC(=O)c1cc(C#N)c(C(F)(F)F)c(OCC)c1 ZINC000575671030 377947240 /nfs/dbraw/zinc/94/72/40/377947240.db2.gz PEAVQGHFVXEWIP-UHFFFAOYSA-N 0 0 287.237 3.152 10 30 CGEERN COc1cc(Br)c(CC#N)cc1Cl ZINC000575673520 377949576 /nfs/dbraw/zinc/94/95/76/377949576.db2.gz BWMHZJKQJNILBQ-UHFFFAOYSA-N 0 0 260.518 3.177 10 30 CGEERN Cc1cc(Br)c(OC(F)F)c(CC#N)c1 ZINC000575682757 377957174 /nfs/dbraw/zinc/95/71/74/377957174.db2.gz AZZDOPPZLUXRDV-UHFFFAOYSA-N 0 0 276.080 3.425 10 30 CGEERN COC(=O)Cc1c(C)c(SC(F)(F)F)ccc1C#N ZINC000575395797 377903599 /nfs/dbraw/zinc/90/35/99/377903599.db2.gz RCDVQOJJIXUAJK-UHFFFAOYSA-N 0 0 289.278 3.194 10 30 CGEERN N#CCc1cncc(C(F)(F)F)c1C(F)(F)F ZINC000575397562 377905013 /nfs/dbraw/zinc/90/50/13/377905013.db2.gz KHWUCRFVGYPPOU-UHFFFAOYSA-N 0 0 254.133 3.185 10 30 CGEERN COc1ccc(-c2snc(Cl)c2C#N)cc1OC ZINC000575434041 377908762 /nfs/dbraw/zinc/90/87/62/377908762.db2.gz DGDCRCDDVNGYMT-UHFFFAOYSA-N 0 0 280.736 3.352 10 30 CGEERN COc1cc(Br)cc(C(F)F)c1CC#N ZINC000575687015 377962202 /nfs/dbraw/zinc/96/22/02/377962202.db2.gz SRIJMZHMHQVSPP-UHFFFAOYSA-N 0 0 276.080 3.461 10 30 CGEERN N#Cc1cc(C(F)(F)F)cc(F)c1Br ZINC000575690110 377965883 /nfs/dbraw/zinc/96/58/83/377965883.db2.gz XEGRCBUZEMZNPB-UHFFFAOYSA-N 0 0 268.007 3.479 10 30 CGEERN N#CCc1cc(C(F)(F)F)cc(O)c1Br ZINC000575692060 377967162 /nfs/dbraw/zinc/96/71/62/377967162.db2.gz UIRGQGXNAKEWBZ-UHFFFAOYSA-N 0 0 280.043 3.240 10 30 CGEERN N#Cc1c(Cl)cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575693746 377968040 /nfs/dbraw/zinc/96/80/40/377968040.db2.gz FUTWZSVNDRTCML-UHFFFAOYSA-N 0 0 250.563 3.139 10 30 CGEERN N#Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1Cl ZINC000575695639 377969195 /nfs/dbraw/zinc/96/91/95/377969195.db2.gz QRJHWNYBGWIMKP-UHFFFAOYSA-N 0 0 250.563 3.139 10 30 CGEERN Oc1ccc(OC(F)(F)F)c(F)c1C(F)(F)F ZINC000575703769 377977458 /nfs/dbraw/zinc/97/74/58/377977458.db2.gz JIBAJRUQARYEBI-UHFFFAOYSA-N 0 0 264.096 3.449 10 30 CGEERN CCc1cc(OC)cc(CC#N)c1OC(F)(F)F ZINC000575704640 377978457 /nfs/dbraw/zinc/97/84/57/377978457.db2.gz YJQQSIDGWJNJQY-UHFFFAOYSA-N 0 0 259.227 3.222 10 30 CGEERN N#Cc1cc(OC2C3CC4CC(C3)CC2C4)ccn1 ZINC000584628813 378395422 /nfs/dbraw/zinc/39/54/22/378395422.db2.gz SQCVEBPVJOPWFZ-UHFFFAOYSA-N 0 0 254.333 3.157 10 30 CGEERN CC(=O)c1ccc(C#N)cc1N1CCC2(CCOCC2)[C@@H]1C ZINC000408199170 379998399 /nfs/dbraw/zinc/99/83/99/379998399.db2.gz QLGWFIUJHBINCF-AWEZNQCLSA-N 0 0 298.386 3.156 10 30 CGEERN C[C@@H]1OCC[C@@H]1NC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000328998611 542445897 /nfs/dbraw/zinc/44/58/97/542445897.db2.gz VCMXHVJYBSCNOW-CABZTGNLSA-N 0 0 288.347 3.048 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)N1CCCC2(CCCCC2)C1 ZINC000332898957 542450536 /nfs/dbraw/zinc/45/05/36/542450536.db2.gz MUBIMQDOIAIGGY-HUUCEWRRSA-N 0 0 289.423 3.435 10 30 CGEERN N#CCc1ccc(OCC(=O)c2cccs2)cc1 ZINC000047820908 391988973 /nfs/dbraw/zinc/98/89/73/391988973.db2.gz CXVDWPQBHYDSGF-UHFFFAOYSA-N 0 0 257.314 3.076 10 30 CGEERN C=CC(C)(C)OC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC000238195348 131079322 /nfs/dbraw/zinc/07/93/22/131079322.db2.gz QMFGGFPFONVVMN-NSHDSACASA-N 0 0 285.384 3.044 10 30 CGEERN C[C@@H](c1ccc(C#N)cc1)N1CCO[C@@H](c2nccs2)C1 ZINC000246393779 131093166 /nfs/dbraw/zinc/09/31/66/131093166.db2.gz OPOZRNKNWXNJCT-SWLSCSKDSA-N 0 0 299.399 3.149 10 30 CGEERN CCCCCCCC(=O)N[C@H]1CCCn2nc(CC)nc21 ZINC000151204492 392483114 /nfs/dbraw/zinc/48/31/14/392483114.db2.gz JZOLTKSBPAFUJO-ZDUSSCGKSA-N 0 0 292.427 3.152 10 30 CGEERN C[C@]1(C(=O)N[C@H]2CCC[C@@H]2C#N)CCCc2ccccc21 ZINC000408329296 392972300 /nfs/dbraw/zinc/97/23/00/392972300.db2.gz IVCZBWUTBRHLJU-HFTRVMKXSA-N 0 0 282.387 3.089 10 30 CGEERN N#CCc1cc(C(F)(F)F)c(C#N)cc1OC(F)F ZINC000575637991 393203441 /nfs/dbraw/zinc/20/34/41/393203441.db2.gz BUDAGUWLEAGWHL-UHFFFAOYSA-N 0 0 276.164 3.245 10 30 CGEERN C[C@H]1CCCCN1c1nc(-c2ccccc2)ncc1C#N ZINC000090568233 134509983 /nfs/dbraw/zinc/50/99/83/134509983.db2.gz DOAFTCDRHNWZQA-ZDUSSCGKSA-N 0 0 278.359 3.394 10 30 CGEERN CCc1cccc2c(C#CCO)cn(C(=O)OC(C)(C)C)c21 ZINC000669381954 543103927 /nfs/dbraw/zinc/10/39/27/543103927.db2.gz BPOXCALPZFZSRU-UHFFFAOYSA-N 0 0 299.370 3.331 10 30 CGEERN CCc1ccc(-c2ccc(SCC#N)nn2)cc1 ZINC000005410610 170095598 /nfs/dbraw/zinc/09/55/98/170095598.db2.gz PBMSPPHRYFHJNH-UHFFFAOYSA-N 0 0 255.346 3.322 10 30 CGEERN CCCCNC(=S)N/N=C1\CCCCc2ccccc21 ZINC000008692002 170345683 /nfs/dbraw/zinc/34/56/83/170345683.db2.gz UBMLDNSHFQAQNH-OBGWFSINSA-N 0 0 289.448 3.381 10 30 CGEERN N#Cc1cccc(-c2cc3c(nn2)-c2ccccc2C3=O)c1 ZINC000013743558 170586749 /nfs/dbraw/zinc/58/67/49/170586749.db2.gz ZIWIPZYFJAYVHX-UHFFFAOYSA-N 0 0 283.290 3.227 10 30 CGEERN CC[C@H](C)c1ccccc1OCCC/C(N)=N/O ZINC000019425210 170794590 /nfs/dbraw/zinc/79/45/90/170794590.db2.gz PRFUQDFZOQUHQM-NSHDSACASA-N 0 0 250.342 3.106 10 30 CGEERN Cc1nc(N)sc1SCc1ccc(C#N)cc1 ZINC000019426563 170795002 /nfs/dbraw/zinc/79/50/02/170795002.db2.gz TYHCWXIPHZHBRN-UHFFFAOYSA-N 0 0 261.375 3.198 10 30 CGEERN N#Cc1cccnc1Nc1ccc(Br)cc1 ZINC000019513478 170821429 /nfs/dbraw/zinc/82/14/29/170821429.db2.gz YSYFNSWEEJAUFD-UHFFFAOYSA-N 0 0 274.121 3.459 10 30 CGEERN C[C@H](Nc1cccc(C#N)c1)c1cc(O)ccc1O ZINC000019922201 170929037 /nfs/dbraw/zinc/92/90/37/170929037.db2.gz FNXQTTFHZCPHHG-JTQLQIEISA-N 0 0 254.289 3.143 10 30 CGEERN N#Cc1ccc(NC(=O)c2ccc(N)cc2Cl)cc1 ZINC000020221037 171083072 /nfs/dbraw/zinc/08/30/72/171083072.db2.gz MZIYZWCZPISZOU-UHFFFAOYSA-N 0 0 271.707 3.046 10 30 CGEERN N#CC[C@](O)(c1ccccc1)c1ccccc1Cl ZINC000033506260 171808757 /nfs/dbraw/zinc/80/87/57/171808757.db2.gz MGXGWVQXYJJOQW-HNNXBMFYSA-N 0 0 257.720 3.490 10 30 CGEERN C[C@@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1ccncc1 ZINC000035122516 171992920 /nfs/dbraw/zinc/99/29/20/171992920.db2.gz RTDFPQKGLCDQFA-SNVBAGLBSA-N 0 0 268.276 3.035 10 30 CGEERN C[C@H](O)c1ccc(OCc2cccc(C#N)c2)cc1 ZINC000035199428 172044773 /nfs/dbraw/zinc/04/47/73/172044773.db2.gz LTBOVLHTSMCKSO-LBPRGKRZSA-N 0 0 253.301 3.191 10 30 CGEERN Cc1n[nH]c(=S)n1N=Cc1ccc(C(F)(F)F)cc1 ZINC000035506761 172239237 /nfs/dbraw/zinc/23/92/37/172239237.db2.gz LEVGDUCQANYOPC-UUASQNMZSA-N 0 0 286.282 3.150 10 30 CGEERN N#CC1(S(=O)(=O)c2ccccc2Cl)CCCCC1 ZINC000035676712 172347128 /nfs/dbraw/zinc/34/71/28/172347128.db2.gz DCEHPRQAZPZYGE-UHFFFAOYSA-N 0 0 283.780 3.340 10 30 CGEERN N#Cc1ccc(NC(=O)c2cccc(O)c2)cc1Cl ZINC000037388903 173172553 /nfs/dbraw/zinc/17/25/53/173172553.db2.gz DYJVZWUGWUXLMO-UHFFFAOYSA-N 0 0 272.691 3.170 10 30 CGEERN N#C[C@H](NCC1CC1)c1cccc(C(F)(F)F)c1 ZINC000037946859 173887973 /nfs/dbraw/zinc/88/79/73/173887973.db2.gz CMJSZWHGMYSFPI-LBPRGKRZSA-N 0 0 254.255 3.270 10 30 CGEERN CC[C@@H](C)N[C@@]1(C#N)CCCc2cc(OC)ccc21 ZINC000038064404 174075288 /nfs/dbraw/zinc/07/52/88/174075288.db2.gz GZXWPRVAQVDXGE-MLGOLLRUSA-N 0 0 258.365 3.138 10 30 CGEERN N#Cc1ccccc1Oc1nc(Cl)ccc1[N+](=O)[O-] ZINC000038082188 174091086 /nfs/dbraw/zinc/09/10/86/174091086.db2.gz SCMHCHCYXXCTTA-UHFFFAOYSA-N 0 0 275.651 3.307 10 30 CGEERN N#C[C@@H](c1cc(F)ccc1F)N1CCCCCC1 ZINC000038086061 174096706 /nfs/dbraw/zinc/09/67/06/174096706.db2.gz UOMRRWLNZRVOSE-AWEZNQCLSA-N 0 0 250.292 3.405 10 30 CGEERN CCC1=C(Br)C(=O)c2ccccc2C1=O ZINC000038294862 174138913 /nfs/dbraw/zinc/13/89/13/174138913.db2.gz DMDUKOTWUUJQSN-UHFFFAOYSA-N 0 0 265.106 3.125 10 30 CGEERN C=CCNC(=O)c1cc(-c2ccc(F)cc2)oc1C ZINC000040178887 174202804 /nfs/dbraw/zinc/20/28/04/174202804.db2.gz KGCDRVFUGRBBJR-UHFFFAOYSA-N 0 0 259.280 3.310 10 30 CGEERN Cc1cc(C)c2c(n1)sc1c2ncnc1SCC#N ZINC000040373643 174249232 /nfs/dbraw/zinc/24/92/32/174249232.db2.gz MOEGDDYLFBAOJJ-UHFFFAOYSA-N 0 0 286.385 3.472 10 30 CGEERN C=CCn1nc(Cc2ccccc2)c2ccccc2c1=O ZINC000040764119 174397048 /nfs/dbraw/zinc/39/70/48/174397048.db2.gz CTVOQNRXRYDARP-UHFFFAOYSA-N 0 0 276.339 3.173 10 30 CGEERN COc1ccc(NC(=O)[C@H](C#N)Cc2ccccc2)cc1 ZINC000044808592 175257508 /nfs/dbraw/zinc/25/75/08/175257508.db2.gz LSBQCSWMHUEIKK-AWEZNQCLSA-N 0 0 280.327 3.016 10 30 CGEERN Cc1ccccc1NC(=O)[C@@H](C#N)Cc1ccccc1 ZINC000044812314 175257859 /nfs/dbraw/zinc/25/78/59/175257859.db2.gz YQLKZUKYOCCHCS-OAHLLOKOSA-N 0 0 264.328 3.316 10 30 CGEERN C=C(C)C(=O)OC(F)(F)c1ccc(F)c(F)c1F ZINC000071602960 176228880 /nfs/dbraw/zinc/22/88/80/176228880.db2.gz KYOVZNUXIBOBCQ-UHFFFAOYSA-N 0 0 266.165 3.273 10 30 CGEERN C[C@@H]1CN(c2ccc(Br)cc2C#N)CCS1 ZINC000130446399 287355521 /nfs/dbraw/zinc/35/55/21/287355521.db2.gz QABIXYFVGOQHLG-SECBINFHSA-N 0 0 297.221 3.262 10 30 CGEERN CCCCCC[C@@H](O)CC#CC(OCC)OCC ZINC000725254035 544113388 /nfs/dbraw/zinc/11/33/88/544113388.db2.gz CCRDHOJROJCPBN-CQSZACIVSA-N 0 0 256.386 3.110 10 30 CGEERN C[C@@H]1CC(CNC(=O)c2ccnc(C3CC3)c2)C[C@@H](C)O1 ZINC000329011043 227257638 /nfs/dbraw/zinc/25/76/38/227257638.db2.gz ZRRTUNYQPHOJTF-VXGBXAGGSA-N 0 0 288.391 3.467 10 30 CGEERN Cc1ccn(-c2ccccc2NC(=O)N2C[C@@H]3CCC[C@H]32)n1 ZINC000329977910 228004414 /nfs/dbraw/zinc/00/44/14/228004414.db2.gz GOYMMQAYQJUGOU-DZGCQCFKSA-N 0 0 296.374 3.211 10 30 CGEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)NCC1CCCCC1 ZINC000330070357 228032447 /nfs/dbraw/zinc/03/24/47/228032447.db2.gz XAJMCPCIEYHQRN-UKRRQHHQSA-N 0 0 291.395 3.035 10 30 CGEERN O=C(Nc1ccccc1-n1cccn1)N1CC[C@@H]2CCC[C@H]21 ZINC000330266322 228085761 /nfs/dbraw/zinc/08/57/61/228085761.db2.gz HNOWNNZWAOSNHD-DZGCQCFKSA-N 0 0 296.374 3.292 10 30 CGEERN C[C@H](NCCC#N)c1ccccc1Br ZINC000020199624 262232686 /nfs/dbraw/zinc/23/26/86/262232686.db2.gz YHFJXNYEJSUNDJ-VIFPVBQESA-N 0 0 253.143 3.013 10 30 CGEERN O=C(C[C@@H]1CCCCC(=O)N1)N[C@@H]1CCCc2c[nH]nc21 ZINC000328645316 263831931 /nfs/dbraw/zinc/83/19/31/263831931.db2.gz GVGWYLQYSDJJTB-NWDGAFQWSA-N 0 0 290.367 3.033 10 30 CGEERN C[C@H](C[C@@H]1CCCO1)NC(=O)C[C@H]1CCCCC(=O)N1 ZINC000328676723 263840652 /nfs/dbraw/zinc/84/06/52/263840652.db2.gz RUEWSXUMJZPELU-UPJWGTAASA-N 0 0 282.384 3.190 10 30 CGEERN Cc1ccc(/C=N/N=c2/sc3ccccc3n2C)cc1 ZINC000000303081 274735368 /nfs/dbraw/zinc/73/53/68/274735368.db2.gz GGASVKTUFUGKHK-YLUJPUDGSA-N 0 0 281.384 3.483 10 30 CGEERN CC(C)(C)Cc1noc([C@]2(C#N)CC23CCCC3)n1 ZINC000333791215 277148622 /nfs/dbraw/zinc/14/86/22/277148622.db2.gz DJTVIYXVASCAJQ-OAHLLOKOSA-N 0 0 259.353 3.384 10 30 CGEERN COc1cc(Br)c(C#N)c(Br)c1 ZINC000299888981 277366809 /nfs/dbraw/zinc/36/68/09/277366809.db2.gz BLUBNYRIUYVWOA-UHFFFAOYSA-N 0 0 290.942 3.092 10 30 CGEERN CC(C)c1nc([C@@H]2CCCN2CC#Cc2ccccc2)no1 ZINC000191977500 278072920 /nfs/dbraw/zinc/07/29/20/278072920.db2.gz CFFBCKGFOJIHMP-INIZCTEOSA-N 0 0 295.386 3.382 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)N[C@@H]1CSc2ccccc21 ZINC000329646141 279482873 /nfs/dbraw/zinc/48/28/73/279482873.db2.gz IVYCKBVJTBGDJM-WCFLWFBJSA-N 0 0 287.388 3.029 10 30 CGEERN C[C@H]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)c2ccccc21 ZINC000181363415 279747948 /nfs/dbraw/zinc/74/79/48/279747948.db2.gz SWOYXXJMYUZEQI-MEDUHNTESA-N 0 0 279.343 3.255 10 30 CGEERN CC(C)[C@H](C(=O)NC[C@@H]1CCCCO1)c1ccncc1 ZINC000329235619 280133843 /nfs/dbraw/zinc/13/38/43/280133843.db2.gz ITVGMCDGJQDURC-GJZGRUSLSA-N 0 0 276.380 3.347 10 30 CGEERN O=[N+]([O-])c1c(F)c(F)c(C(F)(F)F)c(F)c1F ZINC000003158852 280353777 /nfs/dbraw/zinc/35/37/77/280353777.db2.gz MJRVAAVPRMTCFG-UHFFFAOYSA-N 0 0 263.068 3.170 10 30 CGEERN CC(C)[C@H]1CCO[C@H]1C(=O)N[C@H](C#N)C1CCCCC1 ZINC000329661331 280390994 /nfs/dbraw/zinc/39/09/94/280390994.db2.gz OXQJRVBZGUNMMW-RBSFLKMASA-N 0 0 278.396 3.476 10 30 CGEERN O=C(N[C@@H]1CCC(=O)NC1)[C@H]1CCSc2ccccc21 ZINC000329608209 295379258 /nfs/dbraw/zinc/37/92/58/295379258.db2.gz COSPBWKELWDMON-PWSUYJOCSA-N 0 0 290.388 3.341 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)C1CCC(C(F)(F)F)CC1 ZINC000216304533 303159852 /nfs/dbraw/zinc/15/98/52/303159852.db2.gz BMKYKFIMZKLGSC-POSLAHMBSA-N 0 0 288.313 3.164 10 30 CGEERN N#Cc1c(Cl)cccc1N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000227372989 303174525 /nfs/dbraw/zinc/17/45/25/303174525.db2.gz URWRJHQLDSNPFV-BLLLJJGKSA-N 0 0 290.794 3.343 10 30 CGEERN N#CCCCCNC(=O)N1CC=C(c2ccccc2)CC1 ZINC000170887593 329069454 /nfs/dbraw/zinc/06/94/54/329069454.db2.gz CIVFSRABRNLGMF-UHFFFAOYSA-N 0 0 283.375 3.179 10 30 CGEERN C=CCC1(C(=O)NC[C@@H]2CCN(C)c3ccccc32)CCC1 ZINC000189858372 329389773 /nfs/dbraw/zinc/38/97/73/329389773.db2.gz IFIACYQDIQOGQI-HNNXBMFYSA-N 0 0 298.430 3.473 10 30 CGEERN N#C[C@@]1(c2ccc(Br)cc2)CCCOC1 ZINC000536950272 330382259 /nfs/dbraw/zinc/38/22/59/330382259.db2.gz OFWXDGMOWXPNOA-LBPRGKRZSA-N 0 0 266.138 3.021 10 30 CGEERN COCCNc1ccc(-c2ccc(F)cc2)cc1C#N ZINC000536956265 330383215 /nfs/dbraw/zinc/38/32/15/330383215.db2.gz XYIDESRKIPSJDJ-UHFFFAOYSA-N 0 0 270.307 3.423 10 30 CGEERN CCC[C@H](CC(C)C)C(=O)N[C@H]1CCC[C@H]1C#N ZINC000308092088 333024529 /nfs/dbraw/zinc/02/45/29/333024529.db2.gz STUXEFCKJIUYAC-RDBSUJKOSA-N 0 0 250.386 3.257 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NCc1ccc(OC(F)(F)F)cc1 ZINC000061891163 333474898 /nfs/dbraw/zinc/47/48/98/333474898.db2.gz MIZSIXXKVLMLSI-YPMHNXCESA-N 0 0 284.281 3.367 10 30 CGEERN C[C@@H]1CCC[C@H](CCNC(=O)c2cnn3ccncc23)C1 ZINC000329300311 533835244 /nfs/dbraw/zinc/83/52/44/533835244.db2.gz VMXZFVVAWFDTQG-CHWSQXEVSA-N 0 0 286.379 3.250 10 30 CGEERN C[C@H](c1noc([C@@]2(C#N)CC23CCCC3)n1)C1CC1 ZINC000333853132 534154587 /nfs/dbraw/zinc/15/45/87/534154587.db2.gz PWLDGERNSMRMSL-BONVTDFDSA-N 0 0 257.337 3.309 10 30 CGEERN COc1ccccc1NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000187742818 534168773 /nfs/dbraw/zinc/16/87/73/534168773.db2.gz KSLBTJRPHJEONL-UHFFFAOYSA-N 0 0 292.338 3.237 10 30 CGEERN C#CCC(C)(C)C(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000185718157 518244561 /nfs/dbraw/zinc/24/45/61/518244561.db2.gz LMXVAYBHPAALLL-CQSZACIVSA-N 0 0 295.386 3.099 10 30 CGEERN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000185009087 518631088 /nfs/dbraw/zinc/63/10/88/518631088.db2.gz ZOJLRVCDDDBOPQ-TZMCWYRMSA-N 0 0 259.349 3.229 10 30 CGEERN C=CCCOCCOc1cccc(Br)c1 ZINC000049600822 518704835 /nfs/dbraw/zinc/70/48/35/518704835.db2.gz NXVCFUJXUVQIHG-UHFFFAOYSA-N 0 0 271.154 3.421 10 30 CGEERN C=CCn1c(COc2cccc(CC)c2)n[nH]c1=S ZINC000064871935 519188347 /nfs/dbraw/zinc/18/83/47/519188347.db2.gz DVCADPHLSWIDGZ-UHFFFAOYSA-N 0 0 275.377 3.268 10 30 CGEERN CC(C)N=Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000238177377 519446205 /nfs/dbraw/zinc/44/62/05/519446205.db2.gz DNJHYFIFNWSNTH-UHFFFAOYSA-N 0 0 272.102 3.165 10 30 CGEERN COC(=O)c1ccc(Oc2cc(C)nc(C)c2C#N)cc1 ZINC000156887986 522148393 /nfs/dbraw/zinc/14/83/93/522148393.db2.gz RAQSANSPSGPZCI-UHFFFAOYSA-N 0 0 282.299 3.149 10 30 CGEERN CNc1c(C#N)cnc2ccc(OC(F)(F)F)cc21 ZINC000050842450 522535146 /nfs/dbraw/zinc/53/51/46/522535146.db2.gz BNWHCUNPWMAJNY-UHFFFAOYSA-N 0 0 267.210 3.047 10 30 CGEERN CC[C@@H](Nc1ncc(N)cc1C#N)c1cccs1 ZINC000049529255 522967728 /nfs/dbraw/zinc/96/77/28/522967728.db2.gz NQPIFFOVHYQKRE-LLVKDONJSA-N 0 0 258.350 3.160 10 30 CGEERN CN(c1ccccc1)c1ccc(/C(N)=N/O)cc1Cl ZINC000062794342 523652203 /nfs/dbraw/zinc/65/22/03/523652203.db2.gz ZCVIBFHRTLYDJX-UHFFFAOYSA-N 0 0 275.739 3.202 10 30 CGEERN C[C@H](O)c1ccc(N(CCC#N)C2CC2)c(Cl)c1 ZINC000061696565 525855818 /nfs/dbraw/zinc/85/58/18/525855818.db2.gz PQGSZETWGDCIDO-JTQLQIEISA-N 0 0 264.756 3.276 10 30 CGEERN C[C@@H](O)c1ccc(N(CCC#N)C2CC2)c(Cl)c1 ZINC000061696566 525868244 /nfs/dbraw/zinc/86/82/44/525868244.db2.gz PQGSZETWGDCIDO-SNVBAGLBSA-N 0 0 264.756 3.276 10 30 CGEERN C[C@@H](O)c1cccc(OCC#Cc2ccccc2)c1 ZINC000051814583 525871263 /nfs/dbraw/zinc/87/12/63/525871263.db2.gz SBYVPKDFBSJUDL-CQSZACIVSA-N 0 0 252.313 3.170 10 30 CGEERN N#Cc1ccc(Cl)cc1Sc1ncnc2[nH]cnc21 ZINC000062790317 526636516 /nfs/dbraw/zinc/63/65/16/526636516.db2.gz HFOJTTGTCIOZTJ-UHFFFAOYSA-N 0 0 287.735 3.029 10 30 CGEERN N/C(=N/O)c1cc(Cl)ccc1N1CCCCCCC1 ZINC000052860513 526802267 /nfs/dbraw/zinc/80/22/67/526802267.db2.gz UJCJYYSWVGJKSY-UHFFFAOYSA-N 0 0 281.787 3.205 10 30 CGEERN N/C(=N/O)c1ccc(Oc2ccccc2F)c(Cl)c1 ZINC000062794812 526803704 /nfs/dbraw/zinc/80/37/04/526803704.db2.gz HACDCIAIWLUXET-UHFFFAOYSA-N 0 0 280.686 3.366 10 30 CGEERN Cc1onc(-c2c(Cl)cccc2Cl)c1C=NN ZINC000255004175 526842927 /nfs/dbraw/zinc/84/29/27/526842927.db2.gz SABNVIQGDYYDKG-UHFFFAOYSA-N 0 0 270.119 3.249 10 30 CGEERN C=CCCC(=O)N1CCC[C@@H](c2nc(CC)cs2)C1 ZINC000113204663 527069285 /nfs/dbraw/zinc/06/92/85/527069285.db2.gz AAELEEFBUMAWQB-GFCCVEGCSA-N 0 0 278.421 3.378 10 30 CGEERN FC(F)Oc1ccc(CS)c(OC(F)F)c1 ZINC000757163999 617828500 /nfs/dbraw/zinc/82/85/00/617828500.db2.gz XCLXVKVQANMXRZ-UHFFFAOYSA-N 0 0 256.220 3.319 10 30 CGEERN CCCCCCCC(=O)N1CCC[C@H](NC(=O)CCC)C1 ZINC000157089454 618160450 /nfs/dbraw/zinc/16/04/50/618160450.db2.gz VGVRAGJXKZFWEC-HNNXBMFYSA-N 0 0 296.455 3.254 10 30 CGEERN C#Cc1cccc(N(C)S(=O)(=O)/C=C\c2ccccc2)c1 ZINC000255357029 618216101 /nfs/dbraw/zinc/21/61/01/618216101.db2.gz RTXMYYSFBXNACB-SEYXRHQNSA-N 0 0 297.379 3.105 10 30 CGEERN Cc1c(C#N)cccc1NS(=O)(=O)/C=C/c1ccccc1 ZINC000179025500 618733612 /nfs/dbraw/zinc/73/36/12/618733612.db2.gz XTWAFGKGPAVNQX-ZHACJKMWSA-N 0 0 298.367 3.279 10 30 CGEERN CON=Cc1ccc(C(=O)N2CCC[C@@H]2c2ccco2)cc1 ZINC000255631727 618769613 /nfs/dbraw/zinc/76/96/13/618769613.db2.gz LIUXRPSDEFPRHE-OAHLLOKOSA-N 0 0 298.342 3.237 10 30 CGEERN C=C(Br)COC(=O)[C@H](C)c1ccc(OC)cc1 ZINC000171670001 623182451 /nfs/dbraw/zinc/18/24/51/623182451.db2.gz BWNQQJSRBWKLAJ-SNVBAGLBSA-N 0 0 299.164 3.251 10 30 CGEERN C=CCCOC(=O)[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000076872473 623253503 /nfs/dbraw/zinc/25/35/03/623253503.db2.gz DLWXERUDFCMBSW-CHWSQXEVSA-N 0 0 297.395 3.189 10 30 CGEERN CC1(C)Cc2cc(CN[C@H]3CCC[C@@H]3C#N)ccc2O1 ZINC000071170410 625061416 /nfs/dbraw/zinc/06/14/16/625061416.db2.gz UCUUHJZLKZTZQS-HIFRSBDPSA-N 0 0 270.376 3.182 10 30 CGEERN CCCCCCNC(=O)[C@H](C#N)C(=O)C1CCCCCC1 ZINC000102117822 634514571 /nfs/dbraw/zinc/51/45/71/634514571.db2.gz OSNMZSPBNUNXDF-OAHLLOKOSA-N 0 0 292.423 3.362 10 30 CGEERN C[C@@H](S)C[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000757162236 630587297 /nfs/dbraw/zinc/58/72/97/630587297.db2.gz CKWJMWGGSWDHBS-MNOVXSKESA-N 0 0 259.415 3.484 10 30 CGEERN C#CCCCOC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109185264 636990630 /nfs/dbraw/zinc/99/06/30/636990630.db2.gz ZGBHOTPLWSBUMH-NEPJUHHUSA-N 0 0 264.271 3.025 10 30 CGEERN CCCCCCCC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000113738507 638274099 /nfs/dbraw/zinc/27/40/99/638274099.db2.gz PUYGHLRHBQKLDZ-KBPBESRZSA-N 0 0 255.402 3.014 10 30 CGEERN Cc1cc(C(=O)N[C@H]2C[C@H]2C)c(C)n1-c1ccc(C#N)cc1 ZINC000077327068 640230227 /nfs/dbraw/zinc/23/02/27/640230227.db2.gz YGUXKPIXVRPBKZ-DIFFPNOSSA-N 0 0 293.370 3.104 10 30 CGEERN Cc1cc(C(=O)N[C@@H]2C[C@@H]2C)c(C)n1-c1ccc(C#N)cc1 ZINC000077327060 640230727 /nfs/dbraw/zinc/23/07/27/640230727.db2.gz YGUXKPIXVRPBKZ-APPDUMDISA-N 0 0 293.370 3.104 10 30 CGEERN CC12C[C@H]3C[C@@H](C1)CC(C(=O)N[C@@H]1CCC[C@H]1C#N)(C3)C2 ZINC000252797065 640863488 /nfs/dbraw/zinc/86/34/88/640863488.db2.gz IPPLOHYTERIMCV-QQQXLFEASA-N 0 0 286.419 3.401 10 30 CGEERN C=C[C@H](CC)OC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000588385986 799685517 /nfs/dbraw/zinc/68/55/17/799685517.db2.gz LGGIWQVDCAZMDO-PGJNLMOESA-N 0 0 261.277 3.116 10 30 CGEERN CCOc1ccc(O)c(/C=N\C[C@H]2CCC(C)(C)O2)c1 ZINC000588523163 799705519 /nfs/dbraw/zinc/70/55/19/799705519.db2.gz JPDHHOVFUUEJBC-AYCSXLNKSA-N 0 0 277.364 3.167 10 30 CGEERN C[C@@H](CC#N)Nc1cccc(I)c1 ZINC000037871347 344953240 /nfs/dbraw/zinc/95/32/40/344953240.db2.gz LPPYHKPVZPYORU-QMMMGPOBSA-N 0 0 286.116 3.005 10 30 CGEERN C=CCCCCC(=O)Oc1ccc2ccc(=O)oc2c1 ZINC000038337285 344955597 /nfs/dbraw/zinc/95/55/97/344955597.db2.gz SZHWUTYLFNGINH-UHFFFAOYSA-N 0 0 272.300 3.445 10 30 CGEERN C=CCNc1nc(C)nc(Nc2ccc(C)cc2C)n1 ZINC000038979163 344956862 /nfs/dbraw/zinc/95/68/62/344956862.db2.gz YPHLWHXBOGRJKE-UHFFFAOYSA-N 0 0 269.352 3.138 10 30 CGEERN COc1cc2c(cc1OC)[C@H](c1ccc(C#N)cc1)OCC2 ZINC000039025448 344957229 /nfs/dbraw/zinc/95/72/29/344957229.db2.gz ATRRCCUUCUHVDI-SFHVURJKSA-N 0 0 295.338 3.238 10 30 CGEERN CC(C)[C@H](C#N)C(=O)c1ccc(Br)s1 ZINC000041045618 344966774 /nfs/dbraw/zinc/96/67/74/344966774.db2.gz LLVZHABHSWCAGT-ZETCQYMHSA-N 0 0 272.167 3.489 10 30 CGEERN N#Cc1ccc([N+](=O)[O-])cc1OCc1ccccc1 ZINC000036431200 344943868 /nfs/dbraw/zinc/94/38/68/344943868.db2.gz KPOHNLJOGORXDO-UHFFFAOYSA-N 0 0 254.245 3.045 10 30 CGEERN N#Cc1ccsc1C(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000052028874 345095868 /nfs/dbraw/zinc/09/58/68/345095868.db2.gz HFZTXYULXZMWLL-WCQYABFASA-N 0 0 274.389 3.415 10 30 CGEERN N#CC1(c2cncc(Br)c2)CCCC1 ZINC000071780269 345405006 /nfs/dbraw/zinc/40/50/06/345405006.db2.gz BOGIGDAJZYESOM-UHFFFAOYSA-N 0 0 251.127 3.179 10 30 CGEERN N#Cc1ccc(NC[C@H]2CCO[C@@H]2c2ccccc2)nc1 ZINC000078357707 345603353 /nfs/dbraw/zinc/60/33/53/345603353.db2.gz CVEYPUZDYVXKCS-NVXWUHKLSA-N 0 0 279.343 3.143 10 30 CGEERN CCOC(=O)CC[C@@H](C)Nc1cc(Cl)ccc1C#N ZINC000089657015 345773788 /nfs/dbraw/zinc/77/37/88/345773788.db2.gz LOXBXBGJGZQUTJ-SNVBAGLBSA-N 0 0 280.755 3.355 10 30 CGEERN Cc1c(Cl)c(C#N)ccc1I ZINC000114950382 345968054 /nfs/dbraw/zinc/96/80/54/345968054.db2.gz DKZCIZKYGIQEFY-UHFFFAOYSA-N 0 0 277.492 3.125 10 30 CGEERN CCC[C@H](O)c1ccncc1-c1ccc(C#N)c(OC)c1 ZINC000117052639 345980794 /nfs/dbraw/zinc/98/07/94/345980794.db2.gz RAAHEMUETPOFNY-INIZCTEOSA-N 0 0 282.343 3.462 10 30 CGEERN Cc1cc(-n2cc(C(F)(F)F)cn2)ccc1C#N ZINC000133484754 346078076 /nfs/dbraw/zinc/07/80/76/346078076.db2.gz BDVLZCLUXUKEHN-UHFFFAOYSA-N 0 0 251.211 3.071 10 30 CGEERN O=CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000136982202 346092563 /nfs/dbraw/zinc/09/25/63/346092563.db2.gz PLXBWBKXCKSJRL-UHFFFAOYSA-N 0 0 262.071 3.044 10 30 CGEERN CC[C@@H](C#N)Oc1ccc(F)c(Br)c1 ZINC000137548941 346094934 /nfs/dbraw/zinc/09/49/34/346094934.db2.gz GLEUJEXRORRVKK-ZETCQYMHSA-N 0 0 258.090 3.269 10 30 CGEERN N#Cc1cc2ncccc2nc1-c1cc(F)cc(F)c1 ZINC000141560642 346108722 /nfs/dbraw/zinc/10/87/22/346108722.db2.gz GYTKZONQZWGVQF-UHFFFAOYSA-N 0 0 267.238 3.447 10 30 CGEERN N#Cc1ccc(F)c([C@@H](O)c2ccnc3ccccc32)c1 ZINC000145003889 346118982 /nfs/dbraw/zinc/11/89/82/346118982.db2.gz SPURNQVPNMCGDK-KRWDZBQOSA-N 0 0 278.286 3.327 10 30 CGEERN CC(C)(C)c1cc(C(=N)NC#N)cc(C(C)(C)C)c1O ZINC000147199260 346125833 /nfs/dbraw/zinc/12/58/33/346125833.db2.gz GDXUYYGQHVLMOA-UHFFFAOYSA-N 0 0 273.380 3.174 10 30 CGEERN O=C(c1ccccc1)N1C[C@H]2CC/C(=N\O)c3cccc1c32 ZINC000150106386 346132498 /nfs/dbraw/zinc/13/24/98/346132498.db2.gz UMYREPKESJLQOU-PETKRDDUSA-N 0 0 292.338 3.403 10 30 CGEERN C=CC(=O)c1nc2ccccc2cc1Br ZINC000158190321 346163868 /nfs/dbraw/zinc/16/38/68/346163868.db2.gz BMUFJUUCXSTRGK-UHFFFAOYSA-N 0 0 262.106 3.366 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NCc1ccc(Br)c(F)c1 ZINC000161312925 346175211 /nfs/dbraw/zinc/17/52/11/346175211.db2.gz YFCXOPHWQYVLGX-GWCFXTLKSA-N 0 0 297.171 3.370 10 30 CGEERN CC#CCC[C@H](O)c1csc(Br)c1 ZINC000161844656 346177423 /nfs/dbraw/zinc/17/74/23/346177423.db2.gz GEDBNMPXYJFSMG-VIFPVBQESA-N 0 0 259.168 3.348 10 30 CGEERN CC#CCC[C@@H](O)c1csc(Br)c1 ZINC000161844793 346177513 /nfs/dbraw/zinc/17/75/13/346177513.db2.gz GEDBNMPXYJFSMG-SECBINFHSA-N 0 0 259.168 3.348 10 30 CGEERN Cc1ccccc1C1(C#N)CCC2(CC1)OCCO2 ZINC000196750757 346276591 /nfs/dbraw/zinc/27/65/91/346276591.db2.gz PTXINRZOPYZXEN-UHFFFAOYSA-N 0 0 257.333 3.074 10 30 CGEERN CCOc1cccc(NC(=NC#N)Oc2ccccc2)c1 ZINC000219390146 346294817 /nfs/dbraw/zinc/29/48/17/346294817.db2.gz CHUKFTKNJMSCPT-UHFFFAOYSA-N 0 0 281.315 3.222 10 30 CGEERN C=CCN(C)c1ncc(Br)cc1Cl ZINC000234278024 346331108 /nfs/dbraw/zinc/33/11/08/346331108.db2.gz DZCHPVMCMYDTFG-UHFFFAOYSA-N 0 0 261.550 3.120 10 30 CGEERN CO[C@@H](C#N)c1ccc(Br)c(Cl)c1 ZINC000234722141 346332444 /nfs/dbraw/zinc/33/24/44/346332444.db2.gz QSZOJUASESVQTL-VIFPVBQESA-N 0 0 260.518 3.314 10 30 CGEERN C[C@@H](C#N)CC(=O)c1cc(F)ccc1Br ZINC000235427457 346334985 /nfs/dbraw/zinc/33/49/85/346334985.db2.gz MIBVEFCUEPTRKG-SSDOTTSWSA-N 0 0 270.101 3.321 10 30 CGEERN C#CCNc1c(Br)cccc1Br ZINC000232118970 346324359 /nfs/dbraw/zinc/32/43/59/346324359.db2.gz RTXJDAZWJRFILZ-UHFFFAOYSA-N 0 0 288.970 3.257 10 30 CGEERN CC(=O)N(C)c1ccc(N=Cc2ccc(N(C)C)cc2)cc1 ZINC000257353815 346400312 /nfs/dbraw/zinc/40/03/12/346400312.db2.gz UDEQJXSXLDKHEK-UHFFFAOYSA-N 0 0 295.386 3.486 10 30 CGEERN C#C[C@@H](C)Nc1cc(I)ccc1C ZINC000300968057 346439301 /nfs/dbraw/zinc/43/93/01/346439301.db2.gz PAEWRIWQCCIOON-SECBINFHSA-N 0 0 285.128 3.033 10 30 CGEERN N#C[C@H]1CCCC[C@H]1NCc1ccc(Br)o1 ZINC000378972852 346554271 /nfs/dbraw/zinc/55/42/71/346554271.db2.gz KJJKLJNBAVWZBL-MWLCHTKSSA-N 0 0 283.169 3.214 10 30 CGEERN N#CCc1cc(C(F)(F)F)c(N)c(C(F)(F)F)c1 ZINC000514262519 346636476 /nfs/dbraw/zinc/63/64/76/346636476.db2.gz DCEPTPWZVCPZLW-UHFFFAOYSA-N 0 0 268.160 3.372 10 30 CGEERN N#C[C@H](c1ccc(F)cc1F)[C@@H](CCO)c1cncs1 ZINC000584639229 346702243 /nfs/dbraw/zinc/70/22/43/346702243.db2.gz DXSPLMHWZJBONM-VXGBXAGGSA-N 0 0 294.326 3.195 10 30 CGEERN COc1ccc2cc(C#Cc3ncccn3)ccc2c1 ZINC000584643152 346703250 /nfs/dbraw/zinc/70/32/50/346703250.db2.gz WQTNNDLYSYKRLN-UHFFFAOYSA-N 0 0 260.296 3.038 10 30 CGEERN O=C[C@H]1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)CC1 ZINC000584661295 346705660 /nfs/dbraw/zinc/70/56/60/346705660.db2.gz BCEMISZAPOREJQ-JGZJWPJOSA-N 0 0 273.254 3.237 10 30 CGEERN C[C@@H](O)[C@@](C)(/C=C/Sc1ccccc1)/C=N/N(C)C ZINC000584655806 346705740 /nfs/dbraw/zinc/70/57/40/346705740.db2.gz XPIOENTXRHOVQG-FGIWGUTOSA-N 0 0 278.421 3.227 10 30 CGEERN C=CC[C@@H](CNC(=O)OCC)Cc1ccccc1OC ZINC000584600906 346689067 /nfs/dbraw/zinc/68/90/67/346689067.db2.gz PMBMFDUTJOHVIQ-CYBMUJFWSA-N 0 0 277.364 3.176 10 30 CGEERN N#Cc1ccccc1C#C[C@@](O)(C1CCCC1)C1(C#N)CC1 ZINC000584598789 346689255 /nfs/dbraw/zinc/68/92/55/346689255.db2.gz VYPZCQCJBMWDHD-LJQANCHMSA-N 0 0 290.366 3.135 10 30 CGEERN COc1cccc2c1CC[C@H]([C@@H]1C=CC(=O)CC1)C2 ZINC000584624728 346696230 /nfs/dbraw/zinc/69/62/30/346696230.db2.gz MELSYDQRRQLXEN-OLZOCXBDSA-N 0 0 256.345 3.335 10 30 CGEERN N#C[C@@H](N)CC1=Cc2cc(C(F)(F)F)ccc2CC1 ZINC000584626772 346697866 /nfs/dbraw/zinc/69/78/66/346697866.db2.gz JXXNLLGUVSWZNH-ZDUSSCGKSA-N 0 0 266.266 3.276 10 30 CGEERN C=CC[C@](Cc1cccs1)(C(C)=O)C(=O)OCC ZINC000584630285 346698223 /nfs/dbraw/zinc/69/82/23/346698223.db2.gz TWVKXELNAYREJG-AWEZNQCLSA-N 0 0 266.362 3.005 10 30 CGEERN CC1(C)OC(C)(C)c2c1c(C#N)c(F)c(F)c2C#N ZINC000584635819 346700939 /nfs/dbraw/zinc/70/09/39/346700939.db2.gz ZVOKQQZYRDUWRG-UHFFFAOYSA-N 0 0 262.259 3.209 10 30 CGEERN CC(C)c1nc(CN[C@H]2CCCC[C@@H]2C#N)cs1 ZINC000595691997 347338622 /nfs/dbraw/zinc/33/86/22/347338622.db2.gz KYAOUAGHAVLQRN-YPMHNXCESA-N 0 0 263.410 3.438 10 30 CGEERN COC(=O)N1CCCCC[C@H]1c1ccc(C#N)cc1 ZINC000616622330 348849189 /nfs/dbraw/zinc/84/91/89/348849189.db2.gz ASVYFXQYFWDFPD-AWEZNQCLSA-N 0 0 258.321 3.242 10 30 CGEERN COC(=O)N1CCc2ccccc2[C@@H]1c1ccccc1C#N ZINC000616677037 348863743 /nfs/dbraw/zinc/86/37/43/348863743.db2.gz GDRGTLRDUABWOJ-QGZVFWFLSA-N 0 0 292.338 3.272 10 30 CGEERN Cc1ccc(-c2cc(N3CCCC3)c(C#N)c(=O)o2)cc1 ZINC000090562638 180004980 /nfs/dbraw/zinc/00/49/80/180004980.db2.gz QPSYPGRDTONXKO-UHFFFAOYSA-N 0 0 280.327 3.087 10 30 CGEERN COCCCSc1c(C#N)cnc2ccccc21 ZINC000104449142 186005682 /nfs/dbraw/zinc/00/56/82/186005682.db2.gz FAVKLJSGFWDHIV-UHFFFAOYSA-N 0 0 258.346 3.235 10 30 CGEERN C[C@H]1C[C@@H]1Nc1ccc(C#N)cc1Br ZINC000134785733 187771802 /nfs/dbraw/zinc/77/18/02/187771802.db2.gz RRFHRWKXTCANGM-CPCISQLKSA-N 0 0 251.127 3.141 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NCc1ccccc1C(F)(F)F ZINC000061626629 283057062 /nfs/dbraw/zinc/05/70/62/283057062.db2.gz XAGGLINXXWFZAW-GWCFXTLKSA-N 0 0 268.282 3.487 10 30 CGEERN Cc1ccc(C#N)c(N2CCC[C@H](c3nccs3)C2)n1 ZINC000180227207 138429710 /nfs/dbraw/zinc/42/97/10/138429710.db2.gz QULSTZASIREQLH-ZDUSSCGKSA-N 0 0 284.388 3.102 10 30 CGEERN C[C@@H](Nc1ccc(F)cc1C#N)c1cncc(F)c1 ZINC000235243036 138512900 /nfs/dbraw/zinc/51/29/00/138512900.db2.gz DWBACCVQAXDPRI-SECBINFHSA-N 0 0 259.259 3.405 10 30 CGEERN C[C@H](NC(=O)c1ccc(C#N)o1)c1cccc(Cl)c1 ZINC000311588946 138584009 /nfs/dbraw/zinc/58/40/09/138584009.db2.gz ZNLLRJZENXGGKQ-VIFPVBQESA-N 0 0 274.707 3.296 10 30 CGEERN N#Cc1cc(Cl)ccc1NCCC1=CCOCC1 ZINC000301801512 201206659 /nfs/dbraw/zinc/20/66/59/201206659.db2.gz CIRBKZUODGUYMP-UHFFFAOYSA-N 0 0 262.740 3.360 10 30 CGEERN CO[C@@H]1CCC[C@H](Nc2snc(Cl)c2C#N)C1 ZINC000301809657 201210480 /nfs/dbraw/zinc/21/04/80/201210480.db2.gz ZOMRSECKJRSIOJ-JGVFFNPUSA-N 0 0 271.773 3.038 10 30 CGEERN C[C@H](NC(=S)Nc1ccc(C#N)nc1)C(C)(C)C ZINC000013600656 368659044 /nfs/dbraw/zinc/65/90/44/368659044.db2.gz VMIYRBIVFIYWKP-VIFPVBQESA-N 0 0 262.382 3.086 10 30 CGEERN N#Cc1ccc(N2CCC[C@H](c3ccccc3F)C2)nc1 ZINC000013979030 368673204 /nfs/dbraw/zinc/67/32/04/368673204.db2.gz JXVPORXKPWCGNQ-AWEZNQCLSA-N 0 0 281.334 3.476 10 30 CGEERN C[C@H](C(=O)N(C)O)c1ccc(OCc2ccccc2)cc1 ZINC000026264936 368856936 /nfs/dbraw/zinc/85/69/36/368856936.db2.gz VFSCYWVNAXCZLJ-ZDUSSCGKSA-N 0 0 285.343 3.217 10 30 CGEERN C=C1CC(c2ccccc2)(c2ccccc2)OC1=O ZINC000025983542 368854760 /nfs/dbraw/zinc/85/47/60/368854760.db2.gz LZBJZOHGYDZLPZ-UHFFFAOYSA-N 0 0 250.297 3.433 10 30 CGEERN COc1ccc(/C=C/C(=O)c2ccccc2N)cc1 ZINC000033847827 368969787 /nfs/dbraw/zinc/96/97/87/368969787.db2.gz GIEOBFHMXDZZOP-DHZHZOJOSA-N 0 0 253.301 3.174 10 30 CGEERN Cc1ccc(NC[C@H](C)C#N)cc1Br ZINC000032107775 368925230 /nfs/dbraw/zinc/92/52/30/368925230.db2.gz JSWGRSCEFGYZGC-MRVPVSSYSA-N 0 0 253.143 3.329 10 30 CGEERN N#C[C@H](C(=O)c1ccc(F)cc1Cl)c1ccccn1 ZINC000046440030 369294250 /nfs/dbraw/zinc/29/42/50/369294250.db2.gz LOKOXLBIJMFXJQ-NSHDSACASA-N 0 0 274.682 3.364 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1cccc(Cl)c1Cl ZINC000061888661 369609290 /nfs/dbraw/zinc/60/92/90/369609290.db2.gz PVVQNWBWRVUOMC-GZMMTYOYSA-N 0 0 283.158 3.415 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1cc2c(s1)CCCCC2 ZINC000061888742 369609455 /nfs/dbraw/zinc/60/94/55/369609455.db2.gz DXGRRDVUPFBGIS-STQMWFEESA-N 0 0 288.416 3.439 10 30 CGEERN CCO[C@@]1(C#N)C=CC(/N=C\c2ccccc2)=CC1 ZINC000100343624 370277405 /nfs/dbraw/zinc/27/74/05/370277405.db2.gz VTRLAFZROKKXDX-JIHKLPAASA-N 0 0 252.317 3.248 10 30 CGEERN N#CC1(NC(=O)CCOc2ccccc2Cl)CCCC1 ZINC000104524731 370347546 /nfs/dbraw/zinc/34/75/46/370347546.db2.gz UJDNOHWDMMUJFM-UHFFFAOYSA-N 0 0 292.766 3.061 10 30 CGEERN CC(C)(C#N)C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000129959225 371007286 /nfs/dbraw/zinc/00/72/86/371007286.db2.gz QPGNPLORANPNBP-AWEZNQCLSA-N 0 0 298.386 3.489 10 30 CGEERN C[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C#N)n2)C[C@@H]1C ZINC000235319523 189826368 /nfs/dbraw/zinc/82/63/68/189826368.db2.gz JBDNERJWZRAXQA-OUAUKWLOSA-N 0 0 274.324 3.098 10 30 CGEERN C[C@@H]1OCC[C@H]1Nc1ccc(C(F)(F)F)cc1C#N ZINC000149797348 371530769 /nfs/dbraw/zinc/53/07/69/371530769.db2.gz BSIPNJHEQWZARI-GZMMTYOYSA-N 0 0 270.254 3.166 10 30 CGEERN Cc1csc(C2CCN(C[C@H](C#N)CCC#N)CC2)n1 ZINC000157108560 372005968 /nfs/dbraw/zinc/00/59/68/372005968.db2.gz PFBAVSQFTGGFBB-ZDUSSCGKSA-N 0 0 288.420 3.074 10 30 CGEERN C[C@@H]1C[C@H]1Nc1ccc(Br)cc1C#N ZINC000163527716 372476984 /nfs/dbraw/zinc/47/69/84/372476984.db2.gz IGLQDYXCACKSJR-RDDDGLTNSA-N 0 0 251.127 3.141 10 30 CGEERN C=CCCC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000168694743 372616833 /nfs/dbraw/zinc/61/68/33/372616833.db2.gz QTHLGJGOYSLFDK-GFCCVEGCSA-N 0 0 271.282 3.242 10 30 CGEERN CC(C)[C@@H](C)NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000171290347 372737312 /nfs/dbraw/zinc/73/73/12/372737312.db2.gz LBDJMPWUCQYHEN-CYBMUJFWSA-N 0 0 285.391 3.277 10 30 CGEERN C[C@]1(CO)CCC[C@@H]1Nc1cc(C#N)nc2ccccc21 ZINC000301329021 373747079 /nfs/dbraw/zinc/74/70/79/373747079.db2.gz ADBSWVGLNPGQRE-DLBZAZTESA-N 0 0 281.359 3.069 10 30 CGEERN Cc1nnc(Nc2ccsc2Cl)c(C#N)c1C ZINC000302461307 373871144 /nfs/dbraw/zinc/87/11/44/373871144.db2.gz ABXOVRHUTRWOKS-UHFFFAOYSA-N 0 0 264.741 3.424 10 30 CGEERN C[C@@H]1CC(CNC(=O)[C@@H]2CCC(=O)C[C@@H]2C)C[C@@H](C)O1 ZINC000328908055 374393117 /nfs/dbraw/zinc/39/31/17/374393117.db2.gz CPIGFOBAWIOXKY-FUTJPDQTSA-N 0 0 281.396 3.152 10 30 CGEERN CSC1(C(=O)N[C@H]2CCC(=O)NC23CCC3)CCC1 ZINC000328728427 374378840 /nfs/dbraw/zinc/37/88/40/374378840.db2.gz DVYVWPULLHCYFU-JTQLQIEISA-N 0 0 282.409 3.270 10 30 CGEERN COc1ccc([C@@H](C)C(=O)N(C2CC2)C2(C#N)CCC2)cc1 ZINC000328892629 374391249 /nfs/dbraw/zinc/39/12/49/374391249.db2.gz TZLFVVKPWSQLIH-CYBMUJFWSA-N 0 0 298.386 3.236 10 30 CGEERN C=CCCCCCN1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000193578944 375894853 /nfs/dbraw/zinc/89/48/53/375894853.db2.gz ZUACEGMKAPSNCR-MRXNPFEDSA-N 0 0 277.412 3.023 10 30 CGEERN C[C@@H](C#N)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000194273718 375977894 /nfs/dbraw/zinc/97/78/94/375977894.db2.gz BLQVEZBFIWJEHQ-CMPLNLGQSA-N 0 0 257.362 3.345 10 30 CGEERN CSC1(CNc2cc(C)nc(C)c2C#N)CCC1 ZINC000227985821 376421565 /nfs/dbraw/zinc/42/15/65/376421565.db2.gz HGKROWRZQQFWOH-UHFFFAOYSA-N 0 0 261.394 3.268 10 30 CGEERN Cc1cc(C#N)nc(N[C@@H](C)c2ccccc2C)n1 ZINC000231898662 376575500 /nfs/dbraw/zinc/57/55/00/376575500.db2.gz PSECPBKZHPSJFM-LBPRGKRZSA-N 0 0 252.321 3.138 10 30 CGEERN CC[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(C#N)n2)C1 ZINC000233928808 376607912 /nfs/dbraw/zinc/60/79/12/376607912.db2.gz RURDXVRMWXEBBR-GHMZBOCLSA-N 0 0 274.324 3.242 10 30 CGEERN C[C@@H]1CCC[C@H](CCNc2ccc([N+](=O)[O-])c(C#N)n2)C1 ZINC000235334658 376637827 /nfs/dbraw/zinc/63/78/27/376637827.db2.gz BDLNUAXNTVWQAD-VXGBXAGGSA-N 0 0 288.351 3.490 10 30 CGEERN C[C@H](C#N)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000249137939 377469401 /nfs/dbraw/zinc/46/94/01/377469401.db2.gz VRVNNSALLUFNPM-GHMZBOCLSA-N 0 0 250.292 3.056 10 30 CGEERN Oc1ccc(C=Nc2nc3c(s2)CCCC3)cc1 ZINC000254819597 377713651 /nfs/dbraw/zinc/71/36/51/377713651.db2.gz WPCPFPOAZIPPRP-UHFFFAOYSA-N 0 0 258.346 3.478 10 30 CGEERN Cc1cc(C)c(C=Nc2ccccc2C(N)=O)c(C)c1 ZINC000254491191 377706921 /nfs/dbraw/zinc/70/69/21/377706921.db2.gz NUMPVKBMXPFAKH-UHFFFAOYSA-N 0 0 266.344 3.461 10 30 CGEERN NC(=O)c1ccccc1N=Cc1cccc(Cl)c1 ZINC000254738228 377711962 /nfs/dbraw/zinc/71/19/62/377711962.db2.gz NLRFWHLBLZPBCZ-UHFFFAOYSA-N 0 0 258.708 3.190 10 30 CGEERN CC(C)(C)OC(=O)N1CC[C@@H](c2ccccc2C#N)C1 ZINC000260861656 377810051 /nfs/dbraw/zinc/81/00/51/377810051.db2.gz JRSJMORYEZHUFE-CYBMUJFWSA-N 0 0 272.348 3.283 10 30 CGEERN COC(=O)c1c(SC(F)(F)F)ccc(F)c1C#N ZINC000575390641 377898478 /nfs/dbraw/zinc/89/84/78/377898478.db2.gz JYTQGLSPMNNIHA-UHFFFAOYSA-N 0 0 279.214 3.096 10 30 CGEERN COC(=O)c1cc(C#N)c(C(F)F)cc1OC(F)(F)F ZINC000575343772 377883912 /nfs/dbraw/zinc/88/39/12/377883912.db2.gz HUZBDMZUSKMJBF-UHFFFAOYSA-N 0 0 295.163 3.181 10 30 CGEERN C=CCCC(=O)c1ccc(Cl)cc1C(=O)OC ZINC000575362074 377889061 /nfs/dbraw/zinc/88/90/61/377889061.db2.gz ZHGJBEKNGXSKLJ-UHFFFAOYSA-N 0 0 252.697 3.276 10 30 CGEERN CCOC(=O)c1cc(C#N)c(Cl)c(OC(F)(F)F)c1 ZINC000575382829 377892759 /nfs/dbraw/zinc/89/27/59/377892759.db2.gz CVYYPPJLENWSJW-UHFFFAOYSA-N 0 0 293.628 3.287 10 30 CGEERN COC(=O)c1ccc(C(F)(F)F)c(C#N)c1Cl ZINC000575383272 377893746 /nfs/dbraw/zinc/89/37/46/377893746.db2.gz MQCKCFWDUJFQEM-UHFFFAOYSA-N 0 0 263.602 3.017 10 30 CGEERN COC(=O)Cc1c(C(F)F)ccc(C#N)c1C(F)(F)F ZINC000575387926 377896220 /nfs/dbraw/zinc/89/62/20/377896220.db2.gz YLNJPZFHVNDUAM-UHFFFAOYSA-N 0 0 293.191 3.230 10 30 CGEERN COC(=O)Cc1cc(SC(F)(F)F)cc(F)c1C#N ZINC000575390758 377899916 /nfs/dbraw/zinc/89/99/16/377899916.db2.gz YCRIOYYDNSVLOO-UHFFFAOYSA-N 0 0 293.241 3.025 10 30 CGEERN C/C=C/C(=O)c1ccccc1I ZINC000575578787 377919514 /nfs/dbraw/zinc/91/95/14/377919514.db2.gz FGQGBDMDHYVSDR-GORDUTHDSA-N 0 0 272.085 3.050 10 30 CGEERN CCOc1ccc(CC#N)c(OCC)c1OC(F)F ZINC000575648307 377927331 /nfs/dbraw/zinc/92/73/31/377927331.db2.gz LDQPLHIZUYIPHW-UHFFFAOYSA-N 0 0 271.263 3.151 10 30 CGEERN CCc1cc(CC#N)c(C#N)cc1OC(F)(F)F ZINC000575650176 377928311 /nfs/dbraw/zinc/92/83/11/377928311.db2.gz ULTSXPDKDVKLPN-UHFFFAOYSA-N 0 0 254.211 3.085 10 30 CGEERN COc1cc(CC#N)c(C(F)F)c(OC(F)F)c1 ZINC000575652011 377929438 /nfs/dbraw/zinc/92/94/38/377929438.db2.gz IYAVIYGURHLNLB-UHFFFAOYSA-N 0 0 263.190 3.300 10 30 CGEERN COc1cc(CC#N)c(C(F)F)cc1OC(F)F ZINC000575652348 377929758 /nfs/dbraw/zinc/92/97/58/377929758.db2.gz OYTYOOSBPLAOHC-UHFFFAOYSA-N 0 0 263.190 3.300 10 30 CGEERN N#Cc1cc(F)c(OC(F)(F)F)c(OC(F)F)c1 ZINC000575660781 377937065 /nfs/dbraw/zinc/93/70/65/377937065.db2.gz XUCGBXIBCWQLGW-UHFFFAOYSA-N 0 0 271.116 3.197 10 30 CGEERN N#CCc1cc(F)cc(OC(F)F)c1Br ZINC000575679954 377953888 /nfs/dbraw/zinc/95/38/88/377953888.db2.gz GPFALMOGANXRBN-UHFFFAOYSA-N 0 0 280.043 3.256 10 30 CGEERN COC(=O)Cc1cc(SC(F)(F)F)c(C)cc1C#N ZINC000575395963 377903368 /nfs/dbraw/zinc/90/33/68/377903368.db2.gz YLVBQQQMBCCXHS-UHFFFAOYSA-N 0 0 289.278 3.194 10 30 CGEERN Fc1ccc(OC(F)F)c(OC(F)(F)F)c1F ZINC000575396790 377903743 /nfs/dbraw/zinc/90/37/43/377903743.db2.gz OEULTNDBMIUVJB-UHFFFAOYSA-N 0 0 264.096 3.465 10 30 CGEERN Nc1c(OC(F)(F)F)ccc(F)c1C(F)(F)F ZINC000575397321 377903753 /nfs/dbraw/zinc/90/37/53/377903753.db2.gz HAOQTCQQCPJFSD-UHFFFAOYSA-N 0 0 263.112 3.325 10 30 CGEERN C=C[C@@H](C)Nc1ccc(I)cc1F ZINC000575493920 377914570 /nfs/dbraw/zinc/91/45/70/377914570.db2.gz VWGJFHUYOKUVCP-SSDOTTSWSA-N 0 0 291.107 3.417 10 30 CGEERN Cc1cc(Br)cc(OC(F)F)c1C#N ZINC000575683819 377957862 /nfs/dbraw/zinc/95/78/62/377957862.db2.gz SOZXXKQYOKHNRG-UHFFFAOYSA-N 0 0 262.053 3.231 10 30 CGEERN Cc1ccc(Br)c(OC(F)F)c1C#N ZINC000575683632 377958007 /nfs/dbraw/zinc/95/80/07/377958007.db2.gz QXIJGZYBZPGYDE-UHFFFAOYSA-N 0 0 262.053 3.231 10 30 CGEERN COc1cc(Br)c(CC#N)c(C(F)F)c1 ZINC000575685581 377960397 /nfs/dbraw/zinc/96/03/97/377960397.db2.gz MSRRHGAXDVCNON-UHFFFAOYSA-N 0 0 276.080 3.461 10 30 CGEERN CCc1ccc(I)c(CC#N)c1C ZINC000575706353 377977951 /nfs/dbraw/zinc/97/79/51/377977951.db2.gz QCQCCDPAJZNXBA-UHFFFAOYSA-N 0 0 285.128 3.228 10 30 CGEERN Cc1ccnc(N[C@@H](C)COCc2ccccc2)c1C#N ZINC000343432615 377977964 /nfs/dbraw/zinc/97/79/64/377977964.db2.gz HGFIGZWOJMCFJN-AWEZNQCLSA-N 0 0 281.359 3.279 10 30 CGEERN CCc1cc([N+](=O)[O-])cc(OC(F)(F)F)c1CC#N ZINC000575706819 377979613 /nfs/dbraw/zinc/97/96/13/377979613.db2.gz WYXRCMZGXHUQKJ-UHFFFAOYSA-N 0 0 274.198 3.122 10 30 CGEERN N#Cc1ccc(N[C@H]2CCC[C@@H](C(F)(F)F)C2)cn1 ZINC000267420453 190329500 /nfs/dbraw/zinc/32/95/00/190329500.db2.gz UIMHRHVMBUNMCU-ZJUUUORDSA-N 0 0 269.270 3.486 10 30 CGEERN Cc1cccc2ncnc(N[C@H]3CCC[C@@H]3C#N)c12 ZINC000408351020 380005694 /nfs/dbraw/zinc/00/56/94/380005694.db2.gz BECGYQITUTUFJG-NEPJUHHUSA-N 0 0 252.321 3.042 10 30 CGEERN Cc1cccc2c(N[C@@H]3CCC[C@H]3C#N)ncnc12 ZINC000408361592 380005817 /nfs/dbraw/zinc/00/58/17/380005817.db2.gz HTZNRXOLIFXKBI-WCQYABFASA-N 0 0 252.321 3.042 10 30 CGEERN O=C1/C(=C/c2cccnc2)CS/C1=C\c1cccnc1 ZINC000004789618 296312762 /nfs/dbraw/zinc/31/27/62/296312762.db2.gz PLCJKZIVBVDKKJ-GOBHWCIESA-N 0 0 280.352 3.217 10 30 CGEERN COc1cccc(/C=N\c2ccc(N(C)C(C)=O)cc2)c1 ZINC000000524356 169662086 /nfs/dbraw/zinc/66/20/86/169662086.db2.gz QWTDRZPKFDICOX-PDGQHHTCSA-N 0 0 282.343 3.429 10 30 CGEERN C[C@@H](NC(=O)C1(C2CC2)CCOCC1)c1ccccn1 ZINC000329606936 533098743 /nfs/dbraw/zinc/09/87/43/533098743.db2.gz IFNMALNFCQNZCV-GFCCVEGCSA-N 0 0 274.364 3.306 10 30 CGEERN Cc1cnc([C@H](C)NC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)o1 ZINC000329438213 542446730 /nfs/dbraw/zinc/44/67/30/542446730.db2.gz MJFKVLJFLGYQIO-ACJTYDJDSA-N 0 0 290.363 3.396 10 30 CGEERN O=C(N[C@@H]1CCCNC1=O)C1(Cc2ccccc2)CCC1 ZINC000329832908 542449470 /nfs/dbraw/zinc/44/94/70/542449470.db2.gz LDFDPJWWVHZOOS-CQSZACIVSA-N 0 0 286.375 3.475 10 30 CGEERN O=C(NC[C@@H]1CCCC[C@@H]1O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000329798748 542449607 /nfs/dbraw/zinc/44/96/07/542449607.db2.gz GUKDOTRMWBOHEB-NPJQDHAYSA-N 0 0 294.439 3.010 10 30 CGEERN C[C@@H](CCC1CC1)NC(=O)[C@@H]1CCO[C@H]1c1nccn1C ZINC000329038694 533520581 /nfs/dbraw/zinc/52/05/81/533520581.db2.gz NPAOGGCGTGZVOE-IACUBPJLSA-N 0 0 291.395 3.033 10 30 CGEERN CCc1nnc(CS[C@@H](C)c2cccc(C#N)c2)n1C ZINC000190821195 130149828 /nfs/dbraw/zinc/14/98/28/130149828.db2.gz MADYFUVPZJJSAL-NSHDSACASA-N 0 0 286.404 3.244 10 30 CGEERN Cc1cc(Oc2ccc([N+](=O)[O-])cc2)c(C#N)c(C)n1 ZINC000156604404 392547662 /nfs/dbraw/zinc/54/76/62/392547662.db2.gz JVOIOLZDFHVEDS-UHFFFAOYSA-N 0 0 269.260 3.271 10 30 CGEERN C[C@@H]1c2ccsc2CCN1c1ccc(C#N)cc1N ZINC000042740556 134896507 /nfs/dbraw/zinc/89/65/07/134896507.db2.gz HHBKSNJRHSOUDP-SNVBAGLBSA-N 0 0 269.373 3.326 10 30 CGEERN N#Cc1c(OCCc2ccccc2)cccc1[N+](=O)[O-] ZINC000204253428 397665622 /nfs/dbraw/zinc/66/56/22/397665622.db2.gz LGPOHURRYMXMQD-UHFFFAOYSA-N 0 0 268.272 3.088 10 30 CGEERN S[C@@H]1CCOC[C@H]1Cc1ccc(Br)cc1 ZINC000095078954 296597274 /nfs/dbraw/zinc/59/72/74/296597274.db2.gz JDEILJTZNQLHJT-ZYHUDNBSSA-N 0 0 287.222 3.327 10 30 CGEERN Fc1ccc(C=NNc2nc3ccccc3[nH]2)cc1F ZINC000004864355 170032525 /nfs/dbraw/zinc/03/25/25/170032525.db2.gz PBNOFRNDWOUJHM-CAOOACKPSA-N 0 0 272.258 3.287 10 30 CGEERN COc1cccc(CN=Nc2ccccc2[N+](=O)[O-])c1 ZINC000005361544 170089532 /nfs/dbraw/zinc/08/95/32/170089532.db2.gz YYTIAHRXACQYMG-XNTDXEJSSA-N 0 0 271.276 3.049 10 30 CGEERN CCN(C(=S)NCCCOC)c1ccc(C)cc1 ZINC000005499529 170104821 /nfs/dbraw/zinc/10/48/21/170104821.db2.gz JPDYJVBYOVPWSY-UHFFFAOYSA-N 0 0 266.410 3.144 10 30 CGEERN Cc1ccc(C#N)c(SCC(=O)Nc2ccccc2C)n1 ZINC000005588546 170116778 /nfs/dbraw/zinc/11/67/78/170116778.db2.gz BZHZEKIWIBSKNO-UHFFFAOYSA-N 0 0 297.383 3.301 10 30 CGEERN CCC(CC)C(=O)Nc1sc(C(=O)OC)c(C)c1C#N ZINC000005917509 170155270 /nfs/dbraw/zinc/15/52/70/170155270.db2.gz MSUVAYMUFJYNGL-UHFFFAOYSA-N 0 0 294.376 3.090 10 30 CGEERN CC(C)(C)c1ccc(C(=O)N2CCC(=NO)CC2)cc1 ZINC000019473482 170805798 /nfs/dbraw/zinc/80/57/98/170805798.db2.gz CUDRWHQXZRQUIQ-UHFFFAOYSA-N 0 0 274.364 3.050 10 30 CGEERN N#Cc1ccc(NC(=O)CCOC2CCCCC2)cc1 ZINC000019847173 170896423 /nfs/dbraw/zinc/89/64/23/170896423.db2.gz RUJXPDXKLNWACW-UHFFFAOYSA-N 0 0 272.348 3.236 10 30 CGEERN C=CCNC(=O)[C@H](C)Nc1ccc(Cl)c(Cl)c1 ZINC000020313061 171144955 /nfs/dbraw/zinc/14/49/55/171144955.db2.gz OUDWRSYVWWSUBW-QMMMGPOBSA-N 0 0 273.163 3.096 10 30 CGEERN C=CCNC(=O)[C@@H](C)Nc1ccccc1-c1ccccc1 ZINC000020359842 171158810 /nfs/dbraw/zinc/15/88/10/171158810.db2.gz IVDWAFUOVOGXSS-CQSZACIVSA-N 0 0 280.371 3.456 10 30 CGEERN N#Cc1ccccc1NC(=O)c1ccc(Cl)cc1N ZINC000022219296 171376897 /nfs/dbraw/zinc/37/68/97/171376897.db2.gz NVGFPRAGBXOZSS-UHFFFAOYSA-N 0 0 271.707 3.046 10 30 CGEERN Cc1ccc(NCc2cccc(C#N)c2)cc1[N+](=O)[O-] ZINC000035222609 172065754 /nfs/dbraw/zinc/06/57/54/172065754.db2.gz LIFJGDLURNOXCY-UHFFFAOYSA-N 0 0 267.288 3.387 10 30 CGEERN N#C[C@@H](NC1CCCCC1)c1cc(F)ccc1F ZINC000037969548 173917899 /nfs/dbraw/zinc/91/78/99/173917899.db2.gz NXLDEFCSQJZRSG-CQSZACIVSA-N 0 0 250.292 3.452 10 30 CGEERN CCN(CC)[C@@H](C#N)c1ccc(OC)c(Br)c1 ZINC000038052563 174064046 /nfs/dbraw/zinc/06/40/46/174064046.db2.gz ZCIAYMTWDTYMMV-LBPRGKRZSA-N 0 0 297.196 3.364 10 30 CGEERN COc1ccc([C@H](C#N)NCC2CC2)cc1Br ZINC000038052305 174064109 /nfs/dbraw/zinc/06/41/09/174064109.db2.gz QNCLWJIEZLISFW-LBPRGKRZSA-N 0 0 295.180 3.022 10 30 CGEERN CCC[C@@H](C#N)NC(=O)Nc1ccc(C)c(Cl)c1 ZINC000040220805 174207106 /nfs/dbraw/zinc/20/71/06/174207106.db2.gz PVNYVZYDGKFURI-NSHDSACASA-N 0 0 265.744 3.462 10 30 CGEERN C=CCNc1ncnc(Nc2cc(C)cc(C)c2)c1N ZINC000040681776 174375327 /nfs/dbraw/zinc/37/53/27/174375327.db2.gz BBCSNQTVZSKQPW-UHFFFAOYSA-N 0 0 269.352 3.017 10 30 CGEERN CC(C)(C#N)C(=O)Nc1ccccc1C(F)(F)F ZINC000044752413 175245604 /nfs/dbraw/zinc/24/56/04/175245604.db2.gz XSFKEOKNYBQMAU-UHFFFAOYSA-N 0 0 256.227 3.194 10 30 CGEERN CC(C)(C)OC(=O)N1CCC(CCCS)CC1 ZINC000078242344 177328082 /nfs/dbraw/zinc/32/80/82/177328082.db2.gz QVMFGYXSLBGXIV-UHFFFAOYSA-N 0 0 259.415 3.344 10 30 CGEERN SCc1noc2c1Cc1ccc(Br)cc1-2 ZINC000725253107 544112735 /nfs/dbraw/zinc/11/27/35/544112735.db2.gz WSNQGQZEPYXZTL-UHFFFAOYSA-N 0 0 282.162 3.438 10 30 CGEERN Cn1cc(NC(=O)N2C[C@@H]3CCC[C@@H]32)c(-c2ccccc2)n1 ZINC000329549715 227594630 /nfs/dbraw/zinc/59/46/30/227594630.db2.gz PBUJDLRORGGKJN-ZFWWWQNUSA-N 0 0 296.374 3.117 10 30 CGEERN C[C@@H]1C[C@H](C(=O)NC[C@H](CO)[C@H]2CCOC2)CC(C)(C)C1 ZINC000330066827 228031372 /nfs/dbraw/zinc/03/13/72/228031372.db2.gz FBQIYCSELNXXKC-CBBWQLFWSA-N 0 0 297.439 3.050 10 30 CGEERN Cc1coc2ccc(NC(=O)[C@@H](C)N3CCOCC3)cc12 ZINC000330079314 228034306 /nfs/dbraw/zinc/03/43/06/228034306.db2.gz FXMNIUJHSJIPRB-GFCCVEGCSA-N 0 0 288.347 3.050 10 30 CGEERN Cc1onc(-c2ccccn2)c1C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000330091730 228037681 /nfs/dbraw/zinc/03/76/81/228037681.db2.gz YAGNCTZRQIATGU-NWDGAFQWSA-N 0 0 296.330 3.042 10 30 CGEERN CCn1ncc2ccc(NC(=O)N3CC[C@@H]4CCC[C@H]43)cc21 ZINC000330262058 228084641 /nfs/dbraw/zinc/08/46/41/228084641.db2.gz UQIIKQBYHQYMDN-SWLSCSKDSA-N 0 0 298.390 3.476 10 30 CGEERN C[C@H]1OCC[C@H]1NC(=O)Nc1cccc2ccsc21 ZINC000330322442 228147625 /nfs/dbraw/zinc/14/76/25/228147625.db2.gz GURXZHGAYVTCCM-MWLCHTKSSA-N 0 0 276.361 3.405 10 30 CGEERN Cc1nn(C)c(Oc2cc(C)c(N)cc2C(C)C)c1C#N ZINC000087465644 259085288 /nfs/dbraw/zinc/08/52/88/259085288.db2.gz ZGXNEJHWVRGWAI-UHFFFAOYSA-N 0 0 284.363 3.407 10 30 CGEERN C=CCC[C@H](C)Nc1cc(NC(C)=O)ccc1OC ZINC000130586439 260397434 /nfs/dbraw/zinc/39/74/34/260397434.db2.gz SHMCPQOKZNBBPE-NSHDSACASA-N 0 0 262.353 3.420 10 30 CGEERN Cc1nc(CCNC(=O)[C@@H]2CCC(F)(F)C2)c(C)o1 ZINC000330110153 262381619 /nfs/dbraw/zinc/38/16/19/262381619.db2.gz QFAFHWCCUUFOOI-SNVBAGLBSA-N 0 0 272.295 3.226 10 30 CGEERN N#C[C@H]1CCC[C@H]1NCc1csc(Br)c1 ZINC000061891978 262405734 /nfs/dbraw/zinc/40/57/34/262405734.db2.gz PEKFFYVSBGTLJV-NXEZZACHSA-N 0 0 285.210 3.292 10 30 CGEERN C=CCCS(=O)(=O)N1CCCC[C@H]1c1ccc(C)o1 ZINC000120925667 263288212 /nfs/dbraw/zinc/28/82/12/263288212.db2.gz OVLITTMDPOJJSX-ZDUSSCGKSA-N 0 0 283.393 3.021 10 30 CGEERN O=C(Nc1cccc(-c2ncco2)c1)N1C[C@@H]2CCC[C@@H]21 ZINC000328773022 263860076 /nfs/dbraw/zinc/86/00/76/263860076.db2.gz RQVYDCWCZLEPMK-JSGCOSHPSA-N 0 0 283.331 3.371 10 30 CGEERN CCC[C@@H]1C[C@@H]1NC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000328804632 263863886 /nfs/dbraw/zinc/86/38/86/263863886.db2.gz CUSFGTQUKJGBJM-GZBLMMOJSA-N 0 0 292.423 3.026 10 30 CGEERN C=CCC[C@H](NCc1nnc(CC)n1C)c1ccccc1 ZINC000180035742 264390036 /nfs/dbraw/zinc/39/00/36/264390036.db2.gz FXDACWNLEIBGJE-HNNXBMFYSA-N 0 0 284.407 3.175 10 30 CGEERN C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)C(C)C ZINC000063400158 264649054 /nfs/dbraw/zinc/64/90/54/264649054.db2.gz LIQOJJIQGRJQHD-AWEZNQCLSA-N 0 0 285.391 3.300 10 30 CGEERN CC(C)[C@H](C(=O)N[C@@H]1C[C@@H]2OCCC[C@@H]12)c1ccncc1 ZINC000329338524 275693815 /nfs/dbraw/zinc/69/38/15/275693815.db2.gz NCNDYZDBCAIDES-FZKCQIBNSA-N 0 0 288.391 3.345 10 30 CGEERN COc1ccc(C#CC(=O)c2ccc(C)cc2)cc1 ZINC000022004620 277870002 /nfs/dbraw/zinc/87/00/02/277870002.db2.gz BOSHTTVFWJQGKH-UHFFFAOYSA-N 0 0 250.297 3.238 10 30 CGEERN CC(C)[C@H](C(=O)NC[C@H]1CCCCO1)c1ccncc1 ZINC000329235618 280133922 /nfs/dbraw/zinc/13/39/22/280133922.db2.gz ITVGMCDGJQDURC-CABCVRRESA-N 0 0 276.380 3.347 10 30 CGEERN Cc1onc(-c2c(Cl)cccc2Cl)c1/C=N\N ZINC000033376821 294061322 /nfs/dbraw/zinc/06/13/22/294061322.db2.gz SABNVIQGDYYDKG-WCSRMQSCSA-N 0 0 270.119 3.249 10 30 CGEERN Cc1ccnc(N2CCCC[C@H]2c2nccs2)c1C#N ZINC000273408738 302270549 /nfs/dbraw/zinc/27/05/49/302270549.db2.gz XFXNIACIDMATFI-ZDUSSCGKSA-N 0 0 284.388 3.450 10 30 CGEERN CC(C)(C#N)CC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000408274347 327376951 /nfs/dbraw/zinc/37/69/51/327376951.db2.gz KNDOLUKQPBJYJR-UWVGGRQHSA-N 0 0 276.302 3.164 10 30 CGEERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)Nc1ccc(CC#N)cc1 ZINC000117581626 328941422 /nfs/dbraw/zinc/94/14/22/328941422.db2.gz YVPXIYLVABGDEK-PXAZEXFGSA-N 0 0 292.338 3.256 10 30 CGEERN Cc1c(Cl)cccc1C(=O)N[C@H]1CCC[C@H]1C#N ZINC000219678927 329171922 /nfs/dbraw/zinc/17/19/22/329171922.db2.gz LAMWTBNKUOJRBY-GWCFXTLKSA-N 0 0 262.740 3.071 10 30 CGEERN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000185543666 329326360 /nfs/dbraw/zinc/32/63/60/329326360.db2.gz LOEJQWHJZPZTCM-SWLSCSKDSA-N 0 0 289.423 3.303 10 30 CGEERN C=C(C)C[C@H](C)C(=O)N1CCO[C@H](c2ccc(C)o2)C1 ZINC000185943660 329333164 /nfs/dbraw/zinc/33/31/64/329333164.db2.gz FDESXPWNZAMRFI-WFASDCNBSA-N 0 0 277.364 3.090 10 30 CGEERN C=CCCCC(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189818828 329389172 /nfs/dbraw/zinc/38/91/72/329389172.db2.gz QOPMATZIOOSEJO-UHFFFAOYSA-N 0 0 285.387 3.438 10 30 CGEERN C=CCCC(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189838617 329389423 /nfs/dbraw/zinc/38/94/23/329389423.db2.gz JLMGPPRGQCFTSX-UHFFFAOYSA-N 0 0 271.360 3.048 10 30 CGEERN C#CCCCC(=O)N1CC=C(c2cccs2)CC1 ZINC000192326858 329431588 /nfs/dbraw/zinc/43/15/88/329431588.db2.gz IOWGXPNJMKDBSY-UHFFFAOYSA-N 0 0 259.374 3.167 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)Nc1cccc(Cl)c1 ZINC000061889360 329681418 /nfs/dbraw/zinc/68/14/18/329681418.db2.gz WSOVRWSMHYIOBU-SKDRFNHKSA-N 0 0 263.728 3.154 10 30 CGEERN Cc1csc(C(=O)N[C@H]2CCC[C@H]2C#N)c1Cl ZINC000235964214 329684178 /nfs/dbraw/zinc/68/41/78/329684178.db2.gz RNQXTSLDCLMGIU-IUCAKERBSA-N 0 0 268.769 3.132 10 30 CGEERN C=CCCS(=O)(=O)N[C@H](C)c1ccc(CC(C)C)cc1 ZINC000480950598 331792547 /nfs/dbraw/zinc/79/25/47/331792547.db2.gz JJXRJDHICCVFQW-CQSZACIVSA-N 0 0 295.448 3.442 10 30 CGEERN C=CCCS(=O)(=O)N[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000480950597 331792551 /nfs/dbraw/zinc/79/25/51/331792551.db2.gz JJXRJDHICCVFQW-AWEZNQCLSA-N 0 0 295.448 3.442 10 30 CGEERN N#C[C@H]1CCC[C@H]1NCc1ccc(OC(F)(F)F)cc1 ZINC000061891162 333475050 /nfs/dbraw/zinc/47/50/50/333475050.db2.gz MIZSIXXKVLMLSI-DGCLKSJQSA-N 0 0 284.281 3.367 10 30 CGEERN CC(C)[C@@H](C)CC(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 ZINC000247536865 334284765 /nfs/dbraw/zinc/28/47/65/334284765.db2.gz QFDINBKLMAGPPQ-IPYPFGDCSA-N 0 0 250.386 3.257 10 30 CGEERN N#CC1(C(=O)N[C@H]2CCCc3cc(F)ccc32)CCCC1 ZINC000157764517 334783562 /nfs/dbraw/zinc/78/35/62/334783562.db2.gz QHVWUJYHPXDVFL-HNNXBMFYSA-N 0 0 286.350 3.403 10 30 CGEERN CCCN[C@@H](C#N)CCOc1ccc(C(C)C)cc1 ZINC000062445482 519983704 /nfs/dbraw/zinc/98/37/04/519983704.db2.gz LLMVZXLVDWYPAW-OAHLLOKOSA-N 0 0 260.381 3.471 10 30 CGEERN Cc1csc(C(=O)N[C@@H]2CCC[C@H]2C#N)c1Cl ZINC000235963369 500996080 /nfs/dbraw/zinc/99/60/80/500996080.db2.gz RNQXTSLDCLMGIU-DTWKUNHWSA-N 0 0 268.769 3.132 10 30 CGEERN CCC[C@](C)(Nc1cccc(Cl)c1C#N)C(=O)OC ZINC000052908358 521284758 /nfs/dbraw/zinc/28/47/58/521284758.db2.gz WXWCRTUSOSYOJH-AWEZNQCLSA-N 0 0 280.755 3.355 10 30 CGEERN C[C@@H](c1noc([C@@]2(C#N)CC23CCCC3)n1)C1CC1 ZINC000333853131 534137993 /nfs/dbraw/zinc/13/79/93/534137993.db2.gz PWLDGERNSMRMSL-BMIGLBTASA-N 0 0 257.337 3.309 10 30 CGEERN C=CC[C@@H]1CC=C[C@@H](C)[N@H+]1Cc1ccccc1C(=O)[O-] ZINC000067724523 519107259 /nfs/dbraw/zinc/10/72/59/519107259.db2.gz GHQCXTYRHPFENM-UKRRQHHQSA-N 0 0 271.360 3.480 10 30 CGEERN CC[C@@H](NCc1cccnc1C#N)c1cccs1 ZINC000061658374 522884257 /nfs/dbraw/zinc/88/42/57/522884257.db2.gz FRPATDOBSYGPNR-GFCCVEGCSA-N 0 0 257.362 3.256 10 30 CGEERN O=C(N[C@@H]1CCCNC1=O)c1scnc1C1CCCC1 ZINC000329510037 534760611 /nfs/dbraw/zinc/76/06/11/534760611.db2.gz JWZVFCAVGYWDIE-SNVBAGLBSA-N 0 0 293.392 3.224 10 30 CGEERN N#Cc1ccc(N2CCO[C@@H]3CCCC[C@@H]32)c(Cl)c1 ZINC000062793817 526646421 /nfs/dbraw/zinc/64/64/21/526646421.db2.gz MWMFMLRMPOEIJY-LSDHHAIUSA-N 0 0 276.767 3.359 10 30 CGEERN Cc1nc(C)c([C@@H](C)N[C@H]2CCCC[C@@H]2C#N)s1 ZINC000054826147 526747337 /nfs/dbraw/zinc/74/73/37/526747337.db2.gz GQMWIEYHANBATC-RTXFEEFZSA-N 0 0 263.410 3.493 10 30 CGEERN N/C(=N/O)c1c(Cl)cccc1Oc1ccc(F)cc1 ZINC000052906681 526802289 /nfs/dbraw/zinc/80/22/89/526802289.db2.gz ODGIKVZUYFTZBK-UHFFFAOYSA-N 0 0 280.686 3.366 10 30 CGEERN CC(C)[C@@H]1N(C(=O)N[C@@H]2CCC[C@@H]2C#N)CC12CCCC2 ZINC000333679941 528808112 /nfs/dbraw/zinc/80/81/12/528808112.db2.gz ZQSMKYGCMWCDHY-KFWWJZLASA-N 0 0 289.423 3.289 10 30 CGEERN N#C[C@@H]1CCC[C@H]1Nc1cc(C2CC2)nc(C2CC2)n1 ZINC000892795746 618937555 /nfs/dbraw/zinc/93/75/55/618937555.db2.gz FFWPGXYHKPCPRW-QWHCGFSZSA-N 0 0 268.364 3.336 10 30 CGEERN N#C[C@H]1CCC[C@@H]1Nc1cc(C2CC2)nc(C2CC2)n1 ZINC000892795744 618937766 /nfs/dbraw/zinc/93/77/66/618937766.db2.gz FFWPGXYHKPCPRW-OLZOCXBDSA-N 0 0 268.364 3.336 10 30 CGEERN C#CCCCNC(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000179233863 620373767 /nfs/dbraw/zinc/37/37/67/620373767.db2.gz DMKCUFIUAUZCCQ-CJNGLKHVSA-N 0 0 270.376 3.338 10 30 CGEERN C#C[C@H](C)NC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000185974249 625499516 /nfs/dbraw/zinc/49/95/16/625499516.db2.gz AKLRJDIRQYFPFD-QWHCGFSZSA-N 0 0 266.344 3.222 10 30 CGEERN Cc1ccc(C#N)cc1OS(=O)(=O)/C=C/c1ccccc1 ZINC000150979468 622710983 /nfs/dbraw/zinc/71/09/83/622710983.db2.gz AVHDCYFPHYNLEM-MDZDMXLPSA-N 0 0 299.351 3.246 10 30 CGEERN CC(=O)[C@@H]1CCCN(c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000163882254 622805068 /nfs/dbraw/zinc/80/50/68/622805068.db2.gz SITPSISSYNEDGT-LLVKDONJSA-N 0 0 296.292 3.382 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000061891865 623186498 /nfs/dbraw/zinc/18/64/98/623186498.db2.gz JBGHVSSUSLUXCM-ZANVPECISA-N 0 0 279.727 3.030 10 30 CGEERN C=CCOCCCC(=O)O[C@@H](C)c1cccs1 ZINC000174141485 623365237 /nfs/dbraw/zinc/36/52/37/623365237.db2.gz CBDYWSKAVGWVCR-NSHDSACASA-N 0 0 254.351 3.335 10 30 CGEERN C#C[C@H](C)OC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000174467984 623397221 /nfs/dbraw/zinc/39/72/21/623397221.db2.gz RWFFYQUSYJWJRZ-ZWKOPEQDSA-N 0 0 293.160 3.118 10 30 CGEERN C#CCOc1ccc(F)cc1NCc1cc(C)ccc1O ZINC000174535672 623403286 /nfs/dbraw/zinc/40/32/86/623403286.db2.gz KDXANFDVKIJSTM-UHFFFAOYSA-N 0 0 285.318 3.464 10 30 CGEERN C#CCCCCC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000179699322 624676564 /nfs/dbraw/zinc/67/65/64/624676564.db2.gz OUIWNSICEDJUBP-VXGBXAGGSA-N 0 0 275.314 3.417 10 30 CGEERN C=C[C@H](CC)OC(=O)C1(c2ccccc2)CCOCC1 ZINC000181225491 624829164 /nfs/dbraw/zinc/82/91/64/624829164.db2.gz ZJJKGPALPFWFJG-OAHLLOKOSA-N 0 0 274.360 3.243 10 30 CGEERN N#CC1(COC(=O)c2cccc3cc[nH]c32)CCCC1 ZINC000183897203 625166269 /nfs/dbraw/zinc/16/62/69/625166269.db2.gz SFGRKHKQXVUSMG-UHFFFAOYSA-N 0 0 268.316 3.409 10 30 CGEERN CCO[C@H]1C[C@H](OC(=O)c2cccc(C#N)c2)C12CCCC2 ZINC000119717812 629696195 /nfs/dbraw/zinc/69/61/95/629696195.db2.gz WQUUILHQXHMQNX-HOTGVXAUSA-N 0 0 299.370 3.453 10 30 CGEERN C=CCc1cc(OCC)ccc1OC(=O)c1ncoc1C ZINC000105755366 636002685 /nfs/dbraw/zinc/00/26/85/636002685.db2.gz CDVBRJWPNFXANE-UHFFFAOYSA-N 0 0 287.315 3.329 10 30 CGEERN CCCCCCCCC(=O)N1C[C@H](C(=O)OC)[C@H](C)C1 ZINC000128957526 636101181 /nfs/dbraw/zinc/10/11/81/636101181.db2.gz JGWHDCYYAVEIFY-KGLIPLIRSA-N 0 0 283.412 3.005 10 30 CGEERN CCCCCCCC(=O)N1CCC[C@H]1CCCO ZINC000107367010 636528032 /nfs/dbraw/zinc/52/80/32/636528032.db2.gz JHXIWFNBOVNWGL-AWEZNQCLSA-N 0 0 255.402 3.110 10 30 CGEERN C=CCCO[C@H](C)C(=O)O[C@H](C)c1cccs1 ZINC000194564205 640540561 /nfs/dbraw/zinc/54/05/61/640540561.db2.gz BRSABMZDPCFFRA-GHMZBOCLSA-N 0 0 254.351 3.334 10 30 CGEERN O=C(c1ccccc1Cl)N(O)Cc1ccccc1 ZINC000196409852 640602539 /nfs/dbraw/zinc/60/25/39/640602539.db2.gz FXUDELVSKRJNKS-UHFFFAOYSA-N 0 0 261.708 3.372 10 30 CGEERN COc1cc(C(=O)/C=C\c2cocn2)ccc1OC(F)F ZINC000588561425 799711494 /nfs/dbraw/zinc/71/14/94/799711494.db2.gz MDCLBARKAWWFFF-ARJAWSKDSA-N 0 0 295.241 3.181 10 30 CGEERN Cc1nn(-c2ccccc2)c(C)c1C(=O)/C=C\c1cocn1 ZINC000588561428 799711678 /nfs/dbraw/zinc/71/16/78/799711678.db2.gz MUZXOHRGZNPMSO-HJWRWDBZSA-N 0 0 293.326 3.373 10 30 CGEERN C/C=C(\CC)C(=O)OC[C@@H](C#N)Cc1cccs1 ZINC000588570162 799714659 /nfs/dbraw/zinc/71/46/59/799714659.db2.gz YHEMVOHYPWQOBO-HXYGYBKVSA-N 0 0 263.362 3.330 10 30 CGEERN C[C@@H]1Sc2sccc2C(=O)/C1=C\c1cocn1 ZINC000588579026 799716847 /nfs/dbraw/zinc/71/68/47/799716847.db2.gz LANOUMRTSKMGQW-SOBCLFBASA-N 0 0 263.343 3.497 10 30 CGEERN O=C(/C=C\c1cocn1)c1cccc(OC(F)F)c1 ZINC000588581131 799717005 /nfs/dbraw/zinc/71/70/05/799717005.db2.gz LKIOQTCBPXTDTR-PLNGDYQASA-N 0 0 265.215 3.172 10 30 CGEERN Cc1ccoc1C(=O)/C=C\c1ccc2c(c1)sc(=O)n2C ZINC000588598782 799720231 /nfs/dbraw/zinc/72/02/31/799720231.db2.gz BGMHEBPNXZZSMG-XQRVVYSFSA-N 0 0 299.351 3.398 10 30 CGEERN CC[C@](C)(OC)c1noc([C@]2(C#N)CC23CCCC3)n1 ZINC000333860568 529380729 /nfs/dbraw/zinc/38/07/29/529380729.db2.gz RPZCUAWSYIIFOQ-DZGCQCFKSA-N 0 0 275.352 3.067 10 30 CGEERN O=C(/C=C\N(O)CCc1ccccc1)c1ccc(F)cc1 ZINC000027326135 344909368 /nfs/dbraw/zinc/90/93/68/344909368.db2.gz KIAVJOXMWVVZJL-QBFSEMIESA-N 0 0 285.318 3.456 10 30 CGEERN C=C(COS(=O)(=O)c1ccc(C)cc1)C(C)(C)C ZINC000036431674 344943799 /nfs/dbraw/zinc/94/37/99/344943799.db2.gz CDCMPWYLAKHVHA-UHFFFAOYSA-N 0 0 268.378 3.303 10 30 CGEERN CCCCCCCCCCCCC[C@@H](O)[C@H]1O[C@H]1C(N)=O ZINC000043397081 344997717 /nfs/dbraw/zinc/99/77/17/344997717.db2.gz KAFCGPFRECKQJK-BZUAXINKSA-N 0 0 299.455 3.301 10 30 CGEERN C[C@@H](C#N)CC(=O)c1ccc(F)c(Br)c1 ZINC000043368248 344997807 /nfs/dbraw/zinc/99/78/07/344997807.db2.gz QQHDTWGRXGCTFB-SSDOTTSWSA-N 0 0 270.101 3.321 10 30 CGEERN O=C1N/C(=N/Cc2ccccc2)S[C@H]1c1ccccc1 ZINC000044175692 345006803 /nfs/dbraw/zinc/00/68/03/345006803.db2.gz IKYDGCVFMGKCMM-AWEZNQCLSA-N 0 0 282.368 3.147 10 30 CGEERN N#C[C@@H]1CCCC[C@@H]1NCc1ccc(F)c(F)c1 ZINC000054827370 345139992 /nfs/dbraw/zinc/13/99/92/345139992.db2.gz GWMOINAUZALRRB-FZMZJTMJSA-N 0 0 250.292 3.137 10 30 CGEERN N#Cc1ccccc1COc1cncc(Br)c1 ZINC000070486639 345391287 /nfs/dbraw/zinc/39/12/87/345391287.db2.gz KYFYCLKOWZCZBI-UHFFFAOYSA-N 0 0 289.132 3.295 10 30 CGEERN N#Cc1ccc(COc2cncc(Br)c2)cc1 ZINC000070536032 345391861 /nfs/dbraw/zinc/39/18/61/345391861.db2.gz AQUONHNUPAPBHL-UHFFFAOYSA-N 0 0 289.132 3.295 10 30 CGEERN CCOC(=O)CC[C@H](C)Nc1ccc(Cl)cc1C#N ZINC000089656952 345772807 /nfs/dbraw/zinc/77/28/07/345772807.db2.gz NYRANGSKRPRECZ-JTQLQIEISA-N 0 0 280.755 3.355 10 30 CGEERN N#Cc1c(Cl)nsc1N1CCCC[C@@H]1c1cn[nH]c1 ZINC000092666843 345850925 /nfs/dbraw/zinc/85/09/25/345850925.db2.gz HVLDKCNUQCANSB-SNVBAGLBSA-N 0 0 293.783 3.123 10 30 CGEERN N#Cc1ccc(Oc2ccc3c(c2)CC[C@@H]3O)cc1 ZINC000114179415 345963803 /nfs/dbraw/zinc/96/38/03/345963803.db2.gz APXBXIUYTIHSJQ-INIZCTEOSA-N 0 0 251.285 3.330 10 30 CGEERN N#CCc1nc(-c2ccc(Br)o2)cs1 ZINC000131791379 346067522 /nfs/dbraw/zinc/06/75/22/346067522.db2.gz TYQLMBWVALHPQR-UHFFFAOYSA-N 0 0 269.123 3.232 10 30 CGEERN C#CC[C@@H](CC)Nc1ncc(Br)cc1C ZINC000130910853 346061830 /nfs/dbraw/zinc/06/18/30/346061830.db2.gz KMCBJNQFYJDOJW-LLVKDONJSA-N 0 0 267.170 3.366 10 30 CGEERN O[C@@H](c1cc(F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000131298794 346064487 /nfs/dbraw/zinc/06/44/87/346064487.db2.gz OSMMFGZFDVPVAL-ZETCQYMHSA-N 0 0 262.124 3.440 10 30 CGEERN CCOC(=O)c1[nH]c(C(C)(C)C)nc1C#Cc1ccccc1 ZINC000144023185 346116962 /nfs/dbraw/zinc/11/69/62/346116962.db2.gz NXVIBVVDUIHKQQ-UHFFFAOYSA-N 0 0 296.370 3.284 10 30 CGEERN N#Cc1cccc(N[C@@H]2CCC[C@H]3CCCC[C@@]32O)c1 ZINC000144575825 346118311 /nfs/dbraw/zinc/11/83/11/346118311.db2.gz BXUBNESVSIBJAM-DJIMGWMZSA-N 0 0 270.376 3.444 10 30 CGEERN C[C@H](O)CCC#Cc1ccc(OC(F)(F)F)cc1 ZINC000147503522 346126577 /nfs/dbraw/zinc/12/65/77/346126577.db2.gz AQEFXNJWIWZSCG-JTQLQIEISA-N 0 0 258.239 3.098 10 30 CGEERN C=C(C)CN[C@@H](C(=O)OC(C)(C)C)c1ccccc1 ZINC000154074183 346147242 /nfs/dbraw/zinc/14/72/42/346147242.db2.gz XVNBMDDMXVLXQZ-CQSZACIVSA-N 0 0 261.365 3.235 10 30 CGEERN N#Cc1ccc(CC(=O)N2CCC[C@@H]2c2ccco2)cc1 ZINC000172242675 346217181 /nfs/dbraw/zinc/21/71/81/346217181.db2.gz MQKNZNIJFGFGJZ-OAHLLOKOSA-N 0 0 280.327 3.057 10 30 CGEERN Cc1ccccc1/[N+]([O-])=C/c1ccc(N(C)C)cc1 ZINC000225389682 346304144 /nfs/dbraw/zinc/30/41/44/346304144.db2.gz IXWVQSNJUNVZGU-UHFFFAOYSA-N 0 0 255.341 3.213 10 30 CGEERN Nc1ccc(NC=NC(=O)OCc2ccccc2)cc1 ZINC000215717877 346288822 /nfs/dbraw/zinc/28/88/22/346288822.db2.gz IHFNUFDZPGVEIN-UHFFFAOYSA-N 0 0 269.304 3.046 10 30 CGEERN CCOC(=O)C[C@H]1CCC[C@H](CCC#N)/C1=C\OC ZINC000216676692 346290349 /nfs/dbraw/zinc/29/03/49/346290349.db2.gz UHMNQWISVSSBTD-UQYIDHONSA-N 0 0 265.353 3.190 10 30 CGEERN CC(C)(O)c1ccc(C2(C#N)CCC(F)(F)CC2)cn1 ZINC000217348465 346290725 /nfs/dbraw/zinc/29/07/25/346290725.db2.gz NMXGUIDZUDMOCN-UHFFFAOYSA-N 0 0 280.318 3.280 10 30 CGEERN N#Cc1cccc(-c2nc(N)sc2Br)c1 ZINC000217744898 346291946 /nfs/dbraw/zinc/29/19/46/346291946.db2.gz MLZWBRUCQNHJGE-UHFFFAOYSA-N 0 0 280.150 3.026 10 30 CGEERN C=C[C@@H]([NH3+])c1cc(Cl)ccc1I ZINC000229298820 346316796 /nfs/dbraw/zinc/31/67/96/346316796.db2.gz MKKCPFQYTJBDCK-SECBINFHSA-N 0 0 293.535 3.130 10 30 CGEERN C#C[C@@H](CCC)Nc1nccc(C)c1Br ZINC000230004627 346319038 /nfs/dbraw/zinc/31/90/38/346319038.db2.gz AQZSLLKEBDVYMO-JTQLQIEISA-N 0 0 267.170 3.366 10 30 CGEERN C#CCC(=O)Nc1c(C)cc(C)cc1Br ZINC000235784049 346337189 /nfs/dbraw/zinc/33/71/89/346337189.db2.gz NQANLSSUQIRADB-UHFFFAOYSA-N 0 0 266.138 3.028 10 30 CGEERN CCOC(=O)c1ccc(N=Cc2ccccc2O)cc1 ZINC000254382951 346394854 /nfs/dbraw/zinc/39/48/54/346394854.db2.gz LFPLHVSNSZORMO-UHFFFAOYSA-N 0 0 269.300 3.320 10 30 CGEERN CC[C@](C)(C#N)[C@H](O)c1cscc1Br ZINC000306156868 346451259 /nfs/dbraw/zinc/45/12/59/346451259.db2.gz LKDKHAXYDVSKNQ-NXEZZACHSA-N 0 0 274.183 3.484 10 30 CGEERN C#CC(=O)c1cc(Cl)c(C)cc1Br ZINC000306231151 346452169 /nfs/dbraw/zinc/45/21/69/346452169.db2.gz JPGNOVSSVFVABI-UHFFFAOYSA-N 0 0 257.514 3.227 10 30 CGEERN Cc1cc(C#N)ccc1-c1nc(CC2CCC2)no1 ZINC000311707433 346474866 /nfs/dbraw/zinc/47/48/66/346474866.db2.gz RJDBDWWPCDTCCZ-UHFFFAOYSA-N 0 0 253.305 3.259 10 30 CGEERN N#CCc1c(N)cc(C(F)(F)F)cc1Br ZINC000396054076 346578727 /nfs/dbraw/zinc/57/87/27/346578727.db2.gz QBNIYINIVBBIPA-UHFFFAOYSA-N 0 0 279.059 3.116 10 30 CGEERN N#Cc1cc(-c2cc(Cl)ccc2Cl)ncn1 ZINC000409436485 346606100 /nfs/dbraw/zinc/60/61/00/346606100.db2.gz ATFDSGWLOFEIFR-UHFFFAOYSA-N 0 0 250.088 3.322 10 30 CGEERN C=CC[C@@H](CC)OS(=O)(=O)c1ccc(C)cc1 ZINC000584638839 346701792 /nfs/dbraw/zinc/70/17/92/346701792.db2.gz LAFGSRLKJCBCGU-GFCCVEGCSA-N 0 0 254.351 3.055 10 30 CGEERN N#Cc1ccc(-c2cnc(N)c(C(F)(F)F)c2)cc1 ZINC000584880868 346720726 /nfs/dbraw/zinc/72/07/26/346720726.db2.gz JOIKXAJUQUBBRH-UHFFFAOYSA-N 0 0 263.222 3.221 10 30 CGEERN CCOC(=O)C[C@@H](C)[C@@](C)(C#N)c1cccc(OC)c1 ZINC000584594827 346686863 /nfs/dbraw/zinc/68/68/63/346686863.db2.gz ZNAIOHMCEAXLPQ-MLGOLLRUSA-N 0 0 275.348 3.066 10 30 CGEERN CCOC(=O)C[C@H](C)[C@](C)(C#N)c1cccc(OC)c1 ZINC000584594826 346687133 /nfs/dbraw/zinc/68/71/33/346687133.db2.gz ZNAIOHMCEAXLPQ-LRDDRELGSA-N 0 0 275.348 3.066 10 30 CGEERN COc1cc(/C=C2/CC[C@H](C)CC2=O)cc(OC)c1O ZINC000584601493 346689949 /nfs/dbraw/zinc/68/99/49/346689949.db2.gz XLTDLPKFYWOVCO-BZPKPHBRSA-N 0 0 276.332 3.182 10 30 CGEERN Cc1cc(-n2ccc3ccncc32)ncc1C#CCF ZINC000584620238 346695078 /nfs/dbraw/zinc/69/50/78/346695078.db2.gz UXPQLMIRPVNHKL-UHFFFAOYSA-N 0 0 265.291 3.050 10 30 CGEERN N#C[C@H]1CCCC[C@@H]1NCc1ccncc1Br ZINC000599466043 347747098 /nfs/dbraw/zinc/74/70/98/347747098.db2.gz YOQOJRCKJTZXNK-MFKMUULPSA-N 0 0 294.196 3.016 10 30 CGEERN CC(C)(C)OC(=O)NC1(CC=O)CCC(C)(C)CC1 ZINC000616568030 348833156 /nfs/dbraw/zinc/83/31/56/348833156.db2.gz ALDPPIIYOVJGPY-UHFFFAOYSA-N 0 0 269.385 3.439 10 30 CGEERN CCOC(=O)N1CCC[C@H](c2ccc(C#N)cc2)CC1 ZINC000616626915 348850931 /nfs/dbraw/zinc/85/09/31/348850931.db2.gz FDZKAVGHQDNOAT-AWEZNQCLSA-N 0 0 272.348 3.284 10 30 CGEERN COC(=O)N1C[C@H](c2ccccc2C#N)Cc2ccccc21 ZINC000616669788 348861171 /nfs/dbraw/zinc/86/11/71/348861171.db2.gz 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/nfs/dbraw/zinc/38/03/90/368380390.db2.gz YVWRGKWPLPWMKB-BOPFTXTBSA-N 0 0 297.314 3.328 10 30 CGEERN N#CC1(c2cccc(I)c2)CCC1 ZINC000015043141 368689183 /nfs/dbraw/zinc/68/91/83/368689183.db2.gz BVYQQMMIEIELOM-UHFFFAOYSA-N 0 0 283.112 3.236 10 30 CGEERN Cc1cccc2c1ccc1c2C2=C(C(=O)C1=O)[C@H](C)CO2 ZINC000028702246 368887809 /nfs/dbraw/zinc/88/78/09/368887809.db2.gz KWKITVVBQQLHBB-SNVBAGLBSA-N 0 0 278.307 3.291 10 30 biogenic,in-vitro CGEERN CCCCCCC/C=C\[C@H](O)C#CC#CCCCO ZINC000036080176 369007494 /nfs/dbraw/zinc/00/74/94/369007494.db2.gz OZXJUTMPBYVTKB-IFCKCIONSA-N 0 0 262.393 3.043 10 30 in-vitro CGEERN N#Cc1ccc(NC(=O)N[C@H]2CCOc3ccccc32)cc1 ZINC000045027418 369272948 /nfs/dbraw/zinc/27/29/48/369272948.db2.gz PDIFSCAMDCGGGX-HNNXBMFYSA-N 0 0 293.326 3.204 10 30 CGEERN N#CCC[C@@H](C#N)CN1CC=C(c2ccccc2)CC1 ZINC000046437946 369294160 /nfs/dbraw/zinc/29/41/60/369294160.db2.gz JRFDGTMUIOSWNH-HNNXBMFYSA-N 0 0 265.360 3.219 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NCc1cc(F)ccc1Br ZINC000054825898 369507407 /nfs/dbraw/zinc/50/74/07/369507407.db2.gz PDWONLPSMMCNDY-RNCFNFMXSA-N 0 0 297.171 3.370 10 30 CGEERN CC(C)Oc1ccccc1CN[C@@H]1CCC[C@@H]1C#N ZINC000061892090 369611108 /nfs/dbraw/zinc/61/11/08/369611108.db2.gz MUOPBWCRSGPQMC-UKRRQHHQSA-N 0 0 258.365 3.256 10 30 CGEERN Cc1ccc(NC(=O)N[C@@H]2CCC[C@H]2C#N)cc1Cl ZINC000061889417 369611142 /nfs/dbraw/zinc/61/11/42/369611142.db2.gz NWYCCPCCPMKYTI-GXFFZTMASA-N 0 0 277.755 3.462 10 30 CGEERN Cc1ccc(C(=O)Nc2cc(Cl)ccc2C#N)o1 ZINC000070268663 369794240 /nfs/dbraw/zinc/79/42/40/369794240.db2.gz YOUNMNATPCUQQJ-UHFFFAOYSA-N 0 0 260.680 3.365 10 30 CGEERN C[C@]1(S)CCCN(C(=O)OCc2ccccc2)C1 ZINC000095089638 370174032 /nfs/dbraw/zinc/17/40/32/370174032.db2.gz WAUCWUSHACMXDT-AWEZNQCLSA-N 0 0 265.378 3.108 10 30 CGEERN CCCCCCC[C@@H](C)c1[nH]nc2ncnc(N)c21 ZINC000100361024 370277144 /nfs/dbraw/zinc/27/71/44/370277144.db2.gz SPDHBNMXAMKOQH-SNVBAGLBSA-N 0 0 261.373 3.399 10 30 CGEERN O=[N+]([O-])c1ccc(Cl)c(/C=N\c2cccc(CO)c2)c1 ZINC000100480690 370279754 /nfs/dbraw/zinc/27/97/54/370279754.db2.gz GIDRFXDOZMKQCP-PXNMLYILSA-N 0 0 290.706 3.491 10 30 CGEERN C=CCNC(=O)NC1(c2cccc(C)c2)CCCC1 ZINC000103295884 370322403 /nfs/dbraw/zinc/32/24/03/370322403.db2.gz LKRJHQGEXYTDMU-UHFFFAOYSA-N 0 0 258.365 3.250 10 30 CGEERN CCCCCCCC(=O)N1CCO[C@H](c2nccs2)C1 ZINC000110884178 370389943 /nfs/dbraw/zinc/38/99/43/370389943.db2.gz PUFKNVDJGICXTP-ZDUSSCGKSA-N 0 0 296.436 3.404 10 30 CGEERN C=CCN(CC(F)(F)F)C(=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000117626799 370595670 /nfs/dbraw/zinc/59/56/70/370595670.db2.gz YDSQLYGLGXPVPX-ZWNOBZJWSA-N 0 0 299.292 3.128 10 30 CGEERN O=C1Nc2ccc(Cl)cc2/C1=N/N=C/c1cccs1 ZINC000169309392 372627779 /nfs/dbraw/zinc/62/77/79/372627779.db2.gz QWDVFIMALRTRAY-VIZOYTHASA-N 0 0 289.747 3.177 10 30 CGEERN CC1(CNc2cc(C#N)c3cc(Cl)ccc3n2)COC1 ZINC000301270351 373720828 /nfs/dbraw/zinc/72/08/28/373720828.db2.gz JSEWXFZDSHMDHR-UHFFFAOYSA-N 0 0 287.750 3.208 10 30 CGEERN CC(C)[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(C#N)n2)C1 ZINC000302743109 373948767 /nfs/dbraw/zinc/94/87/67/373948767.db2.gz RXSIHRZYQXVDSL-VXGBXAGGSA-N 0 0 288.351 3.488 10 30 CGEERN C[C@H](NC(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C)C1CCC1 ZINC000328629995 374370663 /nfs/dbraw/zinc/37/06/63/374370663.db2.gz PJBQFLHVWRQJSS-YUTCNCBUSA-N 0 0 282.428 3.130 10 30 CGEERN CC(C)[C@@H]1OCC[C@@H]1CNC(=O)C[C@@H]1CCCCNC1=O ZINC000329274741 374401260 /nfs/dbraw/zinc/40/12/60/374401260.db2.gz JOCMUAJHHZIWFX-GUTXKFCHSA-N 0 0 296.411 3.151 10 30 CGEERN O=C(C[C@@H]1CCCCC(=O)N1)N[C@H]1CC=CCC1 ZINC000328682245 374377569 /nfs/dbraw/zinc/37/75/69/374377569.db2.gz VMERNWAIDBEAST-RYUDHWBXSA-N 0 0 250.342 3.341 10 30 CGEERN C[C@@H]1CCCN(C(=O)N[C@@H]2CCC(=O)NC23CCC3)[C@@H]1C ZINC000328754263 374380963 /nfs/dbraw/zinc/38/09/63/374380963.db2.gz SFBAYMXVFONXEZ-JHJVBQTASA-N 0 0 293.411 3.062 10 30 CGEERN O=C(NC[C@@H]1C[C@H]1C1CCCCC1)c1cncc(O)c1 ZINC000329337720 374404747 /nfs/dbraw/zinc/40/47/47/374404747.db2.gz MPPMQWHSAPTSIV-WFASDCNBSA-N 0 0 274.364 3.308 10 30 CGEERN CCn1ncc2ccc(NC(=O)N3C[C@@H]4CCC[C@@H]43)cc21 ZINC000329927032 374443089 /nfs/dbraw/zinc/44/30/89/374443089.db2.gz LEXIYCMFGJZPRT-JSGCOSHPSA-N 0 0 284.363 3.086 10 30 CGEERN C=C(C)C[C@H](C)C(=O)N[C@H](C)c1ccc(OC)c(OC)c1 ZINC000185187467 374605852 /nfs/dbraw/zinc/60/58/52/374605852.db2.gz JERSQXDDUFRAII-QWHCGFSZSA-N 0 0 291.391 3.483 10 30 CGEERN C=C(C)C[C@@H](C)C(=O)N1CCC(c2cnn(CC)c2)CC1 ZINC000185625068 374701435 /nfs/dbraw/zinc/70/14/35/374701435.db2.gz CINWHXGRFHRULD-CQSZACIVSA-N 0 0 289.423 3.211 10 30 CGEERN C=CCC[C@H](C(=O)N[C@@H](C)[C@H]1CCCO1)c1ccccc1 ZINC000186603270 374884231 /nfs/dbraw/zinc/88/42/31/374884231.db2.gz OQIQKJWUOILAIC-BHYGNILZSA-N 0 0 287.403 3.420 10 30 CGEERN Cc1ccc([C@H](C)NC(=O)c2ccc(C#N)o2)cc1F ZINC000335918216 375540658 /nfs/dbraw/zinc/54/06/58/375540658.db2.gz MVOSKJOEBSRRTI-JTQLQIEISA-N 0 0 272.279 3.090 10 30 CGEERN C#CCCCC(=O)N1CCCC[C@H]1c1ccc(C)o1 ZINC000192348099 375736155 /nfs/dbraw/zinc/73/61/55/375736155.db2.gz WJHZNXVRRKXIOT-AWEZNQCLSA-N 0 0 259.349 3.445 10 30 CGEERN C=CCCCCCN1CCO[C@@H](c2nccs2)C1 ZINC000193343175 375864273 /nfs/dbraw/zinc/86/42/73/375864273.db2.gz WSQZZCKLYKOUNB-CYBMUJFWSA-N 0 0 266.410 3.263 10 30 CGEERN CN1Cc2cc(N[C@H]3CCC[C@H](C#N)C3)ccc2NC1=O ZINC000193304211 375856644 /nfs/dbraw/zinc/85/66/44/375856644.db2.gz UCMVYKDREFOWQA-AAEUAGOBSA-N 0 0 284.363 3.158 10 30 CGEERN N#Cc1ccc(NC2C3CC4CC(C3)CC2C4)nc1 ZINC000216566202 376165610 /nfs/dbraw/zinc/16/56/10/376165610.db2.gz COQFOSYCELSHHK-UHFFFAOYSA-N 0 0 253.349 3.190 10 30 CGEERN CC(=N\N=C(C)/C(C)=N\O)/C(C)=N/OCc1ccccc1 ZINC000255961401 377791258 /nfs/dbraw/zinc/79/12/58/377791258.db2.gz OYVWHZKSOUHXEW-XAGXRIIPSA-N 0 0 288.351 3.266 10 30 CGEERN CCOC(=O)c1ccc(F)c(SC(F)(F)F)c1C#N ZINC000575390668 377898806 /nfs/dbraw/zinc/89/88/06/377898806.db2.gz NVQATZVOKXCQDA-UHFFFAOYSA-N 0 0 293.241 3.486 10 30 CGEERN COC(=O)c1cc(C(F)(F)F)c(Cl)cc1C#N ZINC000575383491 377893540 /nfs/dbraw/zinc/89/35/40/377893540.db2.gz XJWYBVGBTQIJEA-UHFFFAOYSA-N 0 0 263.602 3.017 10 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N#CCc1c(OC(F)F)cc(C#N)cc1OC(F)(F)F ZINC000575640055 377924995 /nfs/dbraw/zinc/92/49/95/377924995.db2.gz MDBXHIIJFRNKIY-UHFFFAOYSA-N 0 0 292.163 3.124 10 30 CGEERN N#Cc1cc(F)c(C(F)(F)F)cc1OC(F)F ZINC000575660029 377936355 /nfs/dbraw/zinc/93/63/55/377936355.db2.gz LCRKMOXOWZYQBV-UHFFFAOYSA-N 0 0 255.117 3.318 10 30 CGEERN N#CCc1cc(OC(F)F)cc(C(F)(F)F)c1O ZINC000575662059 377938423 /nfs/dbraw/zinc/93/84/23/377938423.db2.gz PWSZJEIDYLENNG-UHFFFAOYSA-N 0 0 267.153 3.078 10 30 CGEERN COc1cc(C(F)(F)F)c(CC#N)cc1OC(F)F ZINC000575664471 377939608 /nfs/dbraw/zinc/93/96/08/377939608.db2.gz GITJXETXPUACKV-UHFFFAOYSA-N 0 0 281.180 3.381 10 30 CGEERN Cc1cc(OC(F)(F)F)cc(OC(F)F)c1C#N ZINC000575665545 377941840 /nfs/dbraw/zinc/94/18/40/377941840.db2.gz QFNPZOOEFRRHOA-UHFFFAOYSA-N 0 0 267.153 3.367 10 30 CGEERN COc1cc(CC#N)cc(C(F)(F)F)c1OC(F)F ZINC000575665592 377941893 /nfs/dbraw/zinc/94/18/93/377941893.db2.gz QMEXFHIXLFUASK-UHFFFAOYSA-N 0 0 281.180 3.381 10 30 CGEERN COc1cc(OC(F)F)cc(CC#N)c1C(F)(F)F ZINC000575665042 377941948 /nfs/dbraw/zinc/94/19/48/377941948.db2.gz NSTOWEZSFAVGRQ-UHFFFAOYSA-N 0 0 281.180 3.381 10 30 CGEERN Cc1ccc(C#N)c(C(F)(F)F)c1OC(F)F ZINC000575665577 377942074 /nfs/dbraw/zinc/94/20/74/377942074.db2.gz QYFDFPKUIHFJPR-UHFFFAOYSA-N 0 0 251.154 3.487 10 30 CGEERN N#CCc1c(OC(F)F)ccc(C(F)(F)F)c1[N+](=O)[O-] ZINC000575668988 377946481 /nfs/dbraw/zinc/94/64/81/377946481.db2.gz ZWJQLTYMOXBDQL-UHFFFAOYSA-N 0 0 296.151 3.281 10 30 CGEERN CCOC(=O)c1cc(C#N)cc(C(F)(F)F)c1OCC ZINC000575670924 377947211 /nfs/dbraw/zinc/94/72/11/377947211.db2.gz NYTSWGFFOIIUOW-UHFFFAOYSA-N 0 0 287.237 3.152 10 30 CGEERN N#CCc1c(Cl)cc(Br)cc1[N+](=O)[O-] ZINC000575677102 377951844 /nfs/dbraw/zinc/95/18/44/377951844.db2.gz HKYKEJMDZWSFOR-UHFFFAOYSA-N 0 0 275.489 3.077 10 30 CGEERN N#CCc1c(Br)cc(Cl)cc1[N+](=O)[O-] ZINC000575677908 377952381 /nfs/dbraw/zinc/95/23/81/377952381.db2.gz NHNWKAFVAZBPJE-UHFFFAOYSA-N 0 0 275.489 3.077 10 30 CGEERN N#CCc1c(Br)c(Cl)ccc1[N+](=O)[O-] ZINC000575679150 377952905 /nfs/dbraw/zinc/95/29/05/377952905.db2.gz ZKRYKAWDOOJDTD-UHFFFAOYSA-N 0 0 275.489 3.077 10 30 CGEERN Nc1cc(OC(F)(F)F)c(F)cc1C(F)(F)F ZINC000575397394 377904734 /nfs/dbraw/zinc/90/47/34/377904734.db2.gz XIXXJTQVUSSRHG-UHFFFAOYSA-N 0 0 263.112 3.325 10 30 CGEERN N#Cc1cc(OC(F)F)c(F)cc1Br ZINC000575680632 377954546 /nfs/dbraw/zinc/95/45/46/377954546.db2.gz SNPUEYOXRLLOQW-UHFFFAOYSA-N 0 0 266.016 3.061 10 30 CGEERN C[C@@H]1CC[C@@](C#N)(NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000575496683 377915139 /nfs/dbraw/zinc/91/51/39/377915139.db2.gz OGBUJMGUENBKER-GYSYKLTISA-N 0 0 252.358 3.230 10 30 CGEERN Cc1cc(Br)c(CC#N)cc1OC(F)F ZINC000575684748 377958961 /nfs/dbraw/zinc/95/89/61/377958961.db2.gz WOFHBKPPSATEAI-UHFFFAOYSA-N 0 0 276.080 3.425 10 30 CGEERN N#CCc1cc(C(F)F)c(O)cc1Br ZINC000575686559 377960960 /nfs/dbraw/zinc/96/09/60/377960960.db2.gz PCIOHCGRIPGPQG-UHFFFAOYSA-N 0 0 262.053 3.158 10 30 CGEERN N#Cc1cc(Br)cc(F)c1C(F)(F)F ZINC000575688856 377964447 /nfs/dbraw/zinc/96/44/47/377964447.db2.gz VDJSLEOCCQWJNI-UHFFFAOYSA-N 0 0 268.007 3.479 10 30 CGEERN N#CCc1c(Cl)cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575694281 377967925 /nfs/dbraw/zinc/96/79/25/377967925.db2.gz LCTFRZFCXYGXSV-UHFFFAOYSA-N 0 0 264.590 3.333 10 30 CGEERN N#Cc1cc(Cl)cc(I)c1Cl ZINC000575694287 377969209 /nfs/dbraw/zinc/96/92/09/377969209.db2.gz ICKKNEJYHSCDDZ-UHFFFAOYSA-N 0 0 297.910 3.470 10 30 CGEERN N#Cc1cc(Cl)c([N+](=O)[O-])cc1C(F)(F)F ZINC000575695711 377969244 /nfs/dbraw/zinc/96/92/44/377969244.db2.gz RUDAZNMVCXZVEG-UHFFFAOYSA-N 0 0 250.563 3.139 10 30 CGEERN CCc1c(CC#N)cc(C=O)cc1OC(F)(F)F ZINC000575701904 377974751 /nfs/dbraw/zinc/97/47/51/377974751.db2.gz FEURJJBVDKKILT-UHFFFAOYSA-N 0 0 257.211 3.026 10 30 CGEERN Oc1c(OC(F)(F)F)ccc(F)c1C(F)(F)F ZINC000575703646 377976748 /nfs/dbraw/zinc/97/67/48/377976748.db2.gz HKIGSCOJXVFQBI-UHFFFAOYSA-N 0 0 264.096 3.449 10 30 CGEERN CCc1cc(CC#N)c([N+](=O)[O-])cc1C(F)(F)F ZINC000575706591 377977799 /nfs/dbraw/zinc/97/77/99/377977799.db2.gz ROZUKJGLKZIILV-UHFFFAOYSA-N 0 0 258.199 3.242 10 30 CGEERN N#Cc1cc(Br)ccc1CN1C[C@H]2CCC[C@@H]21 ZINC000346965145 378699510 /nfs/dbraw/zinc/69/95/10/378699510.db2.gz ICLQHKDFNCMVCL-RISCZKNCSA-N 0 0 291.192 3.305 10 30 CGEERN C#CCCCC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000192153773 533019461 /nfs/dbraw/zinc/01/94/61/533019461.db2.gz OIVDFZWFKSPBJR-CQSZACIVSA-N 0 0 271.360 3.209 10 30 CGEERN C=CC[C@@H](C)NC(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000116933625 260007753 /nfs/dbraw/zinc/00/77/53/260007753.db2.gz WVNBCEAFVNGNJK-NXEZZACHSA-N 0 0 268.307 3.290 10 30 CGEERN Cc1[nH][nH]c(=O)c1[C@@H](c1ccc(C(C)C)cc1)C(C#N)C#N ZINC000005285771 391922561 /nfs/dbraw/zinc/92/25/61/391922561.db2.gz YSTVNKXGBBDJFO-INIZCTEOSA-N 0 0 294.358 3.342 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NCc1ccc(Cl)c(F)c1 ZINC000061892850 392128505 /nfs/dbraw/zinc/12/85/05/392128505.db2.gz RYHVCWOCPSXZCM-MFKMUULPSA-N 0 0 252.720 3.261 10 30 CGEERN C[C@@H]1CC[C@@H](NC(=O)C(C)(C)C#N)c2ccccc21 ZINC000125119736 392438930 /nfs/dbraw/zinc/43/89/30/392438930.db2.gz RYQKAIPPJUUVQU-BXUZGUMPSA-N 0 0 256.349 3.291 10 30 CGEERN CCC[C@@H]1C[C@@H]1NC(=O)N1CCCC[C@@H]1c1nc(C)no1 ZINC000329526532 392685315 /nfs/dbraw/zinc/68/53/15/392685315.db2.gz HNKUHCLYDXZYIG-FRRDWIJNSA-N 0 0 292.383 3.008 10 30 CGEERN N#Cc1cnc(N2CC[C@H](O)c3ccccc3C2)c(Cl)c1 ZINC000375824768 392827624 /nfs/dbraw/zinc/82/76/24/392827624.db2.gz OPQLMUICCLBLPP-HNNXBMFYSA-N 0 0 299.761 3.050 10 30 CGEERN C[C@H](Nc1ccc(C#N)cc1[N+](=O)[O-])C1CCCC1 ZINC000070307421 286988146 /nfs/dbraw/zinc/98/81/46/286988146.db2.gz BGPCMRYWXFSTOA-JTQLQIEISA-N 0 0 259.309 3.457 10 30 CGEERN CC(=NNc1cccc([N+](=O)[O-])c1)c1ccc(C#N)cc1 ZINC000005020661 170056566 /nfs/dbraw/zinc/05/65/66/170056566.db2.gz GIWPNPXDVXFOID-GZTJUZNOSA-N 0 0 280.287 3.303 10 30 CGEERN COc1cccc(/C=N/N=C\c2cccc(OC)c2)c1 ZINC000005361550 170089548 /nfs/dbraw/zinc/08/95/48/170089548.db2.gz FBNPHFBYHYNMHC-MJZABRMRSA-N 0 0 268.316 3.157 10 30 CGEERN Cc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000005380175 170091920 /nfs/dbraw/zinc/09/19/20/170091920.db2.gz BAZZNMVWZXUKKN-VOTSOKGWSA-N 0 0 257.245 3.392 10 30 CGEERN COc1ccc(C(C)=NNc2cccc([N+](=O)[O-])c2)cc1 ZINC000005754631 170136931 /nfs/dbraw/zinc/13/69/31/170136931.db2.gz IJQXWUAZYVPMDG-LFIBNONCSA-N 0 0 285.303 3.440 10 30 CGEERN Oc1ccc(C=NNc2ccc(Cl)cc2)cc1O ZINC000007892951 170306471 /nfs/dbraw/zinc/30/64/71/170306471.db2.gz JQQBYKJMFXHHGC-OVCLIPMQSA-N 0 0 262.696 3.197 10 30 CGEERN COc1cc(C=NNc2ccccn2)cc(Cl)c1OC ZINC000007993833 170312604 /nfs/dbraw/zinc/31/26/04/170312604.db2.gz DLYUHYKVVIMKPO-RQZCQDPDSA-N 0 0 291.738 3.198 10 30 CGEERN C=CCNC(=O)c1ccc(-c2nc3ccccc3n2C)s1 ZINC000008417486 170335695 /nfs/dbraw/zinc/33/56/95/170335695.db2.gz CAZSUJHZSDJNAB-UHFFFAOYSA-N 0 0 297.383 3.218 10 30 CGEERN CCNC(=S)NN=C(C)c1ccc(Cl)s1 ZINC000008801759 170356383 /nfs/dbraw/zinc/35/63/83/170356383.db2.gz RMUZOSQPLOBSMG-WUXMJOGZSA-N 0 0 261.803 3.021 10 30 CGEERN CN(C)/C(=C\C(=O)c1ccccc1)c1ccccc1 ZINC000009209357 170366485 /nfs/dbraw/zinc/36/64/85/170366485.db2.gz PJGPZAIAGSXQAI-SSZFMOIBSA-N 0 0 251.329 3.472 10 30 CGEERN CN(C)c1cccc(C(=O)/C=C/c2ccncc2)c1 ZINC000013602135 170568171 /nfs/dbraw/zinc/56/81/71/170568171.db2.gz CUHMNSZAJGPXNQ-VOTSOKGWSA-N 0 0 252.317 3.044 10 30 CGEERN CCCN[C@@H](C#N)c1ccccc1Br ZINC000020379827 171171912 /nfs/dbraw/zinc/17/19/12/171171912.db2.gz MCKSXLRGZIIYPL-NSHDSACASA-N 0 0 253.143 3.013 10 30 CGEERN C=CCNc1oc(COc2cccc(C)c2)nc1C#N ZINC000032675079 171744161 /nfs/dbraw/zinc/74/41/61/171744161.db2.gz OVIVSKQOINUNMN-UHFFFAOYSA-N 0 0 269.304 3.032 10 30 CGEERN N#CCCN(Cc1nnsc1Cl)c1ccccc1 ZINC000035165096 172026388 /nfs/dbraw/zinc/02/63/88/172026388.db2.gz HUQQCISBEWORHC-UHFFFAOYSA-N 0 0 278.768 3.112 10 30 CGEERN S=c1[nH]ncn1N=Cc1ccc(Cl)cc1Cl ZINC000035549312 172257969 /nfs/dbraw/zinc/25/79/69/172257969.db2.gz MTWSOIJBQBGECH-PQMHYQBVSA-N 0 0 273.148 3.130 10 30 CGEERN N#Cc1ccc(Sc2nc3ccccc3o2)c(N)c1 ZINC000035675153 172345146 /nfs/dbraw/zinc/34/51/46/172345146.db2.gz YMNBEKVAMGLHFE-UHFFFAOYSA-N 0 0 267.313 3.433 10 30 CGEERN N#Cc1ccccc1OCc1ccc(Cl)c(N)c1 ZINC000037402736 173178635 /nfs/dbraw/zinc/17/86/35/173178635.db2.gz KNQKQRLJTHHNFI-UHFFFAOYSA-N 0 0 258.708 3.373 10 30 CGEERN N#Cc1cccc(OCc2ccc(Cl)c(N)c2)c1 ZINC000037402809 173178655 /nfs/dbraw/zinc/17/86/55/173178655.db2.gz KPVJWNYCPWGLKH-UHFFFAOYSA-N 0 0 258.708 3.373 10 30 CGEERN COc1ccc(N[C@H](C#N)c2ccc(O)cc2)cc1 ZINC000037936555 173876724 /nfs/dbraw/zinc/87/67/24/173876724.db2.gz GWRDQYBMQKIUDB-OAHLLOKOSA-N 0 0 254.289 3.078 10 30 CGEERN N#C[C@H](NCC(F)(F)F)c1ccc(OC(F)(F)F)cc1 ZINC000037970977 173921668 /nfs/dbraw/zinc/92/16/68/173921668.db2.gz MGSJLQYBCPYQAF-VIFPVBQESA-N 0 0 298.186 3.302 10 30 CGEERN N#Cc1ccnc(Oc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000037981576 173941684 /nfs/dbraw/zinc/94/16/84/173941684.db2.gz RCZPWGBRGYRUBV-UHFFFAOYSA-N 0 0 275.651 3.307 10 30 CGEERN CSCc1ccc(-c2ccccc2/C(N)=N/O)cc1 ZINC000038063690 174074837 /nfs/dbraw/zinc/07/48/37/174074837.db2.gz VPRJMNSNLOKQPT-UHFFFAOYSA-N 0 0 272.373 3.311 10 30 CGEERN CC[C@H](C)N[C@@](C)(C#N)CCc1ccc(OC)cc1 ZINC000038064545 174075127 /nfs/dbraw/zinc/07/51/27/174075127.db2.gz MBVDUMWCVQBGMT-XJKSGUPXSA-N 0 0 260.381 3.298 10 30 CGEERN CC[C@H](C)N[C@@H](C#N)c1cc2c(c(Cl)c1)OCO2 ZINC000038064463 174075200 /nfs/dbraw/zinc/07/52/00/174075200.db2.gz OIHZKPZIUGAGJI-KWQFWETISA-N 0 0 266.728 3.021 10 30 CGEERN CC[C@@H](C)N[C@H](C#N)c1cc(Cl)c2c(c1)OCCO2 ZINC000038064452 174075430 /nfs/dbraw/zinc/07/54/30/174075430.db2.gz NVBYMICZHKRBRV-BXKDBHETSA-N 0 0 280.755 3.064 10 30 CGEERN N#C[C@@H](c1ccc(Br)cc1)c1ccccn1 ZINC000038643427 174150657 /nfs/dbraw/zinc/15/06/57/174150657.db2.gz PMKCUNAECONNCQ-LBPRGKRZSA-N 0 0 273.133 3.500 10 30 CGEERN CCOC(=O)[C@H](C#N)c1c(Cl)cccc1Cl ZINC000044197740 175153312 /nfs/dbraw/zinc/15/33/12/175153312.db2.gz LJUGYSRLPTTYQE-SSDOTTSWSA-N 0 0 258.104 3.164 10 30 CGEERN Cc1ccccc1NC(=O)[C@H](C#N)Cc1ccccc1 ZINC000044812311 175257857 /nfs/dbraw/zinc/25/78/57/175257857.db2.gz YQLKZUKYOCCHCS-HNNXBMFYSA-N 0 0 264.328 3.316 10 30 CGEERN COc1ccc(C[C@@](C)(C#N)NC2CCCC2)cc1 ZINC000071169668 176050480 /nfs/dbraw/zinc/05/04/80/176050480.db2.gz HYJWCVBWABLSJI-INIZCTEOSA-N 0 0 258.365 3.052 10 30 CGEERN Fc1cc(F)c(NC2=NC[C@@H](C3CC3)S2)cc1F ZINC000071308032 176116300 /nfs/dbraw/zinc/11/63/00/176116300.db2.gz GYTBKGPYMWHMRK-NSHDSACASA-N 0 0 272.295 3.206 10 30 CGEERN O=C(C[C@@H]1CCc2ccccc2C1)N[C@@H]1CCCNC1=O ZINC000329253628 227385156 /nfs/dbraw/zinc/38/51/56/227385156.db2.gz WHKVBZBILAMDJD-IUODEOHRSA-N 0 0 286.375 3.257 10 30 CGEERN Cc1nnc([C@H](C)NC(=O)C[C@@H]2CCCCNC2=O)s1 ZINC000329478209 227540373 /nfs/dbraw/zinc/54/03/73/227540373.db2.gz CEXDFWWYKQOKIT-WPRPVWTQSA-N 0 0 296.396 3.011 10 30 CGEERN C[C@H](C(=O)NC1C2CC3CC(C2)CC1C3)c1cncnc1 ZINC000330276397 228089957 /nfs/dbraw/zinc/08/99/57/228089957.db2.gz MVQCDBRJFYLMES-BSTQEOMGSA-N 0 0 285.391 3.361 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1Nc1nc(C2CCCCC2)ns1 ZINC000333717957 228211400 /nfs/dbraw/zinc/21/14/00/228211400.db2.gz UBLKXWSYZSPDNF-RYUDHWBXSA-N 0 0 276.409 3.112 10 30 CGEERN C=C(C)CN(C)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000180413558 260101049 /nfs/dbraw/zinc/10/10/49/260101049.db2.gz YNYMKXYAMIRWMQ-WDEREUQCSA-N 0 0 278.318 3.325 10 30 CGEERN C=CCN(CC1CCCCC1)C(=O)[C@@H]1CC[C@@H](C)O1 ZINC000154448209 260746320 /nfs/dbraw/zinc/74/63/20/260746320.db2.gz QQBJHLNMJSEIMU-HIFRSBDPSA-N 0 0 265.397 3.149 10 30 CGEERN CCN(C[C@H](C)C#N)C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000160848795 262301761 /nfs/dbraw/zinc/30/17/61/262301761.db2.gz SVJNRIXXPLSRFV-BPLDGKMQSA-N 0 0 262.397 3.211 10 30 CGEERN CC(C)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328744000 263852736 /nfs/dbraw/zinc/85/27/36/263852736.db2.gz NTFLNIXNTCCNGW-SDDRHHMPSA-N 0 0 264.369 3.277 10 30 CGEERN O=C(NCCOC1CCCC1)N[C@H]1CCc2ccccc21 ZINC000328886324 263888180 /nfs/dbraw/zinc/88/81/80/263888180.db2.gz ZPYYWUXYGXSWEL-INIZCTEOSA-N 0 0 288.391 3.137 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccnc(OC2CCC2)c1 ZINC000328898099 263890820 /nfs/dbraw/zinc/89/08/20/263890820.db2.gz WNALEGIKQNOUGR-JSGCOSHPSA-N 0 0 285.347 3.010 10 30 CGEERN Cc1ccc2snc(C(=O)N[C@@H]3CCC[C@@H]3C#N)c2c1 ZINC000328917512 263902076 /nfs/dbraw/zinc/90/20/76/263902076.db2.gz RTWYAFTUOBQFHQ-ZYHUDNBSSA-N 0 0 285.372 3.027 10 30 CGEERN Cc1ccc2snc(C(=O)N[C@@H]3CCC[C@H]3C#N)c2c1 ZINC000328917509 263902154 /nfs/dbraw/zinc/90/21/54/263902154.db2.gz RTWYAFTUOBQFHQ-CMPLNLGQSA-N 0 0 285.372 3.027 10 30 CGEERN Brc1cccc(C#Cc2ccccc2)n1 ZINC000090550313 276768506 /nfs/dbraw/zinc/76/85/06/276768506.db2.gz UJYFIDBDSSRUMU-UHFFFAOYSA-N 0 0 258.118 3.244 10 30 CGEERN C=CCCC(=O)N1CCCC[C@H]1c1nccs1 ZINC000115363685 277826231 /nfs/dbraw/zinc/82/62/31/277826231.db2.gz NOSXUGJXDBWHBN-NSHDSACASA-N 0 0 250.367 3.163 10 30 CGEERN C[C@]1(O)CC(=O)C=C(c2ccc(Cl)c(Cl)c2)C1 ZINC000040174924 278567435 /nfs/dbraw/zinc/56/74/35/278567435.db2.gz IXYHIIVTRJGJSS-CYBMUJFWSA-N 0 0 271.143 3.491 10 30 CGEERN C[C@@H]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)c2ccccc21 ZINC000181363393 278586409 /nfs/dbraw/zinc/58/64/09/278586409.db2.gz SWOYXXJMYUZEQI-BDJLRTHQSA-N 0 0 279.343 3.255 10 30 CGEERN Cc1nc(C#N)c(N=NC=C2Cc3ccccc3O[C@@H]2C)o1 ZINC000006861386 279065391 /nfs/dbraw/zinc/06/53/91/279065391.db2.gz UZRDFMRSRGUSQW-SVXRXWARSA-N 0 0 294.314 3.117 10 30 CGEERN C[C@H]1c2ccccc2O[C@H]1C(=O)Oc1ccc(C#N)cc1 ZINC000117562034 280130383 /nfs/dbraw/zinc/13/03/83/280130383.db2.gz OUWGKDLOPPKSRN-MEDUHNTESA-N 0 0 279.295 3.028 10 30 CGEERN C[C@H](C(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C)n1cccc1 ZINC000328612470 297944130 /nfs/dbraw/zinc/94/41/30/297944130.db2.gz OTPOKDJNIPVADO-MCIONIFRSA-N 0 0 278.396 3.457 10 30 CGEERN N#Cc1ccc(Cl)cc1N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000227373456 303192154 /nfs/dbraw/zinc/19/21/54/303192154.db2.gz LPSUOMXJXNMSNA-BBRMVZONSA-N 0 0 290.794 3.343 10 30 CGEERN N#C[C@H]1CCC[C@H]1NCc1cccc(C(F)(F)F)c1 ZINC000054823377 327905298 /nfs/dbraw/zinc/90/52/98/327905298.db2.gz ARKOGSGQHFRVPX-DGCLKSJQSA-N 0 0 268.282 3.487 10 30 CGEERN N#C[C@H]1CCC[C@H]1NCc1ccc(C(F)F)cc1 ZINC000150142484 327208439 /nfs/dbraw/zinc/20/84/39/327208439.db2.gz UWRAYWBOVIFHHX-CHWSQXEVSA-N 0 0 250.292 3.406 10 30 CGEERN CCCCCCCCC(=O)N1CCCC[C@@H](CO)C1 ZINC000378211158 329043056 /nfs/dbraw/zinc/04/30/56/329043056.db2.gz PMEUSDZOBLSZRG-OAHLLOKOSA-N 0 0 269.429 3.358 10 30 CGEERN C=CCCC(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000174066375 329153906 /nfs/dbraw/zinc/15/39/06/329153906.db2.gz RWLKSPIOPXZDGU-UHFFFAOYSA-N 0 0 276.355 3.195 10 30 CGEERN Cc1c(Cl)cccc1C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000219678693 329171861 /nfs/dbraw/zinc/17/18/61/329171861.db2.gz LAMWTBNKUOJRBY-ZWNOBZJWSA-N 0 0 262.740 3.071 10 30 CGEERN C=CCC(CC=C)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000177070365 329182777 /nfs/dbraw/zinc/18/27/77/329182777.db2.gz OYGOKMBOHPQEFH-UHFFFAOYSA-N 0 0 283.331 3.444 10 30 CGEERN C=CCC[C@H](C(=O)NCCn1cc(C)cn1)c1ccccc1 ZINC000189662288 329384129 /nfs/dbraw/zinc/38/41/29/329384129.db2.gz SNWYFVUQIYATGB-KRWDZBQOSA-N 0 0 297.402 3.058 10 30 CGEERN Cc1cccc2nc(C3CCN([C@H](C)C#N)CC3)oc21 ZINC000189812941 329389198 /nfs/dbraw/zinc/38/91/98/329389198.db2.gz TUIRBVMQUAFQBU-GFCCVEGCSA-N 0 0 269.348 3.228 10 30 CGEERN C[C@H](C#N)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000192608592 329434741 /nfs/dbraw/zinc/43/47/41/329434741.db2.gz CUIARQIJOHYQEC-GFCCVEGCSA-N 0 0 253.349 3.259 10 30 CGEERN CCCCCCCCC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116117429 329544542 /nfs/dbraw/zinc/54/45/42/329544542.db2.gz VMYXPMFBTMPGSD-OAHLLOKOSA-N 0 0 291.439 3.487 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000061888942 329681507 /nfs/dbraw/zinc/68/15/07/329681507.db2.gz CARLJFXNHBJORP-CABZTGNLSA-N 0 0 283.158 3.415 10 30 CGEERN CC(C)[C@@H]1[C@H](C=O)[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000536955052 330382937 /nfs/dbraw/zinc/38/29/37/330382937.db2.gz OQHSIFBPKXBZOJ-RRFJBIMHSA-N 0 0 295.423 3.351 10 30 CGEERN CC(C)(C)c1ccccc1C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000167045562 331307782 /nfs/dbraw/zinc/30/77/82/331307782.db2.gz UKRWSNJJVILQPR-IUODEOHRSA-N 0 0 270.376 3.406 10 30 CGEERN C=C[C@](C)(CC)C(=O)N1CCC[C@H]1c1c(C)nn(C)c1C ZINC000135025287 334112632 /nfs/dbraw/zinc/11/26/32/334112632.db2.gz GZRSQSCYXIIQRZ-WMLDXEAASA-N 0 0 289.423 3.303 10 30 CGEERN Cc1cc(C(=O)N[C@H]2CCCc3cc(F)ccc32)cnn1 ZINC000329934749 534011446 /nfs/dbraw/zinc/01/14/46/534011446.db2.gz CCFBXIFMXBYEIZ-HNNXBMFYSA-N 0 0 285.322 3.306 10 30 CGEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000184917391 518630536 /nfs/dbraw/zinc/63/05/36/518630536.db2.gz CLQUJWULDCMZAC-OLZOCXBDSA-N 0 0 289.375 3.237 10 30 CGEERN COC(=O)CCCCCNc1ccc(C#N)cc1Cl ZINC000062791593 522993812 /nfs/dbraw/zinc/99/38/12/522993812.db2.gz OLOCSSYOHIUIHO-UHFFFAOYSA-N 0 0 280.755 3.357 10 30 CGEERN C[C@@H]1CCC[C@@H](SC[C@@](C)(C#N)NC2CC2)C1 ZINC000054694958 524320128 /nfs/dbraw/zinc/32/01/28/524320128.db2.gz GVLAPIIDBLNBBF-MRVWCRGKSA-N 0 0 252.427 3.333 10 30 CGEERN N#Cc1ccc(COc2ccc(N)c(Cl)c2)cc1 ZINC000050470653 526629263 /nfs/dbraw/zinc/62/92/63/526629263.db2.gz FGMAPEXWHNXFQW-UHFFFAOYSA-N 0 0 258.708 3.373 10 30 CGEERN N#Cc1cccnc1OCc1ccc(Br)cc1 ZINC000062705263 526755186 /nfs/dbraw/zinc/75/51/86/526755186.db2.gz IDFJMYJCWMNGAW-UHFFFAOYSA-N 0 0 289.132 3.295 10 30 CGEERN CC(C)(C)c1ncc(NC(=O)N2CC[C@H]3CCC[C@H]32)cn1 ZINC000330281485 526881265 /nfs/dbraw/zinc/88/12/65/526881265.db2.gz USVQJJMIWKZXQN-DGCLKSJQSA-N 0 0 288.395 3.194 10 30 CGEERN OCC#Cc1cccc(CSCc2ccco2)c1 ZINC000049623169 527519935 /nfs/dbraw/zinc/51/99/35/527519935.db2.gz VQILMGZDDAIUDN-UHFFFAOYSA-N 0 0 258.342 3.057 10 30 CGEERN C=CCN(CC=C)C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109099784 527632779 /nfs/dbraw/zinc/63/27/79/527632779.db2.gz WMDAQJAYWZBQLJ-CHWSQXEVSA-N 0 0 277.314 3.269 10 30 CGEERN CC1C(=O)c2c(=O)cc(-c3ccccc3)oc2C(C)(C)C1=O ZINC000000898918 560179379 /nfs/dbraw/zinc/17/93/79/560179379.db2.gz VOEVEGYLKQKGLZ-UHFFFAOYSA-N 0 0 296.322 3.456 10 30 in-vitro CGEERN C[C@@H](OC(=O)C(C)(C)Oc1ccc(C#N)cc1)C1CCC1 ZINC000178219716 618243640 /nfs/dbraw/zinc/24/36/40/618243640.db2.gz LDGBAVCUKRUCFV-GFCCVEGCSA-N 0 0 287.359 3.447 10 30 CGEERN CCCCCCCCC(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000230178259 623218753 /nfs/dbraw/zinc/21/87/53/623218753.db2.gz RCZQKZNCIZGPOX-HUUCEWRRSA-N 0 0 269.429 3.404 10 30 CGEERN C=CCCOC(=O)[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000076872472 623254100 /nfs/dbraw/zinc/25/41/00/623254100.db2.gz DLWXERUDFCMBSW-STQMWFEESA-N 0 0 297.395 3.189 10 30 CGEERN C=CCOCCCC(=O)O[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000174406081 623390592 /nfs/dbraw/zinc/39/05/92/623390592.db2.gz LIXMWBHMBOELQM-CABCVRRESA-N 0 0 296.407 3.250 10 30 CGEERN C#C[C@H](C)OC(=O)C1(c2cccc(OC)c2)CCCC1 ZINC000174432594 623395759 /nfs/dbraw/zinc/39/57/59/623395759.db2.gz HRNKUXGJGMWBNJ-ZDUSSCGKSA-N 0 0 272.344 3.072 10 30 CGEERN C=CCCO[C@H](C)C(=O)O[C@@H](C)c1nc2ccccc2[nH]1 ZINC000064358949 624610813 /nfs/dbraw/zinc/61/08/13/624610813.db2.gz VGIBMRNFRLGPHS-NWDGAFQWSA-N 0 0 288.347 3.148 10 30 CGEERN C#Cc1cccc(N(CC)C(=O)c2ccc(COC)o2)c1 ZINC000103101715 626233687 /nfs/dbraw/zinc/23/36/87/626233687.db2.gz KUVBLGWLOVJLNX-UHFFFAOYSA-N 0 0 283.327 3.074 10 30 CGEERN O=C(OCC#Cc1ccccc1)c1cccc(F)c1F ZINC000102596642 634799185 /nfs/dbraw/zinc/79/91/85/634799185.db2.gz VYHYGQHERITAEI-UHFFFAOYSA-N 0 0 272.250 3.173 10 30 CGEERN CCOc1c(Br)cc(CS)cc1OC ZINC000757162247 630587739 /nfs/dbraw/zinc/58/77/39/630587739.db2.gz CPGHRNHKEBLFBM-UHFFFAOYSA-N 0 0 277.183 3.286 10 30 CGEERN CC[C@@H](C#N)NC(=O)c1sccc1-n1c(C)ccc1C ZINC000123802132 633880852 /nfs/dbraw/zinc/88/08/52/633880852.db2.gz CAXCTWXWIZLYCB-LBPRGKRZSA-N 0 0 287.388 3.188 10 30 CGEERN CCCCCCCn1cc([N+](=O)[O-])cc(C)c1=O ZINC000104439203 635200112 /nfs/dbraw/zinc/20/01/12/635200112.db2.gz OAJDYLXIHOBQJY-UHFFFAOYSA-N 0 0 252.314 3.035 10 30 CGEERN COc1cc(C=NO)ccc1OCc1ccc(F)cc1 ZINC000250376479 640812207 /nfs/dbraw/zinc/81/22/07/640812207.db2.gz INYUAFBGJOBIJN-UHFFFAOYSA-N 0 0 275.279 3.221 10 30 CGEERN COc1ccc(O)cc1C(=O)/C=C\c1cccc(O)c1 ZINC000588410356 799689939 /nfs/dbraw/zinc/68/99/39/799689939.db2.gz IXUSPNHJQAGUPN-ALCCZGGFSA-N 0 0 270.284 3.003 10 30 CGEERN CC(C)(C)[C@@H](C#N)OC(=O)/C=C\c1cccc(F)c1 ZINC000588470718 799698281 /nfs/dbraw/zinc/69/82/81/799698281.db2.gz ZBYUCOVQUZDLLS-MEJMFZKBSA-N 0 0 261.296 3.320 10 30 CGEERN C=C[C@](C)(CCOC)COC(=O)/C=C\c1cncc(C)c1 ZINC000588551857 799710846 /nfs/dbraw/zinc/71/08/46/799710846.db2.gz ZYZIOYAAIKKUHP-JTGQJZMRSA-N 0 0 289.375 3.175 10 30 CGEERN Cc1c(C(=O)/C=C\c2cccnc2C)cnn1C(C)C ZINC000588559875 799711502 /nfs/dbraw/zinc/71/15/02/799711502.db2.gz SEDVRHOHASUABF-FPLPWBNLSA-N 0 0 269.348 3.372 10 30 CGEERN C=CCN(CCOC)C(=O)/C=C\c1ccccc1Cl ZINC000588577779 799715728 /nfs/dbraw/zinc/71/57/28/799715728.db2.gz XEPPBNWSKVTZHV-HJWRWDBZSA-N 0 0 279.767 3.014 10 30 CGEERN COc1cc(OC)c(C(=O)/C=C\c2cocn2)cc1Cl ZINC000588579773 799716689 /nfs/dbraw/zinc/71/66/89/799716689.db2.gz TUDBAGINDIFNMD-ARJAWSKDSA-N 0 0 293.706 3.241 10 30 CGEERN Cc1cncc(/C=C\C(=O)OCC(C)(C)CCC#N)c1 ZINC000588616848 799721652 /nfs/dbraw/zinc/72/16/52/799721652.db2.gz MOKURKXNHAJVOW-WAYWQWQTSA-N 0 0 272.348 3.276 10 30 CGEERN Oc1ccccc1/C=N\Cc1ncc(-c2ccccc2)cn1 ZINC000588460198 926766631 /nfs/dbraw/zinc/76/66/31/926766631.db2.gz FITKTCOGJAPCHU-GRSHGNNSSA-N 0 0 289.338 3.468 10 30 CGEERN C=C1CCC(C[NH2+]Cc2ccsc2C(=O)[O-])CC1 ZINC000724471183 978228514 /nfs/dbraw/zinc/22/85/14/978228514.db2.gz XKHNHYUUOVRYPC-UHFFFAOYSA-N 0 0 265.378 3.282 10 30 CGEERN CN(C)/C=C\C(=O)c1cc2cc(Br)ccc2o1 ZINC000097463396 230386711 /nfs/dbraw/zinc/38/67/11/230386711.db2.gz UFYBYIOGVPOGCO-WAYWQWQTSA-N 0 0 294.148 3.453 10 30 CGEERN CC1(C)CCCC[C@@H]1CC(=O)N[C@@H]1CCC[C@H]1C#N ZINC000407970009 260131425 /nfs/dbraw/zinc/13/14/25/260131425.db2.gz YXNAPBPQKPLRJC-BFHYXJOUSA-N 0 0 262.397 3.401 10 30 CGEERN N#Cc1cc(CNc2cnccc2Cl)ccc1F ZINC000083450055 178464380 /nfs/dbraw/zinc/46/43/80/178464380.db2.gz UKIZAEWJRQJDJA-UHFFFAOYSA-N 0 0 261.687 3.358 10 30 CGEERN N#Cc1cc(O)cc2c3c(oc21)-c1ccc(O)cc1OC3 ZINC000035804247 344942578 /nfs/dbraw/zinc/94/25/78/344942578.db2.gz XIYZJFJZGQJHIW-UHFFFAOYSA-N 0 0 279.251 3.275 10 30 CGEERN Cc1ccc([C@H](C)NC(=O)c2sccc2C#N)o1 ZINC000052035081 345096311 /nfs/dbraw/zinc/09/63/11/345096311.db2.gz QXEIHQJSBGUFCK-VIFPVBQESA-N 0 0 260.318 3.012 10 30 CGEERN C=C(Br)CNc1cc(F)c(F)cc1F ZINC000061094030 345226462 /nfs/dbraw/zinc/22/64/62/345226462.db2.gz RKIPAPXHXQAFEN-UHFFFAOYSA-N 0 0 266.060 3.424 10 30 CGEERN N#Cc1c(Cl)nsc1N1C[C@@H]2CC=CC[C@H]2C1 ZINC000078370972 345604627 /nfs/dbraw/zinc/60/46/27/345604627.db2.gz YPMHAOCVZQWJBF-IUCAKERBSA-N 0 0 265.769 3.071 10 30 CGEERN N#Cc1cccc(-c2cc(Cl)nc(Cl)n2)c1 ZINC000084123135 345729934 /nfs/dbraw/zinc/72/99/34/345729934.db2.gz LSTRPTKYFPQEFA-UHFFFAOYSA-N 0 0 250.088 3.322 10 30 CGEERN CCOCCN(CCOCC)c1ccc(C#N)cc1Cl ZINC000090473983 345788835 /nfs/dbraw/zinc/78/88/35/345788835.db2.gz MAWKJIAIDYKBOM-UHFFFAOYSA-N 0 0 296.798 3.091 10 30 CGEERN Cc1ccc([C@H](C)NC(=O)Cc2ccc(C#N)cc2)cc1F ZINC000176222823 232332200 /nfs/dbraw/zinc/33/22/00/232332200.db2.gz HDRYXAWHAVYQHI-ZDUSSCGKSA-N 0 0 296.345 3.426 10 30 CGEERN N#Cc1c(N)n[nH]c1-c1ccc(OCc2ccccc2)cc1 ZINC000140189326 346103762 /nfs/dbraw/zinc/10/37/62/346103762.db2.gz CWYFLPDCJASREM-UHFFFAOYSA-N 0 0 290.326 3.110 10 30 CGEERN C=CCNc1nc2c(C)csc2c(NC(C)C)n1 ZINC000141634271 346109629 /nfs/dbraw/zinc/10/96/29/346109629.db2.gz ZZABGPQEDICNBQ-UHFFFAOYSA-N 0 0 262.382 3.418 10 30 CGEERN CCCCn1ccc2c1cc(C(=O)OC)cc2C#N ZINC000144333959 346117515 /nfs/dbraw/zinc/11/75/15/346117515.db2.gz NDWWBKMVRMRRKR-UHFFFAOYSA-N 0 0 256.305 3.100 10 30 CGEERN N#Cc1ccc(C2(NC(=O)OCc3ccccc3)CC2)cc1 ZINC000144558617 346118253 /nfs/dbraw/zinc/11/82/53/346118253.db2.gz AHMWYWIFKMEKGG-UHFFFAOYSA-N 0 0 292.338 3.474 10 30 CGEERN N#Cc1ccc(F)c([C@H](O)c2ccnc3ccccc32)c1 ZINC000145003698 346119082 /nfs/dbraw/zinc/11/90/82/346119082.db2.gz SPURNQVPNMCGDK-QGZVFWFLSA-N 0 0 278.286 3.327 10 30 CGEERN N#Cc1nc(SCc2cc(F)cc(F)c2)ccc1N ZINC000144852915 346119105 /nfs/dbraw/zinc/11/91/05/346119105.db2.gz WRQYZMAMPGGLGG-UHFFFAOYSA-N 0 0 277.299 3.106 10 30 CGEERN C#CC[C@@H](O)c1ccc(Br)cc1Cl ZINC000161064209 346174209 /nfs/dbraw/zinc/17/42/09/346174209.db2.gz ZGDOTXQBLYNALQ-SNVBAGLBSA-N 0 0 259.530 3.159 10 30 CGEERN O=C1C=C(Cc2ccc(Br)cn2)CCC1 ZINC000161718539 346176795 /nfs/dbraw/zinc/17/67/95/346176795.db2.gz HEOHHGWWRQXPLE-UHFFFAOYSA-N 0 0 266.138 3.066 10 30 CGEERN C[C@@H]1CCN(C(=O)c2sccc2C#N)C[C@@H](C)C1 ZINC000162984094 346179840 /nfs/dbraw/zinc/17/98/40/346179840.db2.gz FCFQRDGTZPLICA-MNOVXSKESA-N 0 0 262.378 3.128 10 30 CGEERN CCCCC#Cc1cc2c(cc1[N+](=O)[O-])C(=O)CC2 ZINC000168554250 346190378 /nfs/dbraw/zinc/19/03/78/346190378.db2.gz HOTRQFDGUYICSO-UHFFFAOYSA-N 0 0 257.289 3.265 10 30 CGEERN CC#CC[C@H](O)c1cc(F)ccc1Br ZINC000169090652 346191961 /nfs/dbraw/zinc/19/19/61/346191961.db2.gz LHBASDJAOADNCB-NSHDSACASA-N 0 0 257.102 3.035 10 30 CGEERN C[C@@H](CO)c1ccc(OCc2ccccc2C#N)cc1 ZINC000196396818 346275599 /nfs/dbraw/zinc/27/55/99/346275599.db2.gz KQLONGWIUZYMNO-ZDUSSCGKSA-N 0 0 267.328 3.233 10 30 CGEERN O=[N+]([O-])c1cccc([C@H]2O[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000196418103 346275618 /nfs/dbraw/zinc/27/56/18/346275618.db2.gz MDLVQLDRLZUEEF-ZIAGYGMSSA-N 0 0 286.243 3.316 10 30 CGEERN COc1ccc(-c2ccc(F)cc2C#N)cc1C=O ZINC000220199431 346295986 /nfs/dbraw/zinc/29/59/86/346295986.db2.gz XVHJZZNSXCIJOV-UHFFFAOYSA-N 0 0 255.248 3.185 10 30 CGEERN C=CC[C@](CC)(COC(=O)c1ccccc1)C(C)=O ZINC000217721541 346291151 /nfs/dbraw/zinc/29/11/51/346291151.db2.gz WERDVLJQWFFOBD-MRXNPFEDSA-N 0 0 260.333 3.405 10 30 CGEERN CC[C@H](C#N)[C@@H](O)c1sccc1Br ZINC000228024310 346312543 /nfs/dbraw/zinc/31/25/43/346312543.db2.gz CADZIEJVZIWQFF-HTRCEHHLSA-N 0 0 260.156 3.094 10 30 CGEERN C#CC[C@@H](CC)Nc1ccncc1Br ZINC000228987424 346316412 /nfs/dbraw/zinc/31/64/12/346316412.db2.gz QTBIEJHUBQIAQP-SECBINFHSA-N 0 0 253.143 3.058 10 30 CGEERN C=C[C@H](C)Nc1cc(Br)nc(C(C)C)n1 ZINC000229319299 346316907 /nfs/dbraw/zinc/31/69/07/346316907.db2.gz NOQGVJQMIXQKGT-QMMMGPOBSA-N 0 0 270.174 3.349 10 30 CGEERN N#CC#Cc1cc(Br)cc(Br)c1 ZINC000232479199 346326198 /nfs/dbraw/zinc/32/61/98/346326198.db2.gz PTGVUBRDQPKINL-UHFFFAOYSA-N 0 0 284.938 3.087 10 30 CGEERN COc1ccc(C=Nc2ccc(NC(C)=O)cc2)cc1O ZINC000257352637 346400160 /nfs/dbraw/zinc/40/01/60/346400160.db2.gz MJHLRWJVQVKZMG-UHFFFAOYSA-N 0 0 284.315 3.110 10 30 CGEERN COc1ccc(C=Nc2ccc(NC(C)=O)cc2)cc1 ZINC000254749994 346395573 /nfs/dbraw/zinc/39/55/73/346395573.db2.gz WETLYFZXYMPDDP-UHFFFAOYSA-N 0 0 268.316 3.404 10 30 CGEERN CC#C[C@H](O)c1ccc(Br)cc1Cl ZINC000306296029 346453044 /nfs/dbraw/zinc/45/30/44/346453044.db2.gz WSEMAMOFNSACAN-JTQLQIEISA-N 0 0 259.530 3.159 10 30 CGEERN C=C([C@H](O)c1ccoc1Br)C(F)(F)F ZINC000306502458 346454586 /nfs/dbraw/zinc/45/45/86/346454586.db2.gz SXNUKSZQRDRNNQ-LURJTMIESA-N 0 0 271.032 3.194 10 30 CGEERN CCNC1=C(c2cc(C)ccn2)C(=O)[C@@H](c2ccccc2)O1 ZINC000100297299 185711411 /nfs/dbraw/zinc/71/14/11/185711411.db2.gz PJLWIFDPHJXUQY-QGZVFWFLSA-N 0 0 294.354 3.009 10 30 CGEERN N#Cc1ccc(-c2nc(CC3CCCCC3)no2)nc1 ZINC000379084989 346554273 /nfs/dbraw/zinc/55/42/73/346554273.db2.gz CXOKUTAXZYFLHH-UHFFFAOYSA-N 0 0 268.320 3.126 10 30 CGEERN COC(=O)CCCCCCCc1cccnc1C#N ZINC000584652455 346705274 /nfs/dbraw/zinc/70/52/74/346705274.db2.gz UFIVDVNXOLCZNK-UHFFFAOYSA-N 0 0 260.337 3.009 10 30 CGEERN C#CCOC[C@H]1O[C@H]1c1ccc(Cl)cc1Cl ZINC000584656999 346705804 /nfs/dbraw/zinc/70/58/04/346705804.db2.gz RNAXIOGZMCVRPI-NEPJUHHUSA-N 0 0 257.116 3.083 10 30 CGEERN CCOC(=O)C[C@H](C)[C@@](C)(C#N)c1cccc(OC)c1 ZINC000584594825 346686834 /nfs/dbraw/zinc/68/68/34/346686834.db2.gz ZNAIOHMCEAXLPQ-BLLLJJGKSA-N 0 0 275.348 3.066 10 30 CGEERN CCOC(=O)/N=C(\c1ccc(OC)cc1)C(F)(F)F ZINC000584603213 346690594 /nfs/dbraw/zinc/69/05/94/346690594.db2.gz PCNDJDPJJPKYHW-MHWRWJLKSA-N 0 0 275.226 3.203 10 30 CGEERN CC1=C2CCCC(=O)[C@@]2(c2ccccc2)CCC1=O ZINC000584615896 346693626 /nfs/dbraw/zinc/69/36/26/346693626.db2.gz SGTOHQPJRSCXBT-QGZVFWFLSA-N 0 0 254.329 3.357 10 30 CGEERN C=C[C@@](O)(c1ccncc1)c1ccc(OC(C)C)cc1 ZINC000584637295 346700736 /nfs/dbraw/zinc/70/07/36/346700736.db2.gz PJRQVKGUENMFQD-KRWDZBQOSA-N 0 0 269.344 3.291 10 30 CGEERN CN(CC#CCCC=O)Cc1ccc2ccccc2c1 ZINC000584636408 346701047 /nfs/dbraw/zinc/70/10/47/346701047.db2.gz ZRNKBPSAGUOLIC-UHFFFAOYSA-N 0 0 265.356 3.254 10 30 CGEERN CC[C@H](CC(=O)N[C@@H]1CCC[C@H]1C#N)C(C)(C)C ZINC000601273720 347887792 /nfs/dbraw/zinc/88/77/92/347887792.db2.gz MRNQVYQBEDFQGM-YNEHKIRRSA-N 0 0 250.386 3.257 10 30 CGEERN CCCc1c(Cl)ncnc1N(CC)C[C@H](C)C#N ZINC000104212420 185932671 /nfs/dbraw/zinc/93/26/71/185932671.db2.gz CRMQHZZEMOOMGY-SNVBAGLBSA-N 0 0 266.776 3.068 10 30 CGEERN CC(=O)N1C[C@H](c2ccccc2C#N)Nc2ccccc21 ZINC000616586069 348836821 /nfs/dbraw/zinc/83/68/21/348836821.db2.gz UMHDZNXZBDNLCM-MRXNPFEDSA-N 0 0 277.327 3.078 10 30 CGEERN CC[C@@H]1CCCC[C@H]1Oc1cccc(/C(N)=N/O)c1 ZINC000104381498 185987261 /nfs/dbraw/zinc/98/72/61/185987261.db2.gz JWDLFKVWJMZGRH-BXUZGUMPSA-N 0 0 262.353 3.129 10 30 CGEERN Cc1cc(Oc2ccc(C#N)cc2[N+](=O)[O-])ccc1C#N ZINC000126914809 138387067 /nfs/dbraw/zinc/38/70/67/138387067.db2.gz APXHMGIYRHTWGG-UHFFFAOYSA-N 0 0 279.255 3.439 10 30 CGEERN N#Cc1nc(Oc2ccc(Cl)cc2F)ccc1[N+](=O)[O-] ZINC000302685417 138578884 /nfs/dbraw/zinc/57/88/84/138578884.db2.gz AXIMJCSKJDQGAC-UHFFFAOYSA-N 0 0 293.641 3.446 10 30 CGEERN COc1ccccc1[C@@H](C)CNc1ncccc1C#N ZINC000301170569 200931099 /nfs/dbraw/zinc/93/10/99/200931099.db2.gz JVQRAQFRLCYSOS-LBPRGKRZSA-N 0 0 267.332 3.177 10 30 CGEERN N#Cc1nccnc1NC[C@@H]1C[C@]12CCCc1ccccc12 ZINC000301673285 201129574 /nfs/dbraw/zinc/12/95/74/201129574.db2.gz ZWYVJXLAZTWYTQ-KBXCAEBGSA-N 0 0 290.370 3.054 10 30 CGEERN CO[C@@H](CNc1cc(C)nc(C)c1C#N)c1ccccc1 ZINC000301753770 201178506 /nfs/dbraw/zinc/17/85/06/201178506.db2.gz BZPXRBMFNOYZCB-KRWDZBQOSA-N 0 0 281.359 3.370 10 30 CGEERN Cc1ccc([C@@H](C)NC(=O)c2c(F)cc(C#N)cc2F)o1 ZINC000120035577 370735098 /nfs/dbraw/zinc/73/50/98/370735098.db2.gz NKAOEISGODDGFK-SECBINFHSA-N 0 0 290.269 3.229 10 30 CGEERN C=C1CC/C(=N\O)[C@](C)(NO)CC[C@H]2[C@@H]1CC2(C)C ZINC000004469006 368546266 /nfs/dbraw/zinc/54/62/66/368546266.db2.gz OVUMAORDFYWCGK-VBVGEUPSSA-N 0 0 266.385 3.347 10 30 CGEERN C[C@]12CC[C@H]3[C@@H](C(=O)C=C4C=CCC[C@@]43C=O)[C@@H]1CCC2=O ZINC000013737739 368665390 /nfs/dbraw/zinc/66/53/90/368665390.db2.gz IMIRMQOMASATMY-BHHKEHIISA-N 0 0 298.382 3.042 10 30 CGEERN COc1ccc(C#N)cc1CN1CCCC[C@@H]1c1cn[nH]c1 ZINC000121824029 370899834 /nfs/dbraw/zinc/89/98/34/370899834.db2.gz NNZLQTAJHHMUKP-MRXNPFEDSA-N 0 0 296.374 3.017 10 30 CGEERN COc1ccccc1[C@@H]1O[C@@H]1C(=O)c1c[nH]c2ccccc21 ZINC000015017507 368688351 /nfs/dbraw/zinc/68/83/51/368688351.db2.gz MBCHQEXCFXREOF-ZWKOTPCHSA-N 0 0 293.322 3.499 10 30 CGEERN N#Cc1cccc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000027839789 368877392 /nfs/dbraw/zinc/87/73/92/368877392.db2.gz ZAJWSJXNPIPCTR-QWHCGFSZSA-N 0 0 296.292 3.409 10 30 CGEERN CCOc1ccccc1CN=Nc1ccccc1[N+](=O)[O-] ZINC000033391525 368963175 /nfs/dbraw/zinc/96/31/75/368963175.db2.gz OHKLZJIMESJKFG-WJDWOHSUSA-N 0 0 285.303 3.440 10 30 CGEERN O=CC1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000054268412 369500426 /nfs/dbraw/zinc/50/04/26/369500426.db2.gz WHWYRVRUKOETED-UHFFFAOYSA-N 0 0 257.255 3.121 10 30 CGEERN N#C[C@H]1CCC[C@H]1NCc1cc(F)ccc1Br ZINC000054825897 369507976 /nfs/dbraw/zinc/50/79/76/369507976.db2.gz PDWONLPSMMCNDY-NOZJJQNGSA-N 0 0 297.171 3.370 10 30 CGEERN COc1ccc([C@@H](C)Nc2ccnc(C#N)c2)cc1OC ZINC000061811867 369607137 /nfs/dbraw/zinc/60/71/37/369607137.db2.gz KQFJKMDNURWKTA-LLVKDONJSA-N 0 0 283.331 3.144 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1cc(Cl)ccc1Cl ZINC000061888644 369609763 /nfs/dbraw/zinc/60/97/63/369609763.db2.gz NWQNEDBGMMBFKQ-PELKAZGASA-N 0 0 283.158 3.415 10 30 CGEERN COc1cccc(CN[C@H]2CCC[C@@H]2C#N)c1OC(F)F ZINC000061891927 369611090 /nfs/dbraw/zinc/61/10/90/369611090.db2.gz HYAWJGJPGOLDSM-PWSUYJOCSA-N 0 0 296.317 3.078 10 30 CGEERN COc1cccc(-c2cc3c(cc(C#N)cc3O)[nH]2)c1 ZINC000066091636 369688472 /nfs/dbraw/zinc/68/84/72/369688472.db2.gz ZIKOVZJVTWFZNS-UHFFFAOYSA-N 0 0 264.284 3.421 10 30 CGEERN C=C(C)COc1cccc(NC(=O)N[C@H]2C[C@H]2C)c1 ZINC000076037320 369927520 /nfs/dbraw/zinc/92/75/20/369927520.db2.gz UTQARGFTGWMYHT-RISCZKNCSA-N 0 0 260.337 3.171 10 30 CGEERN COC(=O)c1ccc(/N=C\c2ccc(F)cc2)cc1 ZINC000100223384 370273718 /nfs/dbraw/zinc/27/37/18/370273718.db2.gz OYNMKENXQHRRMH-YVLHZVERSA-N 0 0 257.264 3.363 10 30 CGEERN C/C(=N/NC(=S)Nc1ccc(C)cc1)c1ccccc1O ZINC000100480997 370279763 /nfs/dbraw/zinc/27/97/63/370279763.db2.gz YCGQCCOZQBDGEZ-PDGQHHTCSA-N 0 0 299.399 3.411 10 30 CGEERN N#Cc1cc(F)ccc1CN1CCCC[C@@H]1c1cn[nH]c1 ZINC000114483727 370503004 /nfs/dbraw/zinc/50/30/04/370503004.db2.gz CADULLUCLDDOHB-MRXNPFEDSA-N 0 0 284.338 3.148 10 30 CGEERN N#Cc1ccc(C(=O)N2CCC[C@@H]2c2ccco2)cc1 ZINC000116046984 370545726 /nfs/dbraw/zinc/54/57/26/370545726.db2.gz RCLXPUZKKJFXRW-CQSZACIVSA-N 0 0 266.300 3.129 10 30 CGEERN COc1ccc([C@H](C)NCc2ccc(C#N)o2)cc1OC ZINC000135155813 371395676 /nfs/dbraw/zinc/39/56/76/371395676.db2.gz OAGONWGGRJLMSM-NSHDSACASA-N 0 0 286.331 3.019 10 30 CGEERN C[C@@H]1CC(CNc2nc(Cl)c(C#N)s2)C[C@@H](C)O1 ZINC000287548665 371671910 /nfs/dbraw/zinc/67/19/10/371671910.db2.gz BXAQDMLAJIOQPP-HTQZYQBOSA-N 0 0 285.800 3.284 10 30 CGEERN C[C@H]1CC[C@@H](C(=O)Nc2ccccc2SCCC#N)O1 ZINC000153424868 371768281 /nfs/dbraw/zinc/76/82/81/371768281.db2.gz ONONCPHSIZSQQQ-AAEUAGOBSA-N 0 0 290.388 3.198 10 30 CGEERN Cc1ccc([C@H]2CN(Cc3ccc(C#N)cc3)CCO2)o1 ZINC000159025762 372100940 /nfs/dbraw/zinc/10/09/40/372100940.db2.gz DODHXTMNGKZGQJ-QGZVFWFLSA-N 0 0 282.343 3.033 10 30 CGEERN Cc1ccc([C@H](O)CNc2cc(C)nc(C)c2C#N)cc1 ZINC000160486089 372252066 /nfs/dbraw/zinc/25/20/66/372252066.db2.gz NXFMUPNGPAQJOY-QGZVFWFLSA-N 0 0 281.359 3.024 10 30 CGEERN CC(C)c1ccc([C@H](C)NS(=O)(=O)CCCC#N)cc1 ZINC000171979145 372872998 /nfs/dbraw/zinc/87/29/98/372872998.db2.gz KIHQJQWPHXOEDH-ZDUSSCGKSA-N 0 0 294.420 3.094 10 30 CGEERN C=CCCCN(C)C(=O)N[C@@H](C)c1cccs1 ZINC000172347254 372946243 /nfs/dbraw/zinc/94/62/43/372946243.db2.gz BHDFAEAYABJMFK-NSHDSACASA-N 0 0 252.383 3.417 10 30 CGEERN Cc1ccc([C@](C)(O)CNc2c(F)cc(C#N)cc2F)o1 ZINC000301405842 373771822 /nfs/dbraw/zinc/77/18/22/373771822.db2.gz GPOYUTGMGZAOQU-OAHLLOKOSA-N 0 0 292.285 3.058 10 30 CGEERN C[C@@H]1CCCCN(C(=O)N[C@@H]2CCC(=O)NC23CCC3)C1 ZINC000328703426 374376865 /nfs/dbraw/zinc/37/68/65/374376865.db2.gz OFBIDCKGLRPOMD-CHWSQXEVSA-N 0 0 293.411 3.064 10 30 CGEERN Cc1nc2ccc(NC(=O)N3C[C@@H]4CCC[C@H]43)cc2o1 ZINC000329945680 374445604 /nfs/dbraw/zinc/44/56/04/374445604.db2.gz FXSQNTLLSXDBGS-GXFFZTMASA-N 0 0 271.320 3.166 10 30 CGEERN C[C@@H]1CCC[C@@H](Nc2cnn(-c3ncccc3C#N)c2)C1 ZINC000186005186 374783363 /nfs/dbraw/zinc/78/33/63/374783363.db2.gz WAODLZIKMSJHRN-TZMCWYRMSA-N 0 0 281.363 3.130 10 30 CGEERN Cc1cccc2c1OCC[C@@H]2NC(=O)c1sccc1C#N ZINC000189959102 375463320 /nfs/dbraw/zinc/46/33/20/375463320.db2.gz BNWCCRUGKDXZKQ-ZDUSSCGKSA-N 0 0 298.367 3.182 10 30 CGEERN CC(C)n1nnnc1CS[C@@H](C)c1cccc(C#N)c1 ZINC000190806946 375541354 /nfs/dbraw/zinc/54/13/54/375541354.db2.gz QVJRXXVONBPLCK-NSHDSACASA-N 0 0 287.392 3.120 10 30 CGEERN CCCCOC[C@H](O)CSc1ccc(C#N)cc1Cl ZINC000193385384 375872013 /nfs/dbraw/zinc/87/20/13/375872013.db2.gz OCGZGVBSWLCMNW-LBPRGKRZSA-N 0 0 299.823 3.481 10 30 CGEERN C=C(Br)CN1CCC[C@H](c2nccs2)C1 ZINC000195442098 376103189 /nfs/dbraw/zinc/10/31/89/376103189.db2.gz WTKFQFGTJBHXAA-JTQLQIEISA-N 0 0 287.226 3.231 10 30 CGEERN C=C(C)[C@H]1CSC(N(C(C)=O)c2ccccc2)=N1 ZINC000196398151 376119714 /nfs/dbraw/zinc/11/97/14/376119714.db2.gz BWOUZJWUSRPCCW-CYBMUJFWSA-N 0 0 260.362 3.087 10 30 CGEERN Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C#N)c(Cl)c1 ZINC000235863830 376652347 /nfs/dbraw/zinc/65/23/47/376652347.db2.gz CRLRDTZHSOVCPW-ZWNOBZJWSA-N 0 0 262.740 3.071 10 30 CGEERN N#Cc1cc(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)ccc1Cl ZINC000249908446 377540927 /nfs/dbraw/zinc/54/09/27/377540927.db2.gz NJJLUKMHNRQLTN-ILWJIGKKSA-N 0 0 260.724 3.196 10 30 CGEERN CCOC=Nc1sc(C(=O)OC(C)C)c(C)c1C#N ZINC000254524474 377710440 /nfs/dbraw/zinc/71/04/40/377710440.db2.gz QUPPQZXGNLCNSP-UHFFFAOYSA-N 0 0 280.349 3.190 10 30 CGEERN CCOC(=O)c1cc(CC)c(C(F)F)cc1C#N ZINC000575389398 377897832 /nfs/dbraw/zinc/89/78/32/377897832.db2.gz GHNBUMPKPHPBIN-UHFFFAOYSA-N 0 0 253.248 3.235 10 30 CGEERN CCOC(=O)c1c(C#N)cc(CC)cc1C(F)(F)F ZINC000575390184 377898451 /nfs/dbraw/zinc/89/84/51/377898451.db2.gz ZFUDCZSFUJWKOP-UHFFFAOYSA-N 0 0 271.238 3.316 10 30 CGEERN COC(=O)Cc1ccc(SC(F)(F)F)c(F)c1C#N ZINC000575390633 377898714 /nfs/dbraw/zinc/89/87/14/377898714.db2.gz IPFKWQGGSVGVHL-UHFFFAOYSA-N 0 0 293.241 3.025 10 30 CGEERN COC(=O)c1cc(C#N)c(C(F)(F)F)c(C(F)F)c1 ZINC000575343921 377883473 /nfs/dbraw/zinc/88/34/73/377883473.db2.gz JPKRWSDJLUEOPK-UHFFFAOYSA-N 0 0 279.164 3.301 10 30 CGEERN COC(=O)c1c(C(F)(F)F)ccc(C#N)c1C(F)F ZINC000575344198 377884005 /nfs/dbraw/zinc/88/40/05/377884005.db2.gz UWKGCAAHYOTCOX-UHFFFAOYSA-N 0 0 279.164 3.301 10 30 CGEERN O=C(c1c(F)c(F)c(F)c(F)c1F)C(F)(F)C(F)F ZINC000575358479 377886562 /nfs/dbraw/zinc/88/65/62/377886562.db2.gz AVBDVTVFXLNKSM-UHFFFAOYSA-N 0 0 296.088 3.465 10 30 CGEERN CCOC(=O)Cc1cc(CC)c(C(F)(F)F)cc1C#N ZINC000575389851 377899027 /nfs/dbraw/zinc/89/90/27/377899027.db2.gz SDCUDAYUDNNVKP-UHFFFAOYSA-N 0 0 285.265 3.245 10 30 CGEERN CCOC(=O)c1cc(C#N)cc(Cl)c1OC(F)(F)F ZINC000575382827 377893028 /nfs/dbraw/zinc/89/30/28/377893028.db2.gz CNFZJXLGLYYIHM-UHFFFAOYSA-N 0 0 293.628 3.287 10 30 CGEERN COC(=O)c1c(Cl)cc(C(F)(F)F)cc1C#N ZINC000575383088 377894092 /nfs/dbraw/zinc/89/40/92/377894092.db2.gz GDHQTVURBKKRAN-UHFFFAOYSA-N 0 0 263.602 3.017 10 30 CGEERN CCOC(=O)c1c(C#N)ccc(C(F)F)c1OC(F)F ZINC000575385202 377895221 /nfs/dbraw/zinc/89/52/21/377895221.db2.gz CEFBFTICTRSCTG-UHFFFAOYSA-N 0 0 291.200 3.274 10 30 CGEERN CCOC(=O)c1cc(C#N)c(C(F)F)c(OC(F)F)c1 ZINC000575385344 377895294 /nfs/dbraw/zinc/89/52/94/377895294.db2.gz LZAMAPYZFCYOAI-UHFFFAOYSA-N 0 0 291.200 3.274 10 30 CGEERN CCOC(=O)c1ccc(OC(F)(F)F)c(CC)c1C#N ZINC000575389126 377896338 /nfs/dbraw/zinc/89/63/38/377896338.db2.gz ZPEWOIAZPVLCND-UHFFFAOYSA-N 0 0 287.237 3.196 10 30 CGEERN CCOC(=O)c1cc(CC)c(OC(F)(F)F)cc1C#N ZINC000575388904 377896344 /nfs/dbraw/zinc/89/63/44/377896344.db2.gz JTEATOXJNUJBKO-UHFFFAOYSA-N 0 0 287.237 3.196 10 30 CGEERN CCOC(=O)c1c(O)cc(SC(F)(F)F)cc1C#N ZINC000575391993 377899597 /nfs/dbraw/zinc/89/95/97/377899597.db2.gz KATXIOSWYRPRBK-UHFFFAOYSA-N 0 0 291.250 3.052 10 30 CGEERN C/C=C/C(=O)c1cccc(I)c1 ZINC000575580129 377919478 /nfs/dbraw/zinc/91/94/78/377919478.db2.gz VGRVCNXFLQFZRH-DUXPYHPUSA-N 0 0 272.085 3.050 10 30 CGEERN CCOc1cc(CC#N)c(OC(F)F)cc1OCC ZINC000575645678 377926442 /nfs/dbraw/zinc/92/64/42/377926442.db2.gz BLOHMOAWBOFUGZ-UHFFFAOYSA-N 0 0 271.263 3.151 10 30 CGEERN CCc1cc(OC(F)(F)F)c(CC#N)cc1C#N ZINC000575650514 377928817 /nfs/dbraw/zinc/92/88/17/377928817.db2.gz XMJMTSGSKBQBJB-UHFFFAOYSA-N 0 0 254.211 3.085 10 30 CGEERN CCc1ccc(C#N)c(I)c1CC ZINC000575652413 377929468 /nfs/dbraw/zinc/92/94/68/377929468.db2.gz RBMWXFXQPJIGNN-UHFFFAOYSA-N 0 0 285.128 3.288 10 30 CGEERN N#Cc1cc(C(F)(F)F)cc(F)c1OC(F)F ZINC000575660015 377936047 /nfs/dbraw/zinc/93/60/47/377936047.db2.gz KTIWEFKPPONRKG-UHFFFAOYSA-N 0 0 255.117 3.318 10 30 CGEERN N#Cc1cc(OC(F)F)cc(OC(F)(F)F)c1F ZINC000575660532 377937261 /nfs/dbraw/zinc/93/72/61/377937261.db2.gz RGWLDOJBUDHZTC-UHFFFAOYSA-N 0 0 271.116 3.197 10 30 CGEERN N#Cc1cc(C(F)(F)F)cc([N+](=O)[O-])c1OC(F)F ZINC000575668692 377946360 /nfs/dbraw/zinc/94/63/60/377946360.db2.gz WRAXQBICKQMSKG-UHFFFAOYSA-N 0 0 282.124 3.087 10 30 CGEERN Cc1cc(Br)cc(CC#N)c1OC(F)F ZINC000575682948 377956980 /nfs/dbraw/zinc/95/69/80/377956980.db2.gz HHPZLNLGWGQFKA-UHFFFAOYSA-N 0 0 276.080 3.425 10 30 CGEERN CCOc1cc(C#N)c(CC)c(OC(F)(F)F)c1 ZINC000575671986 377948334 /nfs/dbraw/zinc/94/83/34/377948334.db2.gz TVIVYISKAQUOTD-UHFFFAOYSA-N 0 0 259.227 3.418 10 30 CGEERN N#CCc1c(F)cc(OC(F)F)cc1Br ZINC000575680051 377953854 /nfs/dbraw/zinc/95/38/54/377953854.db2.gz JKRWBEUZWRJRDK-UHFFFAOYSA-N 0 0 280.043 3.256 10 30 CGEERN CCOC(=O)c1cc(C(F)(F)F)cc(C#N)c1C ZINC000575395124 377902186 /nfs/dbraw/zinc/90/21/86/377902186.db2.gz ORYJUTJTPGGAQK-UHFFFAOYSA-N 0 0 257.211 3.062 10 30 CGEERN CCOC(=O)c1cc(C(F)(F)F)cc(C)c1C#N ZINC000575394432 377902192 /nfs/dbraw/zinc/90/21/92/377902192.db2.gz HLCVFRJMHFGKJW-UHFFFAOYSA-N 0 0 257.211 3.062 10 30 CGEERN COc1ccc(C(F)F)c(CC#N)c1Br ZINC000575683946 377958233 /nfs/dbraw/zinc/95/82/33/377958233.db2.gz AXIFGDTVBUBMRG-UHFFFAOYSA-N 0 0 276.080 3.461 10 30 CGEERN N#Cc1c(F)cc(OC(F)(F)F)cc1Br ZINC000575689412 377964504 /nfs/dbraw/zinc/96/45/04/377964504.db2.gz JNUYPVZFDXBWMX-UHFFFAOYSA-N 0 0 284.006 3.358 10 30 CGEERN N#CCc1cc(O)c(OC(F)(F)F)cc1Br ZINC000575692062 377966447 /nfs/dbraw/zinc/96/64/47/377966447.db2.gz UKMKUZHFMDWHKP-UHFFFAOYSA-N 0 0 296.042 3.119 10 30 CGEERN N#CCc1c(Br)cc(O)cc1C(F)(F)F ZINC000575692588 377968084 /nfs/dbraw/zinc/96/80/84/377968084.db2.gz YAFACCNCZHCWCW-UHFFFAOYSA-N 0 0 280.043 3.240 10 30 CGEERN Oc1cc(OC(F)(F)F)c(F)cc1C(F)(F)F ZINC000575702697 377975802 /nfs/dbraw/zinc/97/58/02/377975802.db2.gz GMJPKXABBLTGFS-UHFFFAOYSA-N 0 0 264.096 3.449 10 30 CGEERN CCc1c(CC#N)ccc(OC(F)(F)F)c1C=O ZINC000575703442 377976767 /nfs/dbraw/zinc/97/67/67/377976767.db2.gz UWQAAIZHANSKHE-UHFFFAOYSA-N 0 0 257.211 3.026 10 30 CGEERN CC1(C)CCCCN(c2c(C#N)cccc2C#N)C1 ZINC000408406449 380009131 /nfs/dbraw/zinc/00/91/31/380009131.db2.gz QZIHNVDLMXPWGN-UHFFFAOYSA-N 0 0 253.349 3.446 10 30 CGEERN Cc1cccc(OCC(=O)Nc2ccccc2C#N)c1C ZINC000000513760 184527738 /nfs/dbraw/zinc/52/77/38/184527738.db2.gz JZDRUWMUASLXHU-UHFFFAOYSA-N 0 0 280.327 3.193 10 30 CGEERN C#CCCCC(=O)N1CCC[C@@H](c2nc(CC)cs2)C1 ZINC000192112152 533006027 /nfs/dbraw/zinc/00/60/27/533006027.db2.gz CURBDCVJANDJIL-CYBMUJFWSA-N 0 0 290.432 3.215 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)NC(C1CCC1)C1CCC1 ZINC000329370032 542445920 /nfs/dbraw/zinc/44/59/20/542445920.db2.gz INTNQFCEOFHLCY-UONOGXRCSA-N 0 0 275.396 3.151 10 30 CGEERN Cc1cnc([C@H](C)NC(=O)N2CC(C)(C)[C@@H]2C2CC2)o1 ZINC000329616861 542447669 /nfs/dbraw/zinc/44/76/69/542447669.db2.gz PZEWIPMICRKZCI-JQWIXIFHSA-N 0 0 277.368 3.078 10 30 CGEERN CC(C)c1scnc1NC(=O)N[C@@H]1CCC[C@H]1C#N ZINC000329565866 542447759 /nfs/dbraw/zinc/44/77/59/542447759.db2.gz ONBLFHHARYXWLV-VHSXEESVSA-N 0 0 278.381 3.285 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCSc2ccccc21 ZINC000332956194 542451734 /nfs/dbraw/zinc/45/17/34/542451734.db2.gz LINDGHAHYKRPGF-IACUBPJLSA-N 0 0 286.400 3.074 10 30 CGEERN C=C[C@H](O)C#CC#CC[C@H]1O[C@@H]1CCCCCCC ZINC000100777316 260028631 /nfs/dbraw/zinc/02/86/31/260028631.db2.gz GVLDSGIQZAFIAN-GVDBMIGSSA-N 0 0 260.377 3.058 10 30 endogenous,in-man CGEERN CCCOc1ccc([C@H](C)NCC#N)cc1OCCC ZINC000120128182 392398107 /nfs/dbraw/zinc/39/81/07/392398107.db2.gz XMMNZTWBSHJYRM-ZDUSSCGKSA-N 0 0 276.380 3.438 10 30 CGEERN C[C@@H]1CCN(C(=O)Nc2ccc(C#N)cc2)C[C@@H](C)C1 ZINC000154367022 392535216 /nfs/dbraw/zinc/53/52/16/392535216.db2.gz KVWHEZYDVNKSFP-OLZOCXBDSA-N 0 0 271.364 3.458 10 30 CGEERN C=CCN(Cc1nnc(C)n1CC)CC1CCCCC1 ZINC000171963494 392617253 /nfs/dbraw/zinc/61/72/53/392617253.db2.gz CTMGRPJCYGQBPJ-UHFFFAOYSA-N 0 0 276.428 3.175 10 30 CGEERN O=CC1(Cc2ccc(F)c(Br)c2)CCC1 ZINC000306449645 392637973 /nfs/dbraw/zinc/63/79/73/392637973.db2.gz BADZCNSCFRQYME-UHFFFAOYSA-N 0 0 271.129 3.500 10 30 CGEERN Cc1ccc([C@@H](C)NCC#Cc2ccc(F)cc2)o1 ZINC000182565248 392748196 /nfs/dbraw/zinc/74/81/96/392748196.db2.gz IFYIBRDKXHJNFM-CYBMUJFWSA-N 0 0 257.308 3.429 10 30 CGEERN CCCCCOc1ncc(Br)cc1C#N ZINC000211562086 392985415 /nfs/dbraw/zinc/98/54/15/392985415.db2.gz SIYNHXQGNYZRGT-UHFFFAOYSA-N 0 0 269.142 3.285 10 30 CGEERN Cc1ccc(SCCC(=O)N[C@H]2CCC[C@H]2C#N)cc1 ZINC000360328732 393564250 /nfs/dbraw/zinc/56/42/50/393564250.db2.gz HBAIORNVXGNCOP-ZFWWWQNUSA-N 0 0 288.416 3.286 10 30 CGEERN C=C(C(=O)c1ccc(Br)o1)C(F)(F)F ZINC000307487853 397680668 /nfs/dbraw/zinc/68/06/68/397680668.db2.gz CQNMXEKNXVTYOV-UHFFFAOYSA-N 0 0 269.016 3.343 10 30 CGEERN Cc1cc(Cl)cc([S@@](=O)c2cccc(N)c2C#N)c1 ZINC000005930680 170157133 /nfs/dbraw/zinc/15/71/33/170157133.db2.gz WSCFYUPTXVJCQG-IBGZPJMESA-N 0 0 290.775 3.269 10 30 CGEERN CN(C)c1ccc(C=[NH+][N-]c2ccc(F)cc2)cc1 ZINC000006368546 170195513 /nfs/dbraw/zinc/19/55/13/170195513.db2.gz JKZOOAHLJDXGMS-GZTJUZNOSA-N 0 0 257.312 3.338 10 30 CGEERN CCN(CC(=O)Nc1ccccc1C#N)Cc1cccs1 ZINC000007613653 170294192 /nfs/dbraw/zinc/29/41/92/170294192.db2.gz AGIKJCVQFHSKPS-UHFFFAOYSA-N 0 0 299.399 3.080 10 30 CGEERN N#Cc1ccccc1COc1ccc2c(c1)CCC(=O)N2 ZINC000019425546 170794781 /nfs/dbraw/zinc/79/47/81/170794781.db2.gz YZSKYNMAVWLOTG-UHFFFAOYSA-N 0 0 278.311 3.022 10 30 CGEERN C[C@@H](OCC(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000019847400 170896580 /nfs/dbraw/zinc/89/65/80/170896580.db2.gz XASAKSWAGWYSBU-CYBMUJFWSA-N 0 0 280.327 3.275 10 30 CGEERN N/C(=N\O)c1ccccc1CSc1ccc(F)cc1 ZINC000019847817 170896976 /nfs/dbraw/zinc/89/69/76/170896976.db2.gz BVWSGQSPYMSOGL-UHFFFAOYSA-N 0 0 276.336 3.213 10 30 CGEERN Cc1cccc(Oc2ccc(/C(N)=N/O)cc2)c1C ZINC000019866308 170899565 /nfs/dbraw/zinc/89/95/65/170899565.db2.gz WBAHIKNIAWMPKT-UHFFFAOYSA-N 0 0 256.305 3.190 10 30 CGEERN CC(C)CS[C@@H](C)C(=O)Nc1ccc(C#N)cc1 ZINC000020297577 171137675 /nfs/dbraw/zinc/13/76/75/171137675.db2.gz DNVKMIAVEXWURR-NSHDSACASA-N 0 0 262.378 3.274 10 30 CGEERN C#CCNC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)on1 ZINC000022325525 171385033 /nfs/dbraw/zinc/38/50/33/171385033.db2.gz MQXFISDOLSPMBA-UHFFFAOYSA-N 0 0 282.343 3.002 10 30 CGEERN CC[C@H](NCc1cccnc1C#N)c1cccs1 ZINC000061658373 522660012 /nfs/dbraw/zinc/66/00/12/522660012.db2.gz FRPATDOBSYGPNR-LBPRGKRZSA-N 0 0 257.362 3.256 10 30 CGEERN C=C(C)C(=O)NCCCc1nc2ccccc2n1CCCC ZINC000035144806 172010247 /nfs/dbraw/zinc/01/02/47/172010247.db2.gz SXEAOLZAZORVBE-UHFFFAOYSA-N 0 0 299.418 3.461 10 30 CGEERN C[C@@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1ccccc1O ZINC000035230308 172070883 /nfs/dbraw/zinc/07/08/83/172070883.db2.gz OADUWXJGMTWYTM-SNVBAGLBSA-N 0 0 283.287 3.345 10 30 CGEERN CCOc1ccccc1NC1=N[C@@H](CC)CS1 ZINC000035294451 172106194 /nfs/dbraw/zinc/10/61/94/172106194.db2.gz QGPRDBWVHPJJIB-JTQLQIEISA-N 0 0 250.367 3.188 10 30 CGEERN CC[C@@H]1CSC(Nc2ccc(C#N)c(Cl)c2)=N1 ZINC000035295310 172107348 /nfs/dbraw/zinc/10/73/48/172107348.db2.gz JFHHOVCEHYRTOK-SECBINFHSA-N 0 0 265.769 3.314 10 30 CGEERN CCCC(=O)[C@@H](C#N)c1cc(Cl)ccc1OC ZINC000036931317 172811176 /nfs/dbraw/zinc/81/11/76/172811176.db2.gz CRGCHOHKKZXAAO-NSHDSACASA-N 0 0 251.713 3.325 10 30 CGEERN Cc1n[nH]c(C)c1CNc1cc(Cl)ccc1C#N ZINC000036954547 172826154 /nfs/dbraw/zinc/82/61/54/172826154.db2.gz SMHFZHHVCPNHNN-UHFFFAOYSA-N 0 0 260.728 3.164 10 30 CGEERN N#Cc1ccccc1COc1ccc(Cl)cc1CO ZINC000037312111 173114285 /nfs/dbraw/zinc/11/42/85/173114285.db2.gz YVZWWAZDXQPAIN-UHFFFAOYSA-N 0 0 273.719 3.283 10 30 CGEERN N#Cc1ccc([C@H](C#N)Nc2cccc(F)c2)cc1 ZINC000037937024 173877545 /nfs/dbraw/zinc/87/75/45/173877545.db2.gz VEFHGMXLYSDOPA-HNNXBMFYSA-N 0 0 251.264 3.374 10 30 CGEERN CC(C)CN[C@@H](C#N)c1ccc(OC(F)(F)F)cc1 ZINC000037939172 173878896 /nfs/dbraw/zinc/87/88/96/173878896.db2.gz QQJHOXGRJJGQFS-LBPRGKRZSA-N 0 0 272.270 3.395 10 30 CGEERN N#C[C@H](NC[C@@H]1CCCO1)c1cccc(Cl)c1Cl ZINC000037939808 173879422 /nfs/dbraw/zinc/87/94/22/173879422.db2.gz LGOFLMMWURPBBJ-CABZTGNLSA-N 0 0 285.174 3.327 10 30 CGEERN C=C(C)Cn1c(CCCNC(=O)/C=C\C)nc2ccccc21 ZINC000040210233 174203564 /nfs/dbraw/zinc/20/35/64/174203564.db2.gz DWWHXKJGNNNCEU-YWEYNIOJSA-N 0 0 297.402 3.237 10 30 CGEERN N#CC1(NC(=O)c2c(F)cccc2Cl)CCCC1 ZINC000040216302 174204646 /nfs/dbraw/zinc/20/46/46/174204646.db2.gz FGAFEILODCHOQL-UHFFFAOYSA-N 0 0 266.703 3.045 10 30 CGEERN C=CCn1c(CCCCCNC(=O)C=C)nc2ccccc21 ZINC000040219566 174207056 /nfs/dbraw/zinc/20/70/56/174207056.db2.gz PSUYIOQRXQURQN-UHFFFAOYSA-N 0 0 297.402 3.237 10 30 CGEERN Cn1c(C(=O)Nc2ccc(C#N)cc2)cc2c1cccc2F ZINC000040788305 174405421 /nfs/dbraw/zinc/40/54/21/174405421.db2.gz QQNSTJRNZFKWJL-UHFFFAOYSA-N 0 0 293.301 3.441 10 30 CGEERN CC(N=Nc1ccccc1[N+](=O)[O-])c1ccc(O)cc1 ZINC000043776480 175105506 /nfs/dbraw/zinc/10/55/06/175105506.db2.gz AOFPBKXVKJETLS-GDNBJRDFSA-N 0 0 271.276 3.137 10 30 CGEERN COc1cccc([C@H](C#N)C(=O)c2ccoc2C)c1 ZINC000044375094 175168659 /nfs/dbraw/zinc/16/86/59/175168659.db2.gz RWZJRUUNZRROBT-AWEZNQCLSA-N 0 0 255.273 3.087 10 30 CGEERN Cc1ccc(NC(=O)[C@H](C#N)Cc2ccccc2)cc1 ZINC000044811724 175258164 /nfs/dbraw/zinc/25/81/64/175258164.db2.gz ZGLNMVMSHWMIDM-HNNXBMFYSA-N 0 0 264.328 3.316 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)Nc1ccccc1Cl ZINC000061889419 175657404 /nfs/dbraw/zinc/65/74/04/175657404.db2.gz YQHVSKPLCFOOHC-MWLCHTKSSA-N 0 0 263.728 3.154 10 30 CGEERN C[C@@H]1C[C@H](S)CCN1C(=O)OCc1ccccc1 ZINC000073657350 176484044 /nfs/dbraw/zinc/48/40/44/176484044.db2.gz TUKOPQOCOYACOJ-DGCLKSJQSA-N 0 0 265.378 3.106 10 30 CGEERN O=C(C[C@H]1CCCCNC1=O)NCC1CCSCC1 ZINC000329245817 227378312 /nfs/dbraw/zinc/37/83/12/227378312.db2.gz AIYAWONGBSFFMN-GFCCVEGCSA-N 0 0 284.425 3.233 10 30 CGEERN O=C(NCCC1CCOCC1)N[C@@H]1CC12CCCCC2 ZINC000329098283 227295924 /nfs/dbraw/zinc/29/59/24/227295924.db2.gz CPZFLZZEJFYRIG-CQSZACIVSA-N 0 0 280.412 3.030 10 30 CGEERN Cc1ccnn1-c1ccccc1NC(=O)N1C[C@@H]2CCC[C@@H]21 ZINC000329763075 227941204 /nfs/dbraw/zinc/94/12/04/227941204.db2.gz UBICXUPSOBOLHR-ZFWWWQNUSA-N 0 0 296.374 3.211 10 30 CGEERN O=C(NC1CCC1)N[C@@H]1CCC[C@@H]1OCc1ccccc1 ZINC000330221687 228071466 /nfs/dbraw/zinc/07/14/66/228071466.db2.gz RHTBPYJWTMTPMM-CVEARBPZSA-N 0 0 288.391 3.180 10 30 CGEERN O=C(Nc1ccccc1-n1cccn1)N1CC[C@@H]2CCC[C@@H]21 ZINC000330266325 228085253 /nfs/dbraw/zinc/08/52/53/228085253.db2.gz HNOWNNZWAOSNHD-ZFWWWQNUSA-N 0 0 296.374 3.292 10 30 CGEERN N#C[C@@H]1CCC[C@H]1Nc1nc(C2CCCCC2)ns1 ZINC000333717954 228211362 /nfs/dbraw/zinc/21/13/62/228211362.db2.gz UBLKXWSYZSPDNF-NWDGAFQWSA-N 0 0 276.409 3.112 10 30 CGEERN CC1(C)CCC(CC(=O)N[C@@H]2CCC[C@H]2C#N)CC1 ZINC000407962457 260084447 /nfs/dbraw/zinc/08/44/47/260084447.db2.gz BETNHRGRGNYVPX-UONOGXRCSA-N 0 0 262.397 3.401 10 30 CGEERN Cc1cnc([C@H](C)NC(=O)C[C@@H]2CCCCC(=O)N2)o1 ZINC000328679930 263841806 /nfs/dbraw/zinc/84/18/06/263841806.db2.gz UIIMSENZUWLBIV-QWRGUYRKSA-N 0 0 279.340 3.290 10 30 CGEERN CC(C)[C@@H]1C[C@@H]1C(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000328744001 263852838 /nfs/dbraw/zinc/85/28/38/263852838.db2.gz NTFLNIXNTCCNGW-SRVKXCTJSA-N 0 0 264.369 3.277 10 30 CGEERN Cc1cnc(NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)o1 ZINC000328787718 263871633 /nfs/dbraw/zinc/87/16/33/263871633.db2.gz JQDQJMDGMGHGHS-LRDDRELGSA-N 0 0 284.315 3.311 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000093655695 265187939 /nfs/dbraw/zinc/18/79/39/265187939.db2.gz VVTNDSCTCVLEGW-OJYUVLBFSA-N 0 0 286.419 3.401 10 30 CGEERN CC(C)c1ccc(C(=O)N[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000061889067 278031330 /nfs/dbraw/zinc/03/13/30/278031330.db2.gz GNMOUHLMEXRAOR-HUUCEWRRSA-N 0 0 256.349 3.232 10 30 CGEERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)Nc1ccc(C#N)cc1 ZINC000117564020 278109255 /nfs/dbraw/zinc/10/92/55/278109255.db2.gz URXIQBXSZDIMDV-BZNIZROVSA-N 0 0 278.311 3.061 10 30 CGEERN CC(C)[C@H]1CCO[C@H]1C(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000329357002 280391039 /nfs/dbraw/zinc/39/10/39/280391039.db2.gz WLAPFTOABBCJOB-MBNYWOFBSA-N 0 0 294.395 3.046 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1cc2cc(F)ccc2s1 ZINC000336081758 294818971 /nfs/dbraw/zinc/81/89/71/294818971.db2.gz ASFFIIDHBAPFEL-CABZTGNLSA-N 0 0 288.347 3.462 10 30 CGEERN N#Cc1cc(N2C[C@H]3CCCC[C@H]32)nc2ccccc12 ZINC000368184296 294887124 /nfs/dbraw/zinc/88/71/24/294887124.db2.gz LGGIKSMGDCMONR-MLGOLLRUSA-N 0 0 263.344 3.485 10 30 CGEERN N[C@H](c1cc(F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000072195544 295332333 /nfs/dbraw/zinc/33/23/33/295332333.db2.gz LCFXZDCXFDPUJV-SSDOTTSWSA-N 0 0 261.140 3.407 10 30 CGEERN C[C@@H]1C[C@@H]1NC(=O)C1CCC(NC(=O)C2CC2)CC1 ZINC000330022851 533702103 /nfs/dbraw/zinc/70/21/03/533702103.db2.gz HTAWWTOFMUODLH-QWCHVHKLSA-N 0 0 264.369 3.277 10 30 CGEERN O=S(=O)(/N=C(\Cl)c1ccccc1)c1cccs1 ZINC000003885259 326807971 /nfs/dbraw/zinc/80/79/71/326807971.db2.gz PXABJGXVTJGPEE-QBFSEMIESA-N 0 0 285.777 3.122 10 30 CGEERN C=C(C)CN(CC)C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109081890 326824205 /nfs/dbraw/zinc/82/42/05/326824205.db2.gz XAHYNIONLQQPFX-OLZOCXBDSA-N 0 0 279.330 3.493 10 30 CGEERN CC(C)(C)OC(=O)N1C[C@H](C=O)C[C@H]1c1ccccc1 ZINC000095764193 327203150 /nfs/dbraw/zinc/20/31/50/327203150.db2.gz CAVGRVQPQJPMGF-OCCSQVGLSA-N 0 0 275.348 3.184 10 30 CGEERN N#CCCCCNC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000171732590 329079547 /nfs/dbraw/zinc/07/95/47/329079547.db2.gz VRRIMRNGLQHZPO-QWRGUYRKSA-N 0 0 291.317 3.101 10 30 CGEERN C[C@H]1C[C@H](C(=O)NCCCCC#N)CC(C)(C)C1 ZINC000180053367 329214764 /nfs/dbraw/zinc/21/47/64/329214764.db2.gz KMYDILGGFBUYKB-STQMWFEESA-N 0 0 250.386 3.259 10 30 CGEERN C=C(C)CN(C)C(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000181942917 329238493 /nfs/dbraw/zinc/23/84/93/329238493.db2.gz CKPHQQUOSKPSKR-UHFFFAOYSA-N 0 0 270.336 3.117 10 30 CGEERN C[C@H](C#N)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191681794 329416844 /nfs/dbraw/zinc/41/68/44/329416844.db2.gz VRVNNSALLUFNPM-MNOVXSKESA-N 0 0 250.292 3.056 10 30 CGEERN CC(C)[C@H]1[C@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)[C@H]1C=O ZINC000536956396 330383280 /nfs/dbraw/zinc/38/32/80/330383280.db2.gz ZDFWEZFWAIVZAW-BYNSBNAKSA-N 0 0 295.423 3.351 10 30 CGEERN C=CCC[C@H](NC(=O)N[C@H]1C[C@H]1C)c1ccccc1 ZINC000158010397 330813023 /nfs/dbraw/zinc/81/30/23/330813023.db2.gz IPVBLQGEGLFZAC-SNPRPXQTSA-N 0 0 258.365 3.402 10 30 CGEERN CC(C)CSCc1ccc(F)cc1C#CCCO ZINC000049623145 519769767 /nfs/dbraw/zinc/76/97/67/519769767.db2.gz SVGOLSDLDMLOGK-UHFFFAOYSA-N 0 0 266.381 3.449 10 30 CGEERN CCN[C@@H](C#N)CCOc1cccc2ccccc21 ZINC000062446823 520058283 /nfs/dbraw/zinc/05/82/83/520058283.db2.gz MQSCAQZCCSWXJI-CQSZACIVSA-N 0 0 254.333 3.110 10 30 CGEERN CCCCN(CC)c1cccc(Cl)c1/C(N)=N/O ZINC000052904064 520483317 /nfs/dbraw/zinc/48/33/17/520483317.db2.gz RWQOVWHVTCTFQZ-UHFFFAOYSA-N 0 0 269.776 3.061 10 30 CGEERN CN(Cc1cccs1)C(=O)[C@H](C#N)c1ccccc1 ZINC000061614477 523444762 /nfs/dbraw/zinc/44/47/62/523444762.db2.gz FRSFOYSSYDMPHJ-CQSZACIVSA-N 0 0 270.357 3.014 10 30 CGEERN COc1ccc(OC)c(N[C@@H]2CCCC[C@@H]2C#N)c1 ZINC000054823553 524870547 /nfs/dbraw/zinc/87/05/47/524870547.db2.gz YRHFBOVDDYETSN-DGCLKSJQSA-N 0 0 260.337 3.198 10 30 CGEERN Cc1cc(Nc2ccc3c(c2)OCCO3)c(C#N)c(C)n1 ZINC000156550987 525308256 /nfs/dbraw/zinc/30/82/56/525308256.db2.gz ULIZPSYFVILLPH-UHFFFAOYSA-N 0 0 281.315 3.085 10 30 CGEERN Cc1cc([C@H](C)NCc2cccnc2C#N)c(C)o1 ZINC000061658578 525523775 /nfs/dbraw/zinc/52/37/75/525523775.db2.gz OUDHDBAVWBLIOW-NSHDSACASA-N 0 0 255.321 3.014 10 30 CGEERN C[C@@H](N[C@H]1CCCC[C@@H]1C#N)c1ccc(C#N)cc1 ZINC000054825660 525674027 /nfs/dbraw/zinc/67/40/27/525674027.db2.gz VFPOTIPPFSEIAZ-WQVCFCJDSA-N 0 0 253.349 3.291 10 30 CGEERN C[C@@H](c1cccs1)N(C)c1ccc(N)cc1C#N ZINC000049727169 526146362 /nfs/dbraw/zinc/14/63/62/526146362.db2.gz GFUFYMJJFPVUQB-JTQLQIEISA-N 0 0 257.362 3.399 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NCc1ccc(F)c(Cl)c1 ZINC000054830013 526501255 /nfs/dbraw/zinc/50/12/55/526501255.db2.gz NQDORBMNWCTHIV-GXFFZTMASA-N 0 0 252.720 3.261 10 30 CGEERN N#Cc1ccc(CN[C@@H](Cc2ccccc2)C(F)(F)F)o1 ZINC000130028986 526624202 /nfs/dbraw/zinc/62/42/02/526624202.db2.gz XDLNPWFRIUVACJ-AWEZNQCLSA-N 0 0 294.276 3.414 10 30 CGEERN CC(C)(C)n1cc(NC(=O)C[C@@H]2CCCCNC2=O)cn1 ZINC000329454996 526925826 /nfs/dbraw/zinc/92/58/26/526925826.db2.gz PSNMWPGMWQCCLO-NSHDSACASA-N 0 0 292.383 3.373 10 30 CGEERN C=CCSCCNC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109094746 526998584 /nfs/dbraw/zinc/99/85/84/526998584.db2.gz KILOGECAENYBBB-VXGBXAGGSA-N 0 0 297.370 3.104 10 30 CGEERN CO[C@H](c1noc(-c2ccc(C#N)cc2C)n1)C1CC1 ZINC000234731057 536677206 /nfs/dbraw/zinc/67/72/06/536677206.db2.gz JYCDPQGXMOQTLN-ZDUSSCGKSA-N 0 0 269.304 3.014 10 30 CGEERN Cc1ccc2c(c1)ncc(C#N)c2NCc1nccs1 ZINC000223147842 622855325 /nfs/dbraw/zinc/85/53/25/622855325.db2.gz UOOWLGWUTNXYCQ-UHFFFAOYSA-N 0 0 280.356 3.484 10 30 CGEERN CC/C(=C\C(=O)N[C@H](C)C#N)c1cccc(Cl)c1 ZINC000174259356 623378938 /nfs/dbraw/zinc/37/89/38/623378938.db2.gz DKBLWOVWOWEMOH-MXBGMFSPSA-N 0 0 262.740 3.162 10 30 CGEERN C#C[C@H](C)OC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000174468013 623396790 /nfs/dbraw/zinc/39/67/90/623396790.db2.gz RWFFYQUSYJWJRZ-BIMULSAOSA-N 0 0 293.160 3.118 10 30 CGEERN C=CCC[C@@H](C)OC(=O)[C@H](NC(=O)CC(C)C)C(C)C ZINC000089317905 623705840 /nfs/dbraw/zinc/70/58/40/623705840.db2.gz OUNBHRGVOWLFOR-UKRRQHHQSA-N 0 0 283.412 3.071 10 30 CGEERN N#Cc1cc2c(nc1Cl)CC[C@H](C(F)(F)F)C2 ZINC000085126072 625796416 /nfs/dbraw/zinc/79/64/16/625796416.db2.gz OZQKBQKKHPCYOJ-QMMMGPOBSA-N 0 0 260.646 3.274 10 30 CGEERN C[C@@H](OC(=O)c1ccc(C#N)cc1)c1nc2ccccc2[nH]1 ZINC000102130770 634539251 /nfs/dbraw/zinc/53/92/51/634539251.db2.gz AYWOYWJDVTYCIB-LLVKDONJSA-N 0 0 291.310 3.353 10 30 CGEERN C=CCCC(=O)OCc1ccc(OCCC)c(OC)c1 ZINC000102219200 634634827 /nfs/dbraw/zinc/63/48/27/634634827.db2.gz DZESYRYBEVZAQI-UHFFFAOYSA-N 0 0 278.348 3.493 10 30 CGEERN CCO[C@H]1C[C@@H](OC(=O)c2ccc(C#N)cc2)C12CCCC2 ZINC000119744579 629705795 /nfs/dbraw/zinc/70/57/95/629705795.db2.gz HFOPJHLGPHFQLI-JKSUJKDBSA-N 0 0 299.370 3.453 10 30 CGEERN C=CCCOC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1 ZINC000103648059 630338968 /nfs/dbraw/zinc/33/89/68/630338968.db2.gz ZGOFGVGXGODTNE-BXUZGUMPSA-N 0 0 273.332 3.014 10 30 CGEERN CC(C)CCO[C@@H](C)C(=O)OCC#Cc1ccccc1 ZINC000103651270 630346936 /nfs/dbraw/zinc/34/69/36/630346936.db2.gz ONDXKGHHFIOHGQ-HNNXBMFYSA-N 0 0 274.360 3.033 10 30 CGEERN C#CC[C@@H](OC(=O)[C@H]1CC=CCC1)c1ccccn1 ZINC000105549194 635920603 /nfs/dbraw/zinc/92/06/03/635920603.db2.gz RBLXMEFWQADJDF-DZGCQCFKSA-N 0 0 255.317 3.046 10 30 CGEERN CCCCCCCCC(=O)N[C@H]1CCCC[C@H]1O ZINC000107059132 636424691 /nfs/dbraw/zinc/42/46/91/636424691.db2.gz RZWKOEYVMPVYHG-UONOGXRCSA-N 0 0 255.402 3.157 10 30 CGEERN CCCCCCCCC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000113739891 638274202 /nfs/dbraw/zinc/27/42/02/638274202.db2.gz IFZVJPHIOHCRND-GJZGRUSLSA-N 0 0 269.429 3.404 10 30 CGEERN C#CCOCCC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000159260193 640036907 /nfs/dbraw/zinc/03/69/07/640036907.db2.gz WDSWCLKFJVCTQX-CQSZACIVSA-N 0 0 281.355 3.057 10 30 CGEERN C#CCCCCNC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000159797212 640068783 /nfs/dbraw/zinc/06/87/83/640068783.db2.gz GRCSFLZZOKNEAT-NEPJUHHUSA-N 0 0 290.329 3.210 10 30 CGEERN C#C[C@H](OC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)C1CC1 ZINC000089490736 640647355 /nfs/dbraw/zinc/64/73/55/640647355.db2.gz FJMFTXJROMZZFN-KFWWJZLASA-N 0 0 274.747 3.399 10 30 CGEERN N#C[C@H](COC(=O)[C@H]1C[C@H]1C1CC1)Cc1ccc(F)cc1 ZINC000246100272 640657003 /nfs/dbraw/zinc/65/70/03/640657003.db2.gz IIFZATLSJPDJDY-KCXAZCMYSA-N 0 0 287.334 3.097 10 30 CGEERN C/C(=C\c1ccc(C)cc1)C(=O)O[C@H](C#N)C1CC1 ZINC000588402033 799688933 /nfs/dbraw/zinc/68/89/33/799688933.db2.gz YPAMFJFFHTVUSO-SAAWKEMMSA-N 0 0 255.317 3.244 10 30 CGEERN C/C=C(\CC)C(=O)OC[C@@H](C#N)Cc1ccccc1 ZINC000588569920 799714952 /nfs/dbraw/zinc/71/49/52/799714952.db2.gz FAJOHVCLYUMTII-RAXNWTSCSA-N 0 0 257.333 3.268 10 30 CGEERN COc1cc(/C=N\c2ccc(NC(C)=O)cc2)ccc1O ZINC000095935911 185034285 /nfs/dbraw/zinc/03/42/85/185034285.db2.gz HVTBCLPUDQAKQR-YVLHZVERSA-N 0 0 284.315 3.110 10 30 CGEERN N#C[C@H](NC(=O)c1ccccc1)SCc1ccccc1 ZINC000001725181 344856372 /nfs/dbraw/zinc/85/63/72/344856372.db2.gz KEOJVGCGKRBADL-OAHLLOKOSA-N 0 0 282.368 3.199 10 30 CGEERN Cc1cccc([S@](=O)c2cccc(F)c2C#N)c1 ZINC000034459402 344939765 /nfs/dbraw/zinc/93/97/65/344939765.db2.gz BOBIESRGIDGIPT-GOSISDBHSA-N 0 0 259.305 3.173 10 30 CGEERN N#Cc1ccc(NC(=O)CCSCc2ccco2)cc1 ZINC000034938834 344941139 /nfs/dbraw/zinc/94/11/39/344941139.db2.gz CMCRMYMKGBESDM-UHFFFAOYSA-N 0 0 286.356 3.413 10 30 CGEERN CCC(=O)[C@@H](C#N)c1cccc(Br)c1 ZINC000036765769 344945099 /nfs/dbraw/zinc/94/50/99/344945099.db2.gz JZPOJSVNUSDHOV-JTQLQIEISA-N 0 0 252.111 3.035 10 30 CGEERN CC[C@H](C#N)C(=O)c1cc(F)ccc1Br ZINC000036915909 344945464 /nfs/dbraw/zinc/94/54/64/344945464.db2.gz DOOMIZFIDZMZKZ-SSDOTTSWSA-N 0 0 270.101 3.321 10 30 CGEERN N#C[C@@H]1CCCC[C@H]1NCc1ccc(F)c(F)c1 ZINC000054827368 345139728 /nfs/dbraw/zinc/13/97/28/345139728.db2.gz GWMOINAUZALRRB-SMDDNHRTSA-N 0 0 250.292 3.137 10 30 CGEERN Cc1nnc(Oc2cccc(Cl)c2C#N)c(C#N)c1C ZINC000078591185 345615078 /nfs/dbraw/zinc/61/50/78/345615078.db2.gz YFNQXZVIGNYYIH-UHFFFAOYSA-N 0 0 284.706 3.283 10 30 CGEERN CCOC(=O)CC[C@H](C)Nc1cc(C#N)nc2ccccc21 ZINC000089656914 345772884 /nfs/dbraw/zinc/77/28/84/345772884.db2.gz RJSSILMHFPVZGA-LBPRGKRZSA-N 0 0 297.358 3.250 10 30 CGEERN CCCCCOc1ccc(/C=C(\C)C(=O)NO)cc1 ZINC000095818090 345900917 /nfs/dbraw/zinc/90/09/17/345900917.db2.gz NYOXUFIGYAMVOL-VAWYXSNFSA-N 0 0 263.337 3.164 10 30 CGEERN N#Cc1ccc(-c2cc(NC3CCCC3)nc(N)n2)cc1F ZINC000115838534 345973622 /nfs/dbraw/zinc/97/36/22/345973622.db2.gz YJZAFTLBYHQTIZ-UHFFFAOYSA-N 0 0 297.337 3.091 10 30 CGEERN Cc1ccc([C@H]2CC(=O)C=CO2)c(Br)c1 ZINC000129789417 346052923 /nfs/dbraw/zinc/05/29/23/346052923.db2.gz KYQKGCDFRSXWRG-GFCCVEGCSA-N 0 0 267.122 3.302 10 30 CGEERN COc1ccc(C(=O)C=C2C(=O)CC(C)(C)CC2O)cc1 ZINC000138061995 346095509 /nfs/dbraw/zinc/09/55/09/346095509.db2.gz QKFMRZRJBZFMLJ-UHFFFAOYSA-N 0 0 288.343 3.469 10 30 CGEERN C#CCNc1cc(Cl)c(C)cc1Br ZINC000131637052 346066607 /nfs/dbraw/zinc/06/66/07/346066607.db2.gz OPIHNASPLADDED-UHFFFAOYSA-N 0 0 258.546 3.456 10 30 CGEERN Cn1c2ccccc2c2c1cccc2OC[C@H]1CO1 ZINC000143017838 346112757 /nfs/dbraw/zinc/11/27/57/346112757.db2.gz JKYBQKVLLNCEDZ-LLVKDONJSA-N 0 0 253.301 3.109 10 30 CGEERN N#Cc1cccc(N[C@H]2CCC[C@H]3CCCC[C@@]32O)c1 ZINC000144575631 346118381 /nfs/dbraw/zinc/11/83/81/346118381.db2.gz BXUBNESVSIBJAM-HYVNUMGLSA-N 0 0 270.376 3.444 10 30 CGEERN C/C(=N\[S@@](=O)C(C)(C)C)c1cc([N+](=O)[O-])ccc1F ZINC000147503698 346126316 /nfs/dbraw/zinc/12/63/16/346126316.db2.gz KAEBKJXUYIZJGX-XOVNIXPASA-N 0 0 286.328 3.005 10 30 CGEERN N#Cc1cc([N+](=O)[O-])ccc1OCc1cccc(F)c1 ZINC000163782167 346181902 /nfs/dbraw/zinc/18/19/02/346181902.db2.gz AUIUPDQKTXZRFH-UHFFFAOYSA-N 0 0 272.235 3.185 10 30 CGEERN N#Cc1c(Br)cccc1NCC[C@H]1CCCO1 ZINC000168515950 346190202 /nfs/dbraw/zinc/19/02/02/346190202.db2.gz XSAJCCAWSWHEMH-SNVBAGLBSA-N 0 0 295.180 3.302 10 30 CGEERN C#CCCC(=O)c1cc(C)ccc1Br ZINC000168265506 346190747 /nfs/dbraw/zinc/19/07/47/346190747.db2.gz DTOYKSKWCFOWRC-UHFFFAOYSA-N 0 0 251.123 3.354 10 30 CGEERN CC(C)=CC(=O)c1cccc(I)c1 ZINC000169157345 346192056 /nfs/dbraw/zinc/19/20/56/346192056.db2.gz DQYAKQMTOFXJRQ-UHFFFAOYSA-N 0 0 286.112 3.440 10 30 CGEERN C[C@H](O)c1ccncc1-c1ccc(C#N)c(Cl)c1 ZINC000198457416 346279398 /nfs/dbraw/zinc/27/93/98/346279398.db2.gz BQMWDRWIPHMCTF-VIFPVBQESA-N 0 0 258.708 3.327 10 30 CGEERN C=CCOC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000211728481 346285994 /nfs/dbraw/zinc/28/59/94/346285994.db2.gz FNRUDBRBWAJMQF-AWEZNQCLSA-N 0 0 277.364 3.455 10 30 CGEERN CC(=O)c1ccc(C2(C#N)CCC(F)(F)CC2)cn1 ZINC000217348231 346291251 /nfs/dbraw/zinc/29/12/51/346291251.db2.gz QYJZSJJUWSDGNR-UHFFFAOYSA-N 0 0 264.275 3.255 10 30 CGEERN C[C@@H](CC#N)Nc1cc(F)ccc1Br ZINC000232247221 346325279 /nfs/dbraw/zinc/32/52/79/346325279.db2.gz FLVAPDCMBXWAJC-ZETCQYMHSA-N 0 0 257.106 3.302 10 30 CGEERN COc1cccc(C=Nc2cc(OC)ccc2OC)c1 ZINC000257351153 346399563 /nfs/dbraw/zinc/39/95/63/346399563.db2.gz CIJANDIMSDIUBC-UHFFFAOYSA-N 0 0 271.316 3.463 10 30 CGEERN C[C@H](N[C@@H]1CCCC[C@H]1C#N)c1ccc(C#N)cc1 ZINC000251788088 346390354 /nfs/dbraw/zinc/39/03/54/346390354.db2.gz VFPOTIPPFSEIAZ-VBNZEHGJSA-N 0 0 253.349 3.291 10 30 CGEERN CC[C@](C)(C#N)[C@@H](O)c1cscc1Br ZINC000306156874 346451183 /nfs/dbraw/zinc/45/11/83/346451183.db2.gz LKDKHAXYDVSKNQ-VHSXEESVSA-N 0 0 274.183 3.484 10 30 CGEERN C=C(C)CCNc1cc(Br)ccc1N ZINC000306678942 346456731 /nfs/dbraw/zinc/45/67/31/346456731.db2.gz ARTRRLRFZSCALF-UHFFFAOYSA-N 0 0 255.159 3.409 10 30 CGEERN C=CCSc1ncnc(Cl)c1Br ZINC000306829090 346458248 /nfs/dbraw/zinc/45/82/48/346458248.db2.gz GVPDHWBFLPSXIO-UHFFFAOYSA-N 0 0 265.563 3.171 10 30 CGEERN N#CCc1ccc(N)c(Br)c1C(F)(F)F ZINC000396057373 346578865 /nfs/dbraw/zinc/57/88/65/346578865.db2.gz UTGBPEWEYSOECE-UHFFFAOYSA-N 0 0 279.059 3.116 10 30 CGEERN N#CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1N ZINC000514262552 346636452 /nfs/dbraw/zinc/63/64/52/346636452.db2.gz HSVVUXHNARQXJH-UHFFFAOYSA-N 0 0 268.160 3.372 10 30 CGEERN N#C[C@H](c1ccc(F)c(F)c1)[C@@H](CCO)c1cncs1 ZINC000584639241 346702267 /nfs/dbraw/zinc/70/22/67/346702267.db2.gz HETLJHZKXQVTCW-GHMZBOCLSA-N 0 0 294.326 3.195 10 30 CGEERN Cc1c(N)c(C(F)(F)F)nn1[C@@H](C)c1ccc(C#N)cc1 ZINC000584599022 346689107 /nfs/dbraw/zinc/68/91/07/346689107.db2.gz IATLNOSCMQMBEJ-QMMMGPOBSA-N 0 0 294.280 3.274 10 30 CGEERN CCOP(=O)(OCC)[C@](C)(CC)C(C#N)C#N ZINC000584607637 346691296 /nfs/dbraw/zinc/69/12/96/346691296.db2.gz YITFYOMKBXSLQF-LLVKDONJSA-N 0 0 258.258 3.085 10 30 CGEERN CC1(CCC#CCCCCO[C@H]2CCCCO2)OCCO1 ZINC000584625789 346697064 /nfs/dbraw/zinc/69/70/64/346697064.db2.gz VAZGFDDSUPPYHC-MRXNPFEDSA-N 0 0 296.407 3.247 10 30 CGEERN C[C@@]1(O)C=CC(=O)[C@H](c2ccc(-c3ccccc3)cc2)O1 ZINC000584625877 346697072 /nfs/dbraw/zinc/69/70/72/346697072.db2.gz XIYKUJUSGRHODB-ROUUACIJSA-N 0 0 280.323 3.259 10 30 CGEERN N#C[C@@H]1CCCN(c2nc3ccnc(Cl)c3s2)C1 ZINC000584631789 346699163 /nfs/dbraw/zinc/69/91/63/346699163.db2.gz XALUJYXHHICFRO-QMMMGPOBSA-N 0 0 278.768 3.085 10 30 CGEERN OCCC#Cc1cc(F)cc(F)c1OCc1ccccc1 ZINC000584631206 346699223 /nfs/dbraw/zinc/69/92/23/346699223.db2.gz FZNPEIXIAFHZTC-UHFFFAOYSA-N 0 0 288.293 3.278 10 30 CGEERN Cc1ccc(CN2CCO[C@H]3CCCC[C@@H]32)cc1C#N ZINC000599264686 347730213 /nfs/dbraw/zinc/73/02/13/347730213.db2.gz PIYIHBVSHFSLRA-IRXDYDNUSA-N 0 0 270.376 3.010 10 30 CGEERN C[C@@H]1CCC[C@@H](C)C1(CC=O)NC(=O)OC(C)(C)C ZINC000616568536 348833790 /nfs/dbraw/zinc/83/37/90/348833790.db2.gz KBAITJOQTFJPLD-VXGBXAGGSA-N 0 0 269.385 3.295 10 30 CGEERN C[C@@H]1C[C@@H](C)CC(CC=O)(NC(=O)OC(C)(C)C)C1 ZINC000616568285 348833794 /nfs/dbraw/zinc/83/37/94/348833794.db2.gz IEWSKGGTOGMKRO-VXGBXAGGSA-N 0 0 269.385 3.295 10 30 CGEERN COC(=O)N1C[C@H](c2cccc(C#N)c2)Cc2ccccc21 ZINC000616669926 348861232 /nfs/dbraw/zinc/86/12/32/348861232.db2.gz KOOAPZLGELFDMV-MRXNPFEDSA-N 0 0 292.338 3.471 10 30 CGEERN N#Cc1ccc(N2CC[C@H](O)c3ccccc3C2)c(F)c1 ZINC000368227041 283167864 /nfs/dbraw/zinc/16/78/64/283167864.db2.gz YUGFHJBGFVLPDG-KRWDZBQOSA-N 0 0 282.318 3.141 10 30 CGEERN N#Cc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)nc1 ZINC000036797962 283183727 /nfs/dbraw/zinc/18/37/27/283183727.db2.gz ZOXNTGKRLXOSAA-UHFFFAOYSA-N 0 0 275.651 3.307 10 30 CGEERN CC(C)CCO[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000301583120 201080673 /nfs/dbraw/zinc/08/06/73/201080673.db2.gz QIQZKDAXCZUCTJ-AWEZNQCLSA-N 0 0 276.355 3.339 10 30 CGEERN CO[C@@H]1CCC[C@@H](Nc2nc(C(F)(F)F)ccc2C#N)C1 ZINC000301753866 201178626 /nfs/dbraw/zinc/17/86/26/201178626.db2.gz CCMXWULJMIREOO-GHMZBOCLSA-N 0 0 299.296 3.342 10 30 CGEERN Cc1cc(N2CC[C@H](C)C[C@@H](C)C2)c(C#N)c(C)n1 ZINC000301773010 201187985 /nfs/dbraw/zinc/18/79/85/201187985.db2.gz MDCASZKWACGPJY-NWDGAFQWSA-N 0 0 257.381 3.443 10 30 CGEERN COc1cccc(OCCNc2cc(C)nc(C)c2C#N)c1 ZINC000301794927 201202164 /nfs/dbraw/zinc/20/21/64/201202164.db2.gz SLLCUCZSYOLGRQ-UHFFFAOYSA-N 0 0 297.358 3.070 10 30 CGEERN C[C@@H](Cc1cccc(F)c1)Nc1cccc(C#N)n1 ZINC000301843979 201229711 /nfs/dbraw/zinc/22/97/11/201229711.db2.gz LGYSARMPTUCJQK-NSHDSACASA-N 0 0 255.296 3.135 10 30 CGEERN COc1cc(C#N)ccc1CN1CCCC[C@@H]1c1cn[nH]c1 ZINC000121416984 370859320 /nfs/dbraw/zinc/85/93/20/370859320.db2.gz OYIQXUWTZXPWRB-MRXNPFEDSA-N 0 0 296.374 3.017 10 30 CGEERN Cc1ccccc1N/C(=N/O)c1cccc([N+](=O)[O-])c1 ZINC000003083715 368490601 /nfs/dbraw/zinc/49/06/01/368490601.db2.gz JQSBQHFRPLZCBX-UHFFFAOYSA-N 0 0 271.276 3.151 10 30 CGEERN CC1=C2CCc3cc(Br)ccc3N2CCC1=O ZINC000013580660 368657754 /nfs/dbraw/zinc/65/77/54/368657754.db2.gz ONZNEFRNIRNYNO-UHFFFAOYSA-N 0 0 292.176 3.449 10 30 CGEERN C=C(Br)C[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000125094121 370931224 /nfs/dbraw/zinc/93/12/24/370931224.db2.gz PBSNWVBXEQQIEA-JTQLQIEISA-N 0 0 298.180 3.017 10 30 CGEERN Cc1c(CC#N)nc2c(OCc3ccccc3)cccn12 ZINC000026169333 368856824 /nfs/dbraw/zinc/85/68/24/368856824.db2.gz JHTDTNKCLICDGX-UHFFFAOYSA-N 0 0 277.327 3.288 10 30 CGEERN S=C1N=NC(c2ccccc2)N1N=C1CCCCC1 ZINC000048513439 369357246 /nfs/dbraw/zinc/35/72/46/369357246.db2.gz MVLDSPHZYRNLND-UHFFFAOYSA-N 0 0 272.377 3.402 10 30 CGEERN C[C@H](Nc1snc(Cl)c1C#N)c1ccco1 ZINC000048546177 369357978 /nfs/dbraw/zinc/35/79/78/369357978.db2.gz PIWSPLPFQJJVFL-LURJTMIESA-N 0 0 253.714 3.434 10 30 CGEERN C=CCNC(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000056941594 369529563 /nfs/dbraw/zinc/52/95/63/369529563.db2.gz HBGXWFPVPCBLDB-QMMMGPOBSA-N 0 0 256.708 3.025 10 30 CGEERN C[C@@H](Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCCO1 ZINC000061846009 369608339 /nfs/dbraw/zinc/60/83/39/369608339.db2.gz RVOUSZYVDVBCRB-RNCFNFMXSA-N 0 0 250.729 3.191 10 30 CGEERN N#C[C@H]1CCC[C@H]1NCc1c(F)cccc1Cl ZINC000061891370 369611132 /nfs/dbraw/zinc/61/11/32/369611132.db2.gz PSKCHBMLOXZOKU-NOZJJQNGSA-N 0 0 252.720 3.261 10 30 CGEERN N#Cc1ccc(NC2CCC(O)CC2)c(C(F)(F)F)c1 ZINC000077902561 369949060 /nfs/dbraw/zinc/94/90/60/369949060.db2.gz NRZIPEVLAWOGJU-UHFFFAOYSA-N 0 0 284.281 3.292 10 30 CGEERN CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@H]1C=O ZINC000098096016 370263828 /nfs/dbraw/zinc/26/38/28/370263828.db2.gz LLWDJVHCIKCLMB-NWDGAFQWSA-N 0 0 255.358 3.049 10 30 CGEERN C=CCCC(=O)Nc1nc(-c2ccccn2)cs1 ZINC000102216968 370300564 /nfs/dbraw/zinc/30/05/64/370300564.db2.gz TVDQVMHTMJFQHB-UHFFFAOYSA-N 0 0 259.334 3.110 10 30 CGEERN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](C)COC ZINC000103360530 370324288 /nfs/dbraw/zinc/32/42/88/370324288.db2.gz JCFJRSIJWWOJEG-SNVBAGLBSA-N 0 0 287.812 3.199 10 30 CGEERN CCCCCCCC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116114035 370549089 /nfs/dbraw/zinc/54/90/89/370549089.db2.gz FWHRQLABIIFIKF-CQSZACIVSA-N 0 0 277.412 3.097 10 30 CGEERN C=CCN(CC(F)(F)F)C(=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000117626797 370595515 /nfs/dbraw/zinc/59/55/15/370595515.db2.gz YDSQLYGLGXPVPX-GWCFXTLKSA-N 0 0 299.292 3.128 10 30 CGEERN C=CC[C@@H](C)NC(=O)N[C@H](C)c1ccc(OC)c(OC)c1 ZINC000116942580 370576530 /nfs/dbraw/zinc/57/65/30/370576530.db2.gz LGKVKMPNXOGSNX-VXGBXAGGSA-N 0 0 292.379 3.029 10 30 CGEERN COc1ccc(CCNc2cc(C)nc(C)c2C#N)cc1 ZINC000133747562 371277172 /nfs/dbraw/zinc/27/71/72/371277172.db2.gz GINGEWVCKKVTMG-UHFFFAOYSA-N 0 0 281.359 3.233 10 30 CGEERN Cc1ccc([C@@H]2CN(CCCC(C)(C)C#N)CCO2)o1 ZINC000158585212 372075105 /nfs/dbraw/zinc/07/51/05/372075105.db2.gz HCTDSLVYBFQPPD-HNNXBMFYSA-N 0 0 276.380 3.291 10 30 CGEERN CCC1CCC(Nc2nccc(C#N)c2[N+](=O)[O-])CC1 ZINC000167500412 372595731 /nfs/dbraw/zinc/59/57/31/372595731.db2.gz XEHCTFXZXKMXIV-UHFFFAOYSA-N 0 0 274.324 3.242 10 30 CGEERN COC(=O)c1ccc(CNc2ccc(Cl)cc2C#N)o1 ZINC000301246790 373711301 /nfs/dbraw/zinc/71/13/01/373711301.db2.gz BSJOMAMSANZARS-UHFFFAOYSA-N 0 0 290.706 3.203 10 30 CGEERN CC(C)(C)c1cn2nc(NCCCCC#N)sc2n1 ZINC000301174789 373683263 /nfs/dbraw/zinc/68/32/63/373683263.db2.gz FWHREUCHFFJCEM-UHFFFAOYSA-N 0 0 277.397 3.194 10 30 CGEERN C[C@@H](CC1CC1)NC(=O)Nc1ccc(F)cc1C#N ZINC000177900724 373724549 /nfs/dbraw/zinc/72/45/49/373724549.db2.gz NOHSMHGVYNCMSH-VIFPVBQESA-N 0 0 261.300 3.007 10 30 CGEERN Cc1ccc([C@H]2CN(Cc3cccc(C#N)c3)CCO2)o1 ZINC000179512526 373882690 /nfs/dbraw/zinc/88/26/90/373882690.db2.gz IXNGGBBZJRZKFI-QGZVFWFLSA-N 0 0 282.343 3.033 10 30 CGEERN C#C[C@](C)(CC)Nc1cncc(Br)c1 ZINC000306639186 374135483 /nfs/dbraw/zinc/13/54/83/374135483.db2.gz CYHCFDWKOCJMHP-LLVKDONJSA-N 0 0 253.143 3.058 10 30 CGEERN N#CC1(Cc2cc(F)cc(Br)c2)CC1 ZINC000307194734 374144603 /nfs/dbraw/zinc/14/46/03/374144603.db2.gz KGBNPCUYLDWLNR-UHFFFAOYSA-N 0 0 254.102 3.434 10 30 CGEERN Cc1ccc2c(c1)[C@@H](NC(=O)C1(C#N)CCCC1)[C@H](C)C2 ZINC000182192661 374232969 /nfs/dbraw/zinc/23/29/69/374232969.db2.gz BNIGLLSYXUXTMB-CJNGLKHVSA-N 0 0 282.387 3.429 10 30 CGEERN CO[C@@H](C)CC(=O)NC[C@H]1CCO[C@@H]1c1ccccc1 ZINC000328616043 374370111 /nfs/dbraw/zinc/37/01/11/374370111.db2.gz ZTPOJAVZWJRGAQ-JGGQBBKZSA-N 0 0 277.364 3.146 10 30 CGEERN CC(C)COc1ccc(NC(=O)N2C[C@@H]3CCC[C@@H]32)cn1 ZINC000329949381 374445038 /nfs/dbraw/zinc/44/50/38/374445038.db2.gz ZXNDCHXZRIUUHA-JSGCOSHPSA-N 0 0 289.379 3.146 10 30 CGEERN CCCC[C@H](C)Nc1cnn(-c2ncccc2C#N)c1 ZINC000186010795 374784531 /nfs/dbraw/zinc/78/45/31/374784531.db2.gz MFAIJIJXKCRWTK-LBPRGKRZSA-N 0 0 269.352 3.130 10 30 CGEERN C=CCN(C)C(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000187694696 375075342 /nfs/dbraw/zinc/07/53/42/375075342.db2.gz NGUXGKGVVLFWEZ-WFASDCNBSA-N 0 0 258.365 3.452 10 30 CGEERN Cc1c2ccccc2oc1C(=O)N[C@H]1CCC[C@H]1C#N ZINC000335831580 291613660 /nfs/dbraw/zinc/61/36/60/291613660.db2.gz QKNNZYTXPAQRIH-AAEUAGOBSA-N 0 0 268.316 3.163 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)c1csc2c1CCCC2 ZINC000335751973 375399242 /nfs/dbraw/zinc/39/92/42/375399242.db2.gz RTQRCWHSBADOFM-ZWNOBZJWSA-N 0 0 274.389 3.049 10 30 CGEERN Cc1ccc2c(c1C)C(=O)/C(=C\c1cc(C#N)n(C)c1)CO2 ZINC000191304950 375607815 /nfs/dbraw/zinc/60/78/15/375607815.db2.gz SQOZJRFMUBDUDZ-NSIKDUERSA-N 0 0 292.338 3.172 10 30 CGEERN CN(C(=O)N[C@@H]1CCC[C@H]1C#N)C1CCCCCC1 ZINC000336033209 375634743 /nfs/dbraw/zinc/63/47/43/375634743.db2.gz SICURXHDBMKNNM-GXTWGEPZSA-N 0 0 263.385 3.043 10 30 CGEERN CCO/C=C1/Cc2cc(Br)ccc2C1=O ZINC000127696439 542047933 /nfs/dbraw/zinc/04/79/33/542047933.db2.gz MVQGYWZRFXZITQ-CLFYSBASSA-N 0 0 267.122 3.108 10 30 CGEERN CN(C)/C=C(/C(=O)c1cccnc1)c1ccc(F)cc1 ZINC000216834712 376168609 /nfs/dbraw/zinc/16/86/09/376168609.db2.gz FYLIWJALONZEMX-RVDMUPIBSA-N 0 0 270.307 3.006 10 30 CGEERN COc1cccc(CCNc2cc(C)nc(C)c2C#N)c1 ZINC000227592132 376401886 /nfs/dbraw/zinc/40/18/86/376401886.db2.gz OBZZDVHOMIEKET-UHFFFAOYSA-N 0 0 281.359 3.233 10 30 CGEERN C[C@H](Nc1ccc(F)cc1C#N)c1cncc(F)c1 ZINC000235530806 376643691 /nfs/dbraw/zinc/64/36/91/376643691.db2.gz DWBACCVQAXDPRI-VIFPVBQESA-N 0 0 259.259 3.405 10 30 CGEERN C[C@@H]1CN(C(=O)NCc2ccc(C#N)cc2)[C@H]2CCCC[C@@H]12 ZINC000248408247 377311211 /nfs/dbraw/zinc/31/12/11/377311211.db2.gz BYZJYCFTVOKBOT-COXVUDFISA-N 0 0 297.402 3.278 10 30 CGEERN S=C(NN=Cc1ccncc1)Nc1ccc(Cl)cc1 ZINC000254800028 377712983 /nfs/dbraw/zinc/71/29/83/377712983.db2.gz OPRJWHATPNSRSF-UHFFFAOYSA-N 0 0 290.779 3.056 10 30 CGEERN COc1cc(F)c(F)cc1C(=O)C(F)(F)C(F)(F)F ZINC000575242889 377764946 /nfs/dbraw/zinc/76/49/46/377764946.db2.gz UFNHVQGNVWMXNU-UHFFFAOYSA-N 0 0 290.134 3.354 10 30 CGEERN CCOC(=O)c1cc(C#N)c(CC)c(C(F)(F)F)c1 ZINC000575389563 377897717 /nfs/dbraw/zinc/89/77/17/377897717.db2.gz JBNSQPDKLFGBDI-UHFFFAOYSA-N 0 0 271.238 3.316 10 30 CGEERN N#Cc1cc(CO)c(C(F)(F)F)c(C(F)(F)F)c1 ZINC000575341432 377881687 /nfs/dbraw/zinc/88/16/87/377881687.db2.gz XKXJSJDBGFJUME-UHFFFAOYSA-N 0 0 269.144 3.088 10 30 CGEERN COC(=O)c1cc(C#N)c(C(F)(F)F)cc1C(F)(F)F ZINC000575341310 377881868 /nfs/dbraw/zinc/88/18/68/377881868.db2.gz TUPULCLOVYWIKE-UHFFFAOYSA-N 0 0 297.154 3.382 10 30 CGEERN COC(=O)c1c(C(F)(F)F)cc(C#N)cc1C(F)(F)F ZINC000575341355 377882859 /nfs/dbraw/zinc/88/28/59/377882859.db2.gz UZJXWARPKKFNNY-UHFFFAOYSA-N 0 0 297.154 3.382 10 30 CGEERN CCOC(=O)Cc1ccc(CC)c(C(F)(F)F)c1C#N ZINC000575390183 377899148 /nfs/dbraw/zinc/89/91/48/377899148.db2.gz ZDBWZAYMFPUCSZ-UHFFFAOYSA-N 0 0 285.265 3.245 10 30 CGEERN CCOC(=O)c1ccc(C#N)c(Cl)c1OC(F)(F)F ZINC000575382852 377892676 /nfs/dbraw/zinc/89/26/76/377892676.db2.gz HHNLKDYRDJOSRC-UHFFFAOYSA-N 0 0 293.628 3.287 10 30 CGEERN CCOC(=O)c1cc(OC(F)(F)F)c(C#N)cc1Cl ZINC000575382825 377893053 /nfs/dbraw/zinc/89/30/53/377893053.db2.gz CKKXQPYDGCHGGI-UHFFFAOYSA-N 0 0 293.628 3.287 10 30 CGEERN CCOC(=O)Cc1c(Cl)ccc(C(F)(F)F)c1C#N ZINC000575383283 377893602 /nfs/dbraw/zinc/89/36/02/377893602.db2.gz NENPTBAILLTSPF-UHFFFAOYSA-N 0 0 291.656 3.336 10 30 CGEERN COC(=O)c1c(Cl)c(C#N)ccc1C(F)(F)F ZINC000575383478 377894002 /nfs/dbraw/zinc/89/40/02/377894002.db2.gz XBNYJEYAOPUUBT-UHFFFAOYSA-N 0 0 263.602 3.017 10 30 CGEERN CCOC(=O)c1cc(OC(F)F)cc(C#N)c1C(F)F ZINC000575385241 377894627 /nfs/dbraw/zinc/89/46/27/377894627.db2.gz FQSQFIYKVILMBR-UHFFFAOYSA-N 0 0 291.200 3.274 10 30 CGEERN COC(=O)Cc1c(C(F)F)cc(C#N)cc1C(F)(F)F ZINC000575387006 377894729 /nfs/dbraw/zinc/89/47/29/377894729.db2.gz BVTRIVYGKPHABD-UHFFFAOYSA-N 0 0 293.191 3.230 10 30 CGEERN CCOC(=O)c1cc(OC(F)(F)F)c(C#N)cc1CC ZINC000575388909 377896096 /nfs/dbraw/zinc/89/60/96/377896096.db2.gz KOOMMEWINCFEJE-UHFFFAOYSA-N 0 0 287.237 3.196 10 30 CGEERN CCOC(=O)c1c(C#N)ccc(CC)c1OC(F)(F)F ZINC000575388969 377896525 /nfs/dbraw/zinc/89/65/25/377896525.db2.gz NRTHCGYKAVGKNE-UHFFFAOYSA-N 0 0 287.237 3.196 10 30 CGEERN CCOC(=O)c1cc(F)c(SC(F)(F)F)cc1C#N ZINC000575390745 377899680 /nfs/dbraw/zinc/89/96/80/377899680.db2.gz XHEBXOWAJUWECI-UHFFFAOYSA-N 0 0 293.241 3.486 10 30 CGEERN CCOC(=O)Cc1cc(C#N)c(C(F)F)c(CC)c1 ZINC000575389410 377897476 /nfs/dbraw/zinc/89/74/76/377897476.db2.gz GNXBCHUXMLPRLN-UHFFFAOYSA-N 0 0 267.275 3.164 10 30 CGEERN CCOc1cc(CC#N)cc(OCC)c1OC(F)F ZINC000575647398 377927360 /nfs/dbraw/zinc/92/73/60/377927360.db2.gz FSLLSUSDWALQMY-UHFFFAOYSA-N 0 0 271.263 3.151 10 30 CGEERN CCOc1ccc(CC)c(CC#N)c1OC(F)F ZINC000575655685 377933029 /nfs/dbraw/zinc/93/30/29/377933029.db2.gz LUUYBQXAMAHEKD-UHFFFAOYSA-N 0 0 255.264 3.315 10 30 CGEERN Cc1cc(C#N)cc(C(F)(F)F)c1OC(F)F ZINC000575665142 377941772 /nfs/dbraw/zinc/94/17/72/377941772.db2.gz PWCIEHQBHIFSDP-UHFFFAOYSA-N 0 0 251.154 3.487 10 30 CGEERN N#CCc1cc(OC(F)F)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575666878 377944256 /nfs/dbraw/zinc/94/42/56/377944256.db2.gz MGYBVUGASZLSAD-UHFFFAOYSA-N 0 0 296.151 3.281 10 30 CGEERN N#CCc1ccc(OC(F)F)c(F)c1Br ZINC000575679909 377953550 /nfs/dbraw/zinc/95/35/50/377953550.db2.gz FXGGXJWCFQKHOB-UHFFFAOYSA-N 0 0 280.043 3.256 10 30 CGEERN C#C[C@@H](C)Nc1cc(C)cc(I)c1 ZINC000575488653 377915295 /nfs/dbraw/zinc/91/52/95/377915295.db2.gz PLSQYJDYBJIEIM-SECBINFHSA-N 0 0 285.128 3.033 10 30 CGEERN N#CCc1c(Br)ccc([N+](=O)[O-])c1C(F)F ZINC000575684379 377959177 /nfs/dbraw/zinc/95/91/77/377959177.db2.gz GCCCUCZPKOYQQZ-UHFFFAOYSA-N 0 0 291.051 3.361 10 30 CGEERN N#Cc1c(F)c(Br)ccc1OC(F)(F)F ZINC000575689309 377964133 /nfs/dbraw/zinc/96/41/33/377964133.db2.gz BGULYRRWPAGVOF-UHFFFAOYSA-N 0 0 284.006 3.358 10 30 CGEERN N#Cc1cc(OC(F)(F)F)cc(F)c1Br ZINC000575689553 377964437 /nfs/dbraw/zinc/96/44/37/377964437.db2.gz RPQYVUYUXXJDDT-UHFFFAOYSA-N 0 0 284.006 3.358 10 30 CGEERN N#CCc1cc(O)c(Br)cc1C(F)(F)F ZINC000575689878 377965439 /nfs/dbraw/zinc/96/54/39/377965439.db2.gz JYKAGNXCRFWNND-UHFFFAOYSA-N 0 0 280.043 3.240 10 30 CGEERN N#CCc1cc(Br)c(O)cc1OC(F)(F)F ZINC000575689845 377965449 /nfs/dbraw/zinc/96/54/49/377965449.db2.gz IKZHTPYDWMECIC-UHFFFAOYSA-N 0 0 296.042 3.119 10 30 CGEERN N#CCc1c(Br)cc(O)cc1OC(F)(F)F ZINC000575690898 377966701 /nfs/dbraw/zinc/96/67/01/377966701.db2.gz DUUSZNOWACNLQQ-UHFFFAOYSA-N 0 0 296.042 3.119 10 30 CGEERN N#Cc1c(Cl)c(Cl)ccc1I ZINC000575693725 377968057 /nfs/dbraw/zinc/96/80/57/377968057.db2.gz BYMSXWZWDBSHFA-UHFFFAOYSA-N 0 0 297.910 3.470 10 30 CGEERN N#Cc1c(Cl)c(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000575696681 377970128 /nfs/dbraw/zinc/97/01/28/377970128.db2.gz YPGCIUDMQJZDQY-UHFFFAOYSA-N 0 0 250.563 3.139 10 30 CGEERN CCOc1cc(OC)c(CC#N)c(C(F)(F)F)c1 ZINC000575698566 377971710 /nfs/dbraw/zinc/97/17/10/377971710.db2.gz YCYGFJASQSXUGE-UHFFFAOYSA-N 0 0 259.227 3.179 10 30 CGEERN Oc1ccc(F)c(OC(F)(F)F)c1C(F)(F)F ZINC000575705299 377978297 /nfs/dbraw/zinc/97/82/97/377978297.db2.gz WFNBYLOLYJRUCZ-UHFFFAOYSA-N 0 0 264.096 3.449 10 30 CGEERN Cc1cc(C#N)cc(N2CCC(c3nccs3)CC2)n1 ZINC000367975648 382361864 /nfs/dbraw/zinc/36/18/64/382361864.db2.gz ZPXXIIBQVXKGRA-UHFFFAOYSA-N 0 0 284.388 3.102 10 30 CGEERN CSc1ccc(Cl)c(C(=O)N[C@H]2CCC[C@H]2C#N)c1 ZINC000334639393 532964269 /nfs/dbraw/zinc/96/42/69/532964269.db2.gz DBSKBWVXOFCTHL-ZANVPECISA-N 0 0 294.807 3.484 10 30 CGEERN C#CCCCC(=O)N1CCC[C@H](c2nc(CC)cs2)C1 ZINC000192112156 533007223 /nfs/dbraw/zinc/00/72/23/533007223.db2.gz CURBDCVJANDJIL-ZDUSSCGKSA-N 0 0 290.432 3.215 10 30 CGEERN Cc1cc(=O)[nH]c2cc(C(=O)N[C@@H]3CCC[C@H]3C#N)ccc12 ZINC000329657046 542447375 /nfs/dbraw/zinc/44/73/75/542447375.db2.gz GPTXKSNRKUMEGR-GXTWGEPZSA-N 0 0 295.342 3.246 10 30 CGEERN C[C@H](NC(=O)c1coc(C2CCCC2)n1)[C@H]1CCCO1 ZINC000328787884 542445266 /nfs/dbraw/zinc/44/52/66/542445266.db2.gz JSYKAOCNXUGXDY-GXFFZTMASA-N 0 0 278.352 3.204 10 30 CGEERN C[C@@H]1OCC[C@@H]1NC(=O)Nc1cccc2ccsc21 ZINC000328911809 542445292 /nfs/dbraw/zinc/44/52/92/542445292.db2.gz GURXZHGAYVTCCM-ONGXEEELSA-N 0 0 276.361 3.405 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)N[C@H]1CCCCC12CCCC2 ZINC000332909907 542451745 /nfs/dbraw/zinc/45/17/45/542451745.db2.gz XDWNAPGEWHBMEN-ZNMIVQPWSA-N 0 0 289.423 3.481 10 30 CGEERN Cc1ccsc1C=NN1C(=S)N=NC1c1ccco1 ZINC000001246985 169693023 /nfs/dbraw/zinc/69/30/23/169693023.db2.gz XEZRVVOHNWTUAE-QPEQYQDCSA-N 0 0 290.373 3.079 10 30 CGEERN C=CC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000247557378 131104838 /nfs/dbraw/zinc/10/48/38/131104838.db2.gz UFBKPUJFEZZWKB-ZMLRMANQSA-N 0 0 265.303 3.149 10 30 CGEERN C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1ccc(C#N)cc1 ZINC000117564031 392391621 /nfs/dbraw/zinc/39/16/21/392391621.db2.gz URXIQBXSZDIMDV-MEDUHNTESA-N 0 0 278.311 3.061 10 30 CGEERN Fc1ccc(C#CCN2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000121786552 392415899 /nfs/dbraw/zinc/41/58/99/392415899.db2.gz PDCMAASNQDDRGV-QGZVFWFLSA-N 0 0 283.350 3.128 10 30 CGEERN N#Cc1ccc(CN2CCO[C@H]3CCCC[C@@H]32)c(Cl)c1 ZINC000162894475 392600661 /nfs/dbraw/zinc/60/06/61/392600661.db2.gz AINIGKWPNVOHGP-HOTGVXAUSA-N 0 0 290.794 3.355 10 30 CGEERN CC(C)c1ccc([C@H](C)NC(=O)NC[C@@H](C)C#N)cc1 ZINC000182345861 392744784 /nfs/dbraw/zinc/74/47/84/392744784.db2.gz GAMYOIVTIHANEB-STQMWFEESA-N 0 0 273.380 3.330 10 30 CGEERN C[C@@]1(c2ccc(Br)s2)CC[C@@H](C=O)O1 ZINC000306214537 397677046 /nfs/dbraw/zinc/67/70/46/397677046.db2.gz YXFKHTPOHRSNMN-XVKPBYJWSA-N 0 0 275.167 3.104 10 30 CGEERN C=CC[C@]1(C(=O)OCC)CCCCN1C(=O)OC(C)(C)C ZINC000606241604 397714597 /nfs/dbraw/zinc/71/45/97/397714597.db2.gz CIJLMTWZPMPZHX-MRXNPFEDSA-N 0 0 297.395 3.285 10 30 CGEERN COC(=O)CC1([C@@H]2CO2)CC(C)(C)CC(C)(C)C1 ZINC000675053643 543311861 /nfs/dbraw/zinc/31/18/61/543311861.db2.gz PPXMGUFDPBXFJH-NSHDSACASA-N 0 0 254.370 3.171 10 30 CGEERN CC(N=Nc1ccccc1[N+](=O)[O-])c1cccc(N)c1 ZINC000005260659 170081019 /nfs/dbraw/zinc/08/10/19/170081019.db2.gz VTQGHCYAHADMSQ-MHWRWJLKSA-N 0 0 270.292 3.013 10 30 CGEERN CC#C[C@@H](n1nnc2ccccc21)C1(OC)CCCCC1 ZINC000005283261 170082447 /nfs/dbraw/zinc/08/24/47/170082447.db2.gz NGZUEKBFHMYHKK-MRXNPFEDSA-N 0 0 283.375 3.345 10 30 CGEERN C=C[C@@H]([C@H](O)c1ccc(C)cc1)n1nc2ccccc2n1 ZINC000005416648 170096385 /nfs/dbraw/zinc/09/63/85/170096385.db2.gz HWKWPDMESBOERX-DLBZAZTESA-N 0 0 279.343 3.200 10 30 CGEERN CNC(=S)N=NCc1c(Cl)ccc(Cl)c1Cl ZINC000006228516 170183981 /nfs/dbraw/zinc/18/39/81/170183981.db2.gz IFFJQTOGVCOLBL-LNKIKWGQSA-N 0 0 296.610 3.486 10 30 CGEERN N#CCOc1ccc(/C=C/C(=O)c2ccccc2)cc1 ZINC000007904320 170307005 /nfs/dbraw/zinc/30/70/05/170307005.db2.gz QDZAWQPZJXTHIX-DHZHZOJOSA-N 0 0 263.296 3.485 10 30 CGEERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1ccc[nH]1 ZINC000008155976 170321870 /nfs/dbraw/zinc/32/18/70/170321870.db2.gz QUKUCZPDXJKYDN-REZTVBANSA-N 0 0 298.224 3.388 10 30 CGEERN C[C@@H]1CCC[C@@H](C)N1CC(=O)c1ccc(C#N)cc1 ZINC000009998161 170394501 /nfs/dbraw/zinc/39/45/01/170394501.db2.gz QOUVFMDJMJRGDT-CHWSQXEVSA-N 0 0 256.349 3.004 10 30 CGEERN CC(=O)Nc1ccc(/C=N/N2[C@H](C)CCC[C@@H]2C)cc1 ZINC000012614065 170500549 /nfs/dbraw/zinc/50/05/49/170500549.db2.gz ANKWRWPTZIYQHN-XOBNLNEMSA-N 0 0 273.380 3.242 10 30 CGEERN N#Cc1ccc(C(=O)Nc2nc3ccc(N)cc3s2)cc1 ZINC000019256823 170759858 /nfs/dbraw/zinc/75/98/58/170759858.db2.gz KMGHLMBFRSOEBK-UHFFFAOYSA-N 0 0 294.339 3.002 10 30 CGEERN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Oc1cc(/C(N)=N/O)ccn1 ZINC000019808287 170877440 /nfs/dbraw/zinc/87/74/40/170877440.db2.gz DTZXKEQFGDKPPE-BNOWGMLFSA-N 0 0 291.395 3.016 10 30 CGEERN N/C(=N\O)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000019866037 170899779 /nfs/dbraw/zinc/89/97/79/170899779.db2.gz SKASKBPVVFFLNF-UHFFFAOYSA-N 0 0 262.696 3.227 10 30 CGEERN C=CCn1c(COC)nnc1SCc1ccc(C)cc1 ZINC000020425888 171191918 /nfs/dbraw/zinc/19/19/18/171191918.db2.gz IUGUUOPOTXYRJE-UHFFFAOYSA-N 0 0 289.404 3.211 10 30 CGEERN CC[C@@H](C)N[C@@H](C#N)c1cc2c(c(Cl)c1)OCO2 ZINC000038064462 174075419 /nfs/dbraw/zinc/07/54/19/174075419.db2.gz OIHZKPZIUGAGJI-KCJUWKMLSA-N 0 0 266.728 3.021 10 30 CGEERN N#Cc1nc(-c2ccccc2[N+](=O)[O-])oc1NC1CCCC1 ZINC000040373810 174249026 /nfs/dbraw/zinc/24/90/26/174249026.db2.gz UOTJJTDVMLTXEI-UHFFFAOYSA-N 0 0 298.302 3.476 10 30 CGEERN CCCCCCC/C=C\C(=O)C#CC#CCCCO ZINC000043393618 175035292 /nfs/dbraw/zinc/03/52/92/175035292.db2.gz VYVJXCAVXZCPDB-KAMYIIQDSA-N 0 0 260.377 3.252 10 30 CGEERN CC[C@H](C)SCc1ccc(F)cc1C#CCO ZINC000049622367 175495395 /nfs/dbraw/zinc/49/53/95/175495395.db2.gz WNHPMJUEKHLOBG-NSHDSACASA-N 0 0 252.354 3.201 10 30 CGEERN COC(=O)c1cc(-c2ccc(O)c(C#N)c2)ccc1Cl ZINC000065341675 175711883 /nfs/dbraw/zinc/71/18/83/175711883.db2.gz UVNHGJIPRVUYNF-UHFFFAOYSA-N 0 0 287.702 3.371 10 30 CGEERN Cc1nc(CNC(=O)C[C@H]2CCCCNC2=O)sc1C ZINC000329278498 227403245 /nfs/dbraw/zinc/40/32/45/227403245.db2.gz LGWFTLVYBFLPHZ-LLVKDONJSA-N 0 0 295.408 3.363 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)N(CC1CC1)CC1CCC1 ZINC000329973923 228004038 /nfs/dbraw/zinc/00/40/38/228004038.db2.gz XBKZDGGQZIFGHD-LSDHHAIUSA-N 0 0 275.396 3.105 10 30 CGEERN C[C@@H]1C[C@H](C(=O)NC[C@H](CO)[C@@H]2CCOC2)CC(C)(C)C1 ZINC000330066826 228031678 /nfs/dbraw/zinc/03/16/78/228031678.db2.gz FBQIYCSELNXXKC-APIJFGDWSA-N 0 0 297.439 3.050 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)NC[C@@H]1C[C@H]1C1CCCCC1 ZINC000333659772 228209162 /nfs/dbraw/zinc/20/91/62/228209162.db2.gz WEQVFEDLBHVFJU-YHUYYLMFSA-N 0 0 289.423 3.194 10 30 CGEERN N#C[C@H]1CCC[C@@H]1Nc1ncnc2sc3c(c21)CCC3 ZINC000408330159 260799082 /nfs/dbraw/zinc/79/90/82/260799082.db2.gz QLSNFASTDURSTD-KOLCDFICSA-N 0 0 284.388 3.284 10 30 CGEERN C=C(C)[C@H](NC(=O)[C@H]1CC[C@H](C)O1)c1ccc(F)c(F)c1 ZINC000249368537 261249930 /nfs/dbraw/zinc/24/99/30/261249930.db2.gz VUFRZHWLIXNCAI-VQISRLSMSA-N 0 0 295.329 3.266 10 30 CGEERN Cc1ccc2oc(C(=O)N[C@H]3CCC[C@H]3C#N)cc2c1 ZINC000061888262 262404657 /nfs/dbraw/zinc/40/46/57/262404657.db2.gz VCXPPZIAJCHZLV-AAEUAGOBSA-N 0 0 268.316 3.163 10 30 CGEERN Cc1ccc2snc(C(=O)N[C@H]3CCC[C@@H]3C#N)c2c1 ZINC000328917511 263902149 /nfs/dbraw/zinc/90/21/49/263902149.db2.gz RTWYAFTUOBQFHQ-PWSUYJOCSA-N 0 0 285.372 3.027 10 30 CGEERN C=CCC[C@H](NCc1nnc(C)n1CC)c1ccccc1 ZINC000180036693 264390337 /nfs/dbraw/zinc/39/03/37/264390337.db2.gz MWPLSWOIIXQZOW-INIZCTEOSA-N 0 0 284.407 3.404 10 30 CGEERN CCC[C@H]1C[C@H]1Nc1c(C#N)nnc2ccccc21 ZINC000231661922 287642916 /nfs/dbraw/zinc/64/29/16/287642916.db2.gz WAVCMIIDNFUALA-GXFFZTMASA-N 0 0 252.321 3.102 10 30 CGEERN CC(C)CC1(C(=O)N[C@H]2CCC[C@H]2C#N)CCCC1 ZINC000094817893 265257792 /nfs/dbraw/zinc/25/77/92/265257792.db2.gz BVGOMWZWPRYKKH-KBPBESRZSA-N 0 0 262.397 3.401 10 30 CGEERN C=CC[C@H](C)[C@H](C)Nc1cnn(-c2ncccc2C#N)c1 ZINC000186001027 265634827 /nfs/dbraw/zinc/63/48/27/265634827.db2.gz CYMNLKRWQHMLNU-STQMWFEESA-N 0 0 281.363 3.152 10 30 CGEERN C#C[C@@H](C)NC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000186069697 277701193 /nfs/dbraw/zinc/70/11/93/277701193.db2.gz IWFRZYDRRHBSJR-HIFRSBDPSA-N 0 0 298.386 3.144 10 30 CGEERN CC(C)[C@H]1CCO[C@H]1C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000329237821 280403387 /nfs/dbraw/zinc/40/33/87/280403387.db2.gz KPFHIBOWNUWEPQ-NXEZZACHSA-N 0 0 297.424 3.485 10 30 CGEERN C[C@@H]1SCCN(c2ccc(F)cc2C#N)[C@H]1C ZINC000078292231 288947066 /nfs/dbraw/zinc/94/70/66/288947066.db2.gz DBEMMAWGZVRVBK-UWVGGRQHSA-N 0 0 250.342 3.028 10 30 CGEERN O=C(C#Cc1ccccc1)N1CCCC[C@@H]1c1nccs1 ZINC000176217392 295411608 /nfs/dbraw/zinc/41/16/08/295411608.db2.gz LIXIATYNDZYNRH-OAHLLOKOSA-N 0 0 296.395 3.248 10 30 CGEERN C[C@@H]1C[C@@H](C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)CCO1 ZINC000329282813 297193278 /nfs/dbraw/zinc/19/32/78/297193278.db2.gz NUIPJZLXAUFWES-GFQSEFKGSA-N 0 0 296.411 3.292 10 30 CGEERN O=C(N[C@@H]1CCO[C@@H]1c1ccccc1)C1CCC(=O)CC1 ZINC000330007796 304621754 /nfs/dbraw/zinc/62/17/54/304621754.db2.gz DWJKZHDJVXACDV-HZPDHXFCSA-N 0 0 287.359 3.232 10 30 CGEERN N#Cc1ccc(Cl)cc1N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000227373448 303192006 /nfs/dbraw/zinc/19/20/06/303192006.db2.gz LPSUOMXJXNMSNA-XJKSGUPXSA-N 0 0 290.794 3.343 10 30 CGEERN C=CCCCC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000175665524 329167719 /nfs/dbraw/zinc/16/77/19/329167719.db2.gz UAANTDAPEYEODW-LBPRGKRZSA-N 0 0 264.394 3.205 10 30 CGEERN Cc1ccc(C(=O)N[C@H]2CCC[C@H]2C#N)c(Cl)c1 ZINC000235870938 329683617 /nfs/dbraw/zinc/68/36/17/329683617.db2.gz CRLRDTZHSOVCPW-GWCFXTLKSA-N 0 0 262.740 3.071 10 30 CGEERN C=C(C)C[C@H](C)C(=O)N1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000248696836 329897346 /nfs/dbraw/zinc/89/73/46/329897346.db2.gz DJKXICSNDBLKDE-SOUVJXGZSA-N 0 0 291.391 3.296 10 30 CGEERN C=CC[C@H](C)[C@H](C)N[C@@H](C(=O)OC)c1ccccc1 ZINC000250101060 333302309 /nfs/dbraw/zinc/30/23/09/333302309.db2.gz RJYCCWFGERXWLS-KCQAQPDRSA-N 0 0 261.365 3.091 10 30 CGEERN C[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@@H]2C#N)CC12CCC2 ZINC000329553839 533908855 /nfs/dbraw/zinc/90/88/55/533908855.db2.gz BCIRPZCINSOKBQ-MGPQQGTHSA-N 0 0 275.396 3.105 10 30 CGEERN Cc1noc(C)c1-c1noc([C@]2(C#N)CC23CCCC3)n1 ZINC000333223497 534316993 /nfs/dbraw/zinc/31/69/93/534316993.db2.gz MRMQQGDIPBMGLF-OAHLLOKOSA-N 0 0 284.319 3.067 10 30 CGEERN CC(C)C[C@H](C#N)C(=O)c1cc(F)c(F)c(F)c1 ZINC000063007273 519290433 /nfs/dbraw/zinc/29/04/33/519290433.db2.gz HQGQXGQBDCHTKW-SECBINFHSA-N 0 0 255.239 3.472 10 30 CGEERN Cc1cnc(-c2noc([C@]3(C#N)CC34CCCC4)n2)s1 ZINC000333233138 534522526 /nfs/dbraw/zinc/52/25/26/534522526.db2.gz OPUNAMOXRAEZHF-CQSZACIVSA-N 0 0 286.360 3.227 10 30 CGEERN COc1cc(OC)cc(Oc2cc(C)nc(C)c2C#N)c1 ZINC000156603815 522875011 /nfs/dbraw/zinc/87/50/11/522875011.db2.gz NMUHDUQLNXPTCP-UHFFFAOYSA-N 0 0 284.315 3.380 10 30 CGEERN COc1ccc(C[C@@H](C#N)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000057754776 524129330 /nfs/dbraw/zinc/12/93/30/524129330.db2.gz SENVQYOKXAKQPG-AWEZNQCLSA-N 0 0 282.299 3.453 10 30 CGEERN C[C@@H]1CCCC[C@@H]1Oc1cccc(Cl)c1/C(N)=N/O ZINC000052906804 524151373 /nfs/dbraw/zinc/15/13/73/524151373.db2.gz YFSWFRDBASMBTB-KOLCDFICSA-N 0 0 282.771 3.392 10 30 CGEERN COc1ccc(OC)c(N[C@H]2CCCC[C@H]2C#N)c1 ZINC000054823556 524871339 /nfs/dbraw/zinc/87/13/39/524871339.db2.gz YRHFBOVDDYETSN-AAEUAGOBSA-N 0 0 260.337 3.198 10 30 CGEERN C[C@H](NC(=O)[C@H](C#N)c1ccccc1)c1cccs1 ZINC000061614490 525161370 /nfs/dbraw/zinc/16/13/70/525161370.db2.gz HGMVZWRFKBAPLW-WCQYABFASA-N 0 0 270.357 3.233 10 30 CGEERN Cc1cc(NC[C@@]2(C)CCCS2)c(C#N)c(C)n1 ZINC000157464764 525274684 /nfs/dbraw/zinc/27/46/84/525274684.db2.gz OLUMXFOSIQGNGF-CQSZACIVSA-N 0 0 261.394 3.268 10 30 CGEERN Cc1cc([C@@H](C)NCc2cccnc2C#N)c(C)o1 ZINC000061658577 525469650 /nfs/dbraw/zinc/46/96/50/525469650.db2.gz OUDHDBAVWBLIOW-LLVKDONJSA-N 0 0 255.321 3.014 10 30 CGEERN C[C@@H]1[C@@H](C)CCCN1c1ccc(/C(N)=N/O)cc1Cl ZINC000062794708 525644556 /nfs/dbraw/zinc/64/45/56/525644556.db2.gz YKBJFGJVDXCPTC-VHSXEESVSA-N 0 0 281.787 3.059 10 30 CGEERN C[C@H]1CCCC[C@H]1Oc1cccc(Cl)c1/C(N)=N/O ZINC000052906809 526262953 /nfs/dbraw/zinc/26/29/53/526262953.db2.gz YFSWFRDBASMBTB-GXSJLCMTSA-N 0 0 282.771 3.392 10 30 CGEERN N#Cc1ccc(Cl)cc1NCc1ccc(N)cc1 ZINC000062785944 526635704 /nfs/dbraw/zinc/63/57/04/526635704.db2.gz GRCRIUACKBCRRX-UHFFFAOYSA-N 0 0 257.724 3.406 10 30 CGEERN CC(C)(C)c1ncc(NC(=O)N2CC[C@@H]3CCC[C@H]32)cn1 ZINC000330281486 526881040 /nfs/dbraw/zinc/88/10/40/526881040.db2.gz USVQJJMIWKZXQN-WCQYABFASA-N 0 0 288.395 3.194 10 30 CGEERN Cc1nc(Cl)cc(N(CCC#N)c2ccccc2)n1 ZINC000052835470 526933687 /nfs/dbraw/zinc/93/36/87/526933687.db2.gz IFQXFPYUVSKITB-UHFFFAOYSA-N 0 0 272.739 3.490 10 30 CGEERN CCC[C@@H]1C[C@@H]1NC(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000330205049 527817865 /nfs/dbraw/zinc/81/78/65/527817865.db2.gz DBQRNLWVRPEXEH-RDBSUJKOSA-N 0 0 280.412 3.170 10 30 CGEERN CCC1(c2ccccc2)CN(C(=O)N[C@H]2CCC[C@@H]2C#N)C1 ZINC000333625779 527818206 /nfs/dbraw/zinc/81/82/06/527818206.db2.gz QGXPNYGLFPDCDG-ZBFHGGJFSA-N 0 0 297.402 3.052 10 30 CGEERN COc1ccc(O)c(/C=N\[C@@H]2CCOc3ccccc32)c1 ZINC000255373809 618242559 /nfs/dbraw/zinc/24/25/59/618242559.db2.gz ITJCGDREHBORGN-JQFNYASXSA-N 0 0 283.327 3.344 10 30 CGEERN C[C@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)C1CCOCC1 ZINC000180081654 624713711 /nfs/dbraw/zinc/71/37/11/624713711.db2.gz HOYNPNTZTZEZMQ-ZDUSSCGKSA-N 0 0 299.370 3.214 10 30 CGEERN C#CCOc1ccc(F)cc1NCc1cccc(C)c1O ZINC000180884768 624781076 /nfs/dbraw/zinc/78/10/76/624781076.db2.gz ALZMAFWHXPUTIJ-UHFFFAOYSA-N 0 0 285.318 3.464 10 30 CGEERN C[C@@H](O)c1nc2ccccc2n1Cc1ccc(C#N)cc1 ZINC000076080663 625038339 /nfs/dbraw/zinc/03/83/39/625038339.db2.gz YOSLQIBCYBVUKU-GFCCVEGCSA-N 0 0 277.327 3.010 10 30 CGEERN Cc1cc(C(=O)N[C@H](C)C#N)c(C)n1[C@@H](C)c1ccccc1 ZINC000125408960 634697922 /nfs/dbraw/zinc/69/79/22/634697922.db2.gz QFBOUOUKCHKRKN-OCCSQVGLSA-N 0 0 295.386 3.356 10 30 CGEERN C=CCCC(=O)O[C@H]1C[C@H](OCC)C12CCCC2 ZINC000119614342 629669255 /nfs/dbraw/zinc/66/92/55/629669255.db2.gz PVVKNCHSHMKGFK-STQMWFEESA-N 0 0 252.354 3.234 10 30 CGEERN C=CCCOC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C)c1 ZINC000103648056 630338811 /nfs/dbraw/zinc/33/88/11/630338811.db2.gz ZGOFGVGXGODTNE-FZMZJTMJSA-N 0 0 273.332 3.014 10 30 CGEERN CCCCCCCCCC(=O)N1C[C@H](C(=O)OC)[C@H](C)C1 ZINC000128966927 636105337 /nfs/dbraw/zinc/10/53/37/636105337.db2.gz WENTXOVEBIETKN-CABCVRRESA-N 0 0 297.439 3.395 10 30 CGEERN COc1ccc(O)cc1C(=O)/C=C\c1ccsc1 ZINC000588409737 799690221 /nfs/dbraw/zinc/69/02/21/799690221.db2.gz UAMXCFGVXXMJPH-RQOWECAXSA-N 0 0 260.314 3.358 10 30 CGEERN C/C=C(\CC)C(=O)OC[C@H](C#N)Cc1ccc(F)cc1 ZINC000588570352 799714621 /nfs/dbraw/zinc/71/46/21/799714621.db2.gz RFMKSLFQTCGSNN-WMDOLHMFSA-N 0 0 275.323 3.407 10 30 CGEERN Cc1c(C(=O)/C=C\c2cocn2)cnn1-c1ccc(F)cc1 ZINC000588578483 799716085 /nfs/dbraw/zinc/71/60/85/799716085.db2.gz JJNRQSFOVVPTJU-DAXSKMNVSA-N 0 0 297.289 3.204 10 30 CGEERN C=CC[C@@H](c1ccccc1)C(C(=O)OCC)C(=O)OCC ZINC000096675564 185109672 /nfs/dbraw/zinc/10/96/72/185109672.db2.gz WATBVLMOQZAUNW-AWEZNQCLSA-N 0 0 290.359 3.089 10 30 CGEERN N#C[C@@H](NC(=O)c1ccccc1)SCc1ccccc1 ZINC000006096487 344863988 /nfs/dbraw/zinc/86/39/88/344863988.db2.gz KEOJVGCGKRBADL-HNNXBMFYSA-N 0 0 282.368 3.199 10 30 CGEERN Cc1ccc(S(=O)(=O)[C@@H](C#N)c2ccccc2)cc1 ZINC000022015506 344893747 /nfs/dbraw/zinc/89/37/47/344893747.db2.gz CVPNVSHNHQJGLP-HNNXBMFYSA-N 0 0 271.341 3.034 10 30 CGEERN CC[C@@H](C)[C@](C#N)(CCN1CCOCC1)c1ccccc1 ZINC000031554826 344926768 /nfs/dbraw/zinc/92/67/68/344926768.db2.gz KUSPAVYMGQSRFN-SJLPKXTDSA-N 0 0 286.419 3.216 10 30 CGEERN COc1ccc(C#Cc2ccc(C)cc2)cc1OC ZINC000039260063 344958822 /nfs/dbraw/zinc/95/88/22/344958822.db2.gz IUBGVROOBRGUII-UHFFFAOYSA-N 0 0 252.313 3.412 10 30 CGEERN CC(C)[C@@H](C#N)C(=O)c1ccc(Br)o1 ZINC000041045649 344967106 /nfs/dbraw/zinc/96/71/06/344967106.db2.gz ZLBWHDJNRFYAPF-SSDOTTSWSA-N 0 0 256.099 3.021 10 30 CGEERN O=C1CCc2c(/N=C/c3ccccc3)cccc2N1 ZINC000034398028 344939049 /nfs/dbraw/zinc/93/90/49/344939049.db2.gz WZTMGWIAMUEMPG-GZTJUZNOSA-N 0 0 250.301 3.322 10 30 CGEERN C=CCc1c(C)c(C)cc(C(=O)N(CC)CC)c1O ZINC000034459573 344939816 /nfs/dbraw/zinc/93/98/16/344939816.db2.gz QGAPBJNCTUBBLL-UHFFFAOYSA-N 0 0 261.365 3.220 10 30 CGEERN C[C@H](C#N)N[C@H](C)c1cccc(Br)c1 ZINC000043515101 344999943 /nfs/dbraw/zinc/99/99/43/344999943.db2.gz JZFQCBRSLFCRLF-RKDXNWHRSA-N 0 0 253.143 3.012 10 30 CGEERN CC[C@H](C#N)Nc1ccc(Br)cc1C ZINC000043539143 345000090 /nfs/dbraw/zinc/00/00/90/345000090.db2.gz OGKVTGWWWNXJRB-SNVBAGLBSA-N 0 0 253.143 3.472 10 30 CGEERN CC[C@@H](C#N)Sc1ccc(Br)cc1N ZINC000043542958 345000908 /nfs/dbraw/zinc/00/09/08/345000908.db2.gz MMKWUCPICSBDHQ-QMMMGPOBSA-N 0 0 271.183 3.426 10 30 CGEERN C=C(C)[C@@H]1COC([C@H](C)[C@H](C)C2=N[C@H](C(=C)C)CO2)=N1 ZINC000048547114 345067502 /nfs/dbraw/zinc/06/75/02/345067502.db2.gz LNFGJDBAWVODMB-CRWXNKLISA-N 0 0 276.380 3.005 10 30 CGEERN N#C[C@@H]1CCO[C@H]1c1cccc(Br)c1 ZINC000070672354 345392358 /nfs/dbraw/zinc/39/23/58/345392358.db2.gz OWTOTXOKDMBYOK-ONGXEEELSA-N 0 0 252.111 3.050 10 30 CGEERN CN(OCc1ccccc1)c1cccc(F)c1C#N ZINC000092826195 345860087 /nfs/dbraw/zinc/86/00/87/345860087.db2.gz IYQFXSPMGRQLLL-UHFFFAOYSA-N 0 0 256.280 3.265 10 30 CGEERN C#CCNc1nc(-c2ccccc2[O-])nc2ccc(F)cc21 ZINC000115195888 345969456 /nfs/dbraw/zinc/96/94/56/345969456.db2.gz LFLZAKUJHKPYIP-UHFFFAOYSA-N 0 0 293.301 3.187 10 30 CGEERN Cc1ccc(C(=O)[C@@H](C)CC#N)c(Br)c1 ZINC000129677174 346051339 /nfs/dbraw/zinc/05/13/39/346051339.db2.gz ULYDYCFIZVUNQD-VIFPVBQESA-N 0 0 266.138 3.490 10 30 CGEERN N#Cc1cnc2cnc(F)cc2c1Nc1ccccc1 ZINC000140878340 346106053 /nfs/dbraw/zinc/10/60/53/346106053.db2.gz KONGNJQVNXHVMN-UHFFFAOYSA-N 0 0 264.263 3.384 10 30 CGEERN CC(C)(CO)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000145304887 346120070 /nfs/dbraw/zinc/12/00/70/346120070.db2.gz CYPXSVIFAHWLDN-UHFFFAOYSA-N 0 0 272.266 3.345 10 30 CGEERN CC#CCC(=O)c1cccc(Br)c1C ZINC000167889251 346189461 /nfs/dbraw/zinc/18/94/61/346189461.db2.gz JDAAUZDQLPVJQM-UHFFFAOYSA-N 0 0 251.123 3.354 10 30 CGEERN C=C(Br)CNc1c(N)cccc1Cl ZINC000168183046 346189712 /nfs/dbraw/zinc/18/97/12/346189712.db2.gz IAUCHYQZYJSYHD-UHFFFAOYSA-N 0 0 261.550 3.243 10 30 CGEERN Cc1cc(C(=O)C2=CCCO2)sc1Br ZINC000168363004 346190625 /nfs/dbraw/zinc/19/06/25/346190625.db2.gz ULUXMLLXCQVQLT-UHFFFAOYSA-N 0 0 273.151 3.306 10 30 CGEERN CCCC(=O)Nc1ccc([N+](=O)[O-])cc1C#CC1CC1 ZINC000202692025 346280652 /nfs/dbraw/zinc/28/06/52/346280652.db2.gz LZXLKZPMVXNQLY-UHFFFAOYSA-N 0 0 272.304 3.095 10 30 CGEERN CCCCOC(=O)CSCCCC1=CCCC1=O ZINC000223761197 346301428 /nfs/dbraw/zinc/30/14/28/346301428.db2.gz MHVDYYYSFLZILD-UHFFFAOYSA-N 0 0 270.394 3.132 10 30 CGEERN C[C@H](C#N)Nc1cccc(Cl)c1Br ZINC000235262570 346334464 /nfs/dbraw/zinc/33/44/64/346334464.db2.gz NXDPMVCJUKPHRX-ZCFIWIBFSA-N 0 0 259.534 3.426 10 30 CGEERN Cc1c(Br)cccc1N[C@H](C)CC#N ZINC000232241537 346325389 /nfs/dbraw/zinc/32/53/89/346325389.db2.gz MEKGEJXZEDUMHJ-MRVPVSSYSA-N 0 0 253.143 3.472 10 30 CGEERN C#C[C@H](C)Nc1ccc(C)c(I)c1 ZINC000301008949 346439396 /nfs/dbraw/zinc/43/93/96/346439396.db2.gz ZUDBFLNLCZQTAX-VIFPVBQESA-N 0 0 285.128 3.033 10 30 CGEERN C[C@@H](Nc1ncncc1C#N)c1cccc(Cl)c1 ZINC000302537618 346441179 /nfs/dbraw/zinc/44/11/79/346441179.db2.gz HORWGXBDBGVVNH-SECBINFHSA-N 0 0 258.712 3.175 10 30 CGEERN C=C([C@@H](O)c1ccoc1Br)C(F)(F)F ZINC000306502459 346454588 /nfs/dbraw/zinc/45/45/88/346454588.db2.gz SXNUKSZQRDRNNQ-ZCFIWIBFSA-N 0 0 271.032 3.194 10 30 CGEERN Cc1ccc([C@H]2N=C(C=C=Cc3ccccc3)C(=O)O2)cc1 ZINC000100136419 185706656 /nfs/dbraw/zinc/70/66/56/185706656.db2.gz CCPZAJSACYIKHG-GONKEYIRSA-N 0 0 289.334 3.076 10 30 CGEERN C#CCn1nc(-c2cccs2)c2c1CCSC2 ZINC000409441110 346606064 /nfs/dbraw/zinc/60/60/64/346606064.db2.gz WIWGJCTUIZUASR-UHFFFAOYSA-N 0 0 260.387 3.034 10 30 CGEERN N#Cc1cc(C=O)c(C(F)(F)F)cc1C(F)(F)F ZINC000514279349 346637985 /nfs/dbraw/zinc/63/79/85/346637985.db2.gz NVXBHLXZQDPLNX-UHFFFAOYSA-N 0 0 267.128 3.408 10 30 CGEERN N#C[C@H](c1cncs1)[C@H](CCO)c1c(F)cccc1F ZINC000584639371 346702087 /nfs/dbraw/zinc/70/20/87/346702087.db2.gz WNOVWMLFSCYNGP-UWVGGRQHSA-N 0 0 294.326 3.195 10 30 CGEERN CNC(=S)NC(=Nc1cccc(C)c1)c1ccccc1 ZINC000584594947 346686845 /nfs/dbraw/zinc/68/68/45/346686845.db2.gz GPEIXJBQFZOTFW-UHFFFAOYSA-N 0 0 283.400 3.167 10 30 CGEERN CCOC(=O)[C@](CCC#N)(c1ccccc1)N(CC)CC ZINC000584595226 346686927 /nfs/dbraw/zinc/68/69/27/346686927.db2.gz AVVXBZXKOZTAMM-KRWDZBQOSA-N 0 0 288.391 3.091 10 30 CGEERN COc1cccc(Oc2cc(N)c(F)cc2C#N)c1 ZINC000584599737 346688909 /nfs/dbraw/zinc/68/89/09/346688909.db2.gz WSLVCIJXIXJVRI-UHFFFAOYSA-N 0 0 258.252 3.080 10 30 CGEERN C=CCNc1cc(-c2ccccc2)ccc1C(N)=O ZINC000584611845 346692509 /nfs/dbraw/zinc/69/25/09/346692509.db2.gz NEBYTHQOMOGEFY-UHFFFAOYSA-N 0 0 252.317 3.050 10 30 CGEERN N#Cc1cc(-c2ccc(C(F)(F)F)nc2)c(F)cn1 ZINC000584613230 346693058 /nfs/dbraw/zinc/69/30/58/346693058.db2.gz RAFNXCFHDBOGRJ-UHFFFAOYSA-N 0 0 267.185 3.173 10 30 CGEERN Cc1c(C(N)=O)[nH]c2c1cc(C#N)cc2-c1ccc(F)cc1 ZINC000584618385 346694424 /nfs/dbraw/zinc/69/44/24/346694424.db2.gz HKGHELXZMLZMHF-UHFFFAOYSA-N 0 0 293.301 3.253 10 30 CGEERN N#Cc1cc2cc(C(N)=O)[nH]c2c(-c2ccc(Cl)cc2)c1 ZINC000584618932 346695011 /nfs/dbraw/zinc/69/50/11/346695011.db2.gz YJTOSGZUXDFAMT-UHFFFAOYSA-N 0 0 295.729 3.459 10 30 CGEERN Cc1ccc([C@]2(c3ccccc3)O[C@@H](O)C=CC2=O)cc1C ZINC000584625150 346697127 /nfs/dbraw/zinc/69/71/27/346697127.db2.gz FQQWASWHHBRYPZ-MOPGFXCFSA-N 0 0 294.350 3.021 10 30 CGEERN N#C[C@H](c1nccs1)[C@@H](CCO)c1c(F)cccc1F ZINC000584630356 346698642 /nfs/dbraw/zinc/69/86/42/346698642.db2.gz QVPCOYKXBNMBRP-ZJUUUORDSA-N 0 0 294.326 3.195 10 30 CGEERN CCCCCCCNc1cccc(S(N)(=O)=O)c1C ZINC000103034222 185804179 /nfs/dbraw/zinc/80/41/79/185804179.db2.gz NWDSVKQPELGXJK-UHFFFAOYSA-N 0 0 284.425 3.025 10 30 CGEERN C=CCn1c(N)c(-c2cc(C)cc(C)c2)nc1CC ZINC000103501568 185845861 /nfs/dbraw/zinc/84/58/61/185845861.db2.gz LIJFHZZSNGFATE-UHFFFAOYSA-N 0 0 255.365 3.498 10 30 CGEERN C[C@H](CC(=O)Nc1ccc(N)cc1C#N)C(C)(C)C ZINC000104434014 186000474 /nfs/dbraw/zinc/00/04/74/186000474.db2.gz NJFNKSDWEPZRQX-SNVBAGLBSA-N 0 0 259.353 3.151 10 30 CGEERN N#Cc1ccc(C(=O)CCc2ccccc2O)cc1 ZINC000140209752 187907859 /nfs/dbraw/zinc/90/78/59/187907859.db2.gz JQOFUYHDIHWQMY-UHFFFAOYSA-N 0 0 251.285 3.079 10 30 CGEERN C=C[C@H](CC(=O)N[C@@H](C)[C@H]1CCCO1)c1ccccc1 ZINC000152878665 188049954 /nfs/dbraw/zinc/04/99/54/188049954.db2.gz JSUVABADYOLRBW-SQWLQELKSA-N 0 0 273.376 3.030 10 30 CGEERN N#Cc1cc(F)ccc1N1CC[C@@H](O)c2ccccc2C1 ZINC000368218789 234291698 /nfs/dbraw/zinc/29/16/98/234291698.db2.gz IYYXONBXURRGHT-QGZVFWFLSA-N 0 0 282.318 3.141 10 30 CGEERN CC[S@](=O)[C@@H]1CCC[C@H](Nc2ccc(F)cc2C#N)C1 ZINC000301592937 201084867 /nfs/dbraw/zinc/08/48/67/201084867.db2.gz XYCYUFRWPIPKNK-MNVSYLFESA-N 0 0 294.395 3.189 10 30 CGEERN Cn1c(Cl)c(Cl)cc1CNc1cccc(C#N)n1 ZINC000301659778 201120694 /nfs/dbraw/zinc/12/06/94/201120694.db2.gz TZHILUUCZCOYGK-UHFFFAOYSA-N 0 0 281.146 3.211 10 30 CGEERN Cc1cc(NCCCOCc2ccco2)c(C#N)c(C)n1 ZINC000301773755 201188416 /nfs/dbraw/zinc/18/84/16/201188416.db2.gz KHEHURJEHIVIKP-UHFFFAOYSA-N 0 0 285.347 3.182 10 30 CGEERN CC#CCNC(=O)[C@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000121470652 370864634 /nfs/dbraw/zinc/86/46/34/370864634.db2.gz OZPJUJFWMRZPHL-HOTGVXAUSA-N 0 0 255.361 3.053 10 30 CGEERN C=CCOc1ccc2cccc(CCNC(=O)C3CC3)c2c1 ZINC000013781762 368667522 /nfs/dbraw/zinc/66/75/22/368667522.db2.gz QEELXYJQMPPMBU-UHFFFAOYSA-N 0 0 295.382 3.473 10 30 CGEERN CCCN(CCC)c1c([N+](=O)[O-])cc(C#N)cc1[N+](=O)[O-] ZINC000013648907 368659837 /nfs/dbraw/zinc/65/98/37/368659837.db2.gz ZXNFBRXUWSUFFD-UHFFFAOYSA-N 0 0 292.295 3.001 10 30 CGEERN CCCCCCCC(=O)N1CCC(Cn2cccn2)CC1 ZINC000126087191 370942592 /nfs/dbraw/zinc/94/25/92/370942592.db2.gz WXMBPZDYJVAMBG-UHFFFAOYSA-N 0 0 291.439 3.482 10 30 CGEERN CC[C@@]1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O ZINC000028095109 368881076 /nfs/dbraw/zinc/88/10/76/368881076.db2.gz JZBRJAYYIUVRPT-INIZCTEOSA-N 0 0 256.301 3.142 10 30 CGEERN Nc1ccc(C#Cc2ccc(OCCOCCF)cc2)cc1 ZINC000028643512 368888005 /nfs/dbraw/zinc/88/80/05/368888005.db2.gz IVFBTENOJXIHHT-UHFFFAOYSA-N 0 0 299.345 3.034 10 30 CGEERN N#C[C@@H](C(=O)C1CC1)c1cccc(Br)c1 ZINC000036765767 369026993 /nfs/dbraw/zinc/02/69/93/369026993.db2.gz WHKSSBNYIUMPAD-LLVKDONJSA-N 0 0 264.122 3.035 10 30 CGEERN C/C(=N/NC(=S)Nc1ccc(C)cc1)c1ccc(O)cc1 ZINC000056689560 369527353 /nfs/dbraw/zinc/52/73/53/369527353.db2.gz HGEXVPFUCWSBEN-PDGQHHTCSA-N 0 0 299.399 3.411 10 30 CGEERN N#C[C@H]1CCC[C@H]1NCc1ccc(C(F)(F)F)cc1 ZINC000061626782 369603806 /nfs/dbraw/zinc/60/38/06/369603806.db2.gz GAVXMSFENQKSKF-DGCLKSJQSA-N 0 0 268.282 3.487 10 30 CGEERN N#Cc1ccc(C(=O)N2CCC[C@H]2c2ccco2)cc1 ZINC000116046981 370545479 /nfs/dbraw/zinc/54/54/79/370545479.db2.gz RCLXPUZKKJFXRW-AWEZNQCLSA-N 0 0 266.300 3.129 10 30 CGEERN N#Cc1ccc(NC(=O)N2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000115171444 370524679 /nfs/dbraw/zinc/52/46/79/370524679.db2.gz YRJWWCQAIPLSHP-HNNXBMFYSA-N 0 0 295.346 3.040 10 30 CGEERN Cc1nc(N2CCCC[C@@H]2c2nccs2)ccc1C#N ZINC000291634129 372171214 /nfs/dbraw/zinc/17/12/14/372171214.db2.gz LQXBAWVDHPYTEI-CYBMUJFWSA-N 0 0 284.388 3.450 10 30 CGEERN C=CC[C@@H](CO)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000302449954 373868897 /nfs/dbraw/zinc/86/88/97/373868897.db2.gz SRKFWEHTDSQJDJ-ZETCQYMHSA-N 0 0 291.134 3.251 10 30 CGEERN CC[C@@H]1CCCCN1C(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000328705359 374376751 /nfs/dbraw/zinc/37/67/51/374376751.db2.gz PFEGUGOAOVHMJT-OLZOCXBDSA-N 0 0 293.411 3.207 10 30 CGEERN CC[C@@H]1[C@H](C)CCN1C(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000328762479 374380521 /nfs/dbraw/zinc/38/05/21/374380521.db2.gz ZESYPEHGIDWPQW-UPJWGTAASA-N 0 0 293.411 3.062 10 30 CGEERN C[C@@H]1C[C@H](CNC(=O)C[C@H]2CCCCC(=O)N2)CCO1 ZINC000328777447 374382767 /nfs/dbraw/zinc/38/27/67/374382767.db2.gz IKLWLDCDTFHJHG-JHJVBQTASA-N 0 0 282.384 3.047 10 30 CGEERN CCC[C@@H]1C[C@H]1Nc1nnc(CC)c(CC)c1C#N ZINC000229734614 376470621 /nfs/dbraw/zinc/47/06/21/376470621.db2.gz QQFRVDQDGQHZHB-QMTHXVAHSA-N 0 0 258.369 3.074 10 30 CGEERN C[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(C#N)n2)CC1 ZINC000235654430 376645887 /nfs/dbraw/zinc/64/58/87/376645887.db2.gz FFEHUWDBWNXWFB-QWRGUYRKSA-N 0 0 274.324 3.242 10 30 CGEERN COc1ccc(C=Nc2cccc(C#N)c2)cc1OC ZINC000254397819 377705767 /nfs/dbraw/zinc/70/57/67/377705767.db2.gz IWRCBOFWUKFOTK-UHFFFAOYSA-N 0 0 266.300 3.326 10 30 CGEERN CCOC(=O)Cc1cc(CC)cc(C(F)F)c1C#N ZINC000575389387 377897664 /nfs/dbraw/zinc/89/76/64/377897664.db2.gz FKKGWBVNENAKMA-UHFFFAOYSA-N 0 0 267.275 3.164 10 30 CGEERN COC(=O)c1cc(F)cc(C#N)c1SC(F)(F)F ZINC000575390717 377899957 /nfs/dbraw/zinc/89/99/57/377899957.db2.gz TZYFMPJBIMDEGC-UHFFFAOYSA-N 0 0 279.214 3.096 10 30 CGEERN COC(=O)c1ccc(C(F)F)c(C#N)c1C(F)(F)F ZINC000575343930 377883538 /nfs/dbraw/zinc/88/35/38/377883538.db2.gz JVAHBPNXSYLSSZ-UHFFFAOYSA-N 0 0 279.164 3.301 10 30 CGEERN COC(=O)c1cc(C#N)cc(OC(F)(F)F)c1C(F)F ZINC000575344206 377883721 /nfs/dbraw/zinc/88/37/21/377883721.db2.gz VEXSCYNXQFHMCK-UHFFFAOYSA-N 0 0 295.163 3.181 10 30 CGEERN CCOC(=O)c1c(Cl)cc(C(F)(F)F)cc1C#N ZINC000575383215 377893727 /nfs/dbraw/zinc/89/37/27/377893727.db2.gz JJJQAKFFRUONKW-UHFFFAOYSA-N 0 0 277.629 3.407 10 30 CGEERN COC(=O)c1cc(C#N)cc(Cl)c1C(F)(F)F ZINC000575383024 377893915 /nfs/dbraw/zinc/89/39/15/377893915.db2.gz ARBIRGPVWAUUIH-UHFFFAOYSA-N 0 0 263.602 3.017 10 30 CGEERN COC(=O)c1ccc(C#N)c(C(F)(F)F)c1Cl ZINC000575383036 377893938 /nfs/dbraw/zinc/89/39/38/377893938.db2.gz BFMLQVUUDBONKN-UHFFFAOYSA-N 0 0 263.602 3.017 10 30 CGEERN COC(=O)c1cc(C#N)c(C(F)(F)F)cc1Cl ZINC000575383497 377893999 /nfs/dbraw/zinc/89/39/99/377893999.db2.gz XSURWVLJJIDLMB-UHFFFAOYSA-N 0 0 263.602 3.017 10 30 CGEERN CCOC(=O)Cc1cc(C#N)cc(Cl)c1C(F)(F)F ZINC000575383107 377894052 /nfs/dbraw/zinc/89/40/52/377894052.db2.gz HLGUWIBKXKGDAP-UHFFFAOYSA-N 0 0 291.656 3.336 10 30 CGEERN CCOC(=O)c1ccc(C(F)F)c(OC(F)F)c1C#N ZINC000575385211 377895351 /nfs/dbraw/zinc/89/53/51/377895351.db2.gz CTSADNHMFOUDGD-UHFFFAOYSA-N 0 0 291.200 3.274 10 30 CGEERN CCOC(=O)c1c(CC)ccc(C#N)c1OC(F)(F)F ZINC000575389019 377896075 /nfs/dbraw/zinc/89/60/75/377896075.db2.gz QVHUKAKHSDPYOL-UHFFFAOYSA-N 0 0 287.237 3.196 10 30 CGEERN CCOC(=O)c1cc(C#N)c(OC(F)(F)F)c(CC)c1 ZINC000575388879 377896165 /nfs/dbraw/zinc/89/61/65/377896165.db2.gz HKHLBLIANVEFHW-UHFFFAOYSA-N 0 0 287.237 3.196 10 30 CGEERN CCOC(=O)Cc1c(C#N)ccc(C(F)(F)F)c1CC ZINC000575389297 377896355 /nfs/dbraw/zinc/89/63/55/377896355.db2.gz FUAZURRYQBJAAJ-UHFFFAOYSA-N 0 0 285.265 3.245 10 30 CGEERN CCOC(=O)Cc1c(C(F)(F)F)ccc(C#N)c1CC ZINC000575389284 377896373 /nfs/dbraw/zinc/89/63/73/377896373.db2.gz FEKSEROOYDQEKU-UHFFFAOYSA-N 0 0 285.265 3.245 10 30 CGEERN CCOC(=O)c1c(C#N)c(O)ccc1SC(F)(F)F ZINC000575392365 377899940 /nfs/dbraw/zinc/89/99/40/377899940.db2.gz WEEOIPCLJCVWFF-UHFFFAOYSA-N 0 0 291.250 3.052 10 30 CGEERN N#Cc1cc(F)cc(OC(F)F)c1OC(F)(F)F ZINC000575660539 377937299 /nfs/dbraw/zinc/93/72/99/377937299.db2.gz RJXNIIWDBQZNPN-UHFFFAOYSA-N 0 0 271.116 3.197 10 30 CGEERN N#CCc1c(O)cc(C(F)(F)F)cc1OC(F)F ZINC000575661467 377938392 /nfs/dbraw/zinc/93/83/92/377938392.db2.gz GSPQJJFTXDGKFP-UHFFFAOYSA-N 0 0 267.153 3.078 10 30 CGEERN COc1cc(C(F)(F)F)c(OC(F)F)cc1CC#N ZINC000575664091 377939432 /nfs/dbraw/zinc/93/94/32/377939432.db2.gz BJMPCJITTVXIKV-UHFFFAOYSA-N 0 0 281.180 3.381 10 30 CGEERN Cc1c(C#N)cc(OC(F)(F)F)cc1OC(F)F ZINC000575664141 377939598 /nfs/dbraw/zinc/93/95/98/377939598.db2.gz BMYDGONPUXHISM-UHFFFAOYSA-N 0 0 267.153 3.367 10 30 CGEERN N#CCc1c(C(F)(F)F)ccc(OC(F)F)c1[N+](=O)[O-] ZINC000575666247 377943413 /nfs/dbraw/zinc/94/34/13/377943413.db2.gz JSAAUAJLSFCSOV-UHFFFAOYSA-N 0 0 296.151 3.281 10 30 CGEERN N#Cc1cc(OC(F)F)c(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000575668588 377946383 /nfs/dbraw/zinc/94/63/83/377946383.db2.gz VUMDSWURBTYZJA-UHFFFAOYSA-N 0 0 282.124 3.087 10 30 CGEERN CCOC(=O)c1cc(OCC)c(C(F)(F)F)cc1C#N ZINC000575671581 377947250 /nfs/dbraw/zinc/94/72/50/377947250.db2.gz VBJXMDWVKPRXCN-UHFFFAOYSA-N 0 0 287.237 3.152 10 30 CGEERN CCOc1cc(CC)c(C#N)cc1OC(F)(F)F ZINC000575672109 377948601 /nfs/dbraw/zinc/94/86/01/377948601.db2.gz VZXVMCOIZBPDAD-UHFFFAOYSA-N 0 0 259.227 3.418 10 30 CGEERN COc1cc(CC#N)cc(Br)c1Cl ZINC000575673935 377949780 /nfs/dbraw/zinc/94/97/80/377949780.db2.gz JQDVCXPRZBDGFK-UHFFFAOYSA-N 0 0 260.518 3.177 10 30 CGEERN CCOC(=O)c1cc(C)cc(C(F)(F)F)c1C#N ZINC000575395260 377902290 /nfs/dbraw/zinc/90/22/90/377902290.db2.gz VCHQICQEACPHBO-UHFFFAOYSA-N 0 0 257.211 3.062 10 30 CGEERN C[C@H](C#N)Nc1cccc(Br)c1Cl ZINC000575481773 377914561 /nfs/dbraw/zinc/91/45/61/377914561.db2.gz UAJWVCABDKWSST-ZCFIWIBFSA-N 0 0 259.534 3.426 10 30 CGEERN C=C[C@H](C)Nc1ccc(I)cc1F ZINC000575493927 377914667 /nfs/dbraw/zinc/91/46/67/377914667.db2.gz VWGJFHUYOKUVCP-ZETCQYMHSA-N 0 0 291.107 3.417 10 30 CGEERN C[C@@H]1C[C@@H](C)CC(C#N)(NC(=O)OC(C)(C)C)C1 ZINC000575496971 377914725 /nfs/dbraw/zinc/91/47/25/377914725.db2.gz QGPQUJBIECNMSW-GHMZBOCLSA-N 0 0 252.358 3.230 10 30 CGEERN C[C@@H]1CC[C@@H](C)[C@@](C#N)(NC(=O)OC(C)(C)C)C1 ZINC000575496630 377915098 /nfs/dbraw/zinc/91/50/98/377915098.db2.gz NFRRFLVCZSYNNI-JTNHKYCSSA-N 0 0 252.358 3.230 10 30 CGEERN N#Cc1c(F)cc(Br)cc1OC(F)(F)F ZINC000575686536 377961154 /nfs/dbraw/zinc/96/11/54/377961154.db2.gz GWLVOMZAGHACCY-UHFFFAOYSA-N 0 0 284.006 3.358 10 30 CGEERN N#CCc1cc(Br)cc(O)c1OC(F)(F)F ZINC000575689822 377965012 /nfs/dbraw/zinc/96/50/12/377965012.db2.gz HFNUJNILDCFGIS-UHFFFAOYSA-N 0 0 296.042 3.119 10 30 CGEERN CCc1cc(OC(F)(F)F)c(CC#N)cc1OC ZINC000575704114 377977275 /nfs/dbraw/zinc/97/72/75/377977275.db2.gz RWWNHCQCJAZCIL-UHFFFAOYSA-N 0 0 259.227 3.222 10 30 CGEERN CCc1cc(CC#N)cc(C)c1I ZINC000575705510 377978060 /nfs/dbraw/zinc/97/80/60/377978060.db2.gz HBNRTPQLJFZURG-UHFFFAOYSA-N 0 0 285.128 3.228 10 30 CGEERN CCc1cc(CC#N)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575706093 377978172 /nfs/dbraw/zinc/97/81/72/377978172.db2.gz MJDZSWOCPHVJMU-UHFFFAOYSA-N 0 0 258.199 3.242 10 30 CGEERN CSc1ccc(Cl)c(C(=O)N[C@@H]2CCC[C@@H]2C#N)c1 ZINC000334639390 532963856 /nfs/dbraw/zinc/96/38/56/532963856.db2.gz DBSKBWVXOFCTHL-NOZJJQNGSA-N 0 0 294.807 3.484 10 30 CGEERN O=C(NCCC1CCCCC1)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000328858868 542445087 /nfs/dbraw/zinc/44/50/87/542445087.db2.gz YIJYASDPDJLQSM-HUUCEWRRSA-N 0 0 280.412 3.028 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1cccc2ccsc21 ZINC000332913113 542451704 /nfs/dbraw/zinc/45/17/04/542451704.db2.gz MDRIXYGQSVRRET-YPMHNXCESA-N 0 0 270.357 3.323 10 30 CGEERN C[C@@H]1CCCC[C@H]1OCC(=O)Nc1nc2cccnc2[nH]1 ZINC000330039269 533623762 /nfs/dbraw/zinc/62/37/62/533623762.db2.gz FGVIXOJCTAKSNY-ZYHUDNBSSA-N 0 0 288.351 3.141 10 30 CGEERN C#C[C@H](OC(N)=O)C1CCC(c2ccccc2)CC1 ZINC000003598522 391918714 /nfs/dbraw/zinc/91/87/14/391918714.db2.gz RFUFMOJFRJZNJU-NRXISQOPSA-N 0 0 257.333 3.058 10 30 CGEERN Cc1cnn([C@H]2CCCN(Cc3ccc(C#N)cc3F)C2)c1 ZINC000105900869 392295667 /nfs/dbraw/zinc/29/56/67/392295667.db2.gz ANCMLUZZLFVDJL-INIZCTEOSA-N 0 0 298.365 3.039 10 30 CGEERN C=C[C@@](C)(CC)C(=O)N1CCC(c2cnn(CC)c2)CC1 ZINC000135062201 392471702 /nfs/dbraw/zinc/47/17/02/392471702.db2.gz VUIPNQVLCNWBNM-KRWDZBQOSA-N 0 0 289.423 3.211 10 30 CGEERN N#Cc1ccccc1CN1CCCC[C@H]1c1cn[nH]c1 ZINC000172068220 392617064 /nfs/dbraw/zinc/61/70/64/392617064.db2.gz ZQDADUNFZKSUJO-INIZCTEOSA-N 0 0 266.348 3.009 10 30 CGEERN C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C#N)C[C@@H](C)C1 ZINC000301766850 392598303 /nfs/dbraw/zinc/59/83/03/392598303.db2.gz HQDCVMUUXVNDTC-RYUDHWBXSA-N 0 0 273.336 3.339 10 30 CGEERN O=C(Nc1cnc(-c2ccccc2)nc1)N1C[C@@H]2CCC[C@@H]21 ZINC000329466286 392682109 /nfs/dbraw/zinc/68/21/09/392682109.db2.gz VNXCKBNKOAOQPE-ZFWWWQNUSA-N 0 0 294.358 3.173 10 30 CGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C[C@@H]1CCCCNC1=O ZINC000329485484 392683722 /nfs/dbraw/zinc/68/37/22/392683722.db2.gz GADZRRUOFMUPAE-GUTXKFCHSA-N 0 0 294.395 3.071 10 30 CGEERN C[C@](F)(C#N)c1ncc(Br)cc1Cl ZINC000307531602 392652856 /nfs/dbraw/zinc/65/28/56/392652856.db2.gz VOYUBRCWNXILNZ-QMMMGPOBSA-N 0 0 263.497 3.206 10 30 CGEERN C=C(C)CN(C)c1cc(C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000302009436 397676266 /nfs/dbraw/zinc/67/62/66/397676266.db2.gz ADLAAQMDHBXKMF-UHFFFAOYSA-N 0 0 298.346 3.373 10 30 CGEERN CC[C@@H](S)C(=O)Nc1cccc(Br)c1 ZINC000306213795 397677226 /nfs/dbraw/zinc/67/72/26/397677226.db2.gz XUEBDNUIOTUADY-SECBINFHSA-N 0 0 274.183 3.096 10 30 CGEERN Cc1csc(C2CCN(Cc3ccc(C#N)o3)CC2)n1 ZINC000092787382 165311614 /nfs/dbraw/zinc/31/16/14/165311614.db2.gz NUDWBWWVKKIMQB-UHFFFAOYSA-N 0 0 287.388 3.296 10 30 CGEERN CC#C[C@@H](Cc1ccccc1)n1nnc2ccccc21 ZINC000005283253 170082386 /nfs/dbraw/zinc/08/23/86/170082386.db2.gz KZMNYNFEIOVFJA-HNNXBMFYSA-N 0 0 261.328 3.238 10 30 CGEERN Cc1ccc(CN=Nc2ccccc2[N+](=O)[O-])cc1 ZINC000005543223 170111228 /nfs/dbraw/zinc/11/12/28/170111228.db2.gz FTHPJLMIXWHABO-XNTDXEJSSA-N 0 0 255.277 3.349 10 30 CGEERN COC(=O)c1ccc(/C=N/N2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000005560545 170113668 /nfs/dbraw/zinc/11/36/68/170113668.db2.gz MCDMYLGBNQDNHS-VYBPFTPOSA-N 0 0 274.364 3.070 10 30 CGEERN C=CCSc1nc(Cc2ccccc2)c(CC)c(=O)[nH]1 ZINC000005886772 170150442 /nfs/dbraw/zinc/15/04/42/170150442.db2.gz UNFBOYLJBBGKHB-UHFFFAOYSA-N 0 0 286.400 3.201 10 30 CGEERN COc1ccc(C=Nc2ccc3[nH]cnc3c2)cc1OC ZINC000005940522 170159051 /nfs/dbraw/zinc/15/90/51/170159051.db2.gz AKMABSNTADPFRS-RQZCQDPDSA-N 0 0 281.315 3.331 10 30 CGEERN Cc1ccc(CN=Nc2oc(C(C)C)nc2C#N)cc1 ZINC000006844925 170248254 /nfs/dbraw/zinc/24/82/54/170248254.db2.gz LMMNXBHWMWJSTG-RQZCQDPDSA-N 0 0 268.320 3.424 10 30 CGEERN COc1ccc(C=NNc2ccc(C)cc2)c(OC)c1 ZINC000007930996 170308181 /nfs/dbraw/zinc/30/81/81/170308181.db2.gz DNYHZHQSYWFGEA-GZTJUZNOSA-N 0 0 270.332 3.458 10 30 CGEERN N#Cc1ccc(Nc2ccc(Br)cc2)nc1 ZINC000019435098 170799359 /nfs/dbraw/zinc/79/93/59/170799359.db2.gz CHVLQNIBSKPAFF-UHFFFAOYSA-N 0 0 274.121 3.459 10 30 CGEERN N/C(=N\O)c1ccc(Oc2cc(Cl)ccc2Cl)nc1 ZINC000019518272 170824241 /nfs/dbraw/zinc/82/42/41/170824241.db2.gz LYWKGPDFPYFLQD-UHFFFAOYSA-N 0 0 298.129 3.275 10 30 CGEERN C[C@H](Nc1cccc(C#N)c1)c1ccc2c(c1)OCO2 ZINC000019922171 170929236 /nfs/dbraw/zinc/92/92/36/170929236.db2.gz YJMIDNHKFUVVEN-NSHDSACASA-N 0 0 266.300 3.460 10 30 CGEERN C[C@@H]1CCc2ccccc2N1c1ccccc1/C(N)=N/O ZINC000020075819 170984357 /nfs/dbraw/zinc/98/43/57/170984357.db2.gz QQDMFZHMOKOSRE-GFCCVEGCSA-N 0 0 281.359 3.254 10 30 CGEERN C#Cc1cccc(N[C@H](C)C(=O)Nc2ccccc2)c1 ZINC000020369345 171167025 /nfs/dbraw/zinc/16/70/25/171167025.db2.gz BNDNCJPPGMZKBA-CYBMUJFWSA-N 0 0 264.328 3.107 10 30 CGEERN O=[N+]([O-])c1ccc(NN=Cc2cccc(F)c2)cc1 ZINC000020754381 171271719 /nfs/dbraw/zinc/27/17/19/171271719.db2.gz AOUDTCHGTUSTKZ-OQLLNIDSSA-N 0 0 259.240 3.180 10 30 CGEERN C=C(C)Cn1c(CCCNC(=O)C(=C)C)nc2ccccc21 ZINC000035144791 172010206 /nfs/dbraw/zinc/01/02/06/172010206.db2.gz PTCQOJUIDFHJFC-UHFFFAOYSA-N 0 0 297.402 3.237 10 30 CGEERN Cc1cc(C)cc(OCC(=O)c2ccc(C#N)cc2)c1 ZINC000035224909 172069521 /nfs/dbraw/zinc/06/95/21/172069521.db2.gz DAVYXCMRLGFKOU-UHFFFAOYSA-N 0 0 265.312 3.437 10 30 CGEERN COc1cc(Cl)c(C)cc1NC1=N[C@H](C)CS1 ZINC000035294470 172106010 /nfs/dbraw/zinc/10/60/10/172106010.db2.gz NFTZALPQBIRASO-MRVPVSSYSA-N 0 0 270.785 3.369 10 30 CGEERN C[C@@H](O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000035626360 172305369 /nfs/dbraw/zinc/30/53/69/172305369.db2.gz KKDUEDKMZSDJFM-GFCCVEGCSA-N 0 0 253.301 3.191 10 30 CGEERN CCOc1ccc([C@H](C#N)C(=O)c2ccoc2)cc1 ZINC000037347776 173143738 /nfs/dbraw/zinc/14/37/38/173143738.db2.gz LKCXNWXGGFVJAA-AWEZNQCLSA-N 0 0 255.273 3.168 10 30 CGEERN COc1ccccc1[C@@H](C#N)C(=O)c1occc1C ZINC000037346729 173143758 /nfs/dbraw/zinc/14/37/58/173143758.db2.gz ORQSLURZBMDUCD-GFCCVEGCSA-N 0 0 255.273 3.087 10 30 CGEERN N#Cc1ccnc(Oc2cccc3c2NCCC3)c1 ZINC000038068044 174080001 /nfs/dbraw/zinc/08/00/01/174080001.db2.gz PVMKUXKEJDEBQM-UHFFFAOYSA-N 0 0 251.289 3.104 10 30 CGEERN N#C[C@]1(N2CCCCCC2)CCOc2ccccc21 ZINC000038086086 174096821 /nfs/dbraw/zinc/09/68/21/174096821.db2.gz DJVPOCXQDDJPGR-MRXNPFEDSA-N 0 0 256.349 3.064 10 30 CGEERN CCOc1cc2c(Cl)c(C#N)cnc2cc1OC ZINC000039000734 174160953 /nfs/dbraw/zinc/16/09/53/174160953.db2.gz RLXUEEGTWNCIML-UHFFFAOYSA-N 0 0 262.696 3.167 10 30 CGEERN N#C[C@H](NC(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000040215133 174204264 /nfs/dbraw/zinc/20/42/64/174204264.db2.gz WVPJLWMBAVIFAO-AWEZNQCLSA-N 0 0 270.719 3.335 10 30 CGEERN CCCSCc1ccc(F)c(C#CCCO)c1 ZINC000049622452 175495664 /nfs/dbraw/zinc/49/56/64/175495664.db2.gz OIIKZEYKPOVDON-UHFFFAOYSA-N 0 0 252.354 3.203 10 30 CGEERN CCCSCc1ccc(F)cc1C#CCCO ZINC000049622450 175495714 /nfs/dbraw/zinc/49/57/14/175495714.db2.gz RJZOCLOTTKPYGM-UHFFFAOYSA-N 0 0 252.354 3.203 10 30 CGEERN COc1ccc(C[C@](C)(C#N)NC2CCCC2)cc1 ZINC000071169667 176050661 /nfs/dbraw/zinc/05/06/61/176050661.db2.gz HYJWCVBWABLSJI-MRXNPFEDSA-N 0 0 258.365 3.052 10 30 CGEERN CCC(C)N=Nc1nc2ccc(NC(C)=O)cc2s1 ZINC000078397588 177337012 /nfs/dbraw/zinc/33/70/12/177337012.db2.gz KDUZWKKNDWXUNZ-LZYBPNLTSA-N 0 0 276.365 3.453 10 30 CGEERN C=CC[C@@H](C)C(=O)[C@H](C)NC(=O)OCc1ccccc1 ZINC000685961673 544111531 /nfs/dbraw/zinc/11/15/31/544111531.db2.gz NGNFCJSVAYTCNY-OLZOCXBDSA-N 0 0 275.348 3.083 10 30 CGEERN CCn1cc(NC(=O)[C@@H]2C[C@@]23CCOc2ccccc23)cn1 ZINC000329734678 227930955 /nfs/dbraw/zinc/93/09/55/227930955.db2.gz RNEWEYXWILBIRX-WMLDXEAASA-N 0 0 297.358 3.231 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000336081685 228185823 /nfs/dbraw/zinc/18/58/23/228185823.db2.gz SRURDJAKSHAHFR-FZMZJTMJSA-N 0 0 288.778 3.180 10 30 CGEERN C=C(C)CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000180448035 260102431 /nfs/dbraw/zinc/10/24/31/260102431.db2.gz KXPFRLDGPYJEQL-NEPJUHHUSA-N 0 0 265.303 3.103 10 30 CGEERN CC1(C)CCC[C@H](CC(=O)N[C@H]2CCC[C@@H]2C#N)C1 ZINC000407995391 260159835 /nfs/dbraw/zinc/15/98/35/260159835.db2.gz IZSUFPGNVLSWLV-MCIONIFRSA-N 0 0 262.397 3.401 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NCc1ccc2ccccc2n1 ZINC000086317697 260207476 /nfs/dbraw/zinc/20/74/76/260207476.db2.gz IJDNBFJMMGJUTE-ZFWWWQNUSA-N 0 0 251.333 3.017 10 30 CGEERN Cc1ncccc1N[C@H](C)c1ccc(OCC#N)cc1 ZINC000091495962 260266383 /nfs/dbraw/zinc/26/63/83/260266383.db2.gz JEGICEHKEZQJAC-GFCCVEGCSA-N 0 0 267.332 3.466 10 30 CGEERN Cc1c(Cl)cnc(N[C@@H]2CCC[C@H]2C#N)c1C#N ZINC000408183012 260562604 /nfs/dbraw/zinc/56/26/04/260562604.db2.gz NTBNUAHCSVNUQP-JOYOIKCWSA-N 0 0 260.728 3.019 10 30 CGEERN C[C@@H](NCCC#N)c1ccccc1Br ZINC000020199623 262232619 /nfs/dbraw/zinc/23/26/19/262232619.db2.gz YHFJXNYEJSUNDJ-SECBINFHSA-N 0 0 253.143 3.013 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)CCSc1ccc(F)cc1 ZINC000340526167 263185283 /nfs/dbraw/zinc/18/52/83/263185283.db2.gz ZCDCRHXUJIDYIO-RISCZKNCSA-N 0 0 292.379 3.116 10 30 CGEERN Cc1ncc(CNC(=O)C[C@@H]2CCCCC(=O)N2)s1 ZINC000328648380 263832657 /nfs/dbraw/zinc/83/26/57/263832657.db2.gz IKFBPVIWYCVLHB-JTQLQIEISA-N 0 0 281.381 3.197 10 30 CGEERN C#CCCCCC(=O)Nc1cccc2c1OCCC2 ZINC000362638923 267028156 /nfs/dbraw/zinc/02/81/56/267028156.db2.gz LNXCGJICZLLYKE-UHFFFAOYSA-N 0 0 257.333 3.144 10 30 CGEERN Cc1ccc(NN=Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000005339602 274746864 /nfs/dbraw/zinc/74/68/64/274746864.db2.gz UKTPEXMIAYMJOY-XNTDXEJSSA-N 0 0 255.277 3.349 10 30 CGEERN N#Cc1c(Cl)cncc1-c1ccc([N+](=O)[O-])cc1 ZINC000039140301 274917774 /nfs/dbraw/zinc/91/77/74/274917774.db2.gz XYARYJUUBFKZDE-UHFFFAOYSA-N 0 0 259.652 3.182 10 30 CGEERN CC1=CCCc2c1ccc1c2C(=O)C(=O)C2=C1OC[C@@H]2C ZINC000006037870 275915138 /nfs/dbraw/zinc/91/51/38/275915138.db2.gz AZIUYJPOBCMPON-JTQLQIEISA-N 0 0 280.323 3.179 10 30 biogenic,in-vitro CGEERN CC1=C(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000033387373 275919682 /nfs/dbraw/zinc/91/96/82/275919682.db2.gz JSWRJAPGZWFEBQ-NCCGYGPPSA-N 0 0 290.279 3.257 10 30 CGEERN C=CCN(Cc1ccccc1)C(=O)[C@H]1CCCO[C@H]1C ZINC000188514096 276892727 /nfs/dbraw/zinc/89/27/27/276892727.db2.gz IHEIAPRXTZISTE-HOCLYGCPSA-N 0 0 273.376 3.016 10 30 CGEERN C=C[C@@](C)(CCOC)C(=O)N[C@H]1CCCc2ccccc21 ZINC000187797264 276921389 /nfs/dbraw/zinc/92/13/89/276921389.db2.gz LSIQAMPJHUGQDS-WMZOPIPTSA-N 0 0 287.403 3.409 10 30 CGEERN Cc1c(C#N)ccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC000095803948 280201160 /nfs/dbraw/zinc/20/11/60/280201160.db2.gz JNDWCLSAAIVQBG-UHFFFAOYSA-N 0 0 272.348 3.160 10 30 CGEERN C[C@]12CC[C@@H]3[C@H](CC(=O)C4=CC(=O)C=C[C@@]43C)[C@H]1CCC2=O ZINC000504172829 300874214 /nfs/dbraw/zinc/87/42/14/300874214.db2.gz BXPQXTJWPDQYMP-RVJFBUOYSA-N 0 0 298.382 3.042 10 30 CGEERN N#Cc1ccc(/N=C\c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000497878 303187178 /nfs/dbraw/zinc/18/71/78/303187178.db2.gz OFKZDYVSBMFQHG-YBEGLDIGSA-N 0 0 251.245 3.217 10 30 CGEERN C=CCC(CC=C)C(=O)N1CCC[C@H](n2cc(C)cn2)C1 ZINC000131352709 328491611 /nfs/dbraw/zinc/49/16/11/328491611.db2.gz BGWDVIXKCUYMIV-INIZCTEOSA-N 0 0 287.407 3.123 10 30 CGEERN N#C[C@H]1CCC[C@H]1NCc1ccc2ncccc2c1 ZINC000069502083 326902358 /nfs/dbraw/zinc/90/23/58/326902358.db2.gz UZUGXROHVOOMEZ-HUUCEWRRSA-N 0 0 251.333 3.017 10 30 CGEERN N#CCCCCNC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000171732594 329079594 /nfs/dbraw/zinc/07/95/94/329079594.db2.gz VRRIMRNGLQHZPO-MNOVXSKESA-N 0 0 291.317 3.101 10 30 CGEERN C[C@@H]1C[C@H](C(=O)N(C)C2(C#N)CCC2)CC(C)(C)C1 ZINC000182222975 329240957 /nfs/dbraw/zinc/24/09/57/329240957.db2.gz GQDLRCNWCYWOPZ-OLZOCXBDSA-N 0 0 262.397 3.353 10 30 CGEERN CC(C)(C)c1ncc(CN[C@H]2CCC[C@@H]2C#N)s1 ZINC000062839090 329353052 /nfs/dbraw/zinc/35/30/52/329353052.db2.gz KKUUVBNJJSBEJR-PWSUYJOCSA-N 0 0 263.410 3.222 10 30 CGEERN C[C@H](N[C@@H]1CCC[C@@H]1C#N)c1c(F)cccc1F ZINC000061891178 329681438 /nfs/dbraw/zinc/68/14/38/329681438.db2.gz MQPBVANVKGCZMM-OPQQBVKSSA-N 0 0 250.292 3.308 10 30 CGEERN C=CC[C@@H](C)NC(=O)N1CCC(Cc2ccccn2)CC1 ZINC000194249377 329685692 /nfs/dbraw/zinc/68/56/92/329685692.db2.gz NMDKEGUEHQUUKW-CQSZACIVSA-N 0 0 287.407 3.010 10 30 CGEERN COc1ccc(CN[C@@H]2CCC[C@H]2C#N)cc1Cl ZINC000086586015 330370234 /nfs/dbraw/zinc/37/02/34/330370234.db2.gz KEMUIMKOMLRMCF-WCQYABFASA-N 0 0 264.756 3.130 10 30 CGEERN CC(C)[C@H]1[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)[C@H]1C=O ZINC000536955053 330382989 /nfs/dbraw/zinc/38/29/89/330382989.db2.gz OQHSIFBPKXBZOJ-ZNMIVQPWSA-N 0 0 295.423 3.351 10 30 CGEERN N#C[C@H]1CCC[C@H]1NCc1cc(F)cc(Br)c1 ZINC000312286634 333079667 /nfs/dbraw/zinc/07/96/67/333079667.db2.gz RQEXPQVDKJXJEQ-ZWNOBZJWSA-N 0 0 297.171 3.370 10 30 CGEERN C=C(C)C[C@H](C)C(=O)N[C@@H](CCC)C(=O)OC(C)(C)C ZINC000186065955 333154267 /nfs/dbraw/zinc/15/42/67/333154267.db2.gz QNFLITNBNPXJMC-STQMWFEESA-N 0 0 283.412 3.215 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000253180415 334420705 /nfs/dbraw/zinc/42/07/05/334420705.db2.gz DOVDKNASVZXGRR-YFKTTZPYSA-N 0 0 288.313 3.164 10 30 CGEERN C[C@@H](NC(=O)c1c[nH]c(C#N)c1)c1ccc(F)c(Cl)c1 ZINC000181248863 335755684 /nfs/dbraw/zinc/75/56/84/335755684.db2.gz HKIIQVASGHBRJK-MRVPVSSYSA-N 0 0 291.713 3.170 10 30 CGEERN C[C@@H]1CCN(C(=O)Nc2cccc(C#N)c2)C[C@@H](C)C1 ZINC000154615670 533990249 /nfs/dbraw/zinc/99/02/49/533990249.db2.gz JKXHYFJLZHGIMS-OLZOCXBDSA-N 0 0 271.364 3.458 10 30 CGEERN CN(c1ccc(C#N)c(Cl)c1)[C@@H]1CCSC1 ZINC000061850840 523635175 /nfs/dbraw/zinc/63/51/75/523635175.db2.gz ZLKXBPRIHSZXSP-LLVKDONJSA-N 0 0 252.770 3.153 10 30 CGEERN Cc1ccc([C@@H](C#N)C(=O)[C@@H]2CCCCO2)cc1C ZINC000061682051 525676415 /nfs/dbraw/zinc/67/64/15/525676415.db2.gz DDEGZYUTCPQFEP-CABCVRRESA-N 0 0 257.333 3.049 10 30 CGEERN N#Cc1ccc(Cl)cc1-n1ncc2ccc(N)cc21 ZINC000062786347 526633802 /nfs/dbraw/zinc/63/38/02/526633802.db2.gz QBTVTSKRFBADQC-UHFFFAOYSA-N 0 0 268.707 3.133 10 30 CGEERN OCC#Cc1ccc(CSCc2ccco2)cc1 ZINC000049623162 527519931 /nfs/dbraw/zinc/51/99/31/527519931.db2.gz NOYDYXWAZPINNR-UHFFFAOYSA-N 0 0 258.342 3.057 10 30 CGEERN CC(C)Oc1ncccc1NC(=O)N1CC[C@H]2CCC[C@@H]21 ZINC000330257770 528279445 /nfs/dbraw/zinc/27/94/45/528279445.db2.gz QXDNIVBKYIWDDQ-OCCSQVGLSA-N 0 0 289.379 3.289 10 30 CGEERN CC(C)[C@H](C(=O)NC[C@H]1CCCOC1)c1ccncc1 ZINC000329254309 528896058 /nfs/dbraw/zinc/89/60/58/528896058.db2.gz WTKBVLHCCFBBPI-HIFRSBDPSA-N 0 0 276.380 3.204 10 30 CGEERN C#CCOc1ccc(C(=O)N[C@@H](C)c2ccc(C)o2)cc1 ZINC000160457708 618055140 /nfs/dbraw/zinc/05/51/40/618055140.db2.gz BVGITBTUPRNFJQ-ZDUSSCGKSA-N 0 0 283.327 3.091 10 30 CGEERN Cc1ccccc1[C@@H](CC=O)NC(=O)OC(C)(C)C ZINC000238486778 618155494 /nfs/dbraw/zinc/15/54/94/618155494.db2.gz QSGADVNKDNJJQB-CYBMUJFWSA-N 0 0 263.337 3.150 10 30 CGEERN CCOc1ccc(O)c(/C=N\[C@H]2COc3ccccc32)c1 ZINC000255307364 618186010 /nfs/dbraw/zinc/18/60/10/618186010.db2.gz JQRBQVGXHNYADQ-PACYTGELSA-N 0 0 283.327 3.344 10 30 CGEERN C[C@@H](O)c1nc2ccccc2n1CCCC(C)(C)C#N ZINC000181496530 619026337 /nfs/dbraw/zinc/02/63/37/619026337.db2.gz RRTDMIFAHYYPND-GFCCVEGCSA-N 0 0 271.364 3.420 10 30 CGEERN N#C[C@H](COC(=O)Cc1cccc(F)c1)Cc1ccccc1 ZINC000175377317 624632378 /nfs/dbraw/zinc/63/23/78/624632378.db2.gz DNUJVYAYLHFAKN-MRXNPFEDSA-N 0 0 297.329 3.294 10 30 CGEERN C[C@H](C#N)NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 ZINC000068924964 624770063 /nfs/dbraw/zinc/77/00/63/624770063.db2.gz WYFODKQKQLBKGC-OFFHKIPUSA-N 0 0 256.349 3.026 10 30 CGEERN CC1(C)Cc2cc(CN[C@@H]3CCC[C@@H]3C#N)ccc2O1 ZINC000071170409 625061336 /nfs/dbraw/zinc/06/13/36/625061336.db2.gz UCUUHJZLKZTZQS-UKRRQHHQSA-N 0 0 270.376 3.182 10 30 CGEERN CCCCCCOc1ccc(CC(=O)N[C@H](C)C#N)cc1 ZINC000125104623 634581277 /nfs/dbraw/zinc/58/12/77/634581277.db2.gz ZLEOEHMNEXLMCQ-CQSZACIVSA-N 0 0 288.391 3.216 10 30 CGEERN C=CCCC(=O)OCc1c(C)nn(-c2ccccc2)c1C ZINC000102220797 634635650 /nfs/dbraw/zinc/63/56/50/634635650.db2.gz IRQDKEXYZLTIQR-UHFFFAOYSA-N 0 0 284.359 3.499 10 30 CGEERN C[C@H](OC(=O)c1sccc1C#N)c1nc2ccccc2[nH]1 ZINC000119031462 629421046 /nfs/dbraw/zinc/42/10/46/629421046.db2.gz JQYNAKNDIHYMHW-VIFPVBQESA-N 0 0 297.339 3.414 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccccc1-c1ncco1 ZINC000826697329 638209522 /nfs/dbraw/zinc/20/95/22/638209522.db2.gz BTHOZZPNXYBKKE-AAEUAGOBSA-N 0 0 296.330 3.155 10 30 CGEERN CC(C)Oc1ccc(/C=C\C(=O)c2ccnn2C)cc1 ZINC000096577740 640833935 /nfs/dbraw/zinc/83/39/35/640833935.db2.gz MFBGMAGXGPXETG-TWGQIWQCSA-N 0 0 270.332 3.103 10 30 CGEERN Cc1ccc(CON=Cc2ccc(F)cc2)c(C)n1 ZINC000588510194 799704110 /nfs/dbraw/zinc/70/41/10/799704110.db2.gz AVBRFJWAQOHALE-UHFFFAOYSA-N 0 0 258.296 3.388 10 30 CGEERN C#CC[C@@H](OC(=O)/C=C\c1scnc1C)C(C)C ZINC000588522276 799705615 /nfs/dbraw/zinc/70/56/15/799705615.db2.gz YFDWZOXCOGIZBC-QDZRJHCZSA-N 0 0 263.362 3.056 10 30 CGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)/C(=C\C)CC ZINC000588571814 799714959 /nfs/dbraw/zinc/71/49/59/799714959.db2.gz UKXKTHUDRQOMOA-RZNTYIFUSA-N 0 0 288.347 3.466 10 30 CGEERN C=CCNc1ccccc1C(=O)NCc1ccc(F)cc1 ZINC000095582714 185012808 /nfs/dbraw/zinc/01/28/08/185012808.db2.gz SDEISMNKFBMFFU-UHFFFAOYSA-N 0 0 284.334 3.354 10 30 CGEERN CC(C)(C)OC(=O)N=C(N)c1c(F)cccc1Cl ZINC000082578167 178118312 /nfs/dbraw/zinc/11/83/12/178118312.db2.gz UTHWZYASNBDBNH-UHFFFAOYSA-N 0 0 272.707 3.120 10 30 CGEERN N#Cc1c(Br)nccc1OCc1ccccc1 ZINC000095933527 185033645 /nfs/dbraw/zinc/03/36/45/185033645.db2.gz ZXBHDEVSCHQKJE-UHFFFAOYSA-N 0 0 289.132 3.295 10 30 CGEERN N#Cc1cccc(NC(=O)c2ccc3nc(N)sc3c2)c1 ZINC000082698271 178198116 /nfs/dbraw/zinc/19/81/16/178198116.db2.gz KNEMCEOVLGZXHQ-UHFFFAOYSA-N 0 0 294.339 3.002 10 30 CGEERN N#Cc1ccc(N2CC[C@]3(O)CCCC[C@@H]3C2)cc1Cl ZINC000128351680 136387513 /nfs/dbraw/zinc/38/75/13/136387513.db2.gz ARFOFYSPAHMUCI-CZUORRHYSA-N 0 0 290.794 3.343 10 30 CGEERN Cc1ccc(S(=O)(=O)[C@H](C#N)c2ccccc2)cc1 ZINC000022015509 344893772 /nfs/dbraw/zinc/89/37/72/344893772.db2.gz CVPNVSHNHQJGLP-OAHLLOKOSA-N 0 0 271.341 3.034 10 30 CGEERN Cc1cnc(Sc2ccc([N+](=O)[O-])cc2)c(C#N)c1 ZINC000034186306 344937554 /nfs/dbraw/zinc/93/75/54/344937554.db2.gz ZAQBUELCSTWMFY-UHFFFAOYSA-N 0 0 271.301 3.321 10 30 CGEERN CC(C)Cn1cnc2c1c1ccccc1nc2C#N ZINC000038418661 344955627 /nfs/dbraw/zinc/95/56/27/344955627.db2.gz DLHSFBUZQOMWGI-UHFFFAOYSA-N 0 0 250.305 3.112 10 30 CGEERN CN(c1ccc2ccccc2c1)c1ccc(N)c(C#N)n1 ZINC000039044564 344957160 /nfs/dbraw/zinc/95/71/60/344957160.db2.gz APCFOHOFBRTWAN-UHFFFAOYSA-N 0 0 274.327 3.457 10 30 CGEERN Cc1ccc(Br)cc1NC[C@@H](C)C#N ZINC000037368238 344950206 /nfs/dbraw/zinc/95/02/06/344950206.db2.gz FVAYMARVDIGDOF-QMMMGPOBSA-N 0 0 253.143 3.329 10 30 CGEERN C[C@@H](C#N)Nc1ccc(Br)cc1Cl ZINC000043514801 344999935 /nfs/dbraw/zinc/99/99/35/344999935.db2.gz DSYLRBVNZSBXMT-LURJTMIESA-N 0 0 259.534 3.426 10 30 CGEERN CC[C@H](C#N)Nc1ccccc1I ZINC000043539607 345000351 /nfs/dbraw/zinc/00/03/51/345000351.db2.gz KNSXSLJSNKTHCV-MRVPVSSYSA-N 0 0 286.116 3.005 10 30 CGEERN CC[C@H](C#N)Nc1ccc(I)cc1 ZINC000043539595 345000506 /nfs/dbraw/zinc/00/05/06/345000506.db2.gz IOFYLKCWAPIFCW-SECBINFHSA-N 0 0 286.116 3.005 10 30 CGEERN N#Cc1cc(C(F)(F)F)ccc1NCC(F)F ZINC000127410872 187303122 /nfs/dbraw/zinc/30/31/22/187303122.db2.gz PKAINUIWMKBCQW-UHFFFAOYSA-N 0 0 250.170 3.254 10 30 CGEERN C[C@H](CNc1ccc(C#N)cc1[N+](=O)[O-])Nc1ccccc1 ZINC000084927984 345743627 /nfs/dbraw/zinc/74/36/27/345743627.db2.gz SYUFVMYJYTXCHP-GFCCVEGCSA-N 0 0 296.330 3.379 10 30 CGEERN Cc1cc(N2CCc3cc(F)ccc3C2)c(C#N)c(C)n1 ZINC000091674036 345819903 /nfs/dbraw/zinc/81/99/03/345819903.db2.gz ZRCMAHHNXVJOIM-UHFFFAOYSA-N 0 0 281.334 3.272 10 30 CGEERN CN(OCc1ccccc1)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000092826214 345859622 /nfs/dbraw/zinc/85/96/22/345859622.db2.gz SMFRKOFOTULPCG-UHFFFAOYSA-N 0 0 283.287 3.034 10 30 CGEERN C=CCN(Cc1ccccc1)C(=O)N[C@@H](C)C(C)C ZINC000125924987 346020833 /nfs/dbraw/zinc/02/08/33/346020833.db2.gz WTIMZGVZTIEBOS-AWEZNQCLSA-N 0 0 260.381 3.429 10 30 CGEERN C[C@H](C#N)[C@H](O)c1ccc(Cl)cc1Br ZINC000126860785 346027130 /nfs/dbraw/zinc/02/71/30/346027130.db2.gz GQFIIWXFLBQSMI-LDWIPMOCSA-N 0 0 274.545 3.296 10 30 CGEERN CC[C@H](C#N)C(=O)c1ccc(Br)c(C)c1 ZINC000132072933 346069877 /nfs/dbraw/zinc/06/98/77/346069877.db2.gz YBDRPPXGHYNRAE-SECBINFHSA-N 0 0 266.138 3.490 10 30 CGEERN Cc1cc(Br)c(NC(=O)CS)cc1Cl ZINC000132610556 346072490 /nfs/dbraw/zinc/07/24/90/346072490.db2.gz VRACQGLKIIOPST-UHFFFAOYSA-N 0 0 294.601 3.279 10 30 CGEERN C#Cc1cncc([C@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC000138619458 346097090 /nfs/dbraw/zinc/09/70/90/346097090.db2.gz PCWSCHBYNUGOJO-CQSZACIVSA-N 0 0 272.348 3.135 10 30 CGEERN Cc1ccccc1NC(=NC#N)Oc1ccccc1 ZINC000141257806 346107794 /nfs/dbraw/zinc/10/77/94/346107794.db2.gz SSIHMZKIEOGPPH-UHFFFAOYSA-N 0 0 251.289 3.323 10 30 CGEERN CC(Cc1ccccc1)=NN1c2ccccc2CC1=O ZINC000149793430 346131622 /nfs/dbraw/zinc/13/16/22/346131622.db2.gz AZKDKCJRPWWWHG-QGOAFFKASA-N 0 0 264.328 3.194 10 30 CGEERN O=C(NO)[C@@H](Oc1ccc2c(c1)CCCC2)c1ccccc1 ZINC000166749063 346187463 /nfs/dbraw/zinc/18/74/63/346187463.db2.gz IYMAPCVKGOELBD-KRWDZBQOSA-N 0 0 297.354 3.191 10 30 CGEERN C[C@@]1(C(=O)C=C(Nc2ccccc2)c2ccccc2)CO1 ZINC000216375251 346290095 /nfs/dbraw/zinc/29/00/95/346290095.db2.gz NNULQOURTPSFCP-QIPRVMPFSA-N 0 0 279.339 3.498 10 30 CGEERN C=C[C@H](C)Nc1cc(OC)ccc1Br ZINC000234827156 346332624 /nfs/dbraw/zinc/33/26/24/346332624.db2.gz ZUOGMZDJZUKWBE-QMMMGPOBSA-N 0 0 256.143 3.444 10 30 CGEERN C[C@@H]1C[C@@H]1Nc1cc(Br)cc(C#N)c1 ZINC000227616044 346310297 /nfs/dbraw/zinc/31/02/97/346310297.db2.gz DOPMRJBBVIYQEM-HQJQHLMTSA-N 0 0 251.127 3.141 10 30 CGEERN N#C[C@H]1CCC[C@H]1NCc1ccc(F)cc1Cl ZINC000230686564 346321371 /nfs/dbraw/zinc/32/13/71/346321371.db2.gz BARULVJTHRAYIN-NOZJJQNGSA-N 0 0 252.720 3.261 10 30 CGEERN O=C(c1c(F)cccc1F)C(F)(F)C(F)(F)F ZINC000236155871 346339773 /nfs/dbraw/zinc/33/97/73/346339773.db2.gz DXNCEZYWNPJSLS-UHFFFAOYSA-N 0 0 260.108 3.345 10 30 CGEERN O=C(c1ccc(F)cc1F)C(F)(F)C(F)(F)F ZINC000236158149 346340036 /nfs/dbraw/zinc/34/00/36/346340036.db2.gz GVXGRYCXVGRQAM-UHFFFAOYSA-N 0 0 260.108 3.345 10 30 CGEERN N#CC[C@H](O)c1ccc(Br)c(Cl)c1 ZINC000236511657 346340854 /nfs/dbraw/zinc/34/08/54/346340854.db2.gz IHKHTGFDLSRCHZ-VIFPVBQESA-N 0 0 260.518 3.050 10 30 CGEERN C[C@H](N[C@H]1CCCC[C@H]1C#N)c1ccc(C#N)cc1 ZINC000251788083 346389984 /nfs/dbraw/zinc/38/99/84/346389984.db2.gz VFPOTIPPFSEIAZ-RCBQFDQVSA-N 0 0 253.349 3.291 10 30 CGEERN C#C[C@@H](C)Nc1cccc(I)c1C ZINC000300915817 346438373 /nfs/dbraw/zinc/43/83/73/346438373.db2.gz GANYYCAIXGKDCU-MRVPVSSYSA-N 0 0 285.128 3.033 10 30 CGEERN C#C[C@](C)(CC)Oc1ncccc1Br ZINC000306569755 346455407 /nfs/dbraw/zinc/45/54/07/346455407.db2.gz XFLUMXOVBJERKM-LLVKDONJSA-N 0 0 254.127 3.025 10 30 CGEERN N#Cc1cc(C(F)(F)F)c(C(F)(F)F)cc1N ZINC000514264288 346636374 /nfs/dbraw/zinc/63/63/74/346636374.db2.gz IPJGZEYAHHKYNV-UHFFFAOYSA-N 0 0 254.133 3.178 10 30 CGEERN N#Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1C=O ZINC000514278651 346638112 /nfs/dbraw/zinc/63/81/12/346638112.db2.gz ANGCRJINWWQRDT-UHFFFAOYSA-N 0 0 267.128 3.408 10 30 CGEERN N#C[C@@H](c1c(F)cccc1F)[C@H](CCO)c1cncs1 ZINC000584639286 346702068 /nfs/dbraw/zinc/70/20/68/346702068.db2.gz LNKYQPIUFWEILT-VHSXEESVSA-N 0 0 294.326 3.195 10 30 CGEERN N#C[C@H](c1cccc(F)c1F)[C@H](CCO)c1cncs1 ZINC000584639278 346702210 /nfs/dbraw/zinc/70/22/10/346702210.db2.gz KJOYSKGUYCMJSR-ONGXEEELSA-N 0 0 294.326 3.195 10 30 CGEERN COc1ccc2c(c1OC)-c1ccccc1[C@H]2C=O ZINC000584590469 346685777 /nfs/dbraw/zinc/68/57/77/346685777.db2.gz UOAPCYDFYFHJCB-CYBMUJFWSA-N 0 0 254.285 3.015 10 30 CGEERN CCCCCC/C=N/c1ccccc1S(N)(=O)=O ZINC000584596409 346687587 /nfs/dbraw/zinc/68/75/87/346687587.db2.gz BPPUJTJRZUDJNJ-RVDMUPIBSA-N 0 0 268.382 3.007 10 30 CGEERN COc1ccc(-c2ccccc2)cc1C[C@H](O)CC#N ZINC000584611789 346692653 /nfs/dbraw/zinc/69/26/53/346692653.db2.gz ZCSMNGHLWSZMJJ-MRXNPFEDSA-N 0 0 267.328 3.179 10 30 CGEERN C=Cc1cc(-n2ccc3ccncc32)ncc1C#CCF ZINC000584620219 346695197 /nfs/dbraw/zinc/69/51/97/346695197.db2.gz UECGYVPWEKZDRJ-UHFFFAOYSA-N 0 0 277.302 3.385 10 30 CGEERN COc1cc(OC)cc([C@@H](C#N)CC(F)(F)F)c1 ZINC000584621496 346695704 /nfs/dbraw/zinc/69/57/04/346695704.db2.gz PRRZWYRGQKWVLG-SECBINFHSA-N 0 0 259.227 3.263 10 30 CGEERN N#C[C@@H]1CCCN(c2nc3c(s2)c(Cl)ncc3F)C1 ZINC000584631695 346699192 /nfs/dbraw/zinc/69/91/92/346699192.db2.gz LHZPRLGRYKKVCZ-ZETCQYMHSA-N 0 0 296.758 3.224 10 30 CGEERN Clc1ncnc(Cl)c1C=NNc1ccccc1 ZINC000584635794 346701021 /nfs/dbraw/zinc/70/10/21/346701021.db2.gz WQMPZAYTYROWHF-OMCISZLKSA-N 0 0 267.119 3.229 10 30 CGEERN N#C[C@H](c1ccncc1)[C@H](CCO)c1cc(F)ccc1F ZINC000584636899 346701051 /nfs/dbraw/zinc/70/10/51/346701051.db2.gz YBDLKJDZIHNUQF-UKRRQHHQSA-N 0 0 288.297 3.133 10 30 CGEERN COc1ccc([C@@H](C)NCc2ccccc2C#N)cc1OC ZINC000128545238 187377257 /nfs/dbraw/zinc/37/72/57/187377257.db2.gz MSSPBPBIJIGNSR-CYBMUJFWSA-N 0 0 296.370 3.426 10 30 CGEERN N#Cc1ccc(N[C@@H]2CCC[C@H](O)C2)cc1C(F)(F)F ZINC000609448870 348344473 /nfs/dbraw/zinc/34/44/73/348344473.db2.gz KJVUSNJLODHSEV-PWSUYJOCSA-N 0 0 284.281 3.292 10 30 CGEERN OC1(CC#Cc2ccc(Br)cc2)CCCC1 ZINC000616581499 348835462 /nfs/dbraw/zinc/83/54/62/348835462.db2.gz VXVUOYILBPPYAB-UHFFFAOYSA-N 0 0 279.177 3.496 10 30 CGEERN CC(=O)N1C[C@H](c2cccc(C#N)c2)Nc2ccccc21 ZINC000616585441 348837259 /nfs/dbraw/zinc/83/72/59/348837259.db2.gz QHVINVKODIETFJ-MRXNPFEDSA-N 0 0 277.327 3.078 10 30 CGEERN N#Cc1ccccc1[C@H]1CN(Cc2ccccc2)CCO1 ZINC000616645003 348854900 /nfs/dbraw/zinc/85/49/00/348854900.db2.gz RAGZQKPRIVFQLX-GOSISDBHSA-N 0 0 278.355 3.132 10 30 CGEERN N#Cc1cccc([C@@H]2CCc3ccccc3N2C(N)=O)c1 ZINC000616668742 348860700 /nfs/dbraw/zinc/86/07/00/348860700.db2.gz FGRQINZDQPHVGE-INIZCTEOSA-N 0 0 277.327 3.131 10 30 CGEERN Cc1ncsc1CN(C)[C@H]1CCCCC[C@@H]1C#N ZINC000104431814 186000821 /nfs/dbraw/zinc/00/08/21/186000821.db2.gz QGYODLUYGJJNNR-OLZOCXBDSA-N 0 0 263.410 3.356 10 30 CGEERN O=C1C=C[C@H]2C(c3ccccc3)C=C1N2c1ccccc1 ZINC000106867987 186144386 /nfs/dbraw/zinc/14/43/86/186144386.db2.gz VFIZUJWBXQYLSX-ZWKOTPCHSA-N 0 0 273.335 3.466 10 30 CGEERN CN(c1cccc(C#N)c1)c1ccc(F)cc1C#N ZINC000111026398 186346322 /nfs/dbraw/zinc/34/63/22/186346322.db2.gz HWCNXRYIKKPTMM-UHFFFAOYSA-N 0 0 251.264 3.337 10 30 CGEERN C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1ccccc1C#N ZINC000117566314 186752446 /nfs/dbraw/zinc/75/24/46/186752446.db2.gz KNAOUWXEEKZFGE-MEDUHNTESA-N 0 0 278.311 3.061 10 30 CGEERN Cc1ccc(N2CCC(Cc3ccccn3)CC2)nc1C#N ZINC000193568547 138483216 /nfs/dbraw/zinc/48/32/16/138483216.db2.gz KZIUARKZHHRSIC-UHFFFAOYSA-N 0 0 292.386 3.116 10 30 CGEERN C=CC[C@H](C)NC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000176861422 189011905 /nfs/dbraw/zinc/01/19/05/189011905.db2.gz ZORYILJFZMNWHG-KBPBESRZSA-N 0 0 298.390 3.197 10 30 CGEERN COC(=O)c1ccc(/N=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000000485361 368378337 /nfs/dbraw/zinc/37/83/37/368378337.db2.gz OUPXWICPRKHZRU-YBEGLDIGSA-N 0 0 284.271 3.132 10 30 CGEERN COc1ccc(/C=N\c2ccc(NC(C)=O)cc2)cc1O ZINC000000502674 368380314 /nfs/dbraw/zinc/38/03/14/368380314.db2.gz MJHLRWJVQVKZMG-YVLHZVERSA-N 0 0 284.315 3.110 10 30 CGEERN N#C[C@@H](c1ccc(O)cc1)[C@H](C#N)c1ccc(O)cc1 ZINC000013470337 368654976 /nfs/dbraw/zinc/65/49/76/368654976.db2.gz CVYGUAJDEHYTCH-IYBDPMFKSA-N 0 0 264.284 3.012 10 30 CGEERN O=C(/C=C/C=C/CSc1ccc(Cl)cc1)NO ZINC000013679864 368661109 /nfs/dbraw/zinc/66/11/09/368661109.db2.gz PERSSGOZVHZNBC-ZPUQHVIOSA-N 0 0 269.753 3.050 10 30 CGEERN O=C(c1c[nH]c2ccccc21)[C@@H]1O[C@@H]1c1ccccc1 ZINC000015016982 368688159 /nfs/dbraw/zinc/68/81/59/368688159.db2.gz AFOMLHLQSZZDNB-SJORKVTESA-N 0 0 263.296 3.491 10 30 CGEERN O=C(/C=C/c1ccc(O)cc1)c1nc2ccccc2[nH]1 ZINC000026462441 368859408 /nfs/dbraw/zinc/85/94/08/368859408.db2.gz UAERZVRPLVLOSV-JXMROGBWSA-N 0 0 264.284 3.165 10 30 CGEERN C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC000034400528 368974377 /nfs/dbraw/zinc/97/43/77/368974377.db2.gz HCCCYDLUFISNCU-LLVKDONJSA-N 0 0 285.384 3.188 10 30 CGEERN CCN(Cc1ccc2ccccc2n1)C[C@@H](C)C#N ZINC000042449661 369220865 /nfs/dbraw/zinc/22/08/65/369220865.db2.gz NZXYUVDHGNSCML-ZDUSSCGKSA-N 0 0 253.349 3.216 10 30 CGEERN C[C@@H](Nc1ncc([N+](=O)[O-])cc1C#N)c1cccs1 ZINC000048935998 369374366 /nfs/dbraw/zinc/37/43/66/369374366.db2.gz ZWKBLYLHJRZZJC-MRVPVSSYSA-N 0 0 274.305 3.096 10 30 CGEERN N#C[C@H]1CCC[C@H]1NCc1ccccc1Br ZINC000054826349 369507067 /nfs/dbraw/zinc/50/70/67/369507067.db2.gz CCSWOHIQXMGTCK-ZWNOBZJWSA-N 0 0 279.181 3.231 10 30 CGEERN C[C@H](Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCCO1 ZINC000061846008 369608266 /nfs/dbraw/zinc/60/82/66/369608266.db2.gz RVOUSZYVDVBCRB-ZANVPECISA-N 0 0 250.729 3.191 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1cc2c(s1)CCCCC2 ZINC000061888741 369609773 /nfs/dbraw/zinc/60/97/73/369609773.db2.gz DXGRRDVUPFBGIS-QWHCGFSZSA-N 0 0 288.416 3.439 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1ccccc1C(F)(F)F ZINC000061889253 369609875 /nfs/dbraw/zinc/60/98/75/369609875.db2.gz SYIBCGCRSFBTJA-JOYOIKCWSA-N 0 0 282.265 3.127 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)Nc1cccc(Cl)c1 ZINC000061889361 369611002 /nfs/dbraw/zinc/61/10/02/369611002.db2.gz WSOVRWSMHYIOBU-JOYOIKCWSA-N 0 0 263.728 3.154 10 30 CGEERN CC(C)(C)OC(=O)N1C[C@@H](C#N)Cc2ccccc21 ZINC000084799475 370014852 /nfs/dbraw/zinc/01/48/52/370014852.db2.gz WGCWMPNQGRRYPS-LLVKDONJSA-N 0 0 258.321 3.124 10 30 CGEERN O=C1C=Cc2ccccc2C1=NNc1cccc([N+](=O)[O-])c1 ZINC000100209927 370274037 /nfs/dbraw/zinc/27/40/37/370274037.db2.gz IKXNXTZPTLRUIB-VLGSPTGOSA-N 0 0 293.282 3.007 10 30 CGEERN CCCC#Cc1ccc(I)cc1 ZINC000117900122 370602432 /nfs/dbraw/zinc/60/24/32/370602432.db2.gz ZYQJTFJMCOUCKQ-UHFFFAOYSA-N 0 0 270.113 3.443 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NCc1cc(Cl)ccc1F ZINC000131750756 371128605 /nfs/dbraw/zinc/12/86/05/371128605.db2.gz UPRNOCOWIFLXKV-RNCFNFMXSA-N 0 0 252.720 3.261 10 30 CGEERN CC(C)CC[C@H](C)Nc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000232580957 189817206 /nfs/dbraw/zinc/81/72/06/189817206.db2.gz PJWSFIGCSRMNLP-JTQLQIEISA-N 0 0 262.313 3.098 10 30 CGEERN C[C@H](NC(=O)CC#N)c1c(Cl)ccc(F)c1Cl ZINC000132356417 371168731 /nfs/dbraw/zinc/16/87/31/371168731.db2.gz RJXOOWGBTNAXGU-LURJTMIESA-N 0 0 275.110 3.223 10 30 CGEERN C[C@@H]1C[C@H]1Nc1ccc(C#N)cc1Br ZINC000134785756 371363686 /nfs/dbraw/zinc/36/36/86/371363686.db2.gz RRFHRWKXTCANGM-RDDDGLTNSA-N 0 0 251.127 3.141 10 30 CGEERN COc1ccc(CN2CCCC[C@@H]2c2cn[nH]c2)cc1C#N ZINC000135191683 371400419 /nfs/dbraw/zinc/40/04/19/371400419.db2.gz FXKYDEJCBWJXKJ-MRXNPFEDSA-N 0 0 296.374 3.017 10 30 CGEERN C[C@@H]([NH2+]CC1(O)CCCCCC1)c1ccc(C#N)s1 ZINC000134973521 371380867 /nfs/dbraw/zinc/38/08/67/371380867.db2.gz OEZDDYJZXHEDIM-GFCCVEGCSA-N 0 0 278.421 3.356 10 30 CGEERN Cc1cnn([C@H]2CCCN(Cc3cc(F)ccc3C#N)C2)c1 ZINC000160116767 372214869 /nfs/dbraw/zinc/21/48/69/372214869.db2.gz PICNPYSFGGRJAL-KRWDZBQOSA-N 0 0 298.365 3.039 10 30 CGEERN CS[C@H]1CCCCN(c2cc(C)nc(C)c2C#N)C1 ZINC000160886969 372285944 /nfs/dbraw/zinc/28/59/44/372285944.db2.gz DDVYHAAQNDPHBZ-ZDUSSCGKSA-N 0 0 275.421 3.292 10 30 CGEERN C=CCCS(=O)(=O)N[C@H]1c2ccccc2CCC1(C)C ZINC000161779262 372352473 /nfs/dbraw/zinc/35/24/73/372352473.db2.gz JMEQKYWIGXPQIQ-HNNXBMFYSA-N 0 0 293.432 3.196 10 30 CGEERN N#Cc1ccccc1CN1CCC[C@H]1c1ccco1 ZINC000172027634 372886112 /nfs/dbraw/zinc/88/61/12/372886112.db2.gz FKWFYZLRPWWJRY-HNNXBMFYSA-N 0 0 252.317 3.488 10 30 CGEERN C[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C#N)n2)[C@H](C)C1 ZINC000300172460 373619672 /nfs/dbraw/zinc/61/96/72/373619672.db2.gz IKUASIRBXSJGHG-MXWKQRLJSA-N 0 0 274.324 3.098 10 30 CGEERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)Nc1ccc(F)cc1C#N ZINC000177596343 373693669 /nfs/dbraw/zinc/69/36/69/373693669.db2.gz NFPCTAIXDBJFBY-HWPZZCPQSA-N 0 0 296.301 3.201 10 30 CGEERN CCOCC1CCN(c2cc(Cl)ccc2C#N)CC1 ZINC000301273609 373723458 /nfs/dbraw/zinc/72/34/58/373723458.db2.gz KXLICXMVMINEHM-UHFFFAOYSA-N 0 0 278.783 3.465 10 30 CGEERN C=C(Br)CNc1ccc(OC(F)(F)F)cn1 ZINC000302573350 373898404 /nfs/dbraw/zinc/89/84/04/373898404.db2.gz QFPSFUNHEZLLKN-UHFFFAOYSA-N 0 0 297.074 3.301 10 30 CGEERN CCc1ccc(CNc2ccc(C)c(C#N)n2)cc1 ZINC000302652770 373917016 /nfs/dbraw/zinc/91/70/16/373917016.db2.gz NJQGVMQBPCXSOZ-UHFFFAOYSA-N 0 0 251.333 3.436 10 30 CGEERN C[C@H]1CC(=O)Oc2cc(Oc3ccc(C#N)cn3)ccc21 ZINC000302818285 373973535 /nfs/dbraw/zinc/97/35/35/373973535.db2.gz IXHZMJKLDNVTOA-JTQLQIEISA-N 0 0 280.283 3.158 10 30 CGEERN Cc1cc(N[C@H](C)c2cccc(O)c2)cc(C#N)n1 ZINC000308281604 374161846 /nfs/dbraw/zinc/16/18/46/374161846.db2.gz VSWYQGZMDGMCBA-LLVKDONJSA-N 0 0 253.305 3.140 10 30 CGEERN CCC1CCN(C(=O)N[C@@H]2CCC(=O)NC23CCC3)CC1 ZINC000328732877 374378498 /nfs/dbraw/zinc/37/84/98/374378498.db2.gz HJZAYDICFMHITM-CYBMUJFWSA-N 0 0 293.411 3.064 10 30 CGEERN C[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000328736626 374379000 /nfs/dbraw/zinc/37/90/00/374379000.db2.gz JURLCFFZGWEHMR-AGIUHOORSA-N 0 0 293.411 3.110 10 30 CGEERN Cc1cnc(-c2noc([C@@]3(C#N)CC34CCCC4)n2)s1 ZINC000333233137 374602055 /nfs/dbraw/zinc/60/20/55/374602055.db2.gz OPUNAMOXRAEZHF-AWEZNQCLSA-N 0 0 286.360 3.227 10 30 CGEERN C#CCCCC(=O)N1C[C@@H](c2ccccc2)OCC1(C)C ZINC000192260443 375721491 /nfs/dbraw/zinc/72/14/91/375721491.db2.gz GDWUKHJKBFMYTB-INIZCTEOSA-N 0 0 285.387 3.169 10 30 CGEERN N#Cc1ccc(NC(=O)[C@@H]2CCCCC2(F)F)cc1 ZINC000336887569 376019752 /nfs/dbraw/zinc/01/97/52/376019752.db2.gz IHSDEOHCLVIJAA-LBPRGKRZSA-N 0 0 264.275 3.322 10 30 CGEERN C=CCN(C/C(=N/O)c1cccs1)C(=O)OC(C)(C)C ZINC000215970989 376155616 /nfs/dbraw/zinc/15/56/16/376155616.db2.gz KZKZDBOYKAXJAE-PTNGSMBKSA-N 0 0 296.392 3.350 10 30 CGEERN Cc1cccc(C#Cc2ccc(C(=O)NC3CCC3)nc2)c1 ZINC000223177548 376247558 /nfs/dbraw/zinc/24/75/58/376247558.db2.gz KNAHBJGIWOIPKL-UHFFFAOYSA-N 0 0 290.366 3.072 10 30 CGEERN C[C@@H](Nc1ccc([N+](=O)[O-])c(C#N)n1)c1cccs1 ZINC000235260592 376636678 /nfs/dbraw/zinc/63/66/78/376636678.db2.gz KGRNAFQDIUTXEL-MRVPVSSYSA-N 0 0 274.305 3.096 10 30 CGEERN N#CCc1c[nH]c2cc(F)c(Br)cc12 ZINC000238543765 376770929 /nfs/dbraw/zinc/77/09/29/376770929.db2.gz SKEVQYHEBYZOCX-UHFFFAOYSA-N 0 0 253.074 3.136 10 30 CGEERN CC#CCCN1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000248390500 377304169 /nfs/dbraw/zinc/30/41/69/377304169.db2.gz IFNJZAJHJPXNCS-CZUORRHYSA-N 0 0 261.340 3.001 10 30 CGEERN COC(=O)c1ccc(N=Cc2ccc(OC)cc2)cc1 ZINC000254813432 377713059 /nfs/dbraw/zinc/71/30/59/377713059.db2.gz MKAJIWRJVNVWRN-UHFFFAOYSA-N 0 0 269.300 3.232 10 30 CGEERN NC(=O)c1ccccc1N=Cc1ccc(Cl)cc1 ZINC000254840876 377715118 /nfs/dbraw/zinc/71/51/18/377715118.db2.gz JQSCDDUJHQFWEU-UHFFFAOYSA-N 0 0 258.708 3.190 10 30 CGEERN COC(=O)Cc1cc(C#N)c(SC(F)(F)F)cc1F ZINC000575390642 377898191 /nfs/dbraw/zinc/89/81/91/377898191.db2.gz KDJYNKMZZCMJCN-UHFFFAOYSA-N 0 0 293.241 3.025 10 30 CGEERN COC(=O)c1cc(C(F)(F)F)c(C(F)F)cc1C#N ZINC000575344264 377884513 /nfs/dbraw/zinc/88/45/13/377884513.db2.gz ZKYHFJAPERBSQJ-UHFFFAOYSA-N 0 0 279.164 3.301 10 30 CGEERN COC(=O)c1c(C#N)c(C(F)F)ccc1C(F)(F)F ZINC000575344256 377885402 /nfs/dbraw/zinc/88/54/02/377885402.db2.gz YXYASCSVTFNGQO-UHFFFAOYSA-N 0 0 279.164 3.301 10 30 CGEERN CCOC(=O)c1c(C#N)ccc(OC(F)(F)F)c1Cl ZINC000575382899 377892781 /nfs/dbraw/zinc/89/27/81/377892781.db2.gz PRKGHPLIFLAFEK-UHFFFAOYSA-N 0 0 293.628 3.287 10 30 CGEERN CCOC(=O)Cc1c(CC)ccc(C#N)c1C(F)F ZINC000575389346 377897585 /nfs/dbraw/zinc/89/75/85/377897585.db2.gz AOZJPKKOTKIGCY-UHFFFAOYSA-N 0 0 267.275 3.164 10 30 CGEERN N#CCc1cc(C#N)c(C(F)(F)F)c(OC(F)F)c1 ZINC000575638013 377924326 /nfs/dbraw/zinc/92/43/26/377924326.db2.gz CLBFUVDEAWILPB-UHFFFAOYSA-N 0 0 276.164 3.245 10 30 CGEERN N#CCc1c(C#N)cc(C(F)(F)F)cc1OC(F)F ZINC000575639553 377925382 /nfs/dbraw/zinc/92/53/82/377925382.db2.gz SAGVMPCCPFWPPM-UHFFFAOYSA-N 0 0 276.164 3.245 10 30 CGEERN CCOc1cc(C(F)(F)F)c(C#N)cc1CC#N ZINC000575644265 377926526 /nfs/dbraw/zinc/92/65/26/377926526.db2.gz YPNALVPMWXHKLG-UHFFFAOYSA-N 0 0 254.211 3.042 10 30 CGEERN CCc1cc(C#N)c(CC#N)cc1OC(F)(F)F ZINC000575647002 377927382 /nfs/dbraw/zinc/92/73/82/377927382.db2.gz HXSLIPXHHILNDN-UHFFFAOYSA-N 0 0 254.211 3.085 10 30 CGEERN CCc1cc(I)cc(C#N)c1CC ZINC000575652714 377930422 /nfs/dbraw/zinc/93/04/22/377930422.db2.gz WKKHQFZHAQSHNC-UHFFFAOYSA-N 0 0 285.128 3.288 10 30 CGEERN N#CCc1cc(OC(F)F)c(Br)cc1F ZINC000575681021 377955948 /nfs/dbraw/zinc/95/59/48/377955948.db2.gz XCHSXOSHMJFPBO-UHFFFAOYSA-N 0 0 280.043 3.256 10 30 CGEERN CCOc1cc(CC)c(CC#N)cc1OC(F)F ZINC000575655540 377932649 /nfs/dbraw/zinc/93/26/49/377932649.db2.gz KOTBRTIWEZFDMX-UHFFFAOYSA-N 0 0 255.264 3.315 10 30 CGEERN N#Cc1c(F)ccc(OC(F)F)c1C(F)(F)F ZINC000575658543 377934412 /nfs/dbraw/zinc/93/44/12/377934412.db2.gz BXXGVVVNZUKLES-UHFFFAOYSA-N 0 0 255.117 3.318 10 30 CGEERN N#Cc1cc(OC(F)F)cc(F)c1C(F)(F)F ZINC000575660162 377935815 /nfs/dbraw/zinc/93/58/15/377935815.db2.gz NWOUTHJMJKFFBC-UHFFFAOYSA-N 0 0 255.117 3.318 10 30 CGEERN N#Cc1ccc(OC(F)F)c(C(F)(F)F)c1F ZINC000575660533 377936980 /nfs/dbraw/zinc/93/69/80/377936980.db2.gz RIACAZKZQHZBIO-UHFFFAOYSA-N 0 0 255.117 3.318 10 30 CGEERN N#CCc1cc(OC(F)F)cc(C(F)(F)F)c1[N+](=O)[O-] ZINC000575665394 377942187 /nfs/dbraw/zinc/94/21/87/377942187.db2.gz DNNZHUHNYXZWGY-UHFFFAOYSA-N 0 0 296.151 3.281 10 30 CGEERN COc1c(CC#N)ccc(C(F)(F)F)c1OC(F)F ZINC000575665670 377942960 /nfs/dbraw/zinc/94/29/60/377942960.db2.gz SFSQTVABXAALNI-UHFFFAOYSA-N 0 0 281.180 3.381 10 30 CGEERN COc1ccc(Cl)c(CC#N)c1Br ZINC000575673519 377948291 /nfs/dbraw/zinc/94/82/91/377948291.db2.gz BVRUFKKFHZHTFI-UHFFFAOYSA-N 0 0 260.518 3.177 10 30 CGEERN CCOc1cc(OC(F)(F)F)cc(CC)c1C#N ZINC000575671959 377948864 /nfs/dbraw/zinc/94/88/64/377948864.db2.gz SJYQAWCGAWKFFP-UHFFFAOYSA-N 0 0 259.227 3.418 10 30 CGEERN N#CCc1c(Br)c(F)ccc1OC(F)F ZINC000575679806 377953640 /nfs/dbraw/zinc/95/36/40/377953640.db2.gz CDMWFAZXTXYLHC-UHFFFAOYSA-N 0 0 280.043 3.256 10 30 CGEERN N#CCc1cc(Br)c(F)c(OC(F)F)c1 ZINC000575680048 377953810 /nfs/dbraw/zinc/95/38/10/377953810.db2.gz JIPRZMKLSNMGPR-UHFFFAOYSA-N 0 0 280.043 3.256 10 30 CGEERN COC(=O)c1cc(C)c(SC(F)(F)F)cc1C#N ZINC000575394309 377902566 /nfs/dbraw/zinc/90/25/66/377902566.db2.gz BQHYMUUHYSYIRO-UHFFFAOYSA-N 0 0 275.251 3.265 10 30 CGEERN CCOC(=O)c1c(C)c(C#N)ccc1C(F)(F)F ZINC000575394431 377902713 /nfs/dbraw/zinc/90/27/13/377902713.db2.gz HHMSSLNFTSNLLN-UHFFFAOYSA-N 0 0 257.211 3.062 10 30 CGEERN N#CCc1c(Br)cc(F)cc1OC(F)F ZINC000575680729 377954583 /nfs/dbraw/zinc/95/45/83/377954583.db2.gz VLIWRTCULANMSC-UHFFFAOYSA-N 0 0 280.043 3.256 10 30 CGEERN COc1cc(Br)c(OC(F)F)cc1CC#N ZINC000575685094 377960249 /nfs/dbraw/zinc/96/02/49/377960249.db2.gz UIYGUGKTYRGEHC-UHFFFAOYSA-N 0 0 292.079 3.125 10 30 CGEERN N#Cc1cc([N+](=O)[O-])c(Cl)cc1C(F)(F)F ZINC000575694090 377968322 /nfs/dbraw/zinc/96/83/22/377968322.db2.gz IVEBURDRNPTWJC-UHFFFAOYSA-N 0 0 250.563 3.139 10 30 CGEERN CCc1cc(OC(F)(F)F)c(CC#N)cc1C=O ZINC000575702262 377976225 /nfs/dbraw/zinc/97/62/25/377976225.db2.gz HURMRDLLKGCKIL-UHFFFAOYSA-N 0 0 257.211 3.026 10 30 CGEERN CCc1cc(C)c(CC#N)c(I)c1 ZINC000575705977 377978011 /nfs/dbraw/zinc/97/80/11/377978011.db2.gz MYQJWQVBOXBOJC-UHFFFAOYSA-N 0 0 285.128 3.228 10 30 CGEERN CCc1cc(CC#N)c([N+](=O)[O-])c(OC(F)(F)F)c1 ZINC000575706277 377978114 /nfs/dbraw/zinc/97/81/14/377978114.db2.gz OLPANHWTRUYZRR-UHFFFAOYSA-N 0 0 274.198 3.122 10 30 CGEERN CCc1cc([N+](=O)[O-])c(CC#N)cc1C(F)(F)F ZINC000575704799 377978527 /nfs/dbraw/zinc/97/85/27/377978527.db2.gz BSPGELBZTZKICC-UHFFFAOYSA-N 0 0 258.199 3.242 10 30 CGEERN CCc1cc(I)c(C)cc1CC#N ZINC000575706726 377978929 /nfs/dbraw/zinc/97/89/29/377978929.db2.gz XHTZEULDEDPXEJ-UHFFFAOYSA-N 0 0 285.128 3.228 10 30 CGEERN Cc1cnc([C@@H](C)NC(=O)N2CC3(C2)CCCCC3)o1 ZINC000329547365 542446815 /nfs/dbraw/zinc/44/68/15/542446815.db2.gz DQHINOZCLKRFBY-GFCCVEGCSA-N 0 0 277.368 3.224 10 30 CGEERN C[C@H]1CC[C@H](NC(=O)C(C)(C)C#N)c2ccccc21 ZINC000125119481 392438682 /nfs/dbraw/zinc/43/86/82/392438682.db2.gz RYQKAIPPJUUVQU-FZMZJTMJSA-N 0 0 256.349 3.291 10 30 CGEERN Cc1cc(N2CC[C@@H](CC(C)C)C2)c(C#N)c(C)n1 ZINC000301791017 392598101 /nfs/dbraw/zinc/59/81/01/392598101.db2.gz QQEOQHCKKJZEMF-AWEZNQCLSA-N 0 0 257.381 3.443 10 30 CGEERN N#Cc1c(F)c(F)c(Br)cc1Br ZINC000307355643 392650093 /nfs/dbraw/zinc/65/00/93/392650093.db2.gz VWTNLQUUAYBPHV-UHFFFAOYSA-N 0 0 296.896 3.361 10 30 CGEERN C[C@@](F)(C#N)c1ncc(Br)cc1Cl ZINC000307531601 392652887 /nfs/dbraw/zinc/65/28/87/392652887.db2.gz VOYUBRCWNXILNZ-MRVPVSSYSA-N 0 0 263.497 3.206 10 30 CGEERN Cc1nc(N[C@@H]2COc3ccccc32)c(Cl)cc1C#N ZINC000312966090 392663892 /nfs/dbraw/zinc/66/38/92/392663892.db2.gz URCPXTZZRKQOQX-CYBMUJFWSA-N 0 0 285.734 3.461 10 30 CGEERN C[C@@H]1C[C@@H]1NC(=O)c1ccccc1Oc1ccccc1C#N ZINC000181612201 392735791 /nfs/dbraw/zinc/73/57/91/392735791.db2.gz ZDYHPCXJCXJBDS-DOMZBBRYSA-N 0 0 292.338 3.489 10 30 CGEERN C=C[C@@H]1CC[C@@H](O)[C@H](N(C)C(=S)Nc2ccccc2)C1 ZINC000103230649 397648612 /nfs/dbraw/zinc/64/86/12/397648612.db2.gz DJHLMCRMGSKBHE-BPLDGKMQSA-N 0 0 290.432 3.031 10 30 CGEERN CC(C)[C@@H](C)NC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000076544882 165117248 /nfs/dbraw/zinc/11/72/48/165117248.db2.gz QZPWTKFBHKLIKC-SECBINFHSA-N 0 0 297.305 3.326 10 30 CGEERN CC(C)[C@H](C)Nc1nc(C(F)(F)F)ccc1C#N ZINC000078832684 165138774 /nfs/dbraw/zinc/13/87/74/165138774.db2.gz CXNBQNWOOCOHJB-QMMMGPOBSA-N 0 0 257.259 3.428 10 30 CGEERN Cc1cc(C)n(/N=C(/c2ccccc2)C(C)C)c(=O)c1C#N ZINC000005958116 170162843 /nfs/dbraw/zinc/16/28/43/170162843.db2.gz ZJTOFSHTENABGD-LVZFUZTISA-N 0 0 293.370 3.245 10 30 CGEERN COc1ccc(/C=N/c2ccc3nccnc3c2)cc1OC ZINC000006246965 170185173 /nfs/dbraw/zinc/18/51/73/170185173.db2.gz KMUWAHIITZPKQW-RGVLZGJSSA-N 0 0 293.326 3.398 10 30 CGEERN COc1ccc(C=NNc2ccc(F)cc2)c(OC)c1 ZINC000007949105 170308977 /nfs/dbraw/zinc/30/89/77/170308977.db2.gz DCRRCEKOWPPGOL-LICLKQGHSA-N 0 0 274.295 3.289 10 30 CGEERN CN(C)/C=C\C(=O)c1cc(Cl)sc1Cl ZINC000012340006 170477194 /nfs/dbraw/zinc/47/71/94/170477194.db2.gz ONHIYXCGAJUJID-ARJAWSKDSA-N 0 0 250.150 3.313 10 30 CGEERN Cc1cccc(C(=O)N(CCC#N)c2ccccc2)c1N ZINC000019833384 170883451 /nfs/dbraw/zinc/88/34/51/170883451.db2.gz SOEKTWUDCFGWGI-UHFFFAOYSA-N 0 0 279.343 3.138 10 30 CGEERN CC(C)c1ccc(Sc2cc(/C(N)=N/O)ccn2)cc1 ZINC000019847784 170897229 /nfs/dbraw/zinc/89/72/29/170897229.db2.gz GPBKEOFCNQDRME-UHFFFAOYSA-N 0 0 287.388 3.451 10 30 CGEERN C=C(C)Cn1c(C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000020157975 171039430 /nfs/dbraw/zinc/03/94/30/171039430.db2.gz IUXBHBZGZIQLBK-SNVBAGLBSA-N 0 0 288.416 3.467 10 30 CGEERN COc1ccc([C@H](C#N)NC2CCCCC2)cc1OC ZINC000020175488 171041726 /nfs/dbraw/zinc/04/17/26/171041726.db2.gz QFKWXTOTFVPTPR-AWEZNQCLSA-N 0 0 274.364 3.191 10 30 CGEERN COc1ccc([C@H](C#N)NC2CCCCC2)c(OC)c1 ZINC000020175995 171042188 /nfs/dbraw/zinc/04/21/88/171042188.db2.gz YKAMTJJSVHDRKU-HNNXBMFYSA-N 0 0 274.364 3.191 10 30 CGEERN CCCN[C@@H](C#N)c1cccc(Br)c1 ZINC000020176136 171042331 /nfs/dbraw/zinc/04/23/31/171042331.db2.gz YRZXKAQANBEJML-NSHDSACASA-N 0 0 253.143 3.013 10 30 CGEERN C=CCNC(=O)[C@H](C)Nc1cc(Cl)ccc1Cl ZINC000020313157 171145063 /nfs/dbraw/zinc/14/50/63/171145063.db2.gz LQORIWPANZMSAO-QMMMGPOBSA-N 0 0 273.163 3.096 10 30 CGEERN N#Cc1ccc(C(=O)Nc2ccc(N)cc2Cl)cc1 ZINC000022222578 171378622 /nfs/dbraw/zinc/37/86/22/171378622.db2.gz GADHHQCAIYXPOO-UHFFFAOYSA-N 0 0 271.707 3.046 10 30 CGEERN O=[N+]([O-])c1ccc(C=NNc2ccccc2[N+](=O)[O-])s1 ZINC000034859115 171889377 /nfs/dbraw/zinc/88/93/77/171889377.db2.gz VXSUKMJUKVLVJZ-GHXNOFRVSA-N 0 0 292.276 3.011 10 30 CGEERN CC[C@@H]1CSC(Nc2ccc(OC)c(Cl)c2)=N1 ZINC000035294426 172105813 /nfs/dbraw/zinc/10/58/13/172105813.db2.gz XAJWHAISNAQPEQ-MRVPVSSYSA-N 0 0 270.785 3.451 10 30 CGEERN COc1cc(C#N)ccc1Oc1ccc([C@H](C)O)cc1 ZINC000035632080 172314301 /nfs/dbraw/zinc/31/43/01/172314301.db2.gz XBOKBPNEPDETFN-NSHDSACASA-N 0 0 269.300 3.412 10 30 CGEERN CC(C)c1ccccc1Oc1ncc(N)cc1C#N ZINC000037759278 173685250 /nfs/dbraw/zinc/68/52/50/173685250.db2.gz QGRDHSJQWUZRRF-UHFFFAOYSA-N 0 0 253.305 3.451 10 30 CGEERN COc1cc(OC)cc([C@@H](C#N)NC2CCCCC2)c1 ZINC000037969501 173918391 /nfs/dbraw/zinc/91/83/91/173918391.db2.gz MIVMFKGRSLFBIG-MRXNPFEDSA-N 0 0 274.364 3.191 10 30 CGEERN CC[C@H](C)N[C@H](C#N)c1cc2c(c(Cl)c1)OCO2 ZINC000038064465 174075376 /nfs/dbraw/zinc/07/53/76/174075376.db2.gz OIHZKPZIUGAGJI-GZMMTYOYSA-N 0 0 266.728 3.021 10 30 CGEERN CC[C@@H](C)Oc1ccc2ccccc2c1C#CCO ZINC000038077818 174088217 /nfs/dbraw/zinc/08/82/17/174088217.db2.gz CTUKUEKBOATHJP-CYBMUJFWSA-N 0 0 254.329 3.361 10 30 CGEERN N#Cc1ccc(Oc2cccc([N+](=O)[O-])c2)c(F)c1 ZINC000038080324 174090083 /nfs/dbraw/zinc/09/00/83/174090083.db2.gz YCDBNRAFVAOTPZ-UHFFFAOYSA-N 0 0 258.208 3.398 10 30 CGEERN CCNC1=C(c2cc(C)ccn2)C(=O)[C@H](c2ccccc2)O1 ZINC000039127605 174163902 /nfs/dbraw/zinc/16/39/02/174163902.db2.gz PJLWIFDPHJXUQY-KRWDZBQOSA-N 0 0 294.354 3.009 10 30 CGEERN N#CC1(NC(=O)c2c(F)cccc2Cl)CCCCC1 ZINC000040216389 174204693 /nfs/dbraw/zinc/20/46/93/174204693.db2.gz JSBVCCDTCKLWSU-UHFFFAOYSA-N 0 0 280.730 3.435 10 30 CGEERN N#Cc1sc(-c2ccc(Br)o2)cc1N ZINC000044273418 175158815 /nfs/dbraw/zinc/15/88/15/175158815.db2.gz QAMSOQYVNPURGV-UHFFFAOYSA-N 0 0 269.123 3.224 10 30 CGEERN N#C[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000044808635 175257560 /nfs/dbraw/zinc/25/75/60/175257560.db2.gz PUJGNLLNVVKIIV-CQSZACIVSA-N 0 0 250.301 3.008 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000070579213 175994175 /nfs/dbraw/zinc/99/41/75/175994175.db2.gz XIPCFCRDNBYJJT-MFKMUULPSA-N 0 0 297.185 3.344 10 30 CGEERN C[C@H](Cc1cccs1)Nc1ccc(N)cc1C#N ZINC000071269915 176103597 /nfs/dbraw/zinc/10/35/97/176103597.db2.gz FQPFOEWEQCGRDF-SNVBAGLBSA-N 0 0 257.362 3.245 10 30 CGEERN C=C(C)C(=O)c1ccc(OC)c(Br)c1 ZINC000071576367 176203597 /nfs/dbraw/zinc/20/35/97/176203597.db2.gz BNNLLEGABTYQKZ-UHFFFAOYSA-N 0 0 255.111 3.217 10 30 CGEERN SCc1noc2c1COc1ccc(Br)cc1-2 ZINC000725253148 544112874 /nfs/dbraw/zinc/11/28/74/544112874.db2.gz XMJHUHGOJFZAMV-UHFFFAOYSA-N 0 0 298.161 3.426 10 30 CGEERN C[C@]1(CNC(=O)C[C@@H]2CCCCNC2=O)CCCC[C@H]1O ZINC000329539373 227586584 /nfs/dbraw/zinc/58/65/84/227586584.db2.gz MRJCXYJIZMDZQU-WOSRLPQWSA-N 0 0 296.411 3.031 10 30 CGEERN Cc1ccc(C(=O)N(C)C)cc1NCC(C)(C)CCC#N ZINC000092154880 260267885 /nfs/dbraw/zinc/26/78/85/260267885.db2.gz RCFXYPVTARRSAR-UHFFFAOYSA-N 0 0 287.407 3.439 10 30 CGEERN CC(C)CCN(CCC#N)C(=O)CCc1ccccc1O ZINC000103440325 260612889 /nfs/dbraw/zinc/61/28/89/260612889.db2.gz ZZHCTKUYLSZHKY-UHFFFAOYSA-N 0 0 288.391 3.113 10 30 CGEERN C[C@@H]1CC[C@@H](C(=O)Nc2ccccc2SCCC#N)O1 ZINC000153424784 260699801 /nfs/dbraw/zinc/69/98/01/260699801.db2.gz ONONCPHSIZSQQQ-YPMHNXCESA-N 0 0 290.388 3.198 10 30 CGEERN CC1(C)C[C@H](NC(=O)C2(C#N)CCCC2)c2ccccc2O1 ZINC000121682621 260712621 /nfs/dbraw/zinc/71/26/21/260712621.db2.gz VHYNFVVPZQAIHH-AWEZNQCLSA-N 0 0 298.386 3.489 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NCc1ccc(Cl)cc1F ZINC000160818619 262301366 /nfs/dbraw/zinc/30/13/66/262301366.db2.gz JWDBPJCTUPRICJ-TVQRCGJNSA-N 0 0 252.720 3.261 10 30 CGEERN C=C(Br)C[NH2+][C@H](C)[C@H]1COc2ccccc21 ZINC000185603207 262306397 /nfs/dbraw/zinc/30/63/97/262306397.db2.gz DFBWWDPFVRLOSR-ZYHUDNBSSA-N 0 0 282.181 3.049 10 30 CGEERN C=CCN(C)C(=O)N[C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000119574764 263276483 /nfs/dbraw/zinc/27/64/83/263276483.db2.gz LFIUBGHDSDUIAB-SWLSCSKDSA-N 0 0 258.365 3.056 10 30 CGEERN C[C@@H]1C[C@H]1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000103085229 270045382 /nfs/dbraw/zinc/04/53/82/270045382.db2.gz ZLLRJWHMJNORJB-SJKOYZFVSA-N 0 0 292.338 3.489 10 30 CGEERN CC(C)=CC(=O)c1nc(-c2ccccc2)n2c1CN(C)CC2 ZINC000089195539 275867347 /nfs/dbraw/zinc/86/73/47/275867347.db2.gz CYCNLIUSHCFLPL-UHFFFAOYSA-N 0 0 295.386 3.144 10 30 CGEERN C[C@]1(O)CC(=O)C=C(c2ccc(C(F)(F)F)cc2)C1 ZINC000040174988 278567640 /nfs/dbraw/zinc/56/76/40/278567640.db2.gz WNICRISRFVWDAF-CYBMUJFWSA-N 0 0 270.250 3.203 10 30 CGEERN CCCC1(C=O)CCN(C(=O)OC(C)(C)C)CC1 ZINC000088385732 278663825 /nfs/dbraw/zinc/66/38/25/278663825.db2.gz WBXKEXVOPZJMPT-UHFFFAOYSA-N 0 0 255.358 3.003 10 30 CGEERN Cc1ccnc(N2CCc3sccc3[C@@H]2C)c1C#N ZINC000135071478 292780588 /nfs/dbraw/zinc/78/05/88/292780588.db2.gz HZKCZNZKPKRFOQ-NSHDSACASA-N 0 0 269.373 3.447 10 30 CGEERN Nc1ccc(Cl)cc1[C@](O)(C#CC1CC1)C(F)(F)F ZINC000022054360 295352637 /nfs/dbraw/zinc/35/26/37/295352637.db2.gz KEMUGFRERPPUHB-GFCCVEGCSA-N 0 0 289.684 3.086 10 30 in-vitro CGEERN N#C[C@@H]1CCC[C@@H]1NCc1ccc(C(F)F)cc1 ZINC000150143155 327208477 /nfs/dbraw/zinc/20/84/77/327208477.db2.gz UWRAYWBOVIFHHX-STQMWFEESA-N 0 0 250.292 3.406 10 30 CGEERN C#CCN(C(=O)N[C@@H]1CCOc2ccccc21)C1CCCC1 ZINC000177310981 329185920 /nfs/dbraw/zinc/18/59/20/329185920.db2.gz ONHAMEXVWAJACK-MRXNPFEDSA-N 0 0 298.386 3.098 10 30 CGEERN C=CCCCCCN(C)C(=O)[C@H]1CCCO[C@@H]1C ZINC000187976223 329364507 /nfs/dbraw/zinc/36/45/07/329364507.db2.gz LMIMVRHOBUGBBK-KGLIPLIRSA-N 0 0 253.386 3.006 10 30 CGEERN N#CCCCCN1CC2(CCOCC2)c2ccccc21 ZINC000192290533 329430962 /nfs/dbraw/zinc/43/09/62/329430962.db2.gz VTNBWAYDAFYJTB-UHFFFAOYSA-N 0 0 270.376 3.249 10 30 CGEERN C=CCCCN(C)C(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000247061433 329875517 /nfs/dbraw/zinc/87/55/17/329875517.db2.gz UZZJFBZNBDUXIU-BRWVUGGUSA-N 0 0 284.403 3.180 10 30 CGEERN O=C(C#Cc1ccccc1)N1CC=C(c2cccs2)CC1 ZINC000081759584 330216418 /nfs/dbraw/zinc/21/64/18/330216418.db2.gz RKVJZMHSYIJLLY-UHFFFAOYSA-N 0 0 293.391 3.416 10 30 CGEERN CC(C)(C#N)CNC(=O)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000167216269 331308109 /nfs/dbraw/zinc/30/81/09/331308109.db2.gz DRBPCTKWRJITHV-VHSXEESVSA-N 0 0 276.302 3.021 10 30 CGEERN CSc1ccc(CN[C@@H]2CCC[C@@H]2C#N)s1 ZINC000336719434 335115253 /nfs/dbraw/zinc/11/52/53/335115253.db2.gz YFVKNTDNSRXNLF-MWLCHTKSSA-N 0 0 252.408 3.252 10 30 CGEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](C)COCc1ccccc1 ZINC000185700769 333146766 /nfs/dbraw/zinc/14/67/66/333146766.db2.gz PSWFPQRZHZNIEL-CABCVRRESA-N 0 0 275.392 3.310 10 30 CGEERN C[C@@H]1CC(c2noc(C3(C#N)CCOCC3)n2)C[C@@H](C)C1 ZINC000350134951 335493841 /nfs/dbraw/zinc/49/38/41/335493841.db2.gz QDTDMSCUSCNKIX-RYUDHWBXSA-N 0 0 289.379 3.181 10 30 CGEERN C=C(C)C[C@H](C)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000184917412 518635941 /nfs/dbraw/zinc/63/59/41/518635941.db2.gz CLQUJWULDCMZAC-QWHCGFSZSA-N 0 0 289.375 3.237 10 30 CGEERN Cc1noc(C2CC2)c1NC(=O)N1CC[C@@H]2CCC[C@H]21 ZINC000330248196 534386348 /nfs/dbraw/zinc/38/63/48/534386348.db2.gz MCDXPOVHIGJLKG-CMPLNLGQSA-N 0 0 275.352 3.280 10 30 CGEERN CCCCCCCNS(=O)(=O)c1ccc(F)cc1C ZINC000102461548 520060509 /nfs/dbraw/zinc/06/05/09/520060509.db2.gz LHFZZDUDRORPDU-UHFFFAOYSA-N 0 0 287.400 3.383 10 30 CGEERN CCCCN(CC)c1cc(Cl)ccc1/C(N)=N/O ZINC000062789304 520481039 /nfs/dbraw/zinc/48/10/39/520481039.db2.gz CVIHEGWVICVOCG-UHFFFAOYSA-N 0 0 269.776 3.061 10 30 CGEERN CC[C@@H]1CO[C@@H](C)CN1[C@@H](CC#N)c1ccccc1 ZINC000055020341 523508573 /nfs/dbraw/zinc/50/85/73/523508573.db2.gz IGUNXRBVVYGDNS-IMJJTQAJSA-N 0 0 258.365 3.141 10 30 CGEERN CN(C(=O)c1ccc2cc[nH]c2c1)c1ccc(C#N)cc1 ZINC000111399695 523940019 /nfs/dbraw/zinc/94/00/19/523940019.db2.gz HKAGLEDHHDWUGE-UHFFFAOYSA-N 0 0 275.311 3.316 10 30 CGEERN C[C@@H]1CCCC[C@H]1Oc1cc(Cl)ccc1/C(N)=N/O ZINC000062789622 524178935 /nfs/dbraw/zinc/17/89/35/524178935.db2.gz LZZBTIJYKBVUOY-BXKDBHETSA-N 0 0 282.771 3.392 10 30 CGEERN C[C@H]1CCC[C@H](Sc2ccccc2/C(N)=N/O)C1 ZINC000054691165 524211647 /nfs/dbraw/zinc/21/16/47/524211647.db2.gz SJJBIAYQUWTUDJ-QWRGUYRKSA-N 0 0 264.394 3.452 10 30 CGEERN C[C@@H]1CCC[C@H](SC[C@@](C)(C#N)NC2CC2)C1 ZINC000054694954 524412876 /nfs/dbraw/zinc/41/28/76/524412876.db2.gz GVLAPIIDBLNBBF-KWCYVHTRSA-N 0 0 252.427 3.333 10 30 CGEERN Cc1cccc(NC(=O)[C@@H](C#N)c2ccccc2)c1 ZINC000061614215 524642590 /nfs/dbraw/zinc/64/25/90/524642590.db2.gz GKGSCWFYHVPAMS-HNNXBMFYSA-N 0 0 250.301 3.241 10 30 CGEERN Cc1cccc(NC(=O)[C@H](C#N)c2ccccc2)c1 ZINC000061614216 524653451 /nfs/dbraw/zinc/65/34/51/524653451.db2.gz GKGSCWFYHVPAMS-OAHLLOKOSA-N 0 0 250.301 3.241 10 30 CGEERN Cc1cc(CSCCOc2ccccc2C#N)no1 ZINC000101585307 524816385 /nfs/dbraw/zinc/81/63/85/524816385.db2.gz LKCLRDHLXNOLGJ-UHFFFAOYSA-N 0 0 274.345 3.167 10 30 CGEERN N#Cc1c(Cl)cccc1N(CCO)C1CCCCC1 ZINC000052907409 526519210 /nfs/dbraw/zinc/51/92/10/526519210.db2.gz LEHPWJVRSSXOLP-UHFFFAOYSA-N 0 0 278.783 3.343 10 30 CGEERN N#Cc1cc(F)cc(C#Cc2csc(Cl)n2)c1 ZINC000066077329 526557626 /nfs/dbraw/zinc/55/76/26/526557626.db2.gz PPAQOEIJUZVTEC-UHFFFAOYSA-N 0 0 262.696 3.207 10 30 CGEERN C=CCSCCNc1nn2cc(C(C)(C)C)nc2s1 ZINC000301127104 527006436 /nfs/dbraw/zinc/00/64/36/527006436.db2.gz ZWTIQICWRGAWAP-UHFFFAOYSA-N 0 0 296.465 3.419 10 30 CGEERN O=C(C=Cc1ccc(Cl)c(Cl)c1)Nc1nc[nH]n1 ZINC000057989112 527504240 /nfs/dbraw/zinc/50/42/40/527504240.db2.gz XZARQJASPFENRE-DUXPYHPUSA-N 0 0 283.118 3.413 10 30 CGEERN C=CCN(CC(F)(F)F)C(=O)c1ccc(F)c(C)c1 ZINC000103384744 527588538 /nfs/dbraw/zinc/58/85/38/527588538.db2.gz ZOHVDGOLUDVUNH-UHFFFAOYSA-N 0 0 275.245 3.325 10 30 CGEERN C#CCN(CC#C)C(=O)[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000175723447 617645163 /nfs/dbraw/zinc/64/51/63/617645163.db2.gz ZPUSNFAJJMGOJS-MSOLQXFVSA-N 0 0 279.383 3.009 10 30 CGEERN C[C@@H]([NH2+]Cc1cccc(F)c1[O-])c1ccc(C#N)cc1 ZINC000164968704 617731138 /nfs/dbraw/zinc/73/11/38/617731138.db2.gz GZEJSUQQIACGSO-LLVKDONJSA-N 0 0 270.307 3.254 10 30 CGEERN C/C=C1/S/C(=N\c2cccc(Cl)c2C)NC1=O ZINC000096476168 618792729 /nfs/dbraw/zinc/79/27/29/618792729.db2.gz JDLXKZYPDLYJMV-XCVCLJGOSA-N 0 0 266.753 3.403 10 30 CGEERN N#CC1(C#N)[C@@H]2C=CC=Cc3ccccc3[C@H]2C1(C#N)C#N ZINC000222051206 622817302 /nfs/dbraw/zinc/81/73/02/622817302.db2.gz RIFRXEUHYHKFPK-HZPDHXFCSA-N 0 0 282.306 3.050 10 30 CGEERN C#CCOc1ccc(F)cc1NCc1ccccc1O ZINC000174535332 623403299 /nfs/dbraw/zinc/40/32/99/623403299.db2.gz GIEYWBVSEBZLOK-UHFFFAOYSA-N 0 0 271.291 3.155 10 30 CGEERN C=CCCC[C@@H](C)NC(=O)N[C@@H]1COc2ccccc21 ZINC000180637343 624762512 /nfs/dbraw/zinc/76/25/12/624762512.db2.gz IDXOZNTXRPMFKT-TZMCWYRMSA-N 0 0 274.364 3.164 10 30 CGEERN CC1(C)Cc2cc(CN[C@H]3CCC[C@H]3C#N)ccc2O1 ZINC000071170412 625061781 /nfs/dbraw/zinc/06/17/81/625061781.db2.gz UCUUHJZLKZTZQS-ZFWWWQNUSA-N 0 0 270.376 3.182 10 30 CGEERN C=CCc1cc(OCC)ccc1OC(=O)[C@@H]1CC[C@H](C)O1 ZINC000121424797 634561290 /nfs/dbraw/zinc/56/12/90/634561290.db2.gz GDZRZFFCWVGZIG-LRDDRELGSA-N 0 0 290.359 3.287 10 30 CGEERN CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@H](S)CC[C@@H]21 ZINC000757159524 630586802 /nfs/dbraw/zinc/58/68/02/630586802.db2.gz MZOGBMOVIZHAMN-VWYCJHECSA-N 0 0 257.399 3.094 10 30 CGEERN SCc1c(Br)cncc1Br ZINC000757162158 630587105 /nfs/dbraw/zinc/58/71/05/630587105.db2.gz BSWMBAVVGGHDGP-UHFFFAOYSA-N 0 0 282.988 3.036 10 30 CGEERN CCCCCCCC(=O)N1CCC[C@@H]1CCCO ZINC000107367007 636528143 /nfs/dbraw/zinc/52/81/43/636528143.db2.gz JHXIWFNBOVNWGL-CQSZACIVSA-N 0 0 255.402 3.110 10 30 CGEERN C#CCCCOC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109185266 636990866 /nfs/dbraw/zinc/99/08/66/636990866.db2.gz ZGBHOTPLWSBUMH-NWDGAFQWSA-N 0 0 264.271 3.025 10 30 CGEERN C/C(=C\C(=O)N[C@H](C)C#N)c1ccc(C(F)(F)F)cc1 ZINC000195442184 640586548 /nfs/dbraw/zinc/58/65/48/640586548.db2.gz DHVPTJUXYRXYBB-TTZKWOQHSA-N 0 0 282.265 3.137 10 30 CGEERN COc1ccc(/C=C\C(=O)c2cc(O)ccc2OC)cc1 ZINC000588410330 799689728 /nfs/dbraw/zinc/68/97/28/799689728.db2.gz DGWYRAHFSWPTEI-UITAMQMPSA-N 0 0 284.311 3.306 10 30 CGEERN COc1ccc(O)cc1C(=O)/C=C\c1ccc(C#N)cc1 ZINC000588409677 799689951 /nfs/dbraw/zinc/68/99/51/799689951.db2.gz MJSRGAVRRSKOOA-VURMDHGXSA-N 0 0 279.295 3.169 10 30 CGEERN Cc1c(C(=O)/C=C\c2cccc3cnccc23)cnn1C ZINC000588423259 799692648 /nfs/dbraw/zinc/69/26/48/799692648.db2.gz WKTHNCGBPIKUNR-SREVYHEPSA-N 0 0 277.327 3.173 10 30 CGEERN Cc1cc([N+](=O)[O-])ccc1/C=C\C(=O)c1ccncc1 ZINC000588450029 799695828 /nfs/dbraw/zinc/69/58/28/799695828.db2.gz FSKVWIBOFWSSGO-HYXAFXHYSA-N 0 0 268.272 3.194 10 30 CGEERN N#Cc1ccccc1/C=C\C(=O)OCCC[C@H]1CCCO1 ZINC000588448819 799696046 /nfs/dbraw/zinc/69/60/46/799696046.db2.gz NYYNRZGJPZIFEM-ZBTGYSDGSA-N 0 0 285.343 3.074 10 30 CGEERN C=C(C)[C@@H]1CC=C(COC(=O)/C=C\c2ccncn2)CC1 ZINC000588539598 799708619 /nfs/dbraw/zinc/70/86/19/799708619.db2.gz YSHGUDVCUMYAEG-ZPIQOJFGSA-N 0 0 284.359 3.336 10 30 CGEERN C=C[C@](C)(CCOC)COC(=O)/C=C\C(C)(C)C ZINC000588552060 799710708 /nfs/dbraw/zinc/71/07/08/799710708.db2.gz HHEGODKMRZPXSB-WHLNPGIBSA-N 0 0 254.370 3.361 10 30 CGEERN CC(C)(C#N)CCCC[N@@H+]1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC000711649324 977562449 /nfs/dbraw/zinc/56/24/49/977562449.db2.gz MNZPNGONNNXERT-CJNGLKHVSA-N 0 0 278.396 3.036 10 30 CGEERN CCc1nnc(N[C@H](C)c2ccco2)c(C#N)c1CC ZINC000124905483 187160723 /nfs/dbraw/zinc/16/07/23/187160723.db2.gz RTIBBHMBJCWWRH-SNVBAGLBSA-N 0 0 270.336 3.239 10 30 CGEERN Cc1ccc(/C=N/[C@H](CO)Cc2ccccc2)cc1 ZINC000003623340 344858500 /nfs/dbraw/zinc/85/85/00/344858500.db2.gz DMNGGVDWAASFPT-BOFQVRIASA-N 0 0 253.345 3.018 10 30 CGEERN CCCCCCCCNC(=O)c1cccc(NC=O)c1O ZINC000038155591 344954887 /nfs/dbraw/zinc/95/48/87/344954887.db2.gz PLPCDNOLAWDXHY-UHFFFAOYSA-N 0 0 292.379 3.051 10 30 CGEERN N#Cc1nccnc1N[C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000078360022 345603762 /nfs/dbraw/zinc/60/37/62/345603762.db2.gz BXCAGKMCCTVVDN-UONOGXRCSA-N 0 0 282.322 3.236 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1cc2sccc2s1 ZINC000093655733 345884088 /nfs/dbraw/zinc/88/40/88/345884088.db2.gz AQFDIXBDGJZKMA-BDAKNGLRSA-N 0 0 276.386 3.385 10 30 CGEERN CC(C)[C@H](CC1CCCCC1)C(=O)N[C@H](C)C#N ZINC000115347508 345971430 /nfs/dbraw/zinc/97/14/30/345971430.db2.gz PYMBEGTVDZFXKB-OCCSQVGLSA-N 0 0 250.386 3.257 10 30 CGEERN COc1ccc2c(c1)CCC[C@]2(Br)C#N ZINC000127674392 346034191 /nfs/dbraw/zinc/03/41/91/346034191.db2.gz JBYFZXBPKXTIAB-LBPRGKRZSA-N 0 0 266.138 3.145 10 30 CGEERN CC[C@@H](C#N)C(=O)c1ccc(C)cc1Br ZINC000129537914 346049861 /nfs/dbraw/zinc/04/98/61/346049861.db2.gz WRWYEACCVBAENI-VIFPVBQESA-N 0 0 266.138 3.490 10 30 CGEERN N#Cc1cc(Br)ccc1NCCCF ZINC000132720218 346072974 /nfs/dbraw/zinc/07/29/74/346072974.db2.gz DYQIJNYBFJTHJZ-UHFFFAOYSA-N 0 0 257.106 3.092 10 30 CGEERN CC[NH+](CC)C/C(=N/[O-])c1cccc2ccccc21 ZINC000148288947 346128231 /nfs/dbraw/zinc/12/82/31/346128231.db2.gz YJYUDOFPZGFNPU-MSUUIHNZSA-N 0 0 256.349 3.360 10 30 CGEERN N#C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc2cccnc21 ZINC000159418778 346168137 /nfs/dbraw/zinc/16/81/37/346168137.db2.gz XYYZNVPCVGCVJT-HOCLYGCPSA-N 0 0 265.360 3.407 10 30 CGEERN C/C=C1\CN2[C@H]3C[C@@H]1[C@H](C=O)[C@@H]2Cc1c2ccccc2[nH]c13 ZINC000164339920 346182309 /nfs/dbraw/zinc/18/23/09/346182309.db2.gz MHASSCPGKAMILD-DBPFMDJSSA-N 0 0 292.382 3.231 10 30 CGEERN C#CCCC(=O)c1ccc(Br)cc1F ZINC000166081736 346186256 /nfs/dbraw/zinc/18/62/56/346186256.db2.gz ZYSPROGBMWFJTF-UHFFFAOYSA-N 0 0 255.086 3.184 10 30 CGEERN COC(=O)CC1=CC(=O)C[C@@H](C2CCCCC2)C1 ZINC000205489873 346283182 /nfs/dbraw/zinc/28/31/82/346283182.db2.gz YAEMJJURHJGLOR-ZDUSSCGKSA-N 0 0 250.338 3.035 10 30 CGEERN COc1ccc2c(c1)C(=O)/C(=C/c1cccc(OC)c1)O2 ZINC000219388027 346294722 /nfs/dbraw/zinc/29/47/22/346294722.db2.gz GYTBEOWIKWVGRB-SXGWCWSVSA-N 0 0 282.295 3.320 10 30 CGEERN Nc1cc(C(F)(F)F)cc(C#Cc2ccccc2)n1 ZINC000215822858 346288869 /nfs/dbraw/zinc/28/88/69/346288869.db2.gz OFZNUYRKIOAYIY-UHFFFAOYSA-N 0 0 262.234 3.082 10 30 CGEERN C[C@@]1(c2ccc(-c3ccccc3)cc2)O[C@H](O)C=CC1=O ZINC000216233421 346289951 /nfs/dbraw/zinc/28/99/51/346289951.db2.gz LBGYECMFKCUJMY-ROUUACIJSA-N 0 0 280.323 3.043 10 30 CGEERN N#C[C@@H](c1sccc1Br)N1CCCC1 ZINC000228015209 346312528 /nfs/dbraw/zinc/31/25/28/346312528.db2.gz NGYGLGARWQJUQV-VIFPVBQESA-N 0 0 271.183 3.171 10 30 CGEERN C#C[C@@H](C)Nc1cc(F)c(Br)cc1F ZINC000232165336 346324421 /nfs/dbraw/zinc/32/44/21/346324421.db2.gz FYUXTMNIPFSYDF-ZCFIWIBFSA-N 0 0 260.081 3.161 10 30 CGEERN Cc1cc(Br)cc(NC[C@H](C)C#N)c1 ZINC000232068188 346324995 /nfs/dbraw/zinc/32/49/95/346324995.db2.gz GJDPVOVVCJUKGX-SECBINFHSA-N 0 0 253.143 3.329 10 30 CGEERN CCO[C@@]1(C#N)C=CC(N=Cc2ccccc2)=CC1 ZINC000257354106 346400201 /nfs/dbraw/zinc/40/02/01/346400201.db2.gz VTRLAFZROKKXDX-INIZCTEOSA-N 0 0 252.317 3.248 10 30 CGEERN O=[N+]([O-])c1ccc(C=Nc2cc([N+](=O)[O-])ccc2F)cc1 ZINC000254396314 346395029 /nfs/dbraw/zinc/39/50/29/346395029.db2.gz PRFCNGYBPOMYNU-UHFFFAOYSA-N 0 0 289.222 3.393 10 30 CGEERN N#C[C@]1(NCc2ccccc2)CCCC12CCOCC2 ZINC000307724230 346464832 /nfs/dbraw/zinc/46/48/32/346464832.db2.gz XPSOLJWEETYZQD-QGZVFWFLSA-N 0 0 270.376 3.019 10 30 CGEERN Nc1cc(OC(F)(F)F)c(F)c(C(F)(F)F)c1 ZINC000514264280 346636196 /nfs/dbraw/zinc/63/61/96/346636196.db2.gz ARIJPSUWKSFZES-UHFFFAOYSA-N 0 0 263.112 3.325 10 30 CGEERN N#Cc1cc(C(F)(F)F)c(N)cc1C(F)(F)F ZINC000514264287 346636479 /nfs/dbraw/zinc/63/64/79/346636479.db2.gz FRHSDDYZJJCLPY-UHFFFAOYSA-N 0 0 254.133 3.178 10 30 CGEERN CC(C)(C)OC(=O)N[C@H]1CC[C@H](CCC#N)CC1 ZINC000514277780 346637938 /nfs/dbraw/zinc/63/79/38/346637938.db2.gz JTEKKUALVYLNPF-HAQNSBGRSA-N 0 0 252.358 3.374 10 30 CGEERN N#Cc1ccc(C=O)c(C(F)(F)F)c1C(F)(F)F ZINC000514279656 346638033 /nfs/dbraw/zinc/63/80/33/346638033.db2.gz HRYGBHRTHITCJB-UHFFFAOYSA-N 0 0 267.128 3.408 10 30 CGEERN C[C@@]1(C=O)c2ccccc2[C@](C)(C=O)c2ccccc21 ZINC000584640644 346702795 /nfs/dbraw/zinc/70/27/95/346702795.db2.gz LCHTYCQTRYUYKG-HDICACEKSA-N 0 0 264.324 3.010 10 30 CGEERN C=C(C)c1cnc2nc(-c3cc(N)ccc3F)cn2c1 ZINC000584646004 346703419 /nfs/dbraw/zinc/70/34/19/346703419.db2.gz JPBCNCSHUIRYMS-UHFFFAOYSA-N 0 0 268.295 3.151 10 30 CGEERN CN(C)/C=C1\C(=O)CC[C@H]1c1ccc(Cl)c(F)c1 ZINC000584644658 346703466 /nfs/dbraw/zinc/70/34/66/346703466.db2.gz PRYIHEKZKQFYFC-DFYQSJSGSA-N 0 0 267.731 3.371 10 30 CGEERN Cc1ccc([C@@H](O)c2c(F)cc(C#N)cc2F)c(F)c1 ZINC000584659942 346705697 /nfs/dbraw/zinc/70/56/97/346705697.db2.gz CLMZYKCVNWDENZ-OAHLLOKOSA-N 0 0 277.245 3.366 10 30 CGEERN COc1ccc([C@H](O)c2c(F)cc(C#N)cc2F)c(F)c1 ZINC000584659978 346705790 /nfs/dbraw/zinc/70/57/90/346705790.db2.gz LICOEQXZIUTYET-HNNXBMFYSA-N 0 0 293.244 3.066 10 30 CGEERN COc1cc([C@H](C#N)c2ccccc2C#N)ccc1[N+](=O)[O-] ZINC000584594715 346686463 /nfs/dbraw/zinc/68/64/63/346686463.db2.gz WNJNSASERZRZTC-AWEZNQCLSA-N 0 0 293.282 3.131 10 30 CGEERN C/C=C(\C(=O)OCC)C(=O)c1ccc(Cl)cc1 ZINC000584596718 346687713 /nfs/dbraw/zinc/68/77/13/346687713.db2.gz JEADMQCUWHKXKI-JYOAFUTRSA-N 0 0 252.697 3.032 10 30 CGEERN O=C1/C(=C\c2ccccc2)N2[C@H]3CCC[C@H]2CC1C3 ZINC000584624160 346696257 /nfs/dbraw/zinc/69/62/57/346696257.db2.gz CSIADYKQCKFLJR-AAHBMTESSA-N 0 0 253.345 3.243 10 30 CGEERN C=C(Br)[C@@H]1CN=C(c2cccc(C)c2)O1 ZINC000584637015 346700915 /nfs/dbraw/zinc/70/09/15/346700915.db2.gz GHEOYHDNUTWPID-NSHDSACASA-N 0 0 266.138 3.049 10 30 CGEERN C[C@H]1C[C@H](C)CC(CC=O)(NC(=O)OC(C)(C)C)C1 ZINC000616568284 348833800 /nfs/dbraw/zinc/83/38/00/348833800.db2.gz IEWSKGGTOGMKRO-RYUDHWBXSA-N 0 0 269.385 3.295 10 30 CGEERN CC(=O)N1CC[C@H](c2ccc(C#N)cc2)c2ccccc21 ZINC000616586954 348837206 /nfs/dbraw/zinc/83/72/06/348837206.db2.gz CYKBZPWQYZVVLQ-MRXNPFEDSA-N 0 0 276.339 3.447 10 30 CGEERN CC(C)(C)OC(=O)N[C@H](CC=O)c1cccc(Cl)c1 ZINC000091692773 180228838 /nfs/dbraw/zinc/22/88/38/180228838.db2.gz VKVYYFUIVFEUNZ-GFCCVEGCSA-N 0 0 283.755 3.495 10 30 CGEERN CC(C)COc1ccc([C@@H](C)NC(=O)C(C)(C)C#N)cc1 ZINC000159871802 188445606 /nfs/dbraw/zinc/44/56/06/188445606.db2.gz UNOPIEDGIMQQOO-CYBMUJFWSA-N 0 0 288.391 3.448 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NCc1ccc2c(c1)OCCCCO2 ZINC000333608126 283056878 /nfs/dbraw/zinc/05/68/78/283056878.db2.gz WFGVYOQNHUJOCP-GJZGRUSLSA-N 0 0 286.375 3.020 10 30 CGEERN N#Cc1ccc(CNc2cnn(-c3ccccc3F)c2)o1 ZINC000124786683 138378267 /nfs/dbraw/zinc/37/82/67/138378267.db2.gz YMDWSDQGVUBQMU-UHFFFAOYSA-N 0 0 282.278 3.088 10 30 CGEERN Cc1cc(C)cc(OCCN(C)c2ccc(C#N)nc2)c1 ZINC000301607948 201092047 /nfs/dbraw/zinc/09/20/47/201092047.db2.gz ZRXWWSZTFDRCNQ-UHFFFAOYSA-N 0 0 281.359 3.085 10 30 CGEERN COc1cc(F)cc(Nc2cc(C)nc(C)c2C#N)c1 ZINC000301782857 201193882 /nfs/dbraw/zinc/19/38/82/201193882.db2.gz NQNDWRKOZMDWNN-UHFFFAOYSA-N 0 0 271.295 3.461 10 30 CGEERN Cc1cc(NCc2nc3c(cccc3C)[nH]2)c(C#N)c(C)n1 ZINC000301861632 201237259 /nfs/dbraw/zinc/23/72/59/201237259.db2.gz DUCDCTVKHOTLKT-UHFFFAOYSA-N 0 0 291.358 3.367 10 30 CGEERN CCOC(=O)c1cccc(CNc2ccc(F)cc2C#N)c1 ZINC000302490650 201462504 /nfs/dbraw/zinc/46/25/04/201462504.db2.gz ZNNLBPZNYJGVHK-UHFFFAOYSA-N 0 0 298.317 3.486 10 30 CGEERN C[C@@H](CCC(C)(C)C)Nc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000302749965 201538562 /nfs/dbraw/zinc/53/85/62/201538562.db2.gz UYSAPXUYVLGSQQ-JTQLQIEISA-N 0 0 276.340 3.488 10 30 CGEERN Cc1ccc(/C=N/NC(=S)Nc2ccccc2)s1 ZINC000000491671 368378975 /nfs/dbraw/zinc/37/89/75/368378975.db2.gz FQSKVHIDRRGHCB-NTEUORMPSA-N 0 0 275.402 3.377 10 30 CGEERN Cc1ccc(S(=O)(=O)O[C@H]2C[C@H]3C[C@@H]2CCC3)cc1 ZINC000004368451 368544573 /nfs/dbraw/zinc/54/45/73/368544573.db2.gz MCBVFWKOSBKWCJ-IPYPFGDCSA-N 0 0 280.389 3.279 10 30 CGEERN O=[N+]([O-])c1ccccc1N=NCc1ccc(F)cc1 ZINC000012574393 368619348 /nfs/dbraw/zinc/61/93/48/368619348.db2.gz UXTISGDPUXNUCT-OQLLNIDSSA-N 0 0 259.240 3.180 10 30 CGEERN C=C(Br)C[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000125094322 370931304 /nfs/dbraw/zinc/93/13/04/370931304.db2.gz PBSNWVBXEQQIEA-SNVBAGLBSA-N 0 0 298.180 3.017 10 30 CGEERN C[C@@H](NC(=O)CSCC#N)c1ccc2ccccc2c1 ZINC000033020033 368956280 /nfs/dbraw/zinc/95/62/80/368956280.db2.gz WBHAHPBBWRZLLT-GFCCVEGCSA-N 0 0 284.384 3.274 10 30 CGEERN CCOc1ccc(CN=Nc2ccccc2[N+](=O)[O-])cc1 ZINC000035002811 368988379 /nfs/dbraw/zinc/98/83/79/368988379.db2.gz RANNIQZSDIVBEG-WJDWOHSUSA-N 0 0 285.303 3.440 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1cc(Cl)ccc1Cl ZINC000061888645 369609636 /nfs/dbraw/zinc/60/96/36/369609636.db2.gz NWQNEDBGMMBFKQ-QPUJVOFHSA-N 0 0 283.158 3.415 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000061888707 369609654 /nfs/dbraw/zinc/60/96/54/369609654.db2.gz OLDVKGRBPBJEBA-ZYHUDNBSSA-N 0 0 282.265 3.127 10 30 CGEERN Cc1[nH]c2ccc(C(=O)N[C@@H]3CCC[C@@H]3C#N)cc2c1C ZINC000061890870 369611255 /nfs/dbraw/zinc/61/12/55/369611255.db2.gz MKKREKAMZMLCFZ-UKRRQHHQSA-N 0 0 281.359 3.207 10 30 CGEERN COc1cccc(/C=N\c2cc([N+](=O)[O-])ccc2F)c1O ZINC000100485123 370279800 /nfs/dbraw/zinc/27/98/00/370279800.db2.gz SABODOOCZLGHFZ-PXNMLYILSA-N 0 0 290.250 3.199 10 30 CGEERN CC(C)C(O)=CC(=O)C(F)(F)C(F)(F)C(F)(F)F ZINC000111909848 370409433 /nfs/dbraw/zinc/40/94/33/370409433.db2.gz SRYIDYXKUUXFNI-UHFFFAOYSA-N 0 0 282.155 3.004 10 30 CGEERN Cc1ccccc1[C@@H](C)Nc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000235260323 189826653 /nfs/dbraw/zinc/82/66/53/189826653.db2.gz XOERWUDDJQWJNN-LLVKDONJSA-N 0 0 282.303 3.343 10 30 CGEERN COc1ccccc1CNc1cc(C)nc(C)c1C#N ZINC000133748619 371277673 /nfs/dbraw/zinc/27/76/73/371277673.db2.gz DYTDRSHYYQFHEP-UHFFFAOYSA-N 0 0 267.332 3.191 10 30 CGEERN CCn1ccnc1CSCc1ccc(OC)c(C#N)c1 ZINC000161699037 372347265 /nfs/dbraw/zinc/34/72/65/372347265.db2.gz UYNGXFOTBFVYNG-UHFFFAOYSA-N 0 0 287.388 3.217 10 30 CGEERN Cc1ccc([C@@](C)(O)CNc2c(F)cc(C#N)cc2F)o1 ZINC000301405841 373772119 /nfs/dbraw/zinc/77/21/19/373772119.db2.gz GPOYUTGMGZAOQU-HNNXBMFYSA-N 0 0 292.285 3.058 10 30 CGEERN COc1cc(C=O)ccc1Oc1c(C#N)cccc1C#N ZINC000302827500 373977115 /nfs/dbraw/zinc/97/71/15/373977115.db2.gz HXGNMQOIQAVOMA-UHFFFAOYSA-N 0 0 278.267 3.043 10 30 CGEERN Cc1ccc2c(c1)[C@@H](NC(=O)C1(C#N)CCCC1)[C@@H](C)C2 ZINC000182192699 374232375 /nfs/dbraw/zinc/23/23/75/374232375.db2.gz BNIGLLSYXUXTMB-BBRMVZONSA-N 0 0 282.387 3.429 10 30 CGEERN C[C@@H]1CCCCCN1C(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000328742231 374378528 /nfs/dbraw/zinc/37/85/28/374378528.db2.gz MSBITKUKHVHSRN-OLZOCXBDSA-N 0 0 293.411 3.207 10 30 CGEERN C[C@H](NC(=O)C[C@@H]1CCCCC(=O)N1)C1CCOCC1 ZINC000328840162 374388011 /nfs/dbraw/zinc/38/80/11/374388011.db2.gz ULENHHHMQDGDHD-AAEUAGOBSA-N 0 0 282.384 3.047 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@]12CCOc1ccccc12 ZINC000330128758 374449791 /nfs/dbraw/zinc/44/97/91/374449791.db2.gz JOPKUCZCRJWBFL-OWCBBSPXSA-N 0 0 296.370 3.376 10 30 CGEERN Cc1nc(N2CCC(c3nccs3)CC2)ccc1C#N ZINC000488056366 375301689 /nfs/dbraw/zinc/30/16/89/375301689.db2.gz YKVIOCIZUGWCJU-UHFFFAOYSA-N 0 0 284.388 3.102 10 30 CGEERN C/C=C/C[C@H](COCc1ccccc1)OC/C=N\O ZINC000216144346 376158143 /nfs/dbraw/zinc/15/81/43/376158143.db2.gz SDFIKCQYVPRDBJ-OHGQHHCDSA-N 0 0 263.337 3.015 10 30 CGEERN N#Cc1nc(NC2CCCCCCC2)ccc1[N+](=O)[O-] ZINC000236420110 376665032 /nfs/dbraw/zinc/66/50/32/376665032.db2.gz HSDQSCRDGFFIBE-UHFFFAOYSA-N 0 0 274.324 3.386 10 30 CGEERN CCn1ccnc1CSCCOc1cccc(C#N)c1 ZINC000083632866 249007143 /nfs/dbraw/zinc/00/71/43/249007143.db2.gz MFUOTIMFWPRJGE-UHFFFAOYSA-N 0 0 287.388 3.087 10 30 CGEERN N#Cc1ccc(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)cc1Cl ZINC000249923247 377542495 /nfs/dbraw/zinc/54/24/95/377542495.db2.gz WLIUECZGSUSQPY-JGPRNRPPSA-N 0 0 260.724 3.196 10 30 CGEERN C[C@H](N[C@@H]1CCC[C@H]1C#N)c1ccc(F)c(F)c1 ZINC000251745720 377595304 /nfs/dbraw/zinc/59/53/04/377595304.db2.gz PYMFYTIKACZKQC-NURSFMCSSA-N 0 0 250.292 3.308 10 30 CGEERN COC(=O)Cc1cc(C#N)cc(F)c1SC(F)(F)F ZINC000575390747 377900169 /nfs/dbraw/zinc/90/01/69/377900169.db2.gz XJADEZFKJRIBPX-UHFFFAOYSA-N 0 0 293.241 3.025 10 30 CGEERN N#Cc1c(C=O)cc(C(F)(F)F)cc1C(F)(F)F ZINC000575341223 377881778 /nfs/dbraw/zinc/88/17/78/377881778.db2.gz OSPKZAJZACBECF-UHFFFAOYSA-N 0 0 267.128 3.408 10 30 CGEERN N#Cc1c(C(F)(F)F)ccc(C(F)(F)F)c1CO ZINC000575341239 377882208 /nfs/dbraw/zinc/88/22/08/377882208.db2.gz PHALIRGZNVZSTA-UHFFFAOYSA-N 0 0 269.144 3.088 10 30 CGEERN COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1C#N ZINC000575341323 377882348 /nfs/dbraw/zinc/88/23/48/377882348.db2.gz UFOQKFKOIARTIR-UHFFFAOYSA-N 0 0 297.154 3.382 10 30 CGEERN CCOC(=O)c1cc(C#N)c(C(F)(F)F)cc1CC ZINC000575390171 377898873 /nfs/dbraw/zinc/89/88/73/377898873.db2.gz YMEISFMKVGUMCV-UHFFFAOYSA-N 0 0 271.238 3.316 10 30 CGEERN COC(=O)c1cc(C(F)(F)F)cc(C(F)F)c1C#N ZINC000575344257 377884705 /nfs/dbraw/zinc/88/47/05/377884705.db2.gz YYOFKOMVEYJANN-UHFFFAOYSA-N 0 0 279.164 3.301 10 30 CGEERN CCOC(=O)Cc1c(C#N)ccc(Cl)c1C(F)(F)F ZINC000575383304 377893687 /nfs/dbraw/zinc/89/36/87/377893687.db2.gz OLPXRDWLKNRVDT-UHFFFAOYSA-N 0 0 291.656 3.336 10 30 CGEERN CCOC(=O)c1cc(C(F)(F)F)cc(C#N)c1Cl ZINC000575383303 377893738 /nfs/dbraw/zinc/89/37/38/377893738.db2.gz OKNMQTFUAPJPDX-UHFFFAOYSA-N 0 0 277.629 3.407 10 30 CGEERN CCOC(=O)Cc1cc(C#N)cc(C(F)(F)F)c1Cl ZINC000575383545 377895053 /nfs/dbraw/zinc/89/50/53/377895053.db2.gz ZPRHLWAMIAWWOH-UHFFFAOYSA-N 0 0 291.656 3.336 10 30 CGEERN COC(=O)Cc1cc(C(F)(F)F)cc(C(F)F)c1C#N ZINC000575387383 377896004 /nfs/dbraw/zinc/89/60/04/377896004.db2.gz LPIDRUWFCSLEHR-UHFFFAOYSA-N 0 0 293.191 3.230 10 30 CGEERN COC(=O)c1ccc(C(F)F)c(OC(F)(F)F)c1C#N ZINC000575387748 377896126 /nfs/dbraw/zinc/89/61/26/377896126.db2.gz VQTXEHDRSIGZDK-UHFFFAOYSA-N 0 0 295.163 3.181 10 30 CGEERN COC(=O)Cc1ccc(C(F)(F)F)c(C#N)c1C(F)F ZINC000575387644 377896294 /nfs/dbraw/zinc/89/62/94/377896294.db2.gz UBDXUEPQWSOREU-UHFFFAOYSA-N 0 0 293.191 3.230 10 30 CGEERN C=C1CCN(c2nc(Br)cs2)CC1 ZINC000575594537 377919070 /nfs/dbraw/zinc/91/90/70/377919070.db2.gz JALVUFCMWLLAJU-UHFFFAOYSA-N 0 0 259.172 3.062 10 30 CGEERN CCc1cc(CC#N)c(C#N)c(OC(F)(F)F)c1 ZINC000575649295 377927283 /nfs/dbraw/zinc/92/72/83/377927283.db2.gz QHNHONUGXMMRSW-UHFFFAOYSA-N 0 0 254.211 3.085 10 30 CGEERN N#Cc1ccc(C(F)(F)F)c(OC(F)F)c1F ZINC000575660106 377936119 /nfs/dbraw/zinc/93/61/19/377936119.db2.gz MKEAQXOONYMSJL-UHFFFAOYSA-N 0 0 255.117 3.318 10 30 CGEERN N#Cc1c(OC(F)F)ccc(F)c1C(F)(F)F ZINC000575660802 377937201 /nfs/dbraw/zinc/93/72/01/377937201.db2.gz YXUDAIIUYPXKGM-UHFFFAOYSA-N 0 0 255.117 3.318 10 30 CGEERN Cc1cc(OC(F)F)c(C#N)c(C(F)(F)F)c1 ZINC000575664333 377939851 /nfs/dbraw/zinc/93/98/51/377939851.db2.gz DTBLZNRADULBHW-UHFFFAOYSA-N 0 0 251.154 3.487 10 30 CGEERN CCOC(=O)c1cc(C#N)c(OCC)cc1C(F)(F)F ZINC000575670469 377947754 /nfs/dbraw/zinc/94/77/54/377947754.db2.gz IISMMJLETIKDHV-UHFFFAOYSA-N 0 0 287.237 3.152 10 30 CGEERN CCOc1cc(CC)c(OC(F)(F)F)cc1C#N ZINC000575671828 377948698 /nfs/dbraw/zinc/94/86/98/377948698.db2.gz OZMQHOUTFQSMKK-UHFFFAOYSA-N 0 0 259.227 3.418 10 30 CGEERN COc1c(Br)cc(Cl)cc1CC#N ZINC000575673930 377949313 /nfs/dbraw/zinc/94/93/13/377949313.db2.gz JJQLEFFVLBVEEL-UHFFFAOYSA-N 0 0 260.518 3.177 10 30 CGEERN N#CCc1nccc(C(F)(F)F)c1C(F)(F)F ZINC000575397643 377904710 /nfs/dbraw/zinc/90/47/10/377904710.db2.gz YYAPRSKVSNELNK-UHFFFAOYSA-N 0 0 254.133 3.185 10 30 CGEERN N#Cc1c(F)ccc(OC(F)F)c1Br ZINC000575680520 377955010 /nfs/dbraw/zinc/95/50/10/377955010.db2.gz PGSXFHOUWJBYKU-UHFFFAOYSA-N 0 0 266.016 3.061 10 30 CGEERN N#Cc1c(Br)c(F)ccc1C(F)(F)F ZINC000575689827 377965313 /nfs/dbraw/zinc/96/53/13/377965313.db2.gz HKLMFAYGDFEFHC-UHFFFAOYSA-N 0 0 268.007 3.479 10 30 CGEERN N#CCc1cc([N+](=O)[O-])cc(Cl)c1C(F)(F)F ZINC000575695679 377969483 /nfs/dbraw/zinc/96/94/83/377969483.db2.gz RFXPUIUBJWPJRZ-UHFFFAOYSA-N 0 0 264.590 3.333 10 30 CGEERN CCc1ccc(C=O)c(CC#N)c1OC(F)(F)F ZINC000575703445 377977374 /nfs/dbraw/zinc/97/73/74/377977374.db2.gz VBYMFVQUMRSPNF-UHFFFAOYSA-N 0 0 257.211 3.026 10 30 CGEERN N#CCc1cccc(OC(F)(F)F)c1Br ZINC000616575202 378409802 /nfs/dbraw/zinc/40/98/02/378409802.db2.gz AMVCJBQMJGIIBC-UHFFFAOYSA-N 0 0 280.043 3.414 10 30 CGEERN C[C@@H]1CC(c2noc(-c3cc(C#N)cn3C)n2)C[C@@H](C)C1 ZINC000408225686 380000416 /nfs/dbraw/zinc/00/04/16/380000416.db2.gz KCJGEGUJISAYPS-QWRGUYRKSA-N 0 0 284.363 3.486 10 30 CGEERN Cc1cnc([C@H](C)NC(=O)[C@@H]2CCCCS2)o1 ZINC000329341467 542445930 /nfs/dbraw/zinc/44/59/30/542445930.db2.gz SDPWCMCWBPSEFH-UWVGGRQHSA-N 0 0 254.355 3.286 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)Nc1scnc1C1CC1 ZINC000329741493 542448872 /nfs/dbraw/zinc/44/88/72/542448872.db2.gz OQBZDDYBBGNEDN-UWVGGRQHSA-N 0 0 276.365 3.039 10 30 CGEERN O=C(NC1CCC2(CC2)CC1)[C@@H]1CCCC(=O)N1 ZINC000329960350 542449082 /nfs/dbraw/zinc/44/90/82/542449082.db2.gz RAMKDDHZLATZOQ-NSHDSACASA-N 0 0 250.342 3.175 10 30 CGEERN Cc1ccc2c(c1)[C@H](NC(=O)N[C@H]1CCC[C@H]1C#N)CCC2 ZINC000332973310 542451636 /nfs/dbraw/zinc/45/16/36/542451636.db2.gz GQDMAOJFOFTRAM-BHYGNILZSA-N 0 0 297.402 3.364 10 30 CGEERN CCC[C@@H]1C[C@H]1Nc1ncc(Br)cc1C#N ZINC000390640647 262233849 /nfs/dbraw/zinc/23/38/49/262233849.db2.gz MVJIRRWMPINDCN-LDYMZIIASA-N 0 0 280.169 3.316 10 30 CGEERN C=C[C@](C)(CC)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000189880505 130035091 /nfs/dbraw/zinc/03/50/91/130035091.db2.gz PMFZIYBEYHPTFX-YVEFUNNKSA-N 0 0 289.375 3.237 10 30 CGEERN C#CCN(C)C(=O)[C@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000191172889 130196017 /nfs/dbraw/zinc/19/60/17/130196017.db2.gz DMWSRPJAPZKRCA-HOTGVXAUSA-N 0 0 255.361 3.005 10 30 CGEERN CCn1ncc(C(=O)C=CNc2ccc(C(C)=O)cc2)c1C ZINC000002794473 391915739 /nfs/dbraw/zinc/91/57/39/391915739.db2.gz XEODJUGWEPMHKG-KTKRTIGZSA-N 0 0 297.358 3.223 10 30 CGEERN C[C@@H]1CC(CNc2cccc(F)c2C#N)C[C@@H](C)O1 ZINC000281996517 392268889 /nfs/dbraw/zinc/26/88/89/392268889.db2.gz WVDBABVSMWONSY-GHMZBOCLSA-N 0 0 262.328 3.313 10 30 CGEERN N#Cc1ccc(NCc2nnc(-c3ccccc3)s2)cn1 ZINC000162549568 392596936 /nfs/dbraw/zinc/59/69/36/392596936.db2.gz CSOYZFSTTDMRMT-UHFFFAOYSA-N 0 0 293.355 3.084 10 30 CGEERN CCCCCCCCCC(=O)N[C@@H]1CCCn2ncnc21 ZINC000177576616 392662589 /nfs/dbraw/zinc/66/25/89/392662589.db2.gz RSJMWJCESHZKMI-CQSZACIVSA-N 0 0 292.427 3.370 10 30 CGEERN C[C@]1(c2ccc(Br)s2)CC[C@H](C=O)O1 ZINC000306214534 397677018 /nfs/dbraw/zinc/67/70/18/397677018.db2.gz YXFKHTPOHRSNMN-GMSGAONNSA-N 0 0 275.167 3.104 10 30 CGEERN CC(=O)/C(C)=N\OC(=O)c1ccc(Cl)cc1Cl ZINC000005725192 170133661 /nfs/dbraw/zinc/13/36/61/170133661.db2.gz HORYEONSUDZOSD-NSIKDUERSA-N 0 0 274.103 3.115 10 30 CGEERN COc1ccc(Sc2cccc(N)c2C#N)cc1 ZINC000005854070 170147544 /nfs/dbraw/zinc/14/75/44/170147544.db2.gz YQJXGFCLYVGNMC-UHFFFAOYSA-N 0 0 256.330 3.300 10 30 CGEERN CC(=O)Nc1ccc(/C=N/N(C)c2ccccc2)cc1 ZINC000006949419 170258414 /nfs/dbraw/zinc/25/84/14/170258414.db2.gz VFOTYAXKBNLHBI-SFQUDFHCSA-N 0 0 267.332 3.115 10 30 CGEERN C=CCNC(=S)Nc1ccc(OCC(C)C)cc1 ZINC000014569175 170638053 /nfs/dbraw/zinc/63/80/53/170638053.db2.gz HPIQHLZXIACLKV-UHFFFAOYSA-N 0 0 264.394 3.194 10 30 CGEERN C[C@@H]1CCCC[C@@H]1OCc1ccc(/C(N)=N/O)cc1F ZINC000019425628 170794789 /nfs/dbraw/zinc/79/47/89/170794789.db2.gz VGGIGGUDVRUTFV-YGRLFVJLSA-N 0 0 280.343 3.016 10 30 CGEERN C/C(=N\O)c1cccc(NC(=O)c2ccc(C)cc2)c1 ZINC000019511364 170820726 /nfs/dbraw/zinc/82/07/26/170820726.db2.gz OWIYYBDVMVGGBT-LDADJPATSA-N 0 0 268.316 3.446 10 30 CGEERN N#C[C@H](NCCCc1ccccc1)c1ccccc1 ZINC000019987029 170961266 /nfs/dbraw/zinc/96/12/66/170961266.db2.gz AIWXCQJMHMELED-KRWDZBQOSA-N 0 0 250.345 3.474 10 30 CGEERN CCCN[C@H](C#N)c1ccccc1OC(F)(F)F ZINC000020380227 171172777 /nfs/dbraw/zinc/17/27/77/171172777.db2.gz URQWLLZJVJDATQ-SNVBAGLBSA-N 0 0 258.243 3.149 10 30 CGEERN CCC(C)(C)O[C@H](C)C(=O)Nc1ccccc1C#N ZINC000020514776 171231989 /nfs/dbraw/zinc/23/19/89/171231989.db2.gz OCTFXSTYUZMELK-LLVKDONJSA-N 0 0 260.337 3.090 10 30 CGEERN C=C1C[C@@H](CCCCCCc2cccc(O)c2O)OC1=O ZINC000027713602 171529502 /nfs/dbraw/zinc/52/95/02/171529502.db2.gz ARPJSJWDNCNSCU-CQSZACIVSA-N 0 0 290.359 3.463 10 30 CGEERN Cc1n[nH]c(=S)n1N=Cc1ccc(OCC(C)C)cc1 ZINC000035441210 172202326 /nfs/dbraw/zinc/20/23/26/172202326.db2.gz NHBASTMFXLUMJG-NVNXTCNLSA-N 0 0 290.392 3.166 10 30 CGEERN N#CCCCOc1c(Cl)cc(Cl)cc1CO ZINC000035662662 172340654 /nfs/dbraw/zinc/34/06/54/172340654.db2.gz ZTXUEYWAKKFBJG-UHFFFAOYSA-N 0 0 260.120 3.168 10 30 CGEERN Cc1ccc(C(=O)CCC(=O)Nc2ccccc2C#N)cc1 ZINC000036139064 172462889 /nfs/dbraw/zinc/46/28/89/172462889.db2.gz SBFOIQADUFQFFK-UHFFFAOYSA-N 0 0 292.338 3.468 10 30 CGEERN Cc1cc(Br)cc(C)c1NCCC#N ZINC000036730522 172661695 /nfs/dbraw/zinc/66/16/95/172661695.db2.gz HIFGWNNULRGLAO-UHFFFAOYSA-N 0 0 253.143 3.392 10 30 CGEERN N#Cc1ccccc1-n1c(N)nc2cc(Cl)ccc21 ZINC000036889857 172784310 /nfs/dbraw/zinc/78/43/10/172784310.db2.gz HSXBLGSNVPEIFF-UHFFFAOYSA-N 0 0 268.707 3.133 10 30 CGEERN Cc1ccc(Nc2ncc(N)cc2C#N)cc1Cl ZINC000037758933 173683599 /nfs/dbraw/zinc/68/35/99/173683599.db2.gz ZWSUDDTYYANCJS-UHFFFAOYSA-N 0 0 258.712 3.241 10 30 CGEERN Cc1ccc(Cl)cc1Nc1ncc(N)cc1C#N ZINC000037759016 173683689 /nfs/dbraw/zinc/68/36/89/173683689.db2.gz MRXYVLMMGGIBFZ-UHFFFAOYSA-N 0 0 258.712 3.241 10 30 CGEERN N#CCCN(C(=O)c1csc(Br)c1)C1CC1 ZINC000038099987 174114983 /nfs/dbraw/zinc/11/49/83/174114983.db2.gz MMAYYLRYXAUWFR-UHFFFAOYSA-N 0 0 299.193 3.029 10 30 CGEERN C=CCNc1ncnc(Nc2cccc(C)c2)c1[N+](=O)[O-] ZINC000040598745 174349566 /nfs/dbraw/zinc/34/95/66/174349566.db2.gz XRSDJVRWRSYLBG-UHFFFAOYSA-N 0 0 285.307 3.035 10 30 CGEERN C=CCNc1ncnc(Nc2cccc(C)c2C)c1N ZINC000040708905 174380058 /nfs/dbraw/zinc/38/00/58/174380058.db2.gz UIQVMJRDUOBHBS-UHFFFAOYSA-N 0 0 269.352 3.017 10 30 CGEERN Cc1ncsc1NC(=O)C[C@@H]1CCCCNC1=O ZINC000329534714 227581526 /nfs/dbraw/zinc/58/15/26/227581526.db2.gz KZCADRDGPXHUCQ-VIFPVBQESA-N 0 0 267.354 3.186 10 30 CGEERN Cc1cc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cnn1 ZINC000329830325 227962149 /nfs/dbraw/zinc/96/21/49/227962149.db2.gz FCGJXOYZTRPWAL-QMMMGPOBSA-N 0 0 288.376 3.003 10 30 CGEERN Cn1ccc2cccc(NC(=O)N[C@@H]3CCC[C@@H]3C#N)c21 ZINC000329906621 227981887 /nfs/dbraw/zinc/98/18/87/227981887.db2.gz KGCDIXDZIORQSS-CHWSQXEVSA-N 0 0 282.347 3.196 10 30 CGEERN Cc1cnc([C@@H](C)NC(=O)c2cc(=O)[nH]c(C3CC3)c2)o1 ZINC000329941608 227992460 /nfs/dbraw/zinc/99/24/60/227992460.db2.gz CHOIAVMGVGAGNB-SECBINFHSA-N 0 0 287.319 3.027 10 30 CGEERN CCc1sc(C(=O)N[C@@H]2CCC[C@@H]2C#N)cc1C ZINC000336080210 228185799 /nfs/dbraw/zinc/18/57/99/228185799.db2.gz AFYLYYMLMGUQCU-GHMZBOCLSA-N 0 0 262.378 3.041 10 30 CGEERN N#C[C@]1(c2nc(C3CCCC3)no2)CC12CCCC2 ZINC000333804217 228215149 /nfs/dbraw/zinc/21/51/49/228215149.db2.gz GSXFCQXCJLXCGA-HNNXBMFYSA-N 0 0 257.337 3.453 10 30 CGEERN CC(C)[C@](C)(C#N)NC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109083857 260641956 /nfs/dbraw/zinc/64/19/56/260641956.db2.gz BTLCWGALVVXGHN-WQGACYEGSA-N 0 0 292.329 3.123 10 30 CGEERN N#Cc1cccc(/N=C\c2ccc([N+](=O)[O-])cc2)c1 ZINC000100440051 261184873 /nfs/dbraw/zinc/18/48/73/261184873.db2.gz JUPCNCPJMOVRJZ-YBEGLDIGSA-N 0 0 251.245 3.217 10 30 CGEERN CN(C(=O)c1ccc(-n2cccc2)c(F)c1)C1(C#N)CCC1 ZINC000104319839 261292797 /nfs/dbraw/zinc/29/27/97/261292797.db2.gz QLFXEGKGKCDVOG-UHFFFAOYSA-N 0 0 297.333 3.135 10 30 CGEERN CN(C(=O)[C@H]1C[C@@H]1C1CCCCC1)C1(C#N)CCC1 ZINC000161613622 262317663 /nfs/dbraw/zinc/31/76/63/262317663.db2.gz RUGPTSBYVXMGMX-KGLIPLIRSA-N 0 0 260.381 3.107 10 30 CGEERN C#CCCCCC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000119927814 263278136 /nfs/dbraw/zinc/27/81/36/263278136.db2.gz WIRDBLLGUXNVFZ-OAHLLOKOSA-N 0 0 295.386 3.243 10 30 CGEERN CC[C@@H]1CCCN(C(=O)N[C@H]2CCC(=O)NC23CCC3)C1 ZINC000328744246 263852761 /nfs/dbraw/zinc/85/27/61/263852761.db2.gz NUUJHNMGOTVDCK-OLZOCXBDSA-N 0 0 293.411 3.064 10 30 CGEERN Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2C#N)ccc1F ZINC000103025331 270045487 /nfs/dbraw/zinc/04/54/87/270045487.db2.gz WBKFXWLYNPVRIR-GFCCVEGCSA-N 0 0 298.317 3.412 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000093655692 265188474 /nfs/dbraw/zinc/18/84/74/265188474.db2.gz VVTNDSCTCVLEGW-HYXCCBOESA-N 0 0 286.419 3.401 10 30 CGEERN C=C1CC/C(=N\O)[C@](C)(NO)CC[C@@H]2[C@H]1CC2(C)C ZINC000004469009 277812455 /nfs/dbraw/zinc/81/24/55/277812455.db2.gz OVUMAORDFYWCGK-SNCYWBTKSA-N 0 0 266.385 3.347 10 30 CGEERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N=C2NCCS2)cc1 ZINC000095755642 278046211 /nfs/dbraw/zinc/04/62/11/278046211.db2.gz OZTVENAPWSHGCD-KBPBESRZSA-N 0 0 288.416 3.133 10 30 CGEERN Cc1cc(C)c2ncc(C#N)c(N[C@@H]3CCO[C@@H]3C)c2c1 ZINC000301853169 280412487 /nfs/dbraw/zinc/41/24/87/280412487.db2.gz ACKZWBQAILELBH-IUODEOHRSA-N 0 0 281.359 3.313 10 30 CGEERN Cc1ccnc(N2CCCC[C@@H]2c2nccs2)c1C#N ZINC000273408732 292769986 /nfs/dbraw/zinc/76/99/86/292769986.db2.gz XFXNIACIDMATFI-CYBMUJFWSA-N 0 0 284.388 3.450 10 30 CGEERN Cc1ccc([C@H]2C[C@@H](C)CCN2c2cnc(C#N)cn2)o1 ZINC000125997408 301838646 /nfs/dbraw/zinc/83/86/46/301838646.db2.gz NDSHKNPSRWNMFO-SMDDNHRTSA-N 0 0 282.347 3.227 10 30 CGEERN Cc1cnc(NC(=O)[C@@H]2OCC[C@@H]2C(C)C)s1 ZINC000329492703 302355560 /nfs/dbraw/zinc/35/55/60/302355560.db2.gz WGBKHYYOUPVJGV-NXEZZACHSA-N 0 0 254.355 3.101 10 30 CGEERN N#Cc1cnc(N2CC[C@@H](O)c3ccccc3C2)c(Cl)c1 ZINC000375824769 303213339 /nfs/dbraw/zinc/21/33/39/303213339.db2.gz OPQLMUICCLBLPP-OAHLLOKOSA-N 0 0 299.761 3.050 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NCc1cccc(Cl)c1F ZINC000168914057 329062030 /nfs/dbraw/zinc/06/20/30/329062030.db2.gz PIPPKFCHGMNCIP-SKDRFNHKSA-N 0 0 252.720 3.261 10 30 CGEERN C#CCCCCC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000180025578 329214592 /nfs/dbraw/zinc/21/45/92/329214592.db2.gz OHXHMIKNIMZYOR-ZDUSSCGKSA-N 0 0 276.405 3.043 10 30 CGEERN C=CCOCCCC(=O)N[C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000182223035 329241020 /nfs/dbraw/zinc/24/10/20/329241020.db2.gz QHUWWEULNHDIKR-KBXCAEBGSA-N 0 0 287.403 3.327 10 30 CGEERN C=C(C)C[C@@H](C)C(=O)N1CCC(Cc2ccccn2)CC1 ZINC000185502957 329325974 /nfs/dbraw/zinc/32/59/74/329325974.db2.gz ZSEIIPQYUSRMMD-OAHLLOKOSA-N 0 0 286.419 3.465 10 30 CGEERN Cc1ccc(Cl)cc1C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000228454122 329341534 /nfs/dbraw/zinc/34/15/34/329341534.db2.gz KDEZIRJHUXPBOS-MFKMUULPSA-N 0 0 262.740 3.071 10 30 CGEERN C=C(C)COCCNC(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000134986634 329662075 /nfs/dbraw/zinc/66/20/75/329662075.db2.gz BLQLACUQBFMOOL-ZDUSSCGKSA-N 0 0 294.370 3.087 10 30 CGEERN Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2C#N)c(Cl)c1 ZINC000235870370 329683682 /nfs/dbraw/zinc/68/36/82/329683682.db2.gz CRLRDTZHSOVCPW-MFKMUULPSA-N 0 0 262.740 3.071 10 30 CGEERN C[C@H](N[C@@H]1CCC[C@H]1C#N)c1c(F)cccc1F ZINC000251697014 329933305 /nfs/dbraw/zinc/93/33/05/329933305.db2.gz MQPBVANVKGCZMM-OUJBWJOFSA-N 0 0 250.292 3.308 10 30 CGEERN C=C(C)C[C@H](C)C(=O)N[C@H](C)COCc1ccccc1 ZINC000185700791 333146739 /nfs/dbraw/zinc/14/67/39/333146739.db2.gz PSWFPQRZHZNIEL-LSDHHAIUSA-N 0 0 275.392 3.310 10 30 CGEERN C=C[C@@](C)(CC)C(=O)N[C@@H](CCC)C(=O)OC(C)(C)C ZINC000189214630 333186044 /nfs/dbraw/zinc/18/60/44/333186044.db2.gz UORIUMBVLLUJBV-LRDDRELGSA-N 0 0 283.412 3.215 10 30 CGEERN C[C@@H]1CCC[C@H](NC(=O)c2cnn3ccncc23)CC1 ZINC000329533445 533816359 /nfs/dbraw/zinc/81/63/59/533816359.db2.gz YAQRJMORPPGYAH-NEPJUHHUSA-N 0 0 272.352 3.003 10 30 CGEERN O=C(C[C@@H]1CCCCNC1=O)Nc1cccc2c1OCO2 ZINC000329506293 534338974 /nfs/dbraw/zinc/33/89/74/534338974.db2.gz LLIIYOJTWXMIIL-JTQLQIEISA-N 0 0 290.319 3.150 10 30 CGEERN C#CCC(C)(C)C(=O)N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000184287859 518240542 /nfs/dbraw/zinc/24/05/42/518240542.db2.gz HNSGWQIGRZRBBA-DLBZAZTESA-N 0 0 299.414 3.151 10 30 CGEERN CCN(CC[C@H](C#N)NC(C)C)c1ccc(C)cc1 ZINC000062438432 521157499 /nfs/dbraw/zinc/15/74/99/521157499.db2.gz GYPMAXMVDUDGJP-OAHLLOKOSA-N 0 0 259.397 3.102 10 30 CGEERN CC[C@H](C)N(CC)c1cc(Cl)ccc1/C(N)=N/O ZINC000062789347 523935731 /nfs/dbraw/zinc/93/57/31/523935731.db2.gz KFDHUAZYRTVLBK-VIFPVBQESA-N 0 0 269.776 3.059 10 30 CGEERN COc1ccc(Nc2cc(C)nc(C)c2C#N)cc1 ZINC000156535471 524712687 /nfs/dbraw/zinc/71/26/87/524712687.db2.gz KMNAGVFVQSHOKD-UHFFFAOYSA-N 0 0 253.305 3.322 10 30 CGEERN Cc1ccc(C#N)cc1-n1ccc2c1CCC[C@H]2O ZINC000050436727 525995000 /nfs/dbraw/zinc/99/50/00/525995000.db2.gz MUVKMKVDSBODMC-MRXNPFEDSA-N 0 0 252.317 3.027 10 30 CGEERN Cc1csc([C@@H]2CCCN(c3nc(C)ccc3C#N)C2)n1 ZINC000160987133 526422111 /nfs/dbraw/zinc/42/21/11/526422111.db2.gz RSXPFTIGWBHFDO-CQSZACIVSA-N 0 0 298.415 3.411 10 30 CGEERN N#CCc1noc(COc2ccc(Cl)cc2Cl)n1 ZINC000073641297 526486994 /nfs/dbraw/zinc/48/69/94/526486994.db2.gz GGXRTUWRDSSQOV-UHFFFAOYSA-N 0 0 284.102 3.021 10 30 CGEERN C=CCO[C@@H]1CCN(c2ccc(-c3ccc(F)cc3)nn2)C1 ZINC000302146677 526820230 /nfs/dbraw/zinc/82/02/30/526820230.db2.gz KYCHENMVOROWPD-OAHLLOKOSA-N 0 0 299.349 3.064 10 30 CGEERN OCC#Cc1csc(COCC2CCCCC2)c1 ZINC000052156004 527520469 /nfs/dbraw/zinc/52/04/69/527520469.db2.gz KGHQYAKAAXWLNL-UHFFFAOYSA-N 0 0 264.390 3.189 10 30 CGEERN C=C(Cl)CC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000685959259 570406504 /nfs/dbraw/zinc/40/65/04/570406504.db2.gz PSEVSCNFNGKENB-SNVBAGLBSA-N 0 0 273.760 3.098 10 30 CGEERN CCCCCCCCC(=O)NC[C@H]1CCC[C@H]1O ZINC000091315947 618643471 /nfs/dbraw/zinc/64/34/71/618643471.db2.gz OAOXOEDPUFJDIN-ZIAGYGMSSA-N 0 0 255.402 3.014 10 30 CGEERN CC(C)(C)[C@@H]1C=C(I)C(=O)CC1 ZINC000216168893 619231746 /nfs/dbraw/zinc/23/17/46/619231746.db2.gz RKJNHYGRPLZUGN-ZETCQYMHSA-N 0 0 278.133 3.331 10 30 CGEERN CC(C)[C@H](C)NC(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000180063762 624713227 /nfs/dbraw/zinc/71/32/27/624713227.db2.gz UGFGYQRHPCUAMU-RYUDHWBXSA-N 0 0 275.352 3.143 10 30 CGEERN C[C@@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)C1CCOCC1 ZINC000180081668 624713233 /nfs/dbraw/zinc/71/32/33/624713233.db2.gz HOYNPNTZTZEZMQ-CYBMUJFWSA-N 0 0 299.370 3.214 10 30 CGEERN C#Cc1cccc(N(C)C(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000103030220 626203464 /nfs/dbraw/zinc/20/34/64/626203464.db2.gz QXBISIXGVFFOTH-UHFFFAOYSA-N 0 0 294.310 3.161 10 30 CGEERN C#CC[C@@H](OC(=O)c1ccc(F)cc1)c1ccccn1 ZINC000105549320 635920742 /nfs/dbraw/zinc/92/07/42/635920742.db2.gz UMRADPRMAYZZLT-OAHLLOKOSA-N 0 0 269.275 3.142 10 30 CGEERN CCCCCNC(=O)[C@H](C#N)C(=O)C[C@H](CC)C(C)C ZINC000105755730 636003266 /nfs/dbraw/zinc/00/32/66/636003266.db2.gz NLZDPDPVJQKXLS-UONOGXRCSA-N 0 0 280.412 3.074 10 30 CGEERN N#Cc1cncc(N2Cc3ccccc3C3(CCCC3)C2)n1 ZINC000885748270 637289679 /nfs/dbraw/zinc/28/96/79/637289679.db2.gz MPFMJNUVSQAXSC-UHFFFAOYSA-N 0 0 290.370 3.180 10 30 CGEERN CC[C@H](CC#N)OC(=O)/C=C(/C)c1ccccc1OC ZINC000588558234 799711713 /nfs/dbraw/zinc/71/17/13/799711713.db2.gz BTJZVNIBVGGYMK-YLGBQOPLSA-N 0 0 273.332 3.334 10 30 CGEERN CCCOc1ccc(C(=O)/C=C\c2cocn2)cc1 ZINC000588581147 799716894 /nfs/dbraw/zinc/71/68/94/799716894.db2.gz MTGQFJRPZNHJRE-YVMONPNESA-N 0 0 257.289 3.360 10 30 CGEERN O=C(/C=C\c1cc(Br)ccc1O)C1CC1 ZINC000096854321 185116911 /nfs/dbraw/zinc/11/69/11/185116911.db2.gz FOLISHFUWHPTMG-HYXAFXHYSA-N 0 0 267.122 3.147 10 30 CGEERN N#Cc1ccc(C(F)(F)F)c(NCC(F)F)c1 ZINC000126039891 187212313 /nfs/dbraw/zinc/21/23/13/187212313.db2.gz AFLWTSYAMJDNCN-UHFFFAOYSA-N 0 0 250.170 3.254 10 30 CGEERN N#Cc1cc(N[C@@H]2CCC[C@H]3C[C@H]32)ccc1[N+](=O)[O-] ZINC000591991861 346954220 /nfs/dbraw/zinc/95/42/20/346954220.db2.gz HFCVRIFQIZTYNO-ZWKOPEQDSA-N 0 0 257.293 3.067 10 30 CGEERN C=C(C)C(=O)OCCOc1cccc2ccccc21 ZINC000002571988 344858136 /nfs/dbraw/zinc/85/81/36/344858136.db2.gz XAUWKSVLUPUQAT-UHFFFAOYSA-N 0 0 256.301 3.338 10 30 CGEERN COc1ccc2c(c1OC)CCc1ccccc1[C@]21CO1 ZINC000034149950 344937934 /nfs/dbraw/zinc/93/79/34/344937934.db2.gz LRYIOBKOULFHHW-GOSISDBHSA-N 0 0 282.339 3.076 10 30 CGEERN CC(=NC#N)N[C@H]1c2ccccc2COc2ccccc21 ZINC000033995364 344937463 /nfs/dbraw/zinc/93/74/63/344937463.db2.gz BSCCCWBOAOHBBJ-KRWDZBQOSA-N 0 0 277.327 3.157 10 30 CGEERN COC(=O)c1ccc2c(c1)[C@@H](CC=O)c1ccccc1CO2 ZINC000038602592 344956526 /nfs/dbraw/zinc/95/65/26/344956526.db2.gz LGNKMMKIFVSJSE-HNNXBMFYSA-N 0 0 296.322 3.087 10 30 CGEERN COc1ccc(C(=O)[C@@H](C#N)c2cccc(OC)c2)cc1 ZINC000039128350 344958079 /nfs/dbraw/zinc/95/80/79/344958079.db2.gz FPEAVBPJROUOHX-INIZCTEOSA-N 0 0 281.311 3.194 10 30 CGEERN N#C[C@@H](Nc1ccccc1Br)C1CC1 ZINC000041047366 344967148 /nfs/dbraw/zinc/96/71/48/344967148.db2.gz RSLXNYDXUKOIIN-LLVKDONJSA-N 0 0 251.127 3.163 10 30 CGEERN N#CC[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000041323253 344968143 /nfs/dbraw/zinc/96/81/43/344968143.db2.gz GMSYWEJJUWFYFA-HNNXBMFYSA-N 0 0 253.301 3.007 10 30 CGEERN C[C@H]1CSC(Nc2ccccc2Br)=N1 ZINC000035294923 344942093 /nfs/dbraw/zinc/94/20/93/344942093.db2.gz ZJIFENBLXIBTHA-ZETCQYMHSA-N 0 0 271.183 3.162 10 30 CGEERN N#C[C@@]1(N2CCCCC2)CCCN(Cc2ccccc2)C1 ZINC000037355637 344949594 /nfs/dbraw/zinc/94/95/94/344949594.db2.gz MTDUYAOVCSHIKU-SFHVURJKSA-N 0 0 283.419 3.031 10 30 CGEERN CCCCCCCCCCCC(=O)[C@H]1O[C@H]1C(=O)N(C)C ZINC000043397074 344997779 /nfs/dbraw/zinc/99/77/79/344997779.db2.gz VMPOWSJPZRKXRB-HZPDHXFCSA-N 0 0 297.439 3.332 10 30 CGEERN N#Cc1cc2c(nc1NCc1cccc(N)c1)CCCC2 ZINC000052925941 345111060 /nfs/dbraw/zinc/11/10/60/345111060.db2.gz WQKUKSQUCDKSGA-UHFFFAOYSA-N 0 0 278.359 3.026 10 30 CGEERN CCCCCCCCc1ccc(S(N)(=O)=O)cc1 ZINC000080631987 345680983 /nfs/dbraw/zinc/68/09/83/345680983.db2.gz IWWYDLRFYKXXNR-UHFFFAOYSA-N 0 0 269.410 3.237 10 30 CGEERN CCc1nsc(Oc2cccc(Cl)c2C#N)n1 ZINC000092658908 345850253 /nfs/dbraw/zinc/85/02/53/345850253.db2.gz NQYLFJZZTQQDJJ-UHFFFAOYSA-N 0 0 265.725 3.418 10 30 CGEERN Cc1cncc(-c2nnc(-c3ccc(C#N)s3)o2)c1 ZINC000117855043 345986209 /nfs/dbraw/zinc/98/62/09/345986209.db2.gz YEEOUQWFOULDLL-UHFFFAOYSA-N 0 0 268.301 3.040 10 30 CGEERN N#C[C@@]1(Br)CCC[C@@H](C(F)(F)F)C1 ZINC000127624309 346033071 /nfs/dbraw/zinc/03/30/71/346033071.db2.gz LDXMIOCDYBJSKC-RNFRBKRXSA-N 0 0 256.065 3.396 10 30 CGEERN CC(=O)Nc1ccc(Sc2ccc(N)c(C#N)c2)cc1 ZINC000127769538 346034980 /nfs/dbraw/zinc/03/49/80/346034980.db2.gz SJRJGQRDABBRJG-UHFFFAOYSA-N 0 0 283.356 3.250 10 30 CGEERN N#Cc1ccc(Cn2ccc3cc([N+](=O)[O-])ccc32)cc1 ZINC000128496802 346041492 /nfs/dbraw/zinc/04/14/92/346041492.db2.gz ZPVRGOYUYYQWMD-UHFFFAOYSA-N 0 0 277.283 3.469 10 30 CGEERN COc1ccccc1C(=O)C=CNOCc1ccccc1 ZINC000136592518 346091690 /nfs/dbraw/zinc/09/16/90/346091690.db2.gz WDNGYLBRDCPUHL-QXMHVHEDSA-N 0 0 283.327 3.113 10 30 CGEERN CCOC(=O)/C=N/C(c1ccccc1)c1ccccc1 ZINC000136807018 346092723 /nfs/dbraw/zinc/09/27/23/346092723.db2.gz MXRQIPWOXOFHBU-QGOAFFKASA-N 0 0 267.328 3.410 10 30 CGEERN IC#C/C=C/c1ccccc1 ZINC000137635237 346094864 /nfs/dbraw/zinc/09/48/64/346094864.db2.gz KTFRMRQCGPPUER-XBXARRHUSA-N 0 0 254.070 3.096 10 30 CGEERN N#Cc1ccccc1N[C@H]1CCC[C@H]2CCCC[C@@]21O ZINC000144773116 346118999 /nfs/dbraw/zinc/11/89/99/346118999.db2.gz VQDOVUMVFQKHEG-HYVNUMGLSA-N 0 0 270.376 3.444 10 30 CGEERN COc1ccccc1C1(OC)CCC(=NOC(C)=O)CC1 ZINC000146458537 346123845 /nfs/dbraw/zinc/12/38/45/346123845.db2.gz QCZYVXFDOKHLED-UHFFFAOYSA-N 0 0 291.347 3.030 10 30 CGEERN C=CC[C@H](O)c1cc(OC)ccc1Br ZINC000158807881 346165734 /nfs/dbraw/zinc/16/57/34/346165734.db2.gz QFCBTKWTRSKGDS-NSHDSACASA-N 0 0 257.127 3.067 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NCc1ccc(Br)c(F)c1 ZINC000161312674 346175203 /nfs/dbraw/zinc/17/52/03/346175203.db2.gz YFCXOPHWQYVLGX-MFKMUULPSA-N 0 0 297.171 3.370 10 30 CGEERN C=C(C)[C@@H](NC)c1c(F)cccc1Br ZINC000165170649 346184211 /nfs/dbraw/zinc/18/42/11/346184211.db2.gz ZZYHKZKPVYWLDA-LLVKDONJSA-N 0 0 258.134 3.425 10 30 CGEERN COC(=O)c1ccc(-c2ccc(F)c(C#N)c2)s1 ZINC000168855793 346191050 /nfs/dbraw/zinc/19/10/50/346191050.db2.gz IKDCYUCYGJHDJS-UHFFFAOYSA-N 0 0 261.277 3.212 10 30 CGEERN N#CC1(c2ccccc2Cl)CCC2(CC1)OCCO2 ZINC000196750790 346276460 /nfs/dbraw/zinc/27/64/60/346276460.db2.gz WSPCRZFBIZLQAW-UHFFFAOYSA-N 0 0 277.751 3.418 10 30 CGEERN N#Cc1cccc(C(=O)CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000213627486 346287872 /nfs/dbraw/zinc/28/78/72/346287872.db2.gz MOXLCCHPKKIQJM-UHFFFAOYSA-N 0 0 280.283 3.282 10 30 CGEERN N#Cc1ccc(NCCCF)c(Br)c1 ZINC000236168682 346339729 /nfs/dbraw/zinc/33/97/29/346339729.db2.gz ZCBKSUZNGJDASC-UHFFFAOYSA-N 0 0 257.106 3.092 10 30 CGEERN COc1ccc(/C=C\C(C)=O)cc1Br ZINC000085476807 179079347 /nfs/dbraw/zinc/07/93/47/179079347.db2.gz AOVJTAMOQFOZJZ-ARJAWSKDSA-N 0 0 255.111 3.060 10 30 CGEERN C=C([C@@H](O)c1ccc(Br)o1)C(F)(F)F ZINC000306679092 346456691 /nfs/dbraw/zinc/45/66/91/346456691.db2.gz BVLYFSLTKUSLMW-SSDOTTSWSA-N 0 0 271.032 3.194 10 30 CGEERN O=C[C@H]1CCC[C@H](c2ccc(Br)cc2)O1 ZINC000306730085 346457108 /nfs/dbraw/zinc/45/71/08/346457108.db2.gz PEHPRCQWWIFWQW-VXGBXAGGSA-N 0 0 269.138 3.258 10 30 CGEERN N#C[C@@]1(NCc2ccccc2)CCCC12CCOCC2 ZINC000307724229 346464905 /nfs/dbraw/zinc/46/49/05/346464905.db2.gz XPSOLJWEETYZQD-KRWDZBQOSA-N 0 0 270.376 3.019 10 30 CGEERN COc1ccc(/C=C\C(C)=O)c(Br)c1 ZINC000308569879 346467998 /nfs/dbraw/zinc/46/79/98/346467998.db2.gz DIABBOMELUBOEN-ARJAWSKDSA-N 0 0 255.111 3.060 10 30 CGEERN N#CCc1c([N+](=O)[O-])cc(Cc2ccccc2)cc1[N+](=O)[O-] ZINC000584595612 346687012 /nfs/dbraw/zinc/68/70/12/346687012.db2.gz QZGSATBUWAKQDI-UHFFFAOYSA-N 0 0 297.270 3.160 10 30 CGEERN CCOC(=O)[C@@](C#N)(CC)[C@](C)(C#N)c1ccc(F)cc1 ZINC000584596984 346687557 /nfs/dbraw/zinc/68/75/57/346687557.db2.gz XJYKFZBFRJOYJM-CVEARBPZSA-N 0 0 288.322 3.090 10 30 CGEERN C#CC(C#C)(OC(=O)NC1CCCCC1)c1ccccc1 ZINC000584600689 346689225 /nfs/dbraw/zinc/68/92/25/346689225.db2.gz VMEHGGURABVCFQ-UHFFFAOYSA-N 0 0 281.355 3.207 10 30 CGEERN COC(=O)CC1=C(c2ccc(Cl)cc2)C(=O)CCC1 ZINC000584616464 346693680 /nfs/dbraw/zinc/69/36/80/346693680.db2.gz MKKZZTWYPBRUNQ-UHFFFAOYSA-N 0 0 278.735 3.410 10 30 CGEERN CC(C)c1nc(CN[C@@H]2CCCC[C@@H]2C#N)cs1 ZINC000595691994 347338708 /nfs/dbraw/zinc/33/87/08/347338708.db2.gz KYAOUAGHAVLQRN-DGCLKSJQSA-N 0 0 263.410 3.438 10 30 CGEERN CCCCCCCCCSCC[C@H]([NH3+])C(=O)[O-] ZINC000103117929 185808441 /nfs/dbraw/zinc/80/84/41/185808441.db2.gz GXVPSVNWIIEVMT-LBPRGKRZSA-N 0 0 261.431 3.272 10 30 CGEERN C=CCc1ccc(O)c(-c2cc(/C=C/CO)ccc2O)c1 ZINC000001532029 290861117 /nfs/dbraw/zinc/86/11/17/290861117.db2.gz OUJJWPMPNAGHRR-HWKANZROSA-N 0 0 282.339 3.499 10 30 biogenic,in-vitro CGEERN C[C@@H](Nc1cnn(-c2ncccc2C#N)c1)C1CCCC1 ZINC000186021213 138439021 /nfs/dbraw/zinc/43/90/21/138439021.db2.gz VOKJKVQPPIQDDD-GFCCVEGCSA-N 0 0 281.363 3.130 10 30 CGEERN C[C@@H](Nc1cnn(-c2ncccc2C#N)c1)c1ccsc1 ZINC000186023678 138439089 /nfs/dbraw/zinc/43/90/89/138439089.db2.gz IKHQVFAGQVYAJI-LLVKDONJSA-N 0 0 295.371 3.374 10 30 CGEERN Cc1ccc(C#N)c(N[C@H](C)COCc2ccccc2)n1 ZINC000179788446 189219895 /nfs/dbraw/zinc/21/98/95/189219895.db2.gz NAKNUTBZBGMEEZ-CQSZACIVSA-N 0 0 281.359 3.279 10 30 CGEERN CCc1sc([C@@H](C)Nc2nccnc2C#N)cc1C ZINC000301787299 201197931 /nfs/dbraw/zinc/19/79/31/201197931.db2.gz WWLUCTHPSQPAMQ-SNVBAGLBSA-N 0 0 272.377 3.454 10 30 CGEERN Cc1nc(CNc2ccc(C#N)cc2F)c(C)s1 ZINC000301794109 201201992 /nfs/dbraw/zinc/20/19/92/201201992.db2.gz PPLCDMQETOSOMU-UHFFFAOYSA-N 0 0 261.325 3.383 10 30 CGEERN Cc1nc(CNc2cccc(F)c2C#N)c(C)s1 ZINC000301845640 201230216 /nfs/dbraw/zinc/23/02/16/201230216.db2.gz SXFJHZIAWVPSFH-UHFFFAOYSA-N 0 0 261.325 3.383 10 30 CGEERN N#Cc1cccc(N2CCC[C@@H]2c2nc3ccccc3[nH]2)n1 ZINC000301861448 201237088 /nfs/dbraw/zinc/23/70/88/201237088.db2.gz TYYMUPDWSIEQRH-OAHLLOKOSA-N 0 0 289.342 3.171 10 30 CGEERN CSc1nc(Cl)c(C#N)c(Nc2ccccc2)n1 ZINC000002557105 368464822 /nfs/dbraw/zinc/46/48/22/368464822.db2.gz HGKHYIDJADDPDM-UHFFFAOYSA-N 0 0 276.752 3.467 10 30 CGEERN CC(C)Cc1ccc([C@@H](C(=O)N(C)O)C(C)C)cc1 ZINC000026264687 368856953 /nfs/dbraw/zinc/85/69/53/368856953.db2.gz IKCDYKLPBFXVDU-HNNXBMFYSA-N 0 0 263.381 3.472 10 30 CGEERN CC(=NNc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000033656652 368968201 /nfs/dbraw/zinc/96/82/01/368968201.db2.gz SGEYHIVLGZVAJO-RVDMUPIBSA-N 0 0 255.277 3.431 10 30 CGEERN COc1cc(NC2=NCCCS2)c(OC)cc1Cl ZINC000034971955 368984049 /nfs/dbraw/zinc/98/40/49/368984049.db2.gz WFWBGSQJQPRUQJ-UHFFFAOYSA-N 0 0 286.784 3.071 10 30 CGEERN Cc1ccccc1CN=Nc1ccccc1[N+](=O)[O-] ZINC000033391494 368963508 /nfs/dbraw/zinc/96/35/08/368963508.db2.gz DMYOAUIMWFASMY-GDNBJRDFSA-N 0 0 255.277 3.349 10 30 CGEERN CSc1nc(N)c(C(=O)/C=C\c2ccccc2)s1 ZINC000033378816 368963764 /nfs/dbraw/zinc/96/37/64/368963764.db2.gz ADKCVCYEWPEQRL-FPLPWBNLSA-N 0 0 276.386 3.343 10 30 CGEERN CCOP(=O)(OCC)OC1(C#N)CCCCC1 ZINC000038273262 369146056 /nfs/dbraw/zinc/14/60/56/369146056.db2.gz AKZINVSBRMFRJH-UHFFFAOYSA-N 0 0 261.258 3.411 10 30 CGEERN N#C[C@@H](C(=O)c1cccnc1)c1ccccc1Cl ZINC000044268087 369258569 /nfs/dbraw/zinc/25/85/69/369258569.db2.gz VQEZQDAGLIYQHN-GFCCVEGCSA-N 0 0 256.692 3.225 10 30 CGEERN C=CCNC(=O)[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000070237013 369790692 /nfs/dbraw/zinc/79/06/92/369790692.db2.gz FDGXNYPDJOBMSJ-CYBMUJFWSA-N 0 0 251.757 3.382 10 30 CGEERN CC(=O)N(C)c1ccc(/N=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000100034337 370270044 /nfs/dbraw/zinc/27/00/44/370270044.db2.gz IQCQTSBMYITXGZ-GZTJUZNOSA-N 0 0 297.314 3.328 10 30 CGEERN COc1cccc(/C=N/c2ccc([N+](=O)[O-])cc2)c1 ZINC000100042223 370270309 /nfs/dbraw/zinc/27/03/09/370270309.db2.gz KCCRVILXYBRGEW-XNTDXEJSSA-N 0 0 256.261 3.354 10 30 CGEERN CC(=O)N(C)c1ccc(/N=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000100033477 370270350 /nfs/dbraw/zinc/27/03/50/370270350.db2.gz YVWRGKWPLPWMKB-GZTJUZNOSA-N 0 0 297.314 3.328 10 30 CGEERN F[C@@H]1O[C@@]1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000100483874 370279495 /nfs/dbraw/zinc/27/94/95/370279495.db2.gz PVWZPUCUQYDJMI-JCYAYHJZSA-N 0 0 298.051 3.446 10 30 CGEERN CCOC(=O)C(Cl)=NNc1ccccc1C(F)(F)F ZINC000101338247 370288237 /nfs/dbraw/zinc/28/82/37/370288237.db2.gz KOTWSMZTIFTQHU-RQZCQDPDSA-N 0 0 294.660 3.233 10 30 CGEERN C=CCN(CC=C)C(=O)NCCc1c[nH]c2cccc(C)c12 ZINC000103317357 370322153 /nfs/dbraw/zinc/32/21/53/370322153.db2.gz DIPWJQJPTBCFRV-UHFFFAOYSA-N 0 0 297.402 3.402 10 30 CGEERN N#Cc1cccc(CNC(=O)[C@H]2C[C@@H]2C2CCCCC2)c1 ZINC000133982921 371294165 /nfs/dbraw/zinc/29/41/65/371294165.db2.gz SSHLQSXPFDAYNR-SJORKVTESA-N 0 0 282.387 3.391 10 30 CGEERN N#Cc1cccc(CNC(=O)[C@@H]2C[C@H]2C2CCCCC2)c1 ZINC000133983083 371294662 /nfs/dbraw/zinc/29/46/62/371294662.db2.gz SSHLQSXPFDAYNR-DLBZAZTESA-N 0 0 282.387 3.391 10 30 CGEERN C=CCC[C@H](NC(=O)[C@H](C)COC)c1ccccc1 ZINC000133677014 371271449 /nfs/dbraw/zinc/27/14/49/371271449.db2.gz LXDBUFKGXKEYSX-HIFRSBDPSA-N 0 0 261.365 3.093 10 30 CGEERN C=C(Br)[C@H]1OC2(CCCC2)OC1(C)C ZINC000219935163 376205814 /nfs/dbraw/zinc/20/58/14/376205814.db2.gz VOIIVHMOBJHUID-SECBINFHSA-N 0 0 261.159 3.359 10 30 CGEERN C=C(Br)CNc1cc(F)ccc1[N+](=O)[O-] ZINC000168331908 372610259 /nfs/dbraw/zinc/61/02/59/372610259.db2.gz XVNPWIIBLBCDRK-UHFFFAOYSA-N 0 0 275.077 3.054 10 30 CGEERN N#Cc1cccnc1NCC1(c2ccccc2F)CC1 ZINC000301296006 373735276 /nfs/dbraw/zinc/73/52/76/373735276.db2.gz XRGXYAMUZMCPPB-UHFFFAOYSA-N 0 0 267.307 3.236 10 30 CGEERN COc1ccc(Sc2ccc([N+](=O)[O-])c(C#N)n2)cc1 ZINC000302719272 373938948 /nfs/dbraw/zinc/93/89/48/373938948.db2.gz KRUAZLLYDFVWBH-UHFFFAOYSA-N 0 0 287.300 3.021 10 30 CGEERN Cc1ccc(C#N)c(N2CCC[C@@H](c3nccs3)C2)n1 ZINC000180227228 373981272 /nfs/dbraw/zinc/98/12/72/373981272.db2.gz QULSTZASIREQLH-CYBMUJFWSA-N 0 0 284.388 3.102 10 30 CGEERN CCc1ccc([C@@H]2CCCCN2C(=O)NC[C@H](C)C#N)o1 ZINC000182778110 374326171 /nfs/dbraw/zinc/32/61/71/374326171.db2.gz GPIITDBFSXKABI-OCCSQVGLSA-N 0 0 289.379 3.238 10 30 CGEERN CCc1ccc([C@@H]2CCCCN2C(=O)NC[C@@H](C)C#N)o1 ZINC000182778072 374326526 /nfs/dbraw/zinc/32/65/26/374326526.db2.gz GPIITDBFSXKABI-JSGCOSHPSA-N 0 0 289.379 3.238 10 30 CGEERN CC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)CCc1cccnc1 ZINC000328613910 374371350 /nfs/dbraw/zinc/37/13/50/374371350.db2.gz UQPQEXPIEXDUOQ-ZBFHGGJFSA-N 0 0 290.407 3.422 10 30 CGEERN C[C@@H]1CCCN(C(=O)N[C@@H]2CCC(=O)NC23CCC3)CC1 ZINC000328726156 374378558 /nfs/dbraw/zinc/37/85/58/374378558.db2.gz ZMXKRSIVODKQDN-CHWSQXEVSA-N 0 0 293.411 3.064 10 30 CGEERN O=C(C[C@@H]1CCCCNC1=O)NC[C@H]1CC=CCC1 ZINC000328754680 374380074 /nfs/dbraw/zinc/38/00/74/374380074.db2.gz DVWOOVRUUOTVMZ-STQMWFEESA-N 0 0 264.369 3.446 10 30 CGEERN C[C@@H]1C[C@H](CNC(=O)C[C@@H]2CCCCC(=O)N2)CCO1 ZINC000328777448 374381826 /nfs/dbraw/zinc/38/18/26/374381826.db2.gz IKLWLDCDTFHJHG-UPJWGTAASA-N 0 0 282.384 3.047 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)Cc1ccc(Cl)cc1Cl ZINC000334549140 374848091 /nfs/dbraw/zinc/84/80/91/374848091.db2.gz DGSWVRFNLSNVMX-GWCFXTLKSA-N 0 0 297.185 3.344 10 30 CGEERN C#CCCCC(=O)O[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000192381079 375742210 /nfs/dbraw/zinc/74/22/10/375742210.db2.gz JPDDLPVJSDLBQN-GFCCVEGCSA-N 0 0 275.304 3.311 10 30 CGEERN CCc1ccc(CNc2ccc([N+](=O)[O-])c(C#N)n2)s1 ZINC000234166954 376612824 /nfs/dbraw/zinc/61/28/24/376612824.db2.gz MUOSJFGPJNHKJQ-UHFFFAOYSA-N 0 0 288.332 3.097 10 30 CGEERN COC(=O)c1ccc(C(F)F)c(C(F)(F)F)c1C#N ZINC000575344210 377883657 /nfs/dbraw/zinc/88/36/57/377883657.db2.gz VHWVWWRAIDBOPP-UHFFFAOYSA-N 0 0 279.164 3.301 10 30 CGEERN CCOC(=O)c1cc(Cl)cc(OC(F)(F)F)c1C#N ZINC000575382819 377892597 /nfs/dbraw/zinc/89/25/97/377892597.db2.gz BHLQKVOEYYCNQP-UHFFFAOYSA-N 0 0 293.628 3.287 10 30 CGEERN CCOC(=O)c1c(C#N)cc(C(F)F)cc1OC(F)F ZINC000575385328 377894599 /nfs/dbraw/zinc/89/45/99/377894599.db2.gz LDYDINVGDIPMFM-UHFFFAOYSA-N 0 0 291.200 3.274 10 30 CGEERN CCOC(=O)c1ccc(C(F)F)c(C#N)c1OC(F)F ZINC000575385475 377894943 /nfs/dbraw/zinc/89/49/43/377894943.db2.gz UAGCVNOTNSNBBB-UHFFFAOYSA-N 0 0 291.200 3.274 10 30 CGEERN CCOC(=O)c1cc(C(F)F)c(C#N)cc1OC(F)F ZINC000575385262 377895117 /nfs/dbraw/zinc/89/51/17/377895117.db2.gz HDPVBPHPSXGMSU-UHFFFAOYSA-N 0 0 291.200 3.274 10 30 CGEERN CCOC(=O)c1cc(OC(F)F)cc(C(F)F)c1C#N ZINC000575385210 377895229 /nfs/dbraw/zinc/89/52/29/377895229.db2.gz CTNYWQFISUIUTG-UHFFFAOYSA-N 0 0 291.200 3.274 10 30 CGEERN COC(=O)Cc1cc(C(F)F)c(C(F)(F)F)cc1C#N ZINC000575387626 377896303 /nfs/dbraw/zinc/89/63/03/377896303.db2.gz SNFDFGGRZDKKRH-UHFFFAOYSA-N 0 0 293.191 3.230 10 30 CGEERN CCOC(=O)c1cc(CC)c(C#N)c(C(F)(F)F)c1 ZINC000575389189 377896311 /nfs/dbraw/zinc/89/63/11/377896311.db2.gz BQBUSOOYPWTVQO-UHFFFAOYSA-N 0 0 271.238 3.316 10 30 CGEERN COc1cc(C(F)(F)F)cc(CC#N)c1OC(F)F ZINC000575664226 377939357 /nfs/dbraw/zinc/93/93/57/377939357.db2.gz DSRWDDINFVLFJR-UHFFFAOYSA-N 0 0 281.180 3.381 10 30 CGEERN Cc1ccc(OC(F)F)c(C#N)c1C(F)(F)F ZINC000575664213 377939721 /nfs/dbraw/zinc/93/97/21/377939721.db2.gz DCCOLAVRINHLGY-UHFFFAOYSA-N 0 0 251.154 3.487 10 30 CGEERN COc1cc(Br)c(CC#N)c(OC(F)F)c1 ZINC000575682891 377956827 /nfs/dbraw/zinc/95/68/27/377956827.db2.gz FMXOQFKUQQPLHX-UHFFFAOYSA-N 0 0 292.079 3.125 10 30 CGEERN N#Cc1c(Br)c(F)ccc1OC(F)F ZINC000575679842 377953432 /nfs/dbraw/zinc/95/34/32/377953432.db2.gz CXSJZSZZGYWINL-UHFFFAOYSA-N 0 0 266.016 3.061 10 30 CGEERN CCOC(=O)c1ccc(C)c(C(F)(F)F)c1C#N ZINC000575394306 377902175 /nfs/dbraw/zinc/90/21/75/377902175.db2.gz BMRZDJUSHZXYGB-UHFFFAOYSA-N 0 0 257.211 3.062 10 30 CGEERN CCOC(=O)c1ccc(C#N)c(C(F)(F)F)c1C ZINC000575395318 377902433 /nfs/dbraw/zinc/90/24/33/377902433.db2.gz XXBQPBKVNAMJNY-UHFFFAOYSA-N 0 0 257.211 3.062 10 30 CGEERN COC(=O)c1cc(C)cc(C#N)c1SC(F)(F)F ZINC000575395264 377902551 /nfs/dbraw/zinc/90/25/51/377902551.db2.gz VFALQAKQBIIJNL-UHFFFAOYSA-N 0 0 275.251 3.265 10 30 CGEERN Fc1cc(F)c(OC(F)(F)F)cc1OC(F)F ZINC000575396776 377903615 /nfs/dbraw/zinc/90/36/15/377903615.db2.gz FTISSPFHUPNXDP-UHFFFAOYSA-N 0 0 264.096 3.465 10 30 CGEERN N#CCc1nc(C(F)(F)F)ccc1C(F)(F)F ZINC000575397606 377904732 /nfs/dbraw/zinc/90/47/32/377904732.db2.gz RUBBAKMYDYDIPF-UHFFFAOYSA-N 0 0 254.133 3.185 10 30 CGEERN COc1c(Br)cc(C(F)F)cc1CC#N ZINC000575685914 377961308 /nfs/dbraw/zinc/96/13/08/377961308.db2.gz OLKBYRQZSJKVBK-UHFFFAOYSA-N 0 0 276.080 3.461 10 30 CGEERN N#Cc1cc(Br)c(F)cc1OC(F)(F)F ZINC000575688631 377962966 /nfs/dbraw/zinc/96/29/66/377962966.db2.gz WLQNWHPJBHFIOT-UHFFFAOYSA-N 0 0 284.006 3.358 10 30 CGEERN N#Cc1cc(F)c(Br)cc1OC(F)(F)F ZINC000575688460 377963208 /nfs/dbraw/zinc/96/32/08/377963208.db2.gz RANFLHWYOOAVQE-UHFFFAOYSA-N 0 0 284.006 3.358 10 30 CGEERN N#CCc1c(Br)ccc(O)c1C(F)(F)F ZINC000575691164 377967219 /nfs/dbraw/zinc/96/72/19/377967219.db2.gz ILVVQNCTKOUZJD-UHFFFAOYSA-N 0 0 280.043 3.240 10 30 CGEERN Oc1cc(F)c(OC(F)(F)F)cc1C(F)(F)F ZINC000575703362 377977441 /nfs/dbraw/zinc/97/74/41/377977441.db2.gz LXYFULXFNGJBPV-UHFFFAOYSA-N 0 0 264.096 3.449 10 30 CGEERN N#C[C@@H](c1ccccn1)[C@H](CCO)c1c(F)cccc1F ZINC000584628909 378394914 /nfs/dbraw/zinc/39/49/14/378394914.db2.gz ZDWLTLUHTQZBAH-NWDGAFQWSA-N 0 0 288.297 3.133 10 30 CGEERN O=C1C(Br)=Cc2ccc(Br)cc21 ZINC000299805473 284780181 /nfs/dbraw/zinc/78/01/81/284780181.db2.gz PODSKCGFWAKOIV-UHFFFAOYSA-N 0 0 287.938 3.381 10 30 CGEERN N#CC1(C(=O)N2C[C@@H]3CCCCC[C@H]32)CCCCC1 ZINC000375851105 379515144 /nfs/dbraw/zinc/51/51/44/379515144.db2.gz UALIFDJYTRDCQD-UONOGXRCSA-N 0 0 260.381 3.252 10 30 CGEERN Cc1cc(C#N)cc(N2CCC[C@H](c3nccs3)C2)n1 ZINC000376560626 379579399 /nfs/dbraw/zinc/57/93/99/379579399.db2.gz GWZNXOIBPRBMDJ-ZDUSSCGKSA-N 0 0 284.388 3.102 10 30 CGEERN Cc1csc2ncnc(N[C@@H]3CCC[C@@H]3C#N)c12 ZINC000408472437 380014924 /nfs/dbraw/zinc/01/49/24/380014924.db2.gz VFDSRDWZXRJEHO-NXEZZACHSA-N 0 0 258.350 3.104 10 30 CGEERN Cc1nc([C@@H](C)NC(=O)c2conc2C2CC2)cs1 ZINC000329518275 542447017 /nfs/dbraw/zinc/44/70/17/542447017.db2.gz NMMIKIJRDKNSPM-SSDOTTSWSA-N 0 0 277.349 3.383 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1coc(C2CCCCC2)n1 ZINC000332729395 542450524 /nfs/dbraw/zinc/45/05/24/542450524.db2.gz XZOBHDSXAHWDJI-OLZOCXBDSA-N 0 0 287.363 3.144 10 30 CGEERN O=C[C@H]1CCCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000054268592 296442604 /nfs/dbraw/zinc/44/26/04/296442604.db2.gz RLEOUQVZCAPLMG-JTQLQIEISA-N 0 0 257.255 3.121 10 30 CGEERN N#Cc1nccc2c(F)ccc(Br)c12 ZINC000082766674 392222882 /nfs/dbraw/zinc/22/28/82/392222882.db2.gz XYOMVWNCFOWNKS-UHFFFAOYSA-N 0 0 251.058 3.008 10 30 CGEERN C=CCNC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000151251422 392483082 /nfs/dbraw/zinc/48/30/82/392483082.db2.gz JHXUDNZDCAMASA-CQSZACIVSA-N 0 0 286.375 3.308 10 30 CGEERN CCc1ncc2c(n1)CN(c1c(Cl)cccc1C#N)CC2 ZINC000301396474 392589157 /nfs/dbraw/zinc/58/91/57/392589157.db2.gz MUTPPWUGHHZMJR-UHFFFAOYSA-N 0 0 298.777 3.127 10 30 CGEERN N#Cc1ccc(NCCCc2nc3ccccc3s2)nn1 ZINC000301932234 392603726 /nfs/dbraw/zinc/60/37/26/392603726.db2.gz PGVNYHBSNXQKCS-UHFFFAOYSA-N 0 0 295.371 3.003 10 30 CGEERN C#CCCCCC(=O)N1CCC(c2nccs2)CC1 ZINC000374507279 392679323 /nfs/dbraw/zinc/67/93/23/392679323.db2.gz PAWONGBBQUSHIZ-UHFFFAOYSA-N 0 0 276.405 3.043 10 30 CGEERN O=CC1(Cc2cc(F)ccc2Br)CCC1 ZINC000306450544 392638121 /nfs/dbraw/zinc/63/81/21/392638121.db2.gz CPFYBVSYCUHWRY-UHFFFAOYSA-N 0 0 271.129 3.500 10 30 CGEERN N#Cc1ccc(N2C(=O)CC3(CCCCC3)CC2=O)cc1 ZINC000035055779 134787327 /nfs/dbraw/zinc/78/73/27/134787327.db2.gz UYSDCGLYYVHEBY-UHFFFAOYSA-N 0 0 282.343 3.162 10 30 CGEERN CCc1cc(Br)cc2cc(C#N)c(=O)[nH]c21 ZINC000675067764 543312533 /nfs/dbraw/zinc/31/25/33/543312533.db2.gz NBQGPIMBWQRZQC-UHFFFAOYSA-N 0 0 277.121 3.137 10 30 CGEERN CCN(C(=O)[C@H]1CC[C@H](C)O1)c1ccc(C#N)c(Cl)c1 ZINC000091206836 287106536 /nfs/dbraw/zinc/10/65/36/287106536.db2.gz UXINUWHRBZJNEY-IINYFYTJSA-N 0 0 292.766 3.132 10 30 CGEERN Cc1sc2ncn(CC#N)c(=O)c2c1-c1ccc(C)cc1 ZINC000001942809 169764554 /nfs/dbraw/zinc/76/45/54/169764554.db2.gz RRVBFBAQIZXLQU-UHFFFAOYSA-N 0 0 295.367 3.265 10 30 CGEERN COc1ccc(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1 ZINC000005108739 170066749 /nfs/dbraw/zinc/06/67/49/170066749.db2.gz AWQMZZZNWWFZOH-GFCCVEGCSA-N 0 0 281.311 3.217 10 30 CGEERN CC#C[C@H](Cc1ccccc1)n1nnc2ccccc21 ZINC000005283262 170082235 /nfs/dbraw/zinc/08/22/35/170082235.db2.gz KZMNYNFEIOVFJA-OAHLLOKOSA-N 0 0 261.328 3.238 10 30 CGEERN CC(C)[C@@H](C#Cc1ccccc1)NC(=O)c1ccccc1 ZINC000005284826 170082677 /nfs/dbraw/zinc/08/26/77/170082677.db2.gz CWSPCGKGVCLDRH-GOSISDBHSA-N 0 0 277.367 3.493 10 30 CGEERN CCOc1ccc(CN=Nc2ccccc2[N+](=O)[O-])cc1 ZINC000005465162 170101722 /nfs/dbraw/zinc/10/17/22/170101722.db2.gz RANNIQZSDIVBEG-LFIBNONCSA-N 0 0 285.303 3.440 10 30 CGEERN C=C[C@H]([C@H](O)C1CCCCC1)n1nnc2ccccc21 ZINC000005631382 170122035 /nfs/dbraw/zinc/12/20/35/170122035.db2.gz IKQLLAVQVNOBQS-GDBMZVCRSA-N 0 0 271.364 3.100 10 30 CGEERN CC(C)(C)OC(=O)N1CCC[C@@H]1C#Cc1ccccc1 ZINC000006186787 170181758 /nfs/dbraw/zinc/18/17/58/170181758.db2.gz FOFIILSUABABGQ-OAHLLOKOSA-N 0 0 271.360 3.438 10 30 CGEERN COc1cccc(C=NNc2ccc(C)cc2)c1O ZINC000007931023 170308635 /nfs/dbraw/zinc/30/86/35/170308635.db2.gz ZVCXWKNBZRUNRF-MHWRWJLKSA-N 0 0 256.305 3.155 10 30 CGEERN CCOc1cccc(NC=C2C(=O)CC(C)(C)CC2=O)c1 ZINC000010120815 170398002 /nfs/dbraw/zinc/39/80/02/170398002.db2.gz SDWLZHXRFVHYDM-UHFFFAOYSA-N 0 0 287.359 3.339 10 30 CGEERN COC[C@H](Cc1ccccc1)/N=C/c1ccccc1 ZINC000018129223 170743529 /nfs/dbraw/zinc/74/35/29/170743529.db2.gz SUBNLDMYESIJHW-NAVNFMRLSA-N 0 0 253.345 3.363 10 30 CGEERN CC(C)c1ccc(Oc2cc(/C(N)=N/O)ccn2)cc1 ZINC000019502268 170815311 /nfs/dbraw/zinc/81/53/11/170815311.db2.gz IVAGUGDICMCQBR-UHFFFAOYSA-N 0 0 271.320 3.092 10 30 CGEERN CC(C)(C)c1ccc(Oc2ccc(/C(N)=N/O)cn2)cc1 ZINC000019507497 170819048 /nfs/dbraw/zinc/81/90/48/170819048.db2.gz IQNPVYAYMYKYAX-UHFFFAOYSA-N 0 0 285.347 3.266 10 30 CGEERN N/C(=N\O)c1ccccc1CSCc1ccccc1 ZINC000019847733 170897249 /nfs/dbraw/zinc/89/72/49/170897249.db2.gz DBIWVOPSYHCRFR-UHFFFAOYSA-N 0 0 272.373 3.215 10 30 CGEERN COc1ccc(O)c([C@H](C)Nc2cccc(C#N)c2)c1 ZINC000019922216 170929170 /nfs/dbraw/zinc/92/91/70/170929170.db2.gz CIKOIEMSYIPRHT-NSHDSACASA-N 0 0 268.316 3.446 10 30 CGEERN N#CCOc1ccc(NCCc2ccccc2)cc1 ZINC000020126421 171010684 /nfs/dbraw/zinc/01/06/84/171010684.db2.gz ACGJOBXXZIVRGT-UHFFFAOYSA-N 0 0 252.317 3.244 10 30 CGEERN CCOc1ccc([C@H](C#N)NCc2ccccc2)cc1 ZINC000020175116 171041847 /nfs/dbraw/zinc/04/18/47/171041847.db2.gz HLZKOEMWGAZCFU-KRWDZBQOSA-N 0 0 266.344 3.440 10 30 CGEERN N#Cc1ccc(NC(=O)Nc2ccc(Cl)c(N)c2)cc1 ZINC000022175045 171369962 /nfs/dbraw/zinc/36/99/62/171369962.db2.gz KVNIETGWMYDISB-UHFFFAOYSA-N 0 0 286.722 3.438 10 30 CGEERN N#Cc1cc(NC(=O)c2ccccc2N)ccc1Cl ZINC000035149540 172011442 /nfs/dbraw/zinc/01/14/42/172011442.db2.gz SJPCZSGUAOOSIM-UHFFFAOYSA-N 0 0 271.707 3.046 10 30 CGEERN CC(C)c1ccc([C@H](C#N)NC[C@@H]2CCCO2)cc1 ZINC000037940155 173879789 /nfs/dbraw/zinc/87/97/89/173879789.db2.gz LIWBKTUBTDZJRK-HOTGVXAUSA-N 0 0 258.365 3.143 10 30 CGEERN N#C[C@H](NC1CCCCC1)c1c(F)cccc1F ZINC000037969264 173917692 /nfs/dbraw/zinc/91/76/92/173917692.db2.gz UVXBWGDKIQLOCS-ZDUSSCGKSA-N 0 0 250.292 3.452 10 30 CGEERN Cc1ccc2c(c1)c(OCC#N)nn2Cc1ccccc1 ZINC000039927984 174174908 /nfs/dbraw/zinc/17/49/08/174174908.db2.gz FXKAVYOEBXBTBC-UHFFFAOYSA-N 0 0 277.327 3.295 10 30 CGEERN C=C(C)Cn1c(CCCNC(=O)C(C)C)nc2ccccc21 ZINC000040204124 174203802 /nfs/dbraw/zinc/20/38/02/174203802.db2.gz JPJNKFNLQGCXHX-UHFFFAOYSA-N 0 0 299.418 3.317 10 30 CGEERN N#C[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1ccccc1 ZINC000040215215 174204280 /nfs/dbraw/zinc/20/42/80/174204280.db2.gz DUFQNTYRBZAWMC-OAHLLOKOSA-N 0 0 284.746 3.264 10 30 CGEERN CC(C)(C#N)COc1cccc(Br)c1 ZINC000041324109 174520577 /nfs/dbraw/zinc/52/05/77/174520577.db2.gz QFUUOPJOUJPJLV-UHFFFAOYSA-N 0 0 254.127 3.378 10 30 CGEERN C[C@@H]1CC(CNC(=O)NCC2(C3CC3)CCC2)C[C@@H](C)O1 ZINC000329329128 227445862 /nfs/dbraw/zinc/44/58/62/227445862.db2.gz KTSQEOYIMRPLTF-CHWSQXEVSA-N 0 0 294.439 3.274 10 30 CGEERN O=C(Nc1ccc(C2CCC2)cc1)N[C@@H]1CCCNC1=O ZINC000330203494 228064325 /nfs/dbraw/zinc/06/43/25/228064325.db2.gz CAAYZGFNSPDFHO-CQSZACIVSA-N 0 0 287.363 3.399 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000336081683 228185831 /nfs/dbraw/zinc/18/58/31/228185831.db2.gz SRURDJAKSHAHFR-BXUZGUMPSA-N 0 0 288.778 3.180 10 30 CGEERN Cc1cc2[nH]c(C(=O)N[C@H]3CCC[C@H]3C#N)cc2c(C)c1 ZINC000408332665 260801083 /nfs/dbraw/zinc/80/10/83/260801083.db2.gz YGQUITYHAZYLAI-JSGCOSHPSA-N 0 0 281.359 3.207 10 30 CGEERN CCC[C@H]1C[C@H]1Nc1ncc(Br)cc1C#N ZINC000390640644 262233881 /nfs/dbraw/zinc/23/38/81/262233881.db2.gz MVJIRRWMPINDCN-GZMMTYOYSA-N 0 0 280.169 3.316 10 30 CGEERN C=CCC(CC=C)C(=O)N[C@H]1COc2ccccc21 ZINC000128014366 264273906 /nfs/dbraw/zinc/27/39/06/264273906.db2.gz JDGQJKMDSVNUDK-AWEZNQCLSA-N 0 0 257.333 3.005 10 30 CGEERN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)NCc1cccc(C#N)c1 ZINC000246399953 287704703 /nfs/dbraw/zinc/70/47/03/287704703.db2.gz LHAKLJFHDATZOY-XOKHGSTOSA-N 0 0 297.402 3.421 10 30 CGEERN CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)/C(=N/O)C1 ZINC000012505958 277193164 /nfs/dbraw/zinc/19/31/64/277193164.db2.gz VYEGGOOMTKYYTR-UDIPDBSGSA-N 0 0 290.363 3.241 10 30 CGEERN C[C@@H]1CC[C@@H](NC(=O)c2ccnc(C#N)c2)c2ccccc21 ZINC000193670362 278586794 /nfs/dbraw/zinc/58/67/94/278586794.db2.gz PUCRVUHUYRNNNX-SJKOYZFVSA-N 0 0 291.354 3.322 10 30 CGEERN Cc1nnc(N[C@H]2CCC[C@H](C(F)(F)F)C2)c(C#N)c1C ZINC000298275309 279230062 /nfs/dbraw/zinc/23/00/62/279230062.db2.gz HTCLKSICRIIVCV-QWRGUYRKSA-N 0 0 298.312 3.498 10 30 CGEERN Cc1c(C)n(-c2cccc(Br)c2)c(N)c1C#N ZINC000034976231 280223478 /nfs/dbraw/zinc/22/34/78/280223478.db2.gz XFDDKTQRMLLCQV-UHFFFAOYSA-N 0 0 290.164 3.311 10 30 CGEERN C[C@@H]1OCC[C@@H]1NC(=O)N[C@@H]1CCCCC12CCCC2 ZINC000329601379 288880381 /nfs/dbraw/zinc/88/03/81/288880381.db2.gz FFXPEEXPJXVZLB-MELADBBJSA-N 0 0 280.412 3.170 10 30 CGEERN Cc1ccnc(N2CCc3sccc3[C@H]2C)c1C#N ZINC000135071501 292780675 /nfs/dbraw/zinc/78/06/75/292780675.db2.gz HZKCZNZKPKRFOQ-LLVKDONJSA-N 0 0 269.373 3.447 10 30 CGEERN O/N=C1/CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000100481777 295390366 /nfs/dbraw/zinc/39/03/66/295390366.db2.gz OUPRRQJFXORULA-YBEGLDIGSA-N 0 0 262.309 3.464 10 30 CGEERN Cc1cc(N2CC3(CCCC3)OC(C)(C)C2)c(C#N)c(C)n1 ZINC000302629072 301331781 /nfs/dbraw/zinc/33/17/81/301331781.db2.gz GCCKYDUPKGBIFL-UHFFFAOYSA-N 0 0 299.418 3.498 10 30 CGEERN N#CCC1CCN(C(=O)N[C@@H]2CCC23CCCC3)CC1 ZINC000336124278 303149164 /nfs/dbraw/zinc/14/91/64/303149164.db2.gz VOKUOZIOIZBMCT-CQSZACIVSA-N 0 0 275.396 3.044 10 30 CGEERN CC[C@@H](C#N)NC(=O)c1cccc2c3c([nH]c21)CCCC3 ZINC000179245357 327800811 /nfs/dbraw/zinc/80/08/11/327800811.db2.gz NKKDFXJVEJENDN-NSHDSACASA-N 0 0 281.359 3.079 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NCc1sccc1Br ZINC000087575662 326992991 /nfs/dbraw/zinc/99/29/91/326992991.db2.gz SDUXRKOUIUHURD-SCZZXKLOSA-N 0 0 285.210 3.292 10 30 CGEERN COC[C@@H](C)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000108981795 327257472 /nfs/dbraw/zinc/25/74/72/327257472.db2.gz MSSDZIJKYANCLD-NEPJUHHUSA-N 0 0 292.404 3.302 10 30 CGEERN C[C@@H]1CC[C@@H](NC(=O)C2(C#N)CCOCC2)c2ccccc21 ZINC000125183270 327390677 /nfs/dbraw/zinc/39/06/77/327390677.db2.gz XKPWCIPCZPXZFM-CZUORRHYSA-N 0 0 298.386 3.062 10 30 CGEERN C=CCCCC(=O)Nc1cccc(-c2ncon2)c1 ZINC000175509622 329169399 /nfs/dbraw/zinc/16/93/99/329169399.db2.gz YZJFUYBXBUJQOQ-UHFFFAOYSA-N 0 0 257.293 3.031 10 30 CGEERN C[C@H]1C[C@H](C(=O)N(C)C2(C#N)CCC2)CC(C)(C)C1 ZINC000182222995 329241044 /nfs/dbraw/zinc/24/10/44/329241044.db2.gz GQDLRCNWCYWOPZ-STQMWFEESA-N 0 0 262.397 3.353 10 30 CGEERN C=C(C)CN(CC)C(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000247664581 329883974 /nfs/dbraw/zinc/88/39/74/329883974.db2.gz YLHQWMDROHEBTG-BRWVUGGUSA-N 0 0 284.403 3.180 10 30 CGEERN COCCNc1ccc(-c2cccc(C#N)c2)cc1C#N ZINC000536954996 330382919 /nfs/dbraw/zinc/38/29/19/330382919.db2.gz OCPWREBQMKHASS-UHFFFAOYSA-N 0 0 277.327 3.155 10 30 CGEERN C=CCSCCNC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000172879930 332950856 /nfs/dbraw/zinc/95/08/56/332950856.db2.gz BJJIMNVVAQJTMA-KGLIPLIRSA-N 0 0 267.438 3.238 10 30 CGEERN C=C[C@](C)(CC)C(=O)N[C@H](CCC)C(=O)OC(C)(C)C ZINC000189214615 333186060 /nfs/dbraw/zinc/18/60/60/333186060.db2.gz UORIUMBVLLUJBV-MLGOLLRUSA-N 0 0 283.412 3.215 10 30 CGEERN CC#CCNC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000135810045 334139272 /nfs/dbraw/zinc/13/92/72/334139272.db2.gz XGOYNDCHAAKVGB-HNNXBMFYSA-N 0 0 298.386 3.146 10 30 CGEERN Cc1ccnc(-c2noc([C@@]3(C#N)CC34CCCC4)n2)c1 ZINC000333815762 534377763 /nfs/dbraw/zinc/37/77/63/534377763.db2.gz IURIRVUNJLBHKM-INIZCTEOSA-N 0 0 280.331 3.166 10 30 CGEERN CCN[C@@H](C#N)CCSc1ccc2c(c1)CCC2 ZINC000062456219 520058451 /nfs/dbraw/zinc/05/84/51/520058451.db2.gz KFOVFWUNUJGBBB-CQSZACIVSA-N 0 0 260.406 3.159 10 30 CGEERN CCN[C@@H](C#N)CCOc1ccc2ccccc2c1 ZINC000062446985 520059121 /nfs/dbraw/zinc/05/91/21/520059121.db2.gz XXMYZZBPKYQMPM-OAHLLOKOSA-N 0 0 254.333 3.110 10 30 CGEERN Cc1cc(N(C)CCc2ccccc2)c(C#N)c(C)n1 ZINC000156587192 525025682 /nfs/dbraw/zinc/02/56/82/525025682.db2.gz HQDIGWMHBBGKNI-UHFFFAOYSA-N 0 0 265.360 3.249 10 30 CGEERN C[C@H]1c2ccccc2O[C@@H]1C(=O)Oc1ccc(C#N)cc1F ZINC000158118868 525126037 /nfs/dbraw/zinc/12/60/37/525126037.db2.gz FTIWDBKEGCCMPM-QFYYESIMSA-N 0 0 297.285 3.167 10 30 CGEERN Cc1ccccc1CSc1ccccc1/C(N)=N/O ZINC000054964101 525185972 /nfs/dbraw/zinc/18/59/72/525185972.db2.gz UDXCYVLBKYOIBB-UHFFFAOYSA-N 0 0 272.373 3.382 10 30 CGEERN Cc1cc(NC[C@H]2Cc3ccccc32)c(C#N)c(C)n1 ZINC000156590550 525277707 /nfs/dbraw/zinc/27/77/07/525277707.db2.gz PBAFHRJVPBXLPU-CQSZACIVSA-N 0 0 263.344 3.322 10 30 CGEERN C[C@H](c1cccs1)N(C)c1ccc(N)cc1C#N ZINC000049727171 526156185 /nfs/dbraw/zinc/15/61/85/526156185.db2.gz GFUFYMJJFPVUQB-SNVBAGLBSA-N 0 0 257.362 3.399 10 30 CGEERN C=CCc1ccccc1OCC(=O)NC1CCCCC1 ZINC000001284689 571777783 /nfs/dbraw/zinc/77/77/83/571777783.db2.gz LHYNVVLNTQFUEX-UHFFFAOYSA-N 0 0 273.376 3.243 10 30 CGEERN Cc1ccc(C#N)cc1OS(=O)(=O)/C=C\c1ccccc1 ZINC000255213580 618090984 /nfs/dbraw/zinc/09/09/84/618090984.db2.gz AVHDCYFPHYNLEM-KTKRTIGZSA-N 0 0 299.351 3.246 10 30 CGEERN COc1ccc(O)c(/C=N\[C@H]2CCOc3ccccc32)c1 ZINC000255373804 618242573 /nfs/dbraw/zinc/24/25/73/618242573.db2.gz ITJCGDREHBORGN-GZQZNAIASA-N 0 0 283.327 3.344 10 30 CGEERN CCCCCCCC(=O)N[C@@H]1CCCC[C@H]1CO ZINC000151127690 618804720 /nfs/dbraw/zinc/80/47/20/618804720.db2.gz GRUNBFMZKHWOFN-UONOGXRCSA-N 0 0 255.402 3.014 10 30 CGEERN C#C[C@H](C)NC(=O)N[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000186019122 625504909 /nfs/dbraw/zinc/50/49/09/625504909.db2.gz DBMZLDBSMWMZSK-UONOGXRCSA-N 0 0 288.391 3.103 10 30 CGEERN COc1cccc([C@@H]2C[C@@H]2C(=O)OCC2(CC#N)CC2)c1 ZINC000174747332 623735867 /nfs/dbraw/zinc/73/58/67/623735867.db2.gz VDIWLKURHCAQDG-GJZGRUSLSA-N 0 0 285.343 3.036 10 30 CGEERN CCCCCNC(=O)[C@H](C#N)C(=O)C[C@@H](CC)C(C)C ZINC000105755726 636002809 /nfs/dbraw/zinc/00/28/09/636002809.db2.gz NLZDPDPVJQKXLS-ZIAGYGMSSA-N 0 0 280.412 3.074 10 30 CGEERN C=C[C@H](CC(=O)O[C@@H](C)[C@@H]1CCOC1)c1ccccc1 ZINC000132310860 636800408 /nfs/dbraw/zinc/80/04/08/636800408.db2.gz OUYRCWCBYWIJNV-SQWLQELKSA-N 0 0 274.360 3.315 10 30 CGEERN Cc1cccc2c1OCC[C@@H]2/N=C/c1ccc(O)c(O)c1O ZINC000189650118 640202974 /nfs/dbraw/zinc/20/29/74/640202974.db2.gz XINMVFXBHFMGRY-VVSAQIQQSA-N 0 0 299.326 3.055 10 30 CGEERN C[C@H](O)c1cccc(OCc2ccc(C#N)c(F)c2)c1 ZINC000190099423 640223270 /nfs/dbraw/zinc/22/32/70/640223270.db2.gz WPTKKAVWKBURHA-NSHDSACASA-N 0 0 271.291 3.330 10 30 CGEERN Cn1ccc(/C=C\C(=O)c2ccc(-n3cccc3)cc2)n1 ZINC000096569076 640832898 /nfs/dbraw/zinc/83/28/98/640832898.db2.gz JXYGPGQXOBTPAO-TWGQIWQCSA-N 0 0 277.327 3.107 10 30 CGEERN C#CC[C@@H](OC(=O)/C=C\c1scnc1C)C(C)(C)C ZINC000588539668 799708182 /nfs/dbraw/zinc/70/81/82/799708182.db2.gz BWGSNLFLABDNBD-LJTDUEICSA-N 0 0 277.389 3.446 10 30 CGEERN N#CCc1c[nH]c2c1c(Br)cnc2Cl ZINC000118453839 230394354 /nfs/dbraw/zinc/39/43/54/230394354.db2.gz KHWMDCORWZAVCP-UHFFFAOYSA-N 0 0 270.517 3.045 10 30 CGEERN Cc1ccc([C@H](C)NC(=O)Nc2ccc(F)cc2C#N)o1 ZINC000097036644 185166454 /nfs/dbraw/zinc/16/64/54/185166454.db2.gz KPUKIVRWBAYYIL-JTQLQIEISA-N 0 0 287.294 3.482 10 30 CGEERN COc1ccc(CC#N)c(-c2ccccc2)c1OC ZINC000034122563 344937960 /nfs/dbraw/zinc/93/79/60/344937960.db2.gz TVOVQTVZJFVVNV-UHFFFAOYSA-N 0 0 253.301 3.437 10 30 CGEERN CC[C@@H](C#N)C(=O)c1ccc(Br)cc1F ZINC000036916060 344945804 /nfs/dbraw/zinc/94/58/04/344945804.db2.gz OJBMIPDAPOJAIC-ZETCQYMHSA-N 0 0 270.101 3.321 10 30 CGEERN N#Cc1ccsc1C(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000052028868 345095885 /nfs/dbraw/zinc/09/58/85/345095885.db2.gz HFZTXYULXZMWLL-YPMHNXCESA-N 0 0 274.389 3.415 10 30 CGEERN N#Cc1ccc(NCC[C@@H]2CCCO2)cc1Cl ZINC000061846186 345235890 /nfs/dbraw/zinc/23/58/90/345235890.db2.gz ATAZIOKEDDYHPH-LBPRGKRZSA-N 0 0 250.729 3.193 10 30 CGEERN N#C[C@@H]1CCO[C@@H]1c1ccccc1Br ZINC000070672581 345392912 /nfs/dbraw/zinc/39/29/12/345392912.db2.gz WOQBIDBTVQUBQL-KWQFWETISA-N 0 0 252.111 3.050 10 30 CGEERN Cc1cnc(CCNc2c(F)cc(C#N)cc2F)s1 ZINC000078372955 345604722 /nfs/dbraw/zinc/60/47/22/345604722.db2.gz SKDCCBOFMCBFKZ-UHFFFAOYSA-N 0 0 279.315 3.256 10 30 CGEERN N#Cc1ccc(-c2cc(Cl)nc(Cl)n2)cc1 ZINC000084123164 345729899 /nfs/dbraw/zinc/72/98/99/345729899.db2.gz WXFOCCWKBXUNMK-UHFFFAOYSA-N 0 0 250.088 3.322 10 30 CGEERN CCOC(=O)CC[C@H](C)Nc1c(Cl)cccc1C#N ZINC000089656956 345773196 /nfs/dbraw/zinc/77/31/96/345773196.db2.gz ADDUGQDCQNDUKB-JTQLQIEISA-N 0 0 280.755 3.355 10 30 CGEERN C[C@H](CC#N)N(C)c1cc(C#N)c2cc(Cl)ccc2n1 ZINC000092663259 345851264 /nfs/dbraw/zinc/85/12/64/345851264.db2.gz PPYNHXQFLJWDED-SNVBAGLBSA-N 0 0 284.750 3.498 10 30 CGEERN CO/N=C1/c2ccccc2C[C@@H]1c1ccc(OC)cc1 ZINC000138486555 346096798 /nfs/dbraw/zinc/09/67/98/346096798.db2.gz FLHGTDNWNMNOEU-OTZFSBHDSA-N 0 0 267.328 3.386 10 30 CGEERN C[C@@H](OS(C)(=O)=O)c1cc(Cl)ccc1Cl ZINC000143599309 346114711 /nfs/dbraw/zinc/11/47/11/346114711.db2.gz KUTGXZQRZHORQF-ZCFIWIBFSA-N 0 0 269.149 3.031 10 30 CGEERN CC(C)(C)[C@@H](C#N)c1ccc(-c2cnc(N)nc2)cc1 ZINC000146471881 346123613 /nfs/dbraw/zinc/12/36/13/346123613.db2.gz HNGNJYRSTBTIFS-AWEZNQCLSA-N 0 0 266.348 3.379 10 30 CGEERN CC[C@H](C#N)Oc1cc(F)ccc1Br ZINC000160243857 346170077 /nfs/dbraw/zinc/17/00/77/346170077.db2.gz YRWNUTNBVCMOIA-MRVPVSSYSA-N 0 0 258.090 3.269 10 30 CGEERN C=C[C@](C)(CCOC)C(=O)NC1CCC(CC)CC1 ZINC000188122177 346261490 /nfs/dbraw/zinc/26/14/90/346261490.db2.gz YKUNATCBAAYKNW-ZBCRRDGASA-N 0 0 267.413 3.300 10 30 CGEERN C#CC[C@H](CC)Nc1ccncc1Br ZINC000228987416 346316249 /nfs/dbraw/zinc/31/62/49/346316249.db2.gz QTBIEJHUBQIAQP-VIFPVBQESA-N 0 0 253.143 3.058 10 30 CGEERN C[C@@H]1CCC[C@@H](c2noc(-c3ccc(C#N)cn3)n2)C1 ZINC000235449477 346335168 /nfs/dbraw/zinc/33/51/68/346335168.db2.gz WUWCOYUAKDHHNP-ZYHUDNBSSA-N 0 0 268.320 3.297 10 30 CGEERN O=C(c1cccc(F)c1F)C(F)(F)C(F)(F)F ZINC000236183801 346340049 /nfs/dbraw/zinc/34/00/49/346340049.db2.gz KBWUEUWPHVQSEJ-UHFFFAOYSA-N 0 0 260.108 3.345 10 30 CGEERN C#C[C@@H](Nc1ncc(C)cc1Br)C(C)C ZINC000301008147 346439408 /nfs/dbraw/zinc/43/94/08/346439408.db2.gz YGOKTKZNYRRLOU-LLVKDONJSA-N 0 0 267.170 3.222 10 30 CGEERN CC#C[C@H](O)c1cc(Br)ccc1Cl ZINC000306509749 346454559 /nfs/dbraw/zinc/45/45/59/346454559.db2.gz CBDFIXHLRDDUME-JTQLQIEISA-N 0 0 259.530 3.159 10 30 CGEERN CC#C[C@@H](O)c1cc(Br)ccc1Cl ZINC000306509750 346454573 /nfs/dbraw/zinc/45/45/73/346454573.db2.gz CBDFIXHLRDDUME-SNVBAGLBSA-N 0 0 259.530 3.159 10 30 CGEERN N#C[C@@H]1CCCC[C@@H]1NCc1ccc(Br)o1 ZINC000378972853 346554451 /nfs/dbraw/zinc/55/44/51/346554451.db2.gz KJJKLJNBAVWZBL-ONGXEEELSA-N 0 0 283.169 3.214 10 30 CGEERN N#CCc1c(N)c(C(F)(F)F)ccc1Br ZINC000396051788 346578741 /nfs/dbraw/zinc/57/87/41/346578741.db2.gz NCYSXRONJPMNLZ-UHFFFAOYSA-N 0 0 279.059 3.116 10 30 CGEERN N#CCc1ccc(C(F)(F)F)c(C(F)(F)F)n1 ZINC000514263166 346636518 /nfs/dbraw/zinc/63/65/18/346636518.db2.gz IQXGGNFEEKXPPT-UHFFFAOYSA-N 0 0 254.133 3.185 10 30 CGEERN N#C[C@H](c1c(F)cccc1F)[C@H](CCO)c1cncs1 ZINC000584639285 346702239 /nfs/dbraw/zinc/70/22/39/346702239.db2.gz LNKYQPIUFWEILT-UWVGGRQHSA-N 0 0 294.326 3.195 10 30 CGEERN N#Cc1cccc(CN2CCCc3cc(N)ccc32)c1 ZINC000019875172 136579419 /nfs/dbraw/zinc/57/94/19/136579419.db2.gz GFNKMIBJKMSXRV-UHFFFAOYSA-N 0 0 263.344 3.093 10 30 CGEERN CCCCCCCC(F)(C(=O)OCC)C(=O)OCC ZINC000584646391 346703910 /nfs/dbraw/zinc/70/39/10/346703910.db2.gz SBTRIDXJUSEXAP-UHFFFAOYSA-N 0 0 276.348 3.181 10 30 CGEERN C=CCC1(CO)c2ccccc2S(=O)c2ccccc21 ZINC000584590663 346685915 /nfs/dbraw/zinc/68/59/15/346685915.db2.gz PQKYNKRVAIEFAX-UHFFFAOYSA-N 0 0 284.380 3.021 10 30 CGEERN CCC[C@](C#N)(c1cccc(OC)c1)[C@@H](C)C(=O)OCC ZINC000584596946 346687750 /nfs/dbraw/zinc/68/77/50/346687750.db2.gz UMZORKNUMXQUOD-SUMWQHHRSA-N 0 0 289.375 3.456 10 30 CGEERN COC(=O)c1ccc(C#Cc2cccc3c2C(=O)CC3)cc1 ZINC000584598123 346688341 /nfs/dbraw/zinc/68/83/41/346688341.db2.gz GCVCSZKQCPCURV-UHFFFAOYSA-N 0 0 290.318 3.002 10 30 CGEERN C=C(Cl)COC(=O)Nc1ccc(C(C)=O)cc1 ZINC000584624758 346696421 /nfs/dbraw/zinc/69/64/21/346696421.db2.gz QIEMZEZUEQOAAL-UHFFFAOYSA-N 0 0 253.685 3.190 10 30 CGEERN N#C[C@H](c1ccccc1)[C@H](CCO)c1c(F)cncc1F ZINC000584636844 346700699 /nfs/dbraw/zinc/70/06/99/346700699.db2.gz HFYNEXTVTZWHJS-QWHCGFSZSA-N 0 0 288.297 3.133 10 30 CGEERN Cc1cnc([C@H](C)NCc2ccc(C)c(C#N)c2)o1 ZINC000599364704 347740366 /nfs/dbraw/zinc/74/03/66/347740366.db2.gz ZSVPNKGKNXVLTR-LBPRGKRZSA-N 0 0 255.321 3.014 10 30 CGEERN N#Cc1cc(Br)ccc1N[C@@H]1CCC[C@@H](O)C1 ZINC000611918973 348480665 /nfs/dbraw/zinc/48/06/65/348480665.db2.gz BPZCTFYHDWTKDS-VXGBXAGGSA-N 0 0 295.180 3.036 10 30 CGEERN CCCCCCC#C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000616580980 348835553 /nfs/dbraw/zinc/83/55/53/348835553.db2.gz BHAAFWSFVFZBJN-HUUCEWRRSA-N 0 0 295.423 3.188 10 30 CGEERN CC(=O)N1C[C@H](c2cccc(C#N)c2)Cc2ccccc21 ZINC000616674665 348863287 /nfs/dbraw/zinc/86/32/87/348863287.db2.gz WSJNTFDATLUSGP-QGZVFWFLSA-N 0 0 276.339 3.251 10 30 CGEERN N#C[C@@H](Nc1ccc(Br)cc1)[C@H]1CCCOC1 ZINC000104317342 185966950 /nfs/dbraw/zinc/96/69/50/185966950.db2.gz ZLSCSDVYNUVUAM-GXFFZTMASA-N 0 0 295.180 3.180 10 30 CGEERN CN(C(=O)[C@H]1CCCCC1(F)F)c1ccccc1C#N ZINC000297903977 200301805 /nfs/dbraw/zinc/30/18/05/200301805.db2.gz STPAEYZRZPKLTF-GFCCVEGCSA-N 0 0 278.302 3.347 10 30 CGEERN C=CCCCC(=O)NC1(c2noc(C(C)C)n2)CCCC1 ZINC000177940025 189080523 /nfs/dbraw/zinc/08/05/23/189080523.db2.gz FAMXDPRBCJKITF-UHFFFAOYSA-N 0 0 291.395 3.435 10 30 CGEERN CCc1nc(CNc2cc(C)nc(C)c2C#N)cs1 ZINC000301763369 201182020 /nfs/dbraw/zinc/18/20/20/201182020.db2.gz GMTYCTFWLGNKKU-UHFFFAOYSA-N 0 0 272.377 3.201 10 30 CGEERN COc1ccc([N+](=O)[O-])cc1/N=C\c1ccc(F)cc1 ZINC000000524252 368382896 /nfs/dbraw/zinc/38/28/96/368382896.db2.gz RTKWDRDIRWUROY-SXGWCWSVSA-N 0 0 274.251 3.493 10 30 CGEERN Oc1ccccc1/C=N/N=C/c1ccc(Cl)cc1 ZINC000002379681 368452639 /nfs/dbraw/zinc/45/26/39/368452639.db2.gz WXMYWHXZNBHAMA-CZCYGEDCSA-N 0 0 258.708 3.499 10 30 CGEERN Cc1cc(O)ccc1[C@@H](C#N)Cc1ccc(O)cc1 ZINC000013470331 368654479 /nfs/dbraw/zinc/65/44/79/368654479.db2.gz DLFGHUQKLJBNNO-CYBMUJFWSA-N 0 0 253.301 3.256 10 30 CGEERN COc1cccc(C(=O)/C=C/c2nc3ccccc3n2C)c1 ZINC000026462753 368859422 /nfs/dbraw/zinc/85/94/22/368859422.db2.gz UDPSXKVGPZLRHT-ZHACJKMWSA-N 0 0 292.338 3.478 10 30 CGEERN N#C[C@H](CCN1CCOCC1)c1cccc2ccccc21 ZINC000031622636 368915694 /nfs/dbraw/zinc/91/56/94/368915694.db2.gz WHKRMZWZYJGMCN-INIZCTEOSA-N 0 0 280.371 3.169 10 30 CGEERN N#Cc1ccc(CN[C@@H]2CCOc3ccccc32)c(F)c1 ZINC000051986690 369459742 /nfs/dbraw/zinc/45/97/42/369459742.db2.gz DSVSEYNFVSEUGQ-MRXNPFEDSA-N 0 0 282.318 3.311 10 30 CGEERN C[C@H](Nc1nccnc1C#N)c1cccc(Cl)c1 ZINC000054377654 369501981 /nfs/dbraw/zinc/50/19/81/369501981.db2.gz INJHLJRAAQKXFD-VIFPVBQESA-N 0 0 258.712 3.175 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)c1cc2ccccc2s1 ZINC000061888267 369609548 /nfs/dbraw/zinc/60/95/48/369609548.db2.gz ZCISNDYIYGINCY-VXGBXAGGSA-N 0 0 270.357 3.323 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NCc1ccc(F)c(Br)c1 ZINC000061891288 369610730 /nfs/dbraw/zinc/61/07/30/369610730.db2.gz DSQAAUFLIMKZCW-GXFFZTMASA-N 0 0 297.171 3.370 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NCc1csc(Br)c1 ZINC000061891979 369610790 /nfs/dbraw/zinc/61/07/90/369610790.db2.gz PEKFFYVSBGTLJV-ZJUUUORDSA-N 0 0 285.210 3.292 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NCc1sccc1Br ZINC000087575664 370027579 /nfs/dbraw/zinc/02/75/79/370027579.db2.gz SDUXRKOUIUHURD-WPRPVWTQSA-N 0 0 285.210 3.292 10 30 CGEERN Fc1cccc(Cl)c1C[C@H]1COCC[C@H]1S ZINC000095077087 370170816 /nfs/dbraw/zinc/17/08/16/370170816.db2.gz MQFLAMQLXUSITE-QPUJVOFHSA-N 0 0 260.761 3.357 10 30 CGEERN CC1(S)CCN(C(=O)OCc2ccccc2)CC1 ZINC000095089642 370173615 /nfs/dbraw/zinc/17/36/15/370173615.db2.gz SWQNQRPFASJIOP-UHFFFAOYSA-N 0 0 265.378 3.108 10 30 CGEERN C=CCn1c(=O)nc(-c2ccccc2)c2ccccc21 ZINC000098180567 370268880 /nfs/dbraw/zinc/26/88/80/370268880.db2.gz PXSALEGYAWCJOA-UHFFFAOYSA-N 0 0 262.312 3.250 10 30 CGEERN COC(=O)c1ccc(/N=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000100035240 370270001 /nfs/dbraw/zinc/27/00/01/370270001.db2.gz OUPXWICPRKHZRU-MHWRWJLKSA-N 0 0 284.271 3.132 10 30 CGEERN COc1ccc([N+](=O)[O-])cc1/N=C\c1cccs1 ZINC000100225729 370273626 /nfs/dbraw/zinc/27/36/26/370273626.db2.gz DTGMBGYNEJVMLN-JYRVWZFOSA-N 0 0 262.290 3.416 10 30 CGEERN CC(C)[C@H](C)CC(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 ZINC000116810935 370570159 /nfs/dbraw/zinc/57/01/59/370570159.db2.gz QFDINBKLMAGPPQ-NFAWXSAZSA-N 0 0 250.386 3.257 10 30 CGEERN C=CCC[C@@H](NC(=O)[C@@H](C)COC)c1ccccc1 ZINC000133677211 371272099 /nfs/dbraw/zinc/27/20/99/371272099.db2.gz LXDBUFKGXKEYSX-DZGCQCFKSA-N 0 0 261.365 3.093 10 30 CGEERN Cc1cnc([C@H](C)Nc2nc(C)c(C#N)cc2Cl)o1 ZINC000336817014 213691163 /nfs/dbraw/zinc/69/11/63/213691163.db2.gz ODRLTTKBUHBGFL-VIFPVBQESA-N 0 0 276.727 3.385 10 30 CGEERN C=C(C)CNC(=O)N[C@H]1c2cc(C)ccc2C[C@H]1C ZINC000156557889 371984495 /nfs/dbraw/zinc/98/44/95/371984495.db2.gz WVZLOOUWORLBRY-IUODEOHRSA-N 0 0 258.365 3.104 10 30 CGEERN N#Cc1cc(NCC2(C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000167269872 372591688 /nfs/dbraw/zinc/59/16/88/372591688.db2.gz SKXSVECTIBEBKA-UHFFFAOYSA-N 0 0 257.293 3.069 10 30 CGEERN N#Cc1ccc(CNC(=O)[C@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000172748654 373026163 /nfs/dbraw/zinc/02/61/63/373026163.db2.gz DRNGPSNGRZOOTP-SJORKVTESA-N 0 0 282.387 3.391 10 30 CGEERN CCn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C=CCCC1 ZINC000328636006 374373157 /nfs/dbraw/zinc/37/31/57/374373157.db2.gz VHBPKAINGZHNMG-UMVBOHGHSA-N 0 0 289.379 3.046 10 30 CGEERN C[C@@H]1CC(CNC(=O)C[C@@H]2CCCCC(=O)N2)C[C@@H](C)O1 ZINC000328916208 374393289 /nfs/dbraw/zinc/39/32/89/374393289.db2.gz KBPYPAFNXYBSOE-BZPMIXESSA-N 0 0 296.411 3.436 10 30 CGEERN O=C(Nc1ccc2c(c1)NC(=O)CC2)N1C[C@@H]2CCC[C@H]21 ZINC000329936781 374443282 /nfs/dbraw/zinc/44/32/82/374443282.db2.gz RTCPFTMPNWNSFF-SMDDNHRTSA-N 0 0 285.347 3.251 10 30 CGEERN CCC[C@@H](CC)Nc1cnn(-c2ncccc2C#N)c1 ZINC000186007515 374782789 /nfs/dbraw/zinc/78/27/89/374782789.db2.gz JAIHDFHXDLMFBJ-CYBMUJFWSA-N 0 0 269.352 3.130 10 30 CGEERN C=C(Br)CN1CCC[C@@H](c2nccs2)C1 ZINC000195442102 376104319 /nfs/dbraw/zinc/10/43/19/376104319.db2.gz WTKFQFGTJBHXAA-SNVBAGLBSA-N 0 0 287.226 3.231 10 30 CGEERN O=C(C=C(O)C=Cc1ccc(Cl)cc1)C(F)(F)F ZINC000217020607 376171293 /nfs/dbraw/zinc/17/12/93/376171293.db2.gz PLNKNIXKVUKCDE-ZZXKWVIFSA-N 0 0 276.641 3.444 10 30 CGEERN C[C@@H]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000235238313 376637375 /nfs/dbraw/zinc/63/73/75/376637375.db2.gz OXJPSLPFNBCRDN-MNOVXSKESA-N 0 0 274.324 3.100 10 30 CGEERN Cc1csc(C(=O)N[C@H]2CCC[C@@H]2C#N)c1Cl ZINC000235964142 376655803 /nfs/dbraw/zinc/65/58/03/376655803.db2.gz RNQXTSLDCLMGIU-BDAKNGLRSA-N 0 0 268.769 3.132 10 30 CGEERN CC#CCNC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000135968377 542088725 /nfs/dbraw/zinc/08/87/25/542088725.db2.gz DUELAVOLNYWVHT-CYBMUJFWSA-N 0 0 266.344 3.223 10 30 CGEERN N#Cc1cc(CO)cc(C(F)(F)F)c1C(F)(F)F ZINC000575340922 377882361 /nfs/dbraw/zinc/88/23/61/377882361.db2.gz GFJSODJSARUHCJ-UHFFFAOYSA-N 0 0 269.144 3.088 10 30 CGEERN COC(=O)c1cc(C(F)F)cc(C(F)(F)F)c1C#N ZINC000575344203 377883770 /nfs/dbraw/zinc/88/37/70/377883770.db2.gz VCXHYVUKCVXYOM-UHFFFAOYSA-N 0 0 279.164 3.301 10 30 CGEERN COC(=O)c1cc(C#N)cc(C(F)F)c1C(F)(F)F ZINC000575344116 377883807 /nfs/dbraw/zinc/88/38/07/377883807.db2.gz OOVKRAYMNPRVNS-UHFFFAOYSA-N 0 0 279.164 3.301 10 30 CGEERN COC(=O)Cc1c(F)c(C#N)ccc1SC(F)(F)F ZINC000575390701 377899540 /nfs/dbraw/zinc/89/95/40/377899540.db2.gz RSWWBIDXZURELE-UHFFFAOYSA-N 0 0 293.241 3.025 10 30 CGEERN CCOC(=O)c1cc(C#N)c(C(F)F)c(CC)c1 ZINC000575389382 377897499 /nfs/dbraw/zinc/89/74/99/377897499.db2.gz DVEAPMZEHJPVCD-UHFFFAOYSA-N 0 0 253.248 3.235 10 30 CGEERN CCc1cc(C#N)c(CC#N)c(OC(F)(F)F)c1 ZINC000575646721 377927021 /nfs/dbraw/zinc/92/70/21/377927021.db2.gz GVTBNEMASYSICO-UHFFFAOYSA-N 0 0 254.211 3.085 10 30 CGEERN CCc1c(C#N)ccc(CC#N)c1OC(F)(F)F ZINC000575649805 377928252 /nfs/dbraw/zinc/92/82/52/377928252.db2.gz TZITYMFWGWXNDB-UHFFFAOYSA-N 0 0 254.211 3.085 10 30 CGEERN CCOC(=O)c1cc(C#N)c(OCC)c(C(F)(F)F)c1 ZINC000575671317 377947734 /nfs/dbraw/zinc/94/77/34/377947734.db2.gz QZHJERDENIPURI-UHFFFAOYSA-N 0 0 287.237 3.152 10 30 CGEERN Cc1c(CC#N)cc(Br)cc1OC(F)F ZINC000575682921 377957084 /nfs/dbraw/zinc/95/70/84/377957084.db2.gz GKYKWZULDSGYJM-UHFFFAOYSA-N 0 0 276.080 3.425 10 30 CGEERN N#Cc1cc(Cl)c(OC(F)F)c(OC(F)F)c1 ZINC000575674142 377949297 /nfs/dbraw/zinc/94/92/97/377949297.db2.gz DIQZORLYTBWKHQ-UHFFFAOYSA-N 0 0 269.581 3.414 10 30 CGEERN Nc1c(F)c(C(F)(F)F)ccc1OC(F)(F)F ZINC000575397407 377904918 /nfs/dbraw/zinc/90/49/18/377904918.db2.gz ZXKPVLWKBDQDEU-UHFFFAOYSA-N 0 0 263.112 3.325 10 30 CGEERN Nc1ccc(F)c(OC(F)(F)F)c1C(F)(F)F ZINC000575397365 377904961 /nfs/dbraw/zinc/90/49/61/377904961.db2.gz PTVBGIKGZVFNAQ-UHFFFAOYSA-N 0 0 263.112 3.325 10 30 CGEERN CC(C)(C)OC(=O)N[C@@]1(C#N)CCCC(C)(C)C1 ZINC000575497667 377915991 /nfs/dbraw/zinc/91/59/91/377915991.db2.gz YLGFCSREVDIVMY-AWEZNQCLSA-N 0 0 252.358 3.374 10 30 CGEERN N#Cc1cc(F)c(Br)c(C(F)(F)F)c1 ZINC000575688874 377964514 /nfs/dbraw/zinc/96/45/14/377964514.db2.gz VYBYMHXGZFYDKT-UHFFFAOYSA-N 0 0 268.007 3.479 10 30 CGEERN N#Cc1cc(Cl)cc([N+](=O)[O-])c1C(F)(F)F ZINC000575693571 377968232 /nfs/dbraw/zinc/96/82/32/377968232.db2.gz BHLLSQJSVNMJMP-UHFFFAOYSA-N 0 0 250.563 3.139 10 30 CGEERN Cc1csc([C@@H]2CCCN(c3ccnc(C#N)c3)C2)n1 ZINC000408103243 379993332 /nfs/dbraw/zinc/99/33/32/379993332.db2.gz GMFONZCVQULQJR-GFCCVEGCSA-N 0 0 284.388 3.102 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)CCSc1ccccc1F ZINC000359678516 381362537 /nfs/dbraw/zinc/36/25/37/381362537.db2.gz POPYEJXTKQXSEG-YPMHNXCESA-N 0 0 292.379 3.116 10 30 CGEERN C[C@H](NC(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)[C@H]1CCCO1 ZINC000328656146 542444361 /nfs/dbraw/zinc/44/43/61/542444361.db2.gz NNFIIZDHYVPDOA-AALSBFMBSA-N 0 0 294.439 3.416 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)N1CCC=C(c2ccccc2)C1 ZINC000332834393 542450664 /nfs/dbraw/zinc/45/06/64/542450664.db2.gz CGEYGQZRXZOSRZ-NVXWUHKLSA-N 0 0 295.386 3.178 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1cccc(C2CCC2)c1 ZINC000332734411 542450671 /nfs/dbraw/zinc/45/06/71/542450671.db2.gz QWIBOTIBRRITOU-CVEARBPZSA-N 0 0 268.360 3.376 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000332792652 542451017 /nfs/dbraw/zinc/45/10/17/542451017.db2.gz FAXATVHJNCZDLH-CWVYHPPDSA-N 0 0 274.408 3.401 10 30 CGEERN C[C@@H](CCC1CC1)NC(=O)[C@@H]1CCO[C@H]1c1ccnn1C ZINC000330156975 533520833 /nfs/dbraw/zinc/52/08/33/533520833.db2.gz YZUOLJXREGJINN-NJZAAPMLSA-N 0 0 291.395 3.033 10 30 CGEERN COc1cc(/C=N/O)ccc1OCc1ccccc1C ZINC000103858245 533482862 /nfs/dbraw/zinc/48/28/62/533482862.db2.gz QGSBJZMNHZPBGR-LICLKQGHSA-N 0 0 271.316 3.391 10 30 CGEERN Cc1ccc([C@@H]2CCCCN2C(=O)c2ccnc(C#N)c2)o1 ZINC000193340306 130615224 /nfs/dbraw/zinc/61/52/24/130615224.db2.gz QTWJGDXQXGRVSL-HNNXBMFYSA-N 0 0 295.342 3.222 10 30 CGEERN Cc1cc2c(n1C)CCC[C@@H]2Nc1ncccc1C#N ZINC000301061091 392584431 /nfs/dbraw/zinc/58/44/31/392584431.db2.gz ADFAPYBELMQOMN-AWEZNQCLSA-N 0 0 266.348 3.090 10 30 CGEERN Cc1cc(N2CC[C@H](CC(C)C)C2)c(C#N)c(C)n1 ZINC000301791018 392597880 /nfs/dbraw/zinc/59/78/80/392597880.db2.gz QQEOQHCKKJZEMF-CQSZACIVSA-N 0 0 257.381 3.443 10 30 CGEERN C[C@@H](C#N)CNC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000182345201 392744731 /nfs/dbraw/zinc/74/47/31/392744731.db2.gz XNVYSHWGTDMAJO-QWHCGFSZSA-N 0 0 281.359 3.360 10 30 CGEERN C#C[C@H](C)NC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000186069640 392776782 /nfs/dbraw/zinc/77/67/82/392776782.db2.gz IWFRZYDRRHBSJR-DZGCQCFKSA-N 0 0 298.386 3.144 10 30 CGEERN Cc1sc2ncnc(N[C@@H]3CCC[C@H]3C#N)c2c1C ZINC000408327716 392971887 /nfs/dbraw/zinc/97/18/87/392971887.db2.gz GEYLQEYZBAPBMW-WDEREUQCSA-N 0 0 272.377 3.412 10 30 CGEERN C#CC[C@H](O)c1cc(Cl)c(C)cc1Br ZINC000306219972 397677026 /nfs/dbraw/zinc/67/70/26/397677026.db2.gz GZIQEUPTNLIRON-NSHDSACASA-N 0 0 273.557 3.468 10 30 CGEERN Cc1sc([C@@H]2CC[C@@H](C=O)O2)cc1Br ZINC000307521998 397680966 /nfs/dbraw/zinc/68/09/66/397680966.db2.gz BHADQUQHONGMPK-CBAPKCEASA-N 0 0 275.167 3.238 10 30 CGEERN N#CC[C@H]1CC[C@H](c2occc2Br)O1 ZINC000307523350 397681008 /nfs/dbraw/zinc/68/10/08/397681008.db2.gz DEBDHOVAWUNWTB-VXNVDRBHSA-N 0 0 256.099 3.176 10 30 CGEERN N#C[C@]1(c2ccc(Br)cn2)CCCS1 ZINC000307520018 397681045 /nfs/dbraw/zinc/68/10/45/397681045.db2.gz PFWMTADXGMRLCL-JTQLQIEISA-N 0 0 269.167 3.090 10 30 CGEERN N#Cc1c(Cl)cccc1NC[C@H]1CCCC[C@H]1O ZINC000086015225 165181957 /nfs/dbraw/zinc/18/19/57/165181957.db2.gz DLFBNQYBDRXWJM-QMTHXVAHSA-N 0 0 264.756 3.175 10 30 CGEERN C[C@@H]1C[C@H]1Nc1cccc(Br)c1C#N ZINC000164992901 165482227 /nfs/dbraw/zinc/48/22/27/165482227.db2.gz WWESQLPSSLBUCO-RDDDGLTNSA-N 0 0 251.127 3.141 10 30 CGEERN c1c[nH]c(CC(=NNc2ccccc2)c2ccccc2)n1 ZINC000005827881 170144521 /nfs/dbraw/zinc/14/45/21/170144521.db2.gz HFVSKXYROMFJSV-LTGZKZEYSA-N 0 0 276.343 3.469 10 30 CGEERN COc1cc(C=Nc2ccc3[nH]cnc3c2)ccc1O ZINC000005940232 170159369 /nfs/dbraw/zinc/15/93/69/170159369.db2.gz YITLCEKEUJDGQW-LZYBPNLTSA-N 0 0 267.288 3.028 10 30 CGEERN Cl/C(=N/Cc1ccccc1)n1nnc2ccccc21 ZINC000005946645 170160287 /nfs/dbraw/zinc/16/02/87/170160287.db2.gz VRWRLVUABDGOHZ-PEZBUJJGSA-N 0 0 270.723 3.074 10 30 CGEERN Cc1cc(C)cc(S(=O)(=O)c2cccc(F)c2C#N)c1 ZINC000006521924 170209385 /nfs/dbraw/zinc/20/93/85/170209385.db2.gz IIJZOAOJOVESFL-UHFFFAOYSA-N 0 0 289.331 3.147 10 30 CGEERN CCc1ccc(C(=O)COc2ccc(C#N)cc2)s1 ZINC000007125830 170267930 /nfs/dbraw/zinc/26/79/30/170267930.db2.gz ZAKQSMMENCRNKU-UHFFFAOYSA-N 0 0 271.341 3.444 10 30 CGEERN CCc1cc(Br)ccc1O[C@@H](C)C#N ZINC000011944785 170459846 /nfs/dbraw/zinc/45/98/46/170459846.db2.gz MEWAJWYWFCVMPX-QMMMGPOBSA-N 0 0 254.127 3.302 10 30 CGEERN C[C@@H](Nc1cccc(C#N)c1)c1ccc(O)cc1O ZINC000019922144 170929125 /nfs/dbraw/zinc/92/91/25/170929125.db2.gz MZWZASNKEDKOQR-SNVBAGLBSA-N 0 0 254.289 3.143 10 30 CGEERN C/C(=N\O)c1ccccc1NC(=O)c1ccc(C)o1 ZINC000020252669 171105040 /nfs/dbraw/zinc/10/50/40/171105040.db2.gz AJURXIMTVVZTON-MHWRWJLKSA-N 0 0 258.277 3.039 10 30 CGEERN N#Cc1ccc(Oc2cccc(Cl)c2CO)cc1 ZINC000020435395 171201405 /nfs/dbraw/zinc/20/14/05/171201405.db2.gz ZHQAMKDHXSHXQF-UHFFFAOYSA-N 0 0 259.692 3.496 10 30 CGEERN Cc1ccc(N)cc1NC(=O)Nc1ccc(C#N)cc1 ZINC000022173181 171368828 /nfs/dbraw/zinc/36/88/28/171368828.db2.gz RUIIFHZRZWDFSG-UHFFFAOYSA-N 0 0 266.304 3.093 10 30 CGEERN CCNc1oc(COc2cccc(Cl)c2)nc1C#N ZINC000032675308 171744145 /nfs/dbraw/zinc/74/41/45/171744145.db2.gz NATYXIHYJHVTJG-UHFFFAOYSA-N 0 0 277.711 3.210 10 30 CGEERN N#CC[C@@](O)(c1ccccc1)c1ccccc1Cl ZINC000033506261 171808633 /nfs/dbraw/zinc/80/86/33/171808633.db2.gz MGXGWVQXYJJOQW-OAHLLOKOSA-N 0 0 257.720 3.490 10 30 CGEERN C/C(=N\OC(=O)c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000033565525 171813790 /nfs/dbraw/zinc/81/37/90/171813790.db2.gz YNALQFAFSNJCME-NTEUORMPSA-N 0 0 290.300 3.237 10 30 CGEERN Cc1ccc(N)cc1OCc1ccc(C#N)cc1F ZINC000035678223 172349312 /nfs/dbraw/zinc/34/93/12/172349312.db2.gz MLIABGFWKFMTJU-UHFFFAOYSA-N 0 0 256.280 3.167 10 30 CGEERN N#CCOc1cccc(CNc2cccnc2Cl)c1 ZINC000037283573 173091144 /nfs/dbraw/zinc/09/11/44/173091144.db2.gz QQAVIFYPAIXLAQ-UHFFFAOYSA-N 0 0 273.723 3.249 10 30 CGEERN N#C[C@H](C(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000037345654 173143096 /nfs/dbraw/zinc/14/30/96/173143096.db2.gz HZTRACIYMAWQHU-AWEZNQCLSA-N 0 0 257.239 3.455 10 30 CGEERN COc1cccc(N[C@@H](C#N)c2ccc(O)cc2)c1 ZINC000037937781 173878222 /nfs/dbraw/zinc/87/82/22/173878222.db2.gz LACGIIIQTCTJBW-HNNXBMFYSA-N 0 0 254.289 3.078 10 30 CGEERN CC[C@@H](C)N[C@@H](C#N)c1cc(Br)ccc1OC ZINC000038064434 174075203 /nfs/dbraw/zinc/07/52/03/174075203.db2.gz ZKDFROQMPVBMGA-SKDRFNHKSA-N 0 0 297.196 3.410 10 30 CGEERN COc1ccc(COc2ccnc(Cl)c2C#N)cc1 ZINC000038219305 174137608 /nfs/dbraw/zinc/13/76/08/174137608.db2.gz UBRBDTVZGBURQX-UHFFFAOYSA-N 0 0 274.707 3.194 10 30 CGEERN CCC[C@H](C#N)NC(=O)Nc1ccc(C)c(Cl)c1 ZINC000040220807 174206955 /nfs/dbraw/zinc/20/69/55/174206955.db2.gz PVNYVZYDGKFURI-LLVKDONJSA-N 0 0 265.744 3.462 10 30 CGEERN CC(C)[C@H](C#N)NC(=O)Nc1cccc(Cl)c1 ZINC000071573878 176200582 /nfs/dbraw/zinc/20/05/82/176200582.db2.gz GYVNSRFUJGUBOV-NSHDSACASA-N 0 0 251.717 3.010 10 30 CGEERN C[C@H]1CN(c2ccc(Br)cc2C#N)CCS1 ZINC000130446618 287355976 /nfs/dbraw/zinc/35/59/76/287355976.db2.gz QABIXYFVGOQHLG-VIFPVBQESA-N 0 0 297.221 3.262 10 30 CGEERN O=C(C[C@@H]1C[C@H]1c1ccccc1)N[C@@H]1CCc2c[nH]nc2C1 ZINC000329165105 227334269 /nfs/dbraw/zinc/33/42/69/227334269.db2.gz HIVVNXDKFXVGNC-XHSDSOJGSA-N 0 0 295.386 3.417 10 30 CGEERN O=C(NC(C1CCC1)C1CCC1)N[C@@H]1CCCC[C@H]1CO ZINC000329310885 227429856 /nfs/dbraw/zinc/42/98/56/227429856.db2.gz QYPCNKYJFZYRSH-LSDHHAIUSA-N 0 0 294.439 3.010 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)Nc1scnc1C1CC1 ZINC000329741494 227933633 /nfs/dbraw/zinc/93/36/33/227933633.db2.gz OQBZDDYBBGNEDN-VHSXEESVSA-N 0 0 276.365 3.039 10 30 CGEERN O=C(NCc1nnc(C2CC2)o1)[C@@H]1CCc2ccccc21 ZINC000330305777 228122351 /nfs/dbraw/zinc/12/23/51/228122351.db2.gz QYWZRZABFNBVAO-CYBMUJFWSA-N 0 0 283.331 3.134 10 30 CGEERN C=C(C)C[C@H](C)C(=O)N1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000366195889 262570828 /nfs/dbraw/zinc/57/08/28/262570828.db2.gz WQWCGCYZAGGULE-ZOBUZTSGSA-N 0 0 290.407 3.043 10 30 CGEERN N#CCCCCNC(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000179307862 265750109 /nfs/dbraw/zinc/75/01/09/265750109.db2.gz QPFXCSOWSQYNOL-HNNXBMFYSA-N 0 0 289.354 3.196 10 30 CGEERN C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC000119311942 267321592 /nfs/dbraw/zinc/32/15/92/267321592.db2.gz CJZAMEYEAFPIII-HOTGVXAUSA-N 0 0 286.419 3.235 10 30 CGEERN C=C[C@H](N(Cc1ccccc1)C(C)=O)C(F)(F)F ZINC000021988053 277912259 /nfs/dbraw/zinc/91/22/59/277912259.db2.gz HJVOBIPLLYZQBD-LBPRGKRZSA-N 0 0 257.255 3.152 10 30 CGEERN Cc1nc(N2CCO[C@H]3CCCC[C@H]32)c(Cl)cc1C#N ZINC000292816834 293299892 /nfs/dbraw/zinc/29/98/92/293299892.db2.gz ZLDQIVMLGDPXOH-KGLIPLIRSA-N 0 0 291.782 3.063 10 30 CGEERN CC(C)(C#N)CC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000408274348 327376818 /nfs/dbraw/zinc/37/68/18/327376818.db2.gz KNDOLUKQPBJYJR-VHSXEESVSA-N 0 0 276.302 3.164 10 30 CGEERN Cc1coc(NC(=O)c2ccc3ccccc3n2)c1C#N ZINC000583652981 328727073 /nfs/dbraw/zinc/72/70/73/328727073.db2.gz OQJRRKYMCOJVIE-UHFFFAOYSA-N 0 0 277.283 3.260 10 30 CGEERN C=CCCCC(=O)N1CCC(Cc2ccccn2)CC1 ZINC000175600691 329170046 /nfs/dbraw/zinc/17/00/46/329170046.db2.gz XYJAIIHIANCKCZ-UHFFFAOYSA-N 0 0 272.392 3.219 10 30 CGEERN C=C(C)C[C@@H](C)C(=O)N1CCC[C@H]1c1c(C)nn(C)c1C ZINC000185543688 329326368 /nfs/dbraw/zinc/32/63/68/329326368.db2.gz LOEJQWHJZPZTCM-DOMZBBRYSA-N 0 0 289.423 3.303 10 30 CGEERN CCCCCCCCOCC(=O)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000188661973 329371602 /nfs/dbraw/zinc/37/16/02/329371602.db2.gz WJWGXYZEHIRXIU-BZUAXINKSA-N 0 0 297.439 3.047 10 30 CGEERN C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C)c2ccccc21 ZINC000125848773 329587693 /nfs/dbraw/zinc/58/76/93/329587693.db2.gz XOTDGILNVUYHSA-INIZCTEOSA-N 0 0 298.430 3.495 10 30 CGEERN C[C@H](CC#N)N(C)C(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000248599032 329895575 /nfs/dbraw/zinc/89/55/75/329895575.db2.gz UDPXIBSPHQKQDO-UPJWGTAASA-N 0 0 250.386 3.209 10 30 CGEERN Cc1ccc(S(=O)(=O)OC[C@H](C)C(C)(C)C)cc1 ZINC000536958154 330383719 /nfs/dbraw/zinc/38/37/19/330383719.db2.gz HPBABXASOMTQFD-LBPRGKRZSA-N 0 0 270.394 3.383 10 30 CGEERN CCC[C@H](CC(C)C)C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000308092076 333024535 /nfs/dbraw/zinc/02/45/35/333024535.db2.gz STUXEFCKJIUYAC-HZSPNIEDSA-N 0 0 250.386 3.257 10 30 CGEERN C=CCC[C@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC000188924791 333176368 /nfs/dbraw/zinc/17/63/68/333176368.db2.gz BYYUDUULZJMXIY-INMHGKMJSA-N 0 0 287.403 3.372 10 30 CGEERN CC[C@](C)(C#N)C(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000136277816 334151226 /nfs/dbraw/zinc/15/12/26/334151226.db2.gz MVFXSFKWUZZNFZ-XHDPSFHLSA-N 0 0 262.328 3.251 10 30 CGEERN CC(C)CN(c1cc(Cl)ccc1/C(N)=N/O)C(C)C ZINC000062789489 519719142 /nfs/dbraw/zinc/71/91/42/519719142.db2.gz MJSGAYONRCVWLC-UHFFFAOYSA-N 0 0 283.803 3.305 10 30 CGEERN CCOC1CCN([C@H](CC#N)c2ccccc2)CC1 ZINC000055020258 521656614 /nfs/dbraw/zinc/65/66/14/521656614.db2.gz NTABEEZOZRODOI-MRXNPFEDSA-N 0 0 258.365 3.142 10 30 CGEERN COc1cc(N)ccc1Oc1ccc(C#N)cc1F ZINC000050505787 522627849 /nfs/dbraw/zinc/62/78/49/522627849.db2.gz NEZRPGCPHSIUJZ-UHFFFAOYSA-N 0 0 258.252 3.080 10 30 CGEERN CC[C@@H]1CCCCN1c1ccc(Cl)cc1/C(N)=N/O ZINC000052860521 523181683 /nfs/dbraw/zinc/18/16/83/523181683.db2.gz MLIIKHBHCBCIKC-LLVKDONJSA-N 0 0 281.787 3.203 10 30 CGEERN C[C@H](N[C@@H]1CCCC[C@@H]1C#N)c1ccc(C#N)cc1 ZINC000054825657 525553306 /nfs/dbraw/zinc/55/33/06/525553306.db2.gz VFPOTIPPFSEIAZ-APHBMKBZSA-N 0 0 253.349 3.291 10 30 CGEERN N#C[C@@H]1CCCC[C@@H]1NCc1ccc(F)cc1F ZINC000054829060 526499305 /nfs/dbraw/zinc/49/93/05/526499305.db2.gz WPLGIWBOMKTRNY-HZMBPMFUSA-N 0 0 250.292 3.137 10 30 CGEERN N#C[C@H](C(=O)[C@@H]1CCCOC1)c1ccc(F)cc1Cl ZINC000062610776 526507228 /nfs/dbraw/zinc/50/72/28/526507228.db2.gz GOZWDGQLTZDCAL-SKDRFNHKSA-N 0 0 281.714 3.082 10 30 CGEERN N/C(=N/O)c1ccc(Cl)cc1N1CCCCCCC1 ZINC000062789327 526803013 /nfs/dbraw/zinc/80/30/13/526803013.db2.gz MIMQQHWVMQGDMH-UHFFFAOYSA-N 0 0 281.787 3.205 10 30 CGEERN CCCCCCCS(=O)(=O)N[C@@H]1COc2ccccc21 ZINC000195194457 619147499 /nfs/dbraw/zinc/14/74/99/619147499.db2.gz QOMVUDPRVXCPEN-CQSZACIVSA-N 0 0 297.420 3.010 10 30 CGEERN C#C[C@H](C)NC(=O)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000186025558 625504154 /nfs/dbraw/zinc/50/41/54/625504154.db2.gz ZXBQILZBLQXVSJ-STQMWFEESA-N 0 0 258.365 3.192 10 30 CGEERN CCCCCCCC(=O)N[C@H]1CCCC[C@H]1CO ZINC000151127745 622733044 /nfs/dbraw/zinc/73/30/44/622733044.db2.gz GRUNBFMZKHWOFN-KBPBESRZSA-N 0 0 255.402 3.014 10 30 CGEERN C=CCCO[C@@H](C)C(=O)O[C@@H](C)Cc1ccc(OC)cc1 ZINC000102970281 626189014 /nfs/dbraw/zinc/18/90/14/626189014.db2.gz NPPAMMJMIGFYTH-KBPBESRZSA-N 0 0 292.375 3.151 10 30 CGEERN C=CCCC(=O)Oc1ccc(C)cc1C(=O)NCC(C)C ZINC000102241418 634670897 /nfs/dbraw/zinc/67/08/97/634670897.db2.gz CMBXBSZQUJKIEU-UHFFFAOYSA-N 0 0 289.375 3.252 10 30 CGEERN COc1cccc(/C=N/[C@H]2CCOc3ccccc32)c1O ZINC000022690613 635504935 /nfs/dbraw/zinc/50/49/35/635504935.db2.gz CFNGVJYCAWPNLB-BGARDKSCSA-N 0 0 283.327 3.344 10 30 CGEERN C#Cc1cccc(N(CC)Cc2nc(-c3ccoc3)no2)c1 ZINC000105614513 635960534 /nfs/dbraw/zinc/96/05/34/635960534.db2.gz DBRBLLUXLQGIIB-UHFFFAOYSA-N 0 0 293.326 3.337 10 30 CGEERN C=CCCO[C@@H](C)C(=O)O[C@H](C)c1nc2ccccc2[nH]1 ZINC000132206279 636792413 /nfs/dbraw/zinc/79/24/13/636792413.db2.gz VGIBMRNFRLGPHS-NEPJUHHUSA-N 0 0 288.347 3.148 10 30 CGEERN C=C[C@H](CC(=O)O[C@@H](C)[C@H]1CCOC1)c1ccccc1 ZINC000132311277 636800509 /nfs/dbraw/zinc/80/05/09/636800509.db2.gz OUYRCWCBYWIJNV-LZWOXQAQSA-N 0 0 274.360 3.315 10 30 CGEERN Cc1ccccc1[C@H](C)NC(=O)C#Cc1ccccc1 ZINC000080492081 640487167 /nfs/dbraw/zinc/48/71/67/640487167.db2.gz YKUFMBCGAYLTRL-HNNXBMFYSA-N 0 0 263.340 3.224 10 30 CGEERN Cc1ccc(S(=O)(=O)/C=C\C#C[Si](C)(C)C)cc1 ZINC000195796973 640595973 /nfs/dbraw/zinc/59/59/73/640595973.db2.gz KNLQCDDVDVXQNF-WZUFQYTHSA-N 0 0 278.449 3.163 10 30 CGEERN O=C(/C=C\c1cocn1)c1ccc(F)cc1OC(F)F ZINC000588579488 799716634 /nfs/dbraw/zinc/71/66/34/799716634.db2.gz SRHFYLZIIKAHAX-RQOWECAXSA-N 0 0 283.205 3.311 10 30 CGEERN CC(C)=NOc1ccc(Br)cc1C#N ZINC000095933687 185033194 /nfs/dbraw/zinc/03/31/94/185033194.db2.gz FITREKCGPGPMEC-UHFFFAOYSA-N 0 0 253.099 3.095 10 30 CGEERN N#CC[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000041323251 344968416 /nfs/dbraw/zinc/96/84/16/344968416.db2.gz GMSYWEJJUWFYFA-OAHLLOKOSA-N 0 0 253.301 3.007 10 30 CGEERN CC(C)N[C@@H](C#N)c1ccc(Br)s1 ZINC000041678754 344972749 /nfs/dbraw/zinc/97/27/49/344972749.db2.gz BKSGVFNKOYIQLG-ZETCQYMHSA-N 0 0 259.172 3.073 10 30 CGEERN CCOc1ccc([C@@H](O)C#Cc2ccccc2)cc1 ZINC000034547171 344940017 /nfs/dbraw/zinc/94/00/17/344940017.db2.gz XRVLBTNUJGJPLG-KRWDZBQOSA-N 0 0 252.313 3.170 10 30 CGEERN CC[C@H](C#N)C(=O)c1ccc(F)cc1Br ZINC000036915907 344945776 /nfs/dbraw/zinc/94/57/76/344945776.db2.gz MRVKEHBSTJIBHS-SSDOTTSWSA-N 0 0 270.101 3.321 10 30 CGEERN COc1ccc(Cl)c(-n2c(C)c(C)c(C#N)c2N)c1 ZINC000043318389 344996775 /nfs/dbraw/zinc/99/67/75/344996775.db2.gz UAVPVZGCIDAVKL-UHFFFAOYSA-N 0 0 275.739 3.210 10 30 CGEERN C[C@H](C#N)Nc1c(F)cc(F)cc1Br ZINC000043514804 345000496 /nfs/dbraw/zinc/00/04/96/345000496.db2.gz OVBHSDCPXKCCDT-RXMQYKEDSA-N 0 0 261.069 3.051 10 30 CGEERN CCC1CCC(NC(=O)C(C#N)(CC)CC)CC1 ZINC000044766482 345016570 /nfs/dbraw/zinc/01/65/70/345016570.db2.gz MPECVGJHUAKWNH-UHFFFAOYSA-N 0 0 250.386 3.401 10 30 CGEERN N#Cc1c(Cl)cccc1NCC[C@@H]1CCCO1 ZINC000047873303 345056187 /nfs/dbraw/zinc/05/61/87/345056187.db2.gz NGCHKSXLOKIRGV-JTQLQIEISA-N 0 0 250.729 3.193 10 30 CGEERN N#CCCNc1cc(Br)ccc1Cl ZINC000061691397 345231147 /nfs/dbraw/zinc/23/11/47/345231147.db2.gz DLJAVWZOEAKZIB-UHFFFAOYSA-N 0 0 259.534 3.428 10 30 CGEERN C=CCN1C(=S)N=NC1CCCOc1ccccc1C ZINC000064871971 345265768 /nfs/dbraw/zinc/26/57/68/345265768.db2.gz DVSXUZWHPZPEHC-UHFFFAOYSA-N 0 0 289.404 3.073 10 30 CGEERN CCSC[C@H](C)N(C)c1ccc([N+](=O)[O-])cc1C#N ZINC000074770612 345480937 /nfs/dbraw/zinc/48/09/37/345480937.db2.gz SVCCBDXBVRYDFO-JTQLQIEISA-N 0 0 279.365 3.044 10 30 CGEERN CCCCCCCCCCCCC(CO)(CO)CO ZINC000117283093 345982520 /nfs/dbraw/zinc/98/25/20/345982520.db2.gz ZYRWFEVQVPPGPO-UHFFFAOYSA-N 0 0 274.445 3.261 10 30 CGEERN C#CC[C@H](CC)Nc1ncc(Br)cc1C ZINC000130910653 346061369 /nfs/dbraw/zinc/06/13/69/346061369.db2.gz KMCBJNQFYJDOJW-NSHDSACASA-N 0 0 267.170 3.366 10 30 CGEERN CCCCCCCCOC(=O)C(=O)OCC(C)C ZINC000136533038 346091352 /nfs/dbraw/zinc/09/13/52/346091352.db2.gz UPSIDEFNJCYUBF-UHFFFAOYSA-N 0 0 258.358 3.089 10 30 CGEERN C#CC[C@H](CC)Nc1ncccc1Br ZINC000131176766 346063556 /nfs/dbraw/zinc/06/35/56/346063556.db2.gz SSCAMKILUKYDSC-VIFPVBQESA-N 0 0 253.143 3.058 10 30 CGEERN CC#CCCNc1ccc(I)cc1 ZINC000161173365 346174727 /nfs/dbraw/zinc/17/47/27/346174727.db2.gz KXRYMSVSCASIBN-UHFFFAOYSA-N 0 0 285.128 3.117 10 30 CGEERN CC(C)c1ccc([C@@H](C)CC(=O)N[C@H](C)C#N)cc1 ZINC000157356487 346161423 /nfs/dbraw/zinc/16/14/23/346161423.db2.gz BVSRALBUILTZIS-QWHCGFSZSA-N 0 0 258.365 3.332 10 30 CGEERN C[C@@H](O)c1ccncc1-c1ccc(C#N)c(OC(F)F)c1 ZINC000166613070 346187053 /nfs/dbraw/zinc/18/70/53/346187053.db2.gz ZNSYNMRXKMQTFB-SECBINFHSA-N 0 0 290.269 3.275 10 30 CGEERN C=C(Br)CNc1ccc(Cl)cc1N ZINC000168190687 346189703 /nfs/dbraw/zinc/18/97/03/346189703.db2.gz AXWBWSHPCCKLBR-UHFFFAOYSA-N 0 0 261.550 3.243 10 30 CGEERN COc1ccc2c(c1)C(=O)/C(=C/c1cccc(F)c1)O2 ZINC000221605824 346298302 /nfs/dbraw/zinc/29/83/02/346298302.db2.gz DYLRYVPRAMKLTJ-NVNXTCNLSA-N 0 0 270.259 3.451 10 30 CGEERN C#CC(C)(C)Oc1ccc(Br)cc1C=O ZINC000222185334 346299143 /nfs/dbraw/zinc/29/91/43/346299143.db2.gz XZJXCKAJVUQABR-UHFFFAOYSA-N 0 0 267.122 3.052 10 30 CGEERN COC(=O)c1ccc(/C=[N+](\[O-])c2ccc(Cl)cc2)cc1 ZINC000225389376 346304137 /nfs/dbraw/zinc/30/41/37/346304137.db2.gz LQOIVRDRQXXUKV-YVLHZVERSA-N 0 0 290.726 3.279 10 30 CGEERN CC#CC(=O)Nc1c(C)cc(Br)cc1C ZINC000232636801 346326703 /nfs/dbraw/zinc/32/67/03/346326703.db2.gz QFAKQQAARLGWQL-UHFFFAOYSA-N 0 0 266.138 3.028 10 30 CGEERN C=C[C@H]([NH3+])c1cc(Cl)ccc1I ZINC000229298828 346316812 /nfs/dbraw/zinc/31/68/12/346316812.db2.gz MKKCPFQYTJBDCK-VIFPVBQESA-N 0 0 293.535 3.130 10 30 CGEERN Cc1c(Br)cccc1N[C@@H](C)CC#N ZINC000232241535 346325290 /nfs/dbraw/zinc/32/52/90/346325290.db2.gz MEKGEJXZEDUMHJ-QMMMGPOBSA-N 0 0 253.143 3.472 10 30 CGEERN N#Cc1cc(I)c2ccccc2c1 ZINC000238580764 346350047 /nfs/dbraw/zinc/35/00/47/346350047.db2.gz ILPUBQDIDHICHN-UHFFFAOYSA-N 0 0 279.080 3.316 10 30 CGEERN C=C(CC)CNc1nc(Cl)ncc1Br ZINC000306164059 346451023 /nfs/dbraw/zinc/45/10/23/346451023.db2.gz HSGSVPJVMCODRR-UHFFFAOYSA-N 0 0 276.565 3.271 10 30 CGEERN O=C(C#CBr)Nc1cc(Cl)ccc1Cl ZINC000306256365 346452310 /nfs/dbraw/zinc/45/23/10/346452310.db2.gz XPYYEISKUIITFG-UHFFFAOYSA-N 0 0 292.947 3.288 10 30 CGEERN N#C[C@H]1CCCC[C@@H]1NCc1ccc(Br)o1 ZINC000378972851 346554257 /nfs/dbraw/zinc/55/42/57/346554257.db2.gz KJJKLJNBAVWZBL-KOLCDFICSA-N 0 0 283.169 3.214 10 30 CGEERN N#CC1(NCc2ccccc2)C[C@H]2CC[C@@H](C1)S2 ZINC000403543912 346597154 /nfs/dbraw/zinc/59/71/54/346597154.db2.gz DLBCBXNWLSRCJM-YIONKMFJSA-N 0 0 258.390 3.097 10 30 CGEERN N#Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1CO ZINC000514260803 346635739 /nfs/dbraw/zinc/63/57/39/346635739.db2.gz LGPQUIZDRIZHGA-UHFFFAOYSA-N 0 0 269.144 3.088 10 30 CGEERN N#CCc1cc(O)cc(C(F)(F)F)c1C(F)(F)F ZINC000514262996 346636371 /nfs/dbraw/zinc/63/63/71/346636371.db2.gz LUEBATRYRQQHHE-UHFFFAOYSA-N 0 0 269.144 3.496 10 30 CGEERN N#CCc1cc(C(F)(F)F)ncc1C(F)(F)F ZINC000514262653 346636456 /nfs/dbraw/zinc/63/64/56/346636456.db2.gz TZQZIJQHBWGOOL-UHFFFAOYSA-N 0 0 254.133 3.185 10 30 CGEERN N#C[C@@H](c1cccc(F)c1)[C@@H](CCO)c1cncs1 ZINC000584639366 346702241 /nfs/dbraw/zinc/70/22/41/346702241.db2.gz WLJZMIYVOAFMOH-OLZOCXBDSA-N 0 0 276.336 3.056 10 30 CGEERN N#C[C@@H](c1cncs1)[C@@H](CCO)c1c(F)cccc1F ZINC000584639370 346702245 /nfs/dbraw/zinc/70/22/45/346702245.db2.gz WNOVWMLFSCYNGP-NXEZZACHSA-N 0 0 294.326 3.195 10 30 CGEERN N#Cc1csc(/C=C2\OC(=O)c3ccccc32)c1 ZINC000584654643 346705060 /nfs/dbraw/zinc/70/50/60/346705060.db2.gz KNBWKJFGLIYMEQ-MLPAPPSSSA-N 0 0 253.282 3.288 10 30 CGEERN COC(=O)CC1=CC(=O)[C@@H](c2ccc(Cl)cc2)CC1 ZINC000584616587 346693692 /nfs/dbraw/zinc/69/36/92/346693692.db2.gz XIVSWMBXTJNRFY-CYBMUJFWSA-N 0 0 278.735 3.276 10 30 CGEERN Cc1cc(Cl)c(C#N)c(OCc2ccccc2)n1 ZINC000584633542 346699733 /nfs/dbraw/zinc/69/97/33/346699733.db2.gz QQOAUJPWMBNYIJ-UHFFFAOYSA-N 0 0 258.708 3.494 10 30 CGEERN N#C[C@H](c1cccnc1)[C@@H](CCO)c1c(F)cccc1F ZINC000584633653 346699876 /nfs/dbraw/zinc/69/98/76/346699876.db2.gz YQVODFBLVMAOTQ-CHWSQXEVSA-N 0 0 288.297 3.133 10 30 CGEERN N#C[C@@H]1CCCC[C@@H]1NCc1csc(C2CC2)n1 ZINC000595695058 347339668 /nfs/dbraw/zinc/33/96/68/347339668.db2.gz RQCDGFJMQCTNTK-AAEUAGOBSA-N 0 0 261.394 3.192 10 30 CGEERN N#Cc1ccc(N[C@H]2CCC[C@@H](O)C2)c(Br)c1 ZINC000611181671 348426901 /nfs/dbraw/zinc/42/69/01/348426901.db2.gz VADNIEJKIGMMLL-WDEREUQCSA-N 0 0 295.180 3.036 10 30 CGEERN CCOC(=O)N1CCCC[C@H]1c1cccc(C#N)c1 ZINC000616616269 348846322 /nfs/dbraw/zinc/84/63/22/348846322.db2.gz CLIBUSRTLUYKRL-AWEZNQCLSA-N 0 0 258.321 3.242 10 30 CGEERN CCOC(=O)N1CCC[C@@H](c2cccc(C#N)c2)CC1 ZINC000616629072 348851885 /nfs/dbraw/zinc/85/18/85/348851885.db2.gz RLZHDGMQVWTOQF-CQSZACIVSA-N 0 0 272.348 3.284 10 30 CGEERN COC(=O)N1CCc2ccccc2[C@H]1c1ccccc1C#N ZINC000616678756 348865024 /nfs/dbraw/zinc/86/50/24/348865024.db2.gz GDRGTLRDUABWOJ-KRWDZBQOSA-N 0 0 292.338 3.272 10 30 CGEERN Cc1nn(CCCc2ccccc2)c(Cl)c1C#N ZINC000104433494 186000194 /nfs/dbraw/zinc/00/01/94/186000194.db2.gz STGGTZHRDOMLPZ-UHFFFAOYSA-N 0 0 259.740 3.349 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)c1ccc2c(c1)CCCCC2=O ZINC000329601169 283066156 /nfs/dbraw/zinc/06/61/56/283066156.db2.gz XLXAOFLLRAGMFD-GDBMZVCRSA-N 0 0 296.370 3.018 10 30 CGEERN COc1ccc(C#N)cc1CN1CCC[C@@H]1c1ccco1 ZINC000120209700 138367381 /nfs/dbraw/zinc/36/73/81/138367381.db2.gz HVIXZAOHXUITRH-OAHLLOKOSA-N 0 0 282.343 3.497 10 30 CGEERN N#Cc1csc(-c2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000211556099 283246541 /nfs/dbraw/zinc/24/65/41/283246541.db2.gz IOYFIMXAWWOZAG-UHFFFAOYSA-N 0 0 270.273 3.071 10 30 CGEERN C[C@H]1CCCC[C@H]1Nc1cnn(-c2ncccc2C#N)c1 ZINC000186015455 138438997 /nfs/dbraw/zinc/43/89/97/138438997.db2.gz JXARFVQAANSHBS-SWLSCSKDSA-N 0 0 281.363 3.130 10 30 CGEERN Cc1nc(C)c(CNc2cc(C)nc(C)c2C#N)s1 ZINC000301792528 201199082 /nfs/dbraw/zinc/19/90/82/201199082.db2.gz RHDSAOBKRKODCE-UHFFFAOYSA-N 0 0 272.377 3.256 10 30 CGEERN CO[C@H]1CCC[C@@H](Nc2c(F)cc(C#N)cc2F)C1 ZINC000301775253 201189679 /nfs/dbraw/zinc/18/96/79/201189679.db2.gz LAIKRYTXTWWCFZ-MNOVXSKESA-N 0 0 266.291 3.206 10 30 CGEERN N#Cc1ccc(CN2CCC[C@@H]2c2nc3c([nH]2)CCCC3)o1 ZINC000275523336 193066349 /nfs/dbraw/zinc/06/63/49/193066349.db2.gz LIHVWJFJGBXLPZ-MRXNPFEDSA-N 0 0 296.374 3.090 10 30 CGEERN O=[N+]([O-])c1ccccc1/C=C/C=N/N1CCCCC1 ZINC000003271130 368499877 /nfs/dbraw/zinc/49/98/77/368499877.db2.gz NPMNOWPIZKMJTQ-UYLQCNQNSA-N 0 0 259.309 3.080 10 30 CGEERN C#C[C@H]1C[C@]2(C)[C@@H](O)CC[C@H]2[C@@H]2CCc3cc(O)ccc3[C@@H]12 ZINC000013651927 368659922 /nfs/dbraw/zinc/65/99/22/368659922.db2.gz ZMIPQUUREPKYMQ-QCUBTISBSA-N 0 0 296.410 3.469 10 30 CGEERN O=C1C=Cc2ccccc2C1=NNc1ccccc1F ZINC000018101295 368738700 /nfs/dbraw/zinc/73/87/00/368738700.db2.gz JAOWVQLKJVIAAR-MNDPQUGUSA-N 0 0 266.275 3.238 10 30 CGEERN C=CCCO[C@H](C)C(=O)NC1CCC(CC)CC1 ZINC000125240282 370934473 /nfs/dbraw/zinc/93/44/73/370934473.db2.gz VLAZFMMVXCWIDX-IYXRBSQSSA-N 0 0 253.386 3.053 10 30 CGEERN S=C(NN=C1C[C@H]2C=CC[C@@H]12)NC1CCCCC1 ZINC000034882235 368979703 /nfs/dbraw/zinc/97/97/03/368979703.db2.gz QOUPGYDICQPUFM-KTIPYJLNSA-N 0 0 263.410 3.147 10 30 CGEERN Cc1ccc([C@H](C)NC(=O)C2(C#N)CCCCC2)o1 ZINC000044766561 369270450 /nfs/dbraw/zinc/27/04/50/369270450.db2.gz HQTYTUWBSREXKO-LBPRGKRZSA-N 0 0 260.337 3.239 10 30 CGEERN N#Cc1ccc(-c2ccc(Br)cc2)nc1 ZINC000049847455 369418270 /nfs/dbraw/zinc/41/82/70/369418270.db2.gz RCNNROHPLIXGEN-UHFFFAOYSA-N 0 0 259.106 3.383 10 30 CGEERN C=CCCC(=O)N1C[C@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000078188245 369951634 /nfs/dbraw/zinc/95/16/34/369951634.db2.gz WFVNDHRMBNIAIO-DZGCQCFKSA-N 0 0 273.376 3.366 10 30 CGEERN CCCCCCCCCCCC(=O)NC[C@H](C)O ZINC000100049056 370270162 /nfs/dbraw/zinc/27/01/62/370270162.db2.gz MMBILEWCGWTAOV-AWEZNQCLSA-N 0 0 257.418 3.404 10 30 CGEERN COc1cccc(/C=N/c2cc(OC)ccc2OC)c1 ZINC000100042298 370270579 /nfs/dbraw/zinc/27/05/79/370270579.db2.gz CIJANDIMSDIUBC-GZTJUZNOSA-N 0 0 271.316 3.463 10 30 CGEERN C=C(C)CN(CC)C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109081894 370360781 /nfs/dbraw/zinc/36/07/81/370360781.db2.gz XAHYNIONLQQPFX-STQMWFEESA-N 0 0 279.330 3.493 10 30 CGEERN N#Cc1ccc(CCC(=O)N2CCC[C@H]2c2ccco2)cc1 ZINC000116047814 370545466 /nfs/dbraw/zinc/54/54/66/370545466.db2.gz BNZAHRQFTQXNQT-INIZCTEOSA-N 0 0 294.354 3.448 10 30 CGEERN CCCCCCCCC(=O)NCCn1cc(C)cn1 ZINC000117812047 370599162 /nfs/dbraw/zinc/59/91/62/370599162.db2.gz YSPCSOWDJMEMFE-UHFFFAOYSA-N 0 0 265.401 3.058 10 30 CGEERN C[C@H]1C[C@@H]1Nc1ccc(Br)cc1C#N ZINC000163527616 372476723 /nfs/dbraw/zinc/47/67/23/372476723.db2.gz IGLQDYXCACKSJR-CPCISQLKSA-N 0 0 251.127 3.141 10 30 CGEERN C[C@@H]1C[C@@H]1Nc1cccc(Br)c1C#N ZINC000164992664 372540438 /nfs/dbraw/zinc/54/04/38/372540438.db2.gz WWESQLPSSLBUCO-HQJQHLMTSA-N 0 0 251.127 3.141 10 30 CGEERN C[C@H](Nc1nccnc1C#N)c1ccc(F)c(Cl)c1 ZINC000301155063 373676858 /nfs/dbraw/zinc/67/68/58/373676858.db2.gz FQLMJRXJDAGGHS-QMMMGPOBSA-N 0 0 276.702 3.314 10 30 CGEERN CC(C)COCCNc1c(Cl)cccc1C#N ZINC000301356492 373758159 /nfs/dbraw/zinc/75/81/59/373758159.db2.gz KOBFTCBWLOIESP-UHFFFAOYSA-N 0 0 252.745 3.296 10 30 CGEERN N#Cc1nc(Sc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000302748937 373950784 /nfs/dbraw/zinc/95/07/84/373950784.db2.gz UNKCVKFLJXMFFV-UHFFFAOYSA-N 0 0 275.264 3.152 10 30 CGEERN CCCOc1ccc(Oc2ccc([N+](=O)[O-])c(C#N)n2)cc1 ZINC000302702468 373933740 /nfs/dbraw/zinc/93/37/40/373933740.db2.gz FZYRHFPQGUAQOY-UHFFFAOYSA-N 0 0 299.286 3.443 10 30 CGEERN C#C[C@@](C)(CC)Nc1cncc(Br)c1 ZINC000306639192 374135501 /nfs/dbraw/zinc/13/55/01/374135501.db2.gz CYHCFDWKOCJMHP-NSHDSACASA-N 0 0 253.143 3.058 10 30 CGEERN C[C@H]1C[C@@H](C(=O)NC2(C#N)CCCC2)CC(C)(C)C1 ZINC000182625255 374300307 /nfs/dbraw/zinc/30/03/07/374300307.db2.gz XAIZZSNUWLVUMT-QWHCGFSZSA-N 0 0 262.397 3.401 10 30 CGEERN O=C(C[C@@H]1CCCCC(=O)N1)NCC[C@@H]1CCCCO1 ZINC000328680842 374375895 /nfs/dbraw/zinc/37/58/95/374375895.db2.gz USXDQIGIBXDEJD-STQMWFEESA-N 0 0 282.384 3.191 10 30 CGEERN Cc1ccc([C@H]2CCCCN2C(=O)c2ccnc(C#N)c2)o1 ZINC000193340320 375864076 /nfs/dbraw/zinc/86/40/76/375864076.db2.gz QTWJGDXQXGRVSL-OAHLLOKOSA-N 0 0 295.342 3.222 10 30 CGEERN N#Cc1c(F)cccc1NCC[C@@H]1C(=O)Nc2ccccc21 ZINC000195333318 376098677 /nfs/dbraw/zinc/09/86/77/376098677.db2.gz WHXYMHQBUUVYRR-LBPRGKRZSA-N 0 0 295.317 3.235 10 30 CGEERN CO[C@@H](c1noc(-c2ccc(C#N)cc2C)n1)C1CC1 ZINC000234773397 376620292 /nfs/dbraw/zinc/62/02/92/376620292.db2.gz JYCDPQGXMOQTLN-CYBMUJFWSA-N 0 0 269.304 3.014 10 30 CGEERN CCN(C[C@H](C)C#N)C(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000247481931 377211299 /nfs/dbraw/zinc/21/12/99/377211299.db2.gz SVJNRIXXPLSRFV-VHDGCEQUSA-N 0 0 262.397 3.211 10 30 CGEERN CCN(CC)c1ccc(C=Nc2ccc(C(N)=O)cc2)cc1 ZINC000254387158 377705779 /nfs/dbraw/zinc/70/57/79/377705779.db2.gz QDLYYYGGBDIQKK-UHFFFAOYSA-N 0 0 295.386 3.382 10 30 CGEERN C[C@H]1CC(=NN2C(=O)CSC2=S)CC(C)(C)C1 ZINC000254482726 377708005 /nfs/dbraw/zinc/70/80/05/377708005.db2.gz BIZNYOKAYBNFLJ-QMMMGPOBSA-N 0 0 270.423 3.049 10 30 CGEERN [O-]N=C1CCCc2nn(-c3ccc(Cl)c(Cl)c3)nc21 ZINC000254519780 377709164 /nfs/dbraw/zinc/70/91/64/377709164.db2.gz KCCQSGJMAUARKQ-UHFFFAOYSA-N 0 0 297.145 3.089 10 30 CGEERN CCOC(=O)c1c(C(F)F)ccc(C#N)c1CC ZINC000575389750 377897777 /nfs/dbraw/zinc/89/77/77/377897777.db2.gz OWMLVOTWKRETTM-UHFFFAOYSA-N 0 0 253.248 3.235 10 30 CGEERN CCOC(=O)Cc1ccc(C#N)c(C(F)F)c1CC ZINC000575389724 377897820 /nfs/dbraw/zinc/89/78/20/377897820.db2.gz MLWFZJYTSPJYFJ-UHFFFAOYSA-N 0 0 267.275 3.164 10 30 CGEERN O=C1Nc2c(O)cc(Cl)cc2[C@H](C#CC2CC2)O1 ZINC000575346663 377885428 /nfs/dbraw/zinc/88/54/28/377885428.db2.gz AHVCECYOEDDDSM-NSHDSACASA-N 0 0 263.680 3.062 10 30 CGEERN CCOC(=O)c1cc(CC)c(C#N)c(C(F)F)c1 ZINC000575389960 377899069 /nfs/dbraw/zinc/89/90/69/377899069.db2.gz WTXCDBVQOOCSOC-UHFFFAOYSA-N 0 0 253.248 3.235 10 30 CGEERN CCOC(=O)Cc1cc(C(F)F)c(CC)cc1C#N ZINC000575389948 377899136 /nfs/dbraw/zinc/89/91/36/377899136.db2.gz VRBCNLJNECKFLQ-UHFFFAOYSA-N 0 0 267.275 3.164 10 30 CGEERN CCOC(=O)c1c(OC(F)(F)F)ccc(Cl)c1C#N ZINC000575382811 377892950 /nfs/dbraw/zinc/89/29/50/377892950.db2.gz ABTCSTFKUIYIBL-UHFFFAOYSA-N 0 0 293.628 3.287 10 30 CGEERN COC(=O)c1cc(Cl)c(C(F)(F)F)cc1C#N ZINC000575383383 377893631 /nfs/dbraw/zinc/89/36/31/377893631.db2.gz RVQZOUIFOFJAAP-UHFFFAOYSA-N 0 0 263.602 3.017 10 30 CGEERN COC(=O)c1ccc(SC(F)(F)F)c(F)c1C#N ZINC000575390757 377899701 /nfs/dbraw/zinc/89/97/01/377899701.db2.gz YCCSJEMHXHSBJL-UHFFFAOYSA-N 0 0 279.214 3.096 10 30 CGEERN CCOC(=O)c1c(F)cc(SC(F)(F)F)cc1C#N ZINC000575390727 377899912 /nfs/dbraw/zinc/89/99/12/377899912.db2.gz VLONGGPNYJSRID-UHFFFAOYSA-N 0 0 293.241 3.486 10 30 CGEERN CC(C)(C)OC(=O)N[C@]1(C#N)CCCC(C)(C)C1 ZINC000575497668 377916096 /nfs/dbraw/zinc/91/60/96/377916096.db2.gz YLGFCSREVDIVMY-CQSZACIVSA-N 0 0 252.358 3.374 10 30 CGEERN O=C(/C=C/Cl)c1csc(I)c1 ZINC000575518182 377916523 /nfs/dbraw/zinc/91/65/23/377916523.db2.gz OMXFKPJSEDOBBX-OWOJBTEDSA-N 0 0 298.532 3.288 10 30 CGEERN N#CCc1cc(OC(F)F)c(C(F)F)c([N+](=O)[O-])c1 ZINC000575652545 377930377 /nfs/dbraw/zinc/93/03/77/377930377.db2.gz HUEPREHRDLUKSN-UHFFFAOYSA-N 0 0 278.161 3.200 10 30 CGEERN CCOc1cc(OC(F)F)c(CC#N)cc1CC ZINC000575654668 377931585 /nfs/dbraw/zinc/93/15/85/377931585.db2.gz CZHQOKFPCPGBEJ-UHFFFAOYSA-N 0 0 255.264 3.315 10 30 CGEERN Cc1cc(C#N)c(OC(F)(F)F)c(OC(F)F)c1 ZINC000575664299 377939441 /nfs/dbraw/zinc/93/94/41/377939441.db2.gz DKPHYHFXOKYGLU-UHFFFAOYSA-N 0 0 267.153 3.367 10 30 CGEERN Cc1ccc(OC(F)F)c(CC#N)c1Br ZINC000575682932 377957180 /nfs/dbraw/zinc/95/71/80/377957180.db2.gz GUBWVRKTONTUMK-UHFFFAOYSA-N 0 0 276.080 3.425 10 30 CGEERN N#CCc1cc(F)c(Br)cc1OC(F)F ZINC000575679694 377953743 /nfs/dbraw/zinc/95/37/43/377953743.db2.gz AKGZMQDKTUQLCF-UHFFFAOYSA-N 0 0 280.043 3.256 10 30 CGEERN CCOc1cc(Br)cc(CC#N)c1OCC ZINC000575679896 377953822 /nfs/dbraw/zinc/95/38/22/377953822.db2.gz ABQNBYXUXGWEDZ-UHFFFAOYSA-N 0 0 284.153 3.313 10 30 CGEERN COC(=O)c1c(C)cc(C#N)cc1SC(F)(F)F ZINC000575394740 377902453 /nfs/dbraw/zinc/90/24/53/377902453.db2.gz MXIAIVWJQTVLBR-UHFFFAOYSA-N 0 0 275.251 3.265 10 30 CGEERN Fc1ccc(OC(F)(F)F)c(OC(F)F)c1F ZINC000575396805 377903364 /nfs/dbraw/zinc/90/33/64/377903364.db2.gz XTTGVLLWPKLSHP-UHFFFAOYSA-N 0 0 264.096 3.465 10 30 CGEERN Nc1cc(F)c(C(F)(F)F)cc1OC(F)(F)F ZINC000575397307 377903698 /nfs/dbraw/zinc/90/36/98/377903698.db2.gz DJYCHNGUUVZFHF-UHFFFAOYSA-N 0 0 263.112 3.325 10 30 CGEERN Nc1c(OC(F)(F)F)cc(F)cc1C(F)(F)F ZINC000575397317 377903788 /nfs/dbraw/zinc/90/37/88/377903788.db2.gz FZCFNUNBCFMCJH-UHFFFAOYSA-N 0 0 263.112 3.325 10 30 CGEERN COc1cc(OC(F)F)cc(CC#N)c1Br ZINC000575683637 377958046 /nfs/dbraw/zinc/95/80/46/377958046.db2.gz PDPPVBJYWVYBKE-UHFFFAOYSA-N 0 0 292.079 3.125 10 30 CGEERN N#Cc1ccc(Br)c(C(F)(F)F)c1F ZINC000575688926 377964509 /nfs/dbraw/zinc/96/45/09/377964509.db2.gz YJJVHXMIQQFXRY-UHFFFAOYSA-N 0 0 268.007 3.479 10 30 CGEERN N#CCc1c(O)ccc(Br)c1OC(F)(F)F ZINC000575690790 377965706 /nfs/dbraw/zinc/96/57/06/377965706.db2.gz CMYIIRDPKGYDBM-UHFFFAOYSA-N 0 0 296.042 3.119 10 30 CGEERN N#CCc1c(O)c(OC(F)(F)F)ccc1Br ZINC000575691679 377966944 /nfs/dbraw/zinc/96/69/44/377966944.db2.gz PEMMRGBFHGSNGP-UHFFFAOYSA-N 0 0 296.042 3.119 10 30 CGEERN N#CCc1cc([N+](=O)[O-])c(C(F)(F)F)cc1Cl ZINC000575694022 377968473 /nfs/dbraw/zinc/96/84/73/377968473.db2.gz HGBUNEXDPZWEDO-UHFFFAOYSA-N 0 0 264.590 3.333 10 30 CGEERN CCc1cc(OC(F)(F)F)cc([N+](=O)[O-])c1CC#N ZINC000575706607 377978514 /nfs/dbraw/zinc/97/85/14/377978514.db2.gz SIAYLMSQPCYDPQ-UHFFFAOYSA-N 0 0 274.198 3.122 10 30 CGEERN CC(=O)c1ccc(C#N)cc1N1CCC2(CCOCC2)[C@H]1C ZINC000408199171 379997859 /nfs/dbraw/zinc/99/78/59/379997859.db2.gz QLGWFIUJHBINCF-CQSZACIVSA-N 0 0 298.386 3.156 10 30 CGEERN CC(C)[C@@H](C)NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000182351945 261935639 /nfs/dbraw/zinc/93/56/39/261935639.db2.gz VDDDACDWBDKJLO-GFCCVEGCSA-N 0 0 256.349 3.016 10 30 CGEERN Cc1ccc(C)c(SCC(=O)N[C@H]2CCC[C@@H]2C#N)c1 ZINC000359681758 381362976 /nfs/dbraw/zinc/36/29/76/381362976.db2.gz UXTLGKGXWGWRCJ-KGLIPLIRSA-N 0 0 288.416 3.204 10 30 CGEERN Cc1cc(NC(=O)N[C@@H]2CC2(C)C)nn1C1CCCCC1 ZINC000329537770 542446920 /nfs/dbraw/zinc/44/69/20/542446920.db2.gz VCPQRAKXIKGZSF-CYBMUJFWSA-N 0 0 290.411 3.243 10 30 CGEERN CC(=O)Nc1ccc(O)c(C(=O)N2CC[C@H]3CCC[C@H]32)c1 ZINC000330299946 542450205 /nfs/dbraw/zinc/45/02/05/542450205.db2.gz IGGXNIVINLOMPN-BXUZGUMPSA-N 0 0 288.347 3.015 10 30 CGEERN C=CCNc1ccccc1C(=O)N[C@H](C)Cc1ccncc1 ZINC000065383553 392145808 /nfs/dbraw/zinc/14/58/08/392145808.db2.gz QMCHRYABMYSPPC-CQSZACIVSA-N 0 0 295.386 3.041 10 30 CGEERN C#CCNC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000093886951 392241211 /nfs/dbraw/zinc/24/12/11/392241211.db2.gz VSOWKNUWGGMGSU-ZDUSSCGKSA-N 0 0 296.292 3.089 10 30 CGEERN C=CCNC(=O)c1ccc(N[C@@H]2CCC[C@@H](C3CC3)C2)nc1 ZINC000301408441 392590149 /nfs/dbraw/zinc/59/01/49/392590149.db2.gz INOVGSFJHQFPQM-GDBMZVCRSA-N 0 0 299.418 3.378 10 30 CGEERN C#CCOc1ccc(C(=O)N2CCC[C@H]2c2ccco2)cc1 ZINC000156204416 392546453 /nfs/dbraw/zinc/54/64/53/392546453.db2.gz QQRSARNJQDYRCM-INIZCTEOSA-N 0 0 295.338 3.269 10 30 CGEERN N#Cc1cccc(C(=O)N2CCC23CCCCC3)c1 ZINC000373016888 392657099 /nfs/dbraw/zinc/65/70/99/392657099.db2.gz YWDJHSOYPXZWMD-UHFFFAOYSA-N 0 0 254.333 3.107 10 30 CGEERN CC(C)Cc1ccc([C@H](C)NC(=O)NC[C@@H](C)C#N)cc1 ZINC000182333259 392744818 /nfs/dbraw/zinc/74/48/18/392744818.db2.gz DVFJFVGMTKZPMR-KBPBESRZSA-N 0 0 287.407 3.405 10 30 CGEERN C=CCN(CC=C)C(=O)CCCCCCCCC(=O)OC ZINC000004866397 170033461 /nfs/dbraw/zinc/03/34/61/170033461.db2.gz ADXFKELLGARPGU-UHFFFAOYSA-N 0 0 295.423 3.481 10 30 CGEERN N#Cc1ccc(NC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000006889011 170253434 /nfs/dbraw/zinc/25/34/34/170253434.db2.gz CIWDOHYVZQAULK-BFHYXJOUSA-N 0 0 254.333 3.323 10 30 CGEERN CCOc1cccc(/C=N/N(C)c2ccccc2)c1O ZINC000007351105 170279013 /nfs/dbraw/zinc/27/90/13/170279013.db2.gz SVNXLTXVVXCXTC-SFQUDFHCSA-N 0 0 270.332 3.261 10 30 CGEERN N/C(CCN(c1ccccc1)c1ccc(Cl)cn1)=N\O ZINC000019423178 170793724 /nfs/dbraw/zinc/79/37/24/170793724.db2.gz MJFIRZSTOVPBBR-UHFFFAOYSA-N 0 0 290.754 3.010 10 30 CGEERN CN[C@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC000020378219 171171934 /nfs/dbraw/zinc/17/19/34/171171934.db2.gz DZKWNVGHLOGURY-MRXNPFEDSA-N 0 0 252.317 3.050 10 30 CGEERN C=CCC(CC=C)COS(=O)(=O)c1ccc(C)cc1 ZINC000021983320 171344714 /nfs/dbraw/zinc/34/47/14/171344714.db2.gz VEBQWXGTGHXIAH-UHFFFAOYSA-N 0 0 280.389 3.469 10 30 CGEERN C[C@H](O)c1cccc(OCc2cccc(C#N)c2)c1 ZINC000035199454 172044511 /nfs/dbraw/zinc/04/45/11/172044511.db2.gz ZHYWMHHPNOCBSL-LBPRGKRZSA-N 0 0 253.301 3.191 10 30 CGEERN CN[C@H](c1ccc(F)cc1F)C(F)(F)C(F)(F)F ZINC000035491575 172225339 /nfs/dbraw/zinc/22/53/39/172225339.db2.gz DQRDSMMDZZRVLE-MRVPVSSYSA-N 0 0 275.167 3.423 10 30 CGEERN Cc1ccc(NC(=O)N2CCC(=NO)CC2)cc1Cl ZINC000035660943 172337845 /nfs/dbraw/zinc/33/78/45/172337845.db2.gz DTOMEWAINWWVGD-UHFFFAOYSA-N 0 0 281.743 3.106 10 30 CGEERN Cc1cc(C)c(C#N)c(Oc2cc(N)ccc2C)n1 ZINC000035678306 172349280 /nfs/dbraw/zinc/34/92/80/172349280.db2.gz MODNWNQBVJSXJI-UHFFFAOYSA-N 0 0 253.305 3.253 10 30 CGEERN CC(C)C(=O)[C@@H](C#N)c1cccc(Br)c1 ZINC000036765771 172684785 /nfs/dbraw/zinc/68/47/85/172684785.db2.gz ZGVFRBOGWMZZKY-NSHDSACASA-N 0 0 266.138 3.281 10 30 CGEERN Cc1nc(N)sc1SCCOc1ccc(C#N)cc1 ZINC000037037024 172904307 /nfs/dbraw/zinc/90/43/07/172904307.db2.gz RAUJYPBWNQJCGF-UHFFFAOYSA-N 0 0 291.401 3.077 10 30 CGEERN Cc1ccc(C(C)C)cc1OCCC(=O)N(C)CCC#N ZINC000038053016 174064472 /nfs/dbraw/zinc/06/44/72/174064472.db2.gz QVMAJRSXRFEKGZ-UHFFFAOYSA-N 0 0 288.391 3.259 10 30 CGEERN CC[C@H](C)N[C@H](C#N)c1ccccc1OC(F)F ZINC000038064393 174075368 /nfs/dbraw/zinc/07/53/68/174075368.db2.gz RAJNGKCSOOSAJJ-GXSJLCMTSA-N 0 0 254.280 3.241 10 30 CGEERN Cc1cc(C)c(C#N)c(Sc2ccc(O)cc2)n1 ZINC000038079168 174089246 /nfs/dbraw/zinc/08/92/46/174089246.db2.gz FKNMGHMMNQZZSM-UHFFFAOYSA-N 0 0 256.330 3.427 10 30 CGEERN C=CCNC1=C(c2ccccc2)C(=O)c2ccccc2C1=O ZINC000039892106 174174057 /nfs/dbraw/zinc/17/40/57/174174057.db2.gz YUCPWCCZHBLZBL-UHFFFAOYSA-N 0 0 289.334 3.253 10 30 CGEERN Cc1ccc(C(=O)NC2(C#N)CCCCCCC2)o1 ZINC000040221963 174207016 /nfs/dbraw/zinc/20/70/16/174207016.db2.gz HQCKJBFBHLLVBX-UHFFFAOYSA-N 0 0 260.337 3.325 10 30 CGEERN C=CCN(CC=C)C(=O)Cn1c2ccccc2nc1C(C)C ZINC000040231375 174209739 /nfs/dbraw/zinc/20/97/39/174209739.db2.gz YHWWETAIZAKUIR-UHFFFAOYSA-N 0 0 297.402 3.360 10 30 CGEERN CC[C@@H](C#N)N(C)Cc1ccccc1Br ZINC000043556487 175064767 /nfs/dbraw/zinc/06/47/67/175064767.db2.gz SDNFSSMHZDQUOT-NSHDSACASA-N 0 0 267.170 3.183 10 30 CGEERN CCC[C@@H](C#N)C(=O)Nc1cccc(Br)c1 ZINC000044810946 175257829 /nfs/dbraw/zinc/25/78/29/175257829.db2.gz FIRWYSHRQVCYDU-VIFPVBQESA-N 0 0 281.153 3.327 10 30 CGEERN COc1ccc(NC2=NC[C@@H](C3CC3)S2)cc1Cl ZINC000071306721 176115926 /nfs/dbraw/zinc/11/59/26/176115926.db2.gz ZUOLYAJSZLPQQY-LBPRGKRZSA-N 0 0 282.796 3.451 10 30 CGEERN O=C(C[C@@H]1C[C@H]1c1ccccc1)N[C@H]1CCc2c[nH]nc2C1 ZINC000329165103 227335158 /nfs/dbraw/zinc/33/51/58/227335158.db2.gz HIVVNXDKFXVGNC-JYJNAYRXSA-N 0 0 295.386 3.417 10 30 CGEERN Cn1cc(NC(=O)N2C[C@@H]3CCC[C@H]32)c(-c2ccccc2)n1 ZINC000329549712 227593503 /nfs/dbraw/zinc/59/35/03/227593503.db2.gz PBUJDLRORGGKJN-DZGCQCFKSA-N 0 0 296.374 3.117 10 30 CGEERN CCn1nc(C)c(NC(=O)C[C@@H]2CCCCC(=O)N2)c1C ZINC000329816156 227958411 /nfs/dbraw/zinc/95/84/11/227958411.db2.gz DUMBHHQWBOAIFD-LBPRGKRZSA-N 0 0 292.383 3.397 10 30 CGEERN O=C(NC1CCC2(CCOCC2)CC1)c1cncc(F)c1 ZINC000329907629 227981969 /nfs/dbraw/zinc/98/19/69/227981969.db2.gz TXCJGHKSOWHSJE-UHFFFAOYSA-N 0 0 292.354 3.265 10 30 CGEERN CCn1ncc2ccc(NC(=O)N3C[C@H]4CCC[C@H]43)cc21 ZINC000329927034 227988405 /nfs/dbraw/zinc/98/84/05/227988405.db2.gz LEXIYCMFGJZPRT-TZMCWYRMSA-N 0 0 284.363 3.086 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CC(=O)c2ccccc21 ZINC000330024933 228019555 /nfs/dbraw/zinc/01/95/55/228019555.db2.gz KDGYTXYRKSCKQF-BPNCWPANSA-N 0 0 268.316 3.005 10 30 CGEERN O=C(Nc1ccccc1-n1cccn1)N1CC[C@H]2CCC[C@@H]21 ZINC000330266323 228085685 /nfs/dbraw/zinc/08/56/85/228085685.db2.gz HNOWNNZWAOSNHD-HIFRSBDPSA-N 0 0 296.374 3.292 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(C2CCC2)cn1 ZINC000333670067 228209732 /nfs/dbraw/zinc/20/97/32/228209732.db2.gz NQDFDKVIQGFSLB-OCCSQVGLSA-N 0 0 284.363 3.163 10 30 CGEERN Cc1ccncc1-c1noc([C@@]2(C#N)CC23CCCC3)n1 ZINC000333583863 228205633 /nfs/dbraw/zinc/20/56/33/228205633.db2.gz BCQNRZPRTKXHJV-INIZCTEOSA-N 0 0 280.331 3.166 10 30 CGEERN Cc1ccncc1-c1noc([C@]2(C#N)CC23CCCC3)n1 ZINC000333583869 228205709 /nfs/dbraw/zinc/20/57/09/228205709.db2.gz BCQNRZPRTKXHJV-MRXNPFEDSA-N 0 0 280.331 3.166 10 30 CGEERN Cc1cc2[nH]c(C(=O)N[C@H]3CCC[C@@H]3C#N)cc2c(C)c1 ZINC000408332666 260800808 /nfs/dbraw/zinc/80/08/08/260800808.db2.gz YGQUITYHAZYLAI-OCCSQVGLSA-N 0 0 281.359 3.207 10 30 CGEERN N#C[C@H]1CCC[C@H]1NCc1cscc1Br ZINC000308799761 261658720 /nfs/dbraw/zinc/65/87/20/261658720.db2.gz AAGZWYHWOIQGDA-LDYMZIIASA-N 0 0 285.210 3.292 10 30 CGEERN CCCOc1cccc(CN[C@@H]2CCC[C@@H]2C#N)c1 ZINC000061892698 262406320 /nfs/dbraw/zinc/40/63/20/262406320.db2.gz AHUHGZBNIHFVDV-GDBMZVCRSA-N 0 0 258.365 3.257 10 30 CGEERN N#C[C@@H](NC(=O)C[C@@H]1C[C@H]1c1ccccc1)C1CC1 ZINC000328901241 263883771 /nfs/dbraw/zinc/88/37/71/263883771.db2.gz YVPPRIKOKJDQJI-SOUVJXGZSA-N 0 0 254.333 3.439 10 30 CGEERN N#Cc1ccc(NCc2nnc(C3CC3)n2C2CC2)c(F)c1 ZINC000125876125 264071271 /nfs/dbraw/zinc/07/12/71/264071271.db2.gz ANXHORPHWYTLJD-UHFFFAOYSA-N 0 0 297.337 3.113 10 30 CGEERN C=CCCCN(C)C(=O)N[C@@H](C)c1ccc(C)o1 ZINC000076950335 264350488 /nfs/dbraw/zinc/35/04/88/264350488.db2.gz WMWJWFNZNFOOAJ-LBPRGKRZSA-N 0 0 250.342 3.257 10 30 CGEERN C#CCCCCC(=O)N1CCC[C@H]1c1noc(C(C)C)n1 ZINC000180291597 264396661 /nfs/dbraw/zinc/39/66/61/264396661.db2.gz ABMFWRNNVGBBGP-ZDUSSCGKSA-N 0 0 289.379 3.050 10 30 CGEERN C=C[C@](C)(CC)C(=O)N[C@H](C)c1ccc(OC)c(OC)c1 ZINC000134929247 264535030 /nfs/dbraw/zinc/53/50/30/264535030.db2.gz CVOHBKTWEVPZGQ-SJKOYZFVSA-N 0 0 291.391 3.483 10 30 CGEERN N#C[C@H]1CCC[C@H]1NCc1ccc(Cl)c(F)c1 ZINC000061892849 264560756 /nfs/dbraw/zinc/56/07/56/264560756.db2.gz RYHVCWOCPSXZCM-ZWNOBZJWSA-N 0 0 252.720 3.261 10 30 CGEERN CCC[C@@H]1C[C@@H]1Nc1c(C#N)nnc2ccccc21 ZINC000231661908 266072261 /nfs/dbraw/zinc/07/22/61/266072261.db2.gz WAVCMIIDNFUALA-MFKMUULPSA-N 0 0 252.321 3.102 10 30 CGEERN CC(C)(C)n1cc(C#N)c2cc(Br)cnc21 ZINC000072322491 275853656 /nfs/dbraw/zinc/85/36/56/275853656.db2.gz TXNHEKSROUEGDM-UHFFFAOYSA-N 0 0 278.153 3.425 10 30 CGEERN Cc1cc(N2C[C@@H]3CCCC[C@@H]3C2)c(C#N)c(C)n1 ZINC000301793105 280584921 /nfs/dbraw/zinc/58/49/21/280584921.db2.gz RSNDVTWCBQYCKC-OKILXGFUSA-N 0 0 255.365 3.197 10 30 CGEERN Cc1cc2c(n1C)CCC[C@@H]2Nc1ccc(C#N)cn1 ZINC000301131112 280683657 /nfs/dbraw/zinc/68/36/57/280683657.db2.gz ROKSXHCHCVDCIA-AWEZNQCLSA-N 0 0 266.348 3.090 10 30 CGEERN Cc1nc(N2CCO[C@@H]3CCCC[C@@H]32)c(Cl)cc1C#N ZINC000292816837 293299447 /nfs/dbraw/zinc/29/94/47/293299447.db2.gz ZLDQIVMLGDPXOH-UONOGXRCSA-N 0 0 291.782 3.063 10 30 CGEERN N#Cc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000049873131 294941766 /nfs/dbraw/zinc/94/17/66/294941766.db2.gz GPIDXPXKUVIXEW-UHFFFAOYSA-N 0 0 277.732 3.044 10 30 CGEERN N#Cc1cccc(I)c1C(F)(F)F ZINC000205425099 294962413 /nfs/dbraw/zinc/96/24/13/294962413.db2.gz FRJIXLCEWGAOLC-UHFFFAOYSA-N 0 0 297.017 3.182 10 30 CGEERN O=C1/C(=C/c2ccc(Br)cc2)N2CCC1CC2 ZINC000034747050 304619149 /nfs/dbraw/zinc/61/91/49/304619149.db2.gz ZDULBWQBNDMHBA-LCYFTJDESA-N 0 0 292.176 3.085 10 30 CGEERN N#CC1(C(=O)N[C@@H]2CCC23CCCC3)CCCCC1 ZINC000335733416 303141179 /nfs/dbraw/zinc/14/11/79/303141179.db2.gz MKFDXSZNTCKDQP-CYBMUJFWSA-N 0 0 260.381 3.299 10 30 CGEERN COc1cc(/C=N/O)cc(Cl)c1OCc1cccnc1 ZINC000253564550 328115776 /nfs/dbraw/zinc/11/57/76/328115776.db2.gz GQJRKIPSKYHNCL-CAOOACKPSA-N 0 0 292.722 3.131 10 30 CGEERN O/N=C/c1ccc2oc(-c3cccc(F)c3)nc2c1 ZINC000253576548 328115902 /nfs/dbraw/zinc/11/59/02/328115902.db2.gz VZBUBPRWBSCLOP-LZYBPNLTSA-N 0 0 256.236 3.442 10 30 CGEERN CCCCCCCCC(=O)N1CCCC[C@H](CO)C1 ZINC000378211157 329043045 /nfs/dbraw/zinc/04/30/45/329043045.db2.gz PMEUSDZOBLSZRG-HNNXBMFYSA-N 0 0 269.429 3.358 10 30 CGEERN CCCCCCCC(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000178354645 329199107 /nfs/dbraw/zinc/19/91/07/329199107.db2.gz DMNGCPUVSQHQHO-RDJZCZTQSA-N 0 0 275.392 3.121 10 30 CGEERN C=CCN(CC=C)C(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000179503575 329209367 /nfs/dbraw/zinc/20/93/67/329209367.db2.gz DGIDMRXJLIAZBB-UHFFFAOYSA-N 0 0 282.347 3.283 10 30 CGEERN C#CCCCCC(=O)N1CCC(Cc2ccccn2)CC1 ZINC000180081700 329215092 /nfs/dbraw/zinc/21/50/92/329215092.db2.gz QISUWWKDTYDBGB-UHFFFAOYSA-N 0 0 284.403 3.056 10 30 CGEERN C[C@@H](C#N)N1CCc2cc(-c3ccccc3)oc2C1 ZINC000182195914 329240468 /nfs/dbraw/zinc/24/04/68/329240468.db2.gz CBVYGZGLMJELBX-LBPRGKRZSA-N 0 0 252.317 3.217 10 30 CGEERN C#CCC(C)(C)C(=O)N1CCC(c2nc(C)cs2)CC1 ZINC000186146793 329338655 /nfs/dbraw/zinc/33/86/55/329338655.db2.gz LOOIOCMVPVUEIZ-UHFFFAOYSA-N 0 0 290.432 3.207 10 30 CGEERN CC(C)(C)[C@H]1OCC[C@@H]1c1noc(C2(C#N)CCCC2)n1 ZINC000190359941 329395505 /nfs/dbraw/zinc/39/55/05/329395505.db2.gz SBOWGOVUGKVPAW-RYUDHWBXSA-N 0 0 289.379 3.324 10 30 CGEERN C=CCNC(=O)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000043440219 329582160 /nfs/dbraw/zinc/58/21/60/329582160.db2.gz JRZJGUHUDYKDIK-UHFFFAOYSA-N 0 0 284.363 3.070 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NCc1ccc(Br)cc1F ZINC000061891813 329681781 /nfs/dbraw/zinc/68/17/81/329681781.db2.gz VUHMKWGHZDQWGK-ZANVPECISA-N 0 0 297.171 3.370 10 30 CGEERN CC#CCNC(=O)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000121470493 330401855 /nfs/dbraw/zinc/40/18/55/330401855.db2.gz OZPJUJFWMRZPHL-JKSUJKDBSA-N 0 0 255.361 3.053 10 30 CGEERN C=CCOc1ccc(C(=O)N[C@H]2COc3ccccc32)cc1 ZINC000194878644 333278472 /nfs/dbraw/zinc/27/84/72/333278472.db2.gz DGSNFJWMBWTPFR-INIZCTEOSA-N 0 0 295.338 3.115 10 30 CGEERN CC(C)[C@@H](C)CC(=O)N[C@]1(C#N)CCC[C@@H](C)C1 ZINC000247537588 334284711 /nfs/dbraw/zinc/28/47/11/334284711.db2.gz QFDINBKLMAGPPQ-VNHYZAJKSA-N 0 0 250.386 3.257 10 30 CGEERN C[C@H]1C[C@@H](C(=O)NC2(C#N)CCSCC2)CC(C)(C)C1 ZINC000181261003 335756356 /nfs/dbraw/zinc/75/63/56/335756356.db2.gz PPLRPUABZYKKFM-QWHCGFSZSA-N 0 0 294.464 3.354 10 30 CGEERN CC(C)CCCOc1ccc(Cl)cc1/C(N)=N/O ZINC000052860828 519642783 /nfs/dbraw/zinc/64/27/83/519642783.db2.gz HLWAGTFVCIDWNH-UHFFFAOYSA-N 0 0 270.760 3.250 10 30 CGEERN CC(C)CSCc1ccc(F)c(C#CCO)c1 ZINC000049623142 519769725 /nfs/dbraw/zinc/76/97/25/519769725.db2.gz FDRQPUAOYUSMCM-UHFFFAOYSA-N 0 0 252.354 3.059 10 30 CGEERN C=C(C)C[C@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000184917373 518636158 /nfs/dbraw/zinc/63/61/58/518636158.db2.gz CLQUJWULDCMZAC-STQMWFEESA-N 0 0 289.375 3.237 10 30 CGEERN C=C1[C@H](OC(C)=O)CC[C@]2(C)CC[C@H](C(C)(C)O)C[C@@H]12 ZINC000252677799 518669287 /nfs/dbraw/zinc/66/92/87/518669287.db2.gz ZWIVVTOKXTZAOT-MPTYRVRUSA-N 0 0 280.408 3.462 10 30 CGEERN CC(C)N(CCC#N)c1nc(Cl)nc2ccccc21 ZINC000052811780 519641521 /nfs/dbraw/zinc/64/15/21/519641521.db2.gz FSDFFZISMGQXCD-UHFFFAOYSA-N 0 0 274.755 3.412 10 30 CGEERN CCN[C@@H](C#N)CCOc1ccccc1[C@@H](C)CC ZINC000062447145 520058535 /nfs/dbraw/zinc/05/85/35/520058535.db2.gz OWVHDKRIKMTYHP-UONOGXRCSA-N 0 0 260.381 3.471 10 30 CGEERN CCN[C@@H](C#N)CCOc1ccc(C(C)C)c(C)c1 ZINC000062446041 520058586 /nfs/dbraw/zinc/05/85/86/520058586.db2.gz YWRGSGROEMYUOG-CQSZACIVSA-N 0 0 260.381 3.389 10 30 CGEERN CC[C@H]1CCCCN1c1cc(Cl)ccc1/C(N)=N/O ZINC000062789336 523032328 /nfs/dbraw/zinc/03/23/28/523032328.db2.gz MICJXTZEQMQGHF-NSHDSACASA-N 0 0 281.787 3.203 10 30 CGEERN Cc1ccccc1COc1ccc(C#N)cc1[N+](=O)[O-] ZINC000049373722 525173160 /nfs/dbraw/zinc/17/31/60/525173160.db2.gz BASNMYBMAFVBGL-UHFFFAOYSA-N 0 0 268.272 3.354 10 30 CGEERN Cc1ccc([C@H](C#N)C(=O)[C@@H]2CCCCO2)cc1C ZINC000061682052 525871707 /nfs/dbraw/zinc/87/17/07/525871707.db2.gz DDEGZYUTCPQFEP-GJZGRUSLSA-N 0 0 257.333 3.049 10 30 CGEERN Cc1nc(C)c([C@H](C)N[C@H]2CCCC[C@@H]2C#N)s1 ZINC000054826148 526755359 /nfs/dbraw/zinc/75/53/59/526755359.db2.gz GQMWIEYHANBATC-UHTWSYAYSA-N 0 0 263.410 3.493 10 30 CGEERN Cc1occc1CN(C)c1cc(C)nc(C)c1C#N ZINC000157403430 526827896 /nfs/dbraw/zinc/82/78/96/526827896.db2.gz HLVHSZUTKSEMFK-UHFFFAOYSA-N 0 0 255.321 3.108 10 30 CGEERN C=C[C@H]1CN2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1CC=O ZINC000013459061 560216842 /nfs/dbraw/zinc/21/68/42/560216842.db2.gz SERYQFDKEYVUFP-DEYYWGMASA-N 0 0 294.398 3.478 10 30 in-vitro CGEERN C#CCCCCCC(=O)CNC(=O)OCc1ccccc1 ZINC000685959048 570406625 /nfs/dbraw/zinc/40/66/25/570406625.db2.gz IUHHCYPIXSEMOT-UHFFFAOYSA-N 0 0 287.359 3.066 10 30 CGEERN Cc1ccccc1[C@H](C)NC=C1C(=O)CC(C)(C)CC1=O ZINC000121025151 617930669 /nfs/dbraw/zinc/93/06/69/617930669.db2.gz PNZZMNNPUXMVQM-ZDUSSCGKSA-N 0 0 285.387 3.488 10 30 CGEERN Oc1ccc2ccccc2c1/C=N\[C@@H]1CCCn2ncnc21 ZINC000255479905 618581761 /nfs/dbraw/zinc/58/17/61/618581761.db2.gz WRYKURWKQAPLOJ-YQYFLZKSSA-N 0 0 292.342 3.091 10 30 CGEERN Cc1cc(Nc2ccc3c(c2)CCCN3)cc(C#N)n1 ZINC000308246709 618932949 /nfs/dbraw/zinc/93/29/49/618932949.db2.gz YJDVAQDLODNRBM-UHFFFAOYSA-N 0 0 264.332 3.363 10 30 CGEERN C#CCN(C(=O)N[C@H](C)c1ccc(C)o1)C1CCCC1 ZINC000162568870 619105211 /nfs/dbraw/zinc/10/52/11/619105211.db2.gz BJFKKBUXFBSNBP-CYBMUJFWSA-N 0 0 274.364 3.236 10 30 CGEERN COc1cccc2cc(CN[C@H]3CCC[C@@H]3C#N)oc21 ZINC000061892183 623185850 /nfs/dbraw/zinc/18/58/50/623185850.db2.gz NRCJSAGFDOWKSK-OCCSQVGLSA-N 0 0 270.332 3.223 10 30 CGEERN CCCCCCCCC(=O)N[C@@H]1CCCC[C@H]1CO ZINC000230178271 623219224 /nfs/dbraw/zinc/21/92/24/623219224.db2.gz RCZQKZNCIZGPOX-LSDHHAIUSA-N 0 0 269.429 3.404 10 30 CGEERN COC1CC(Nc2ccc(C(F)(F)F)cc2C#N)C1 ZINC000230593536 623252766 /nfs/dbraw/zinc/25/27/66/623252766.db2.gz MRAIAPKEOSVMKW-UHFFFAOYSA-N 0 0 270.254 3.166 10 30 CGEERN FC(F)Oc1ccc(Br)cc1CS ZINC000757160666 630587098 /nfs/dbraw/zinc/58/70/98/630587098.db2.gz PXWWQIPMJCQZFL-UHFFFAOYSA-N 0 0 269.110 3.480 10 30 CGEERN N#C[C@H](C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1)c1ccccn1 ZINC000246057308 640654814 /nfs/dbraw/zinc/65/48/14/640654814.db2.gz XSVKHXXRIAVAPL-AVGNSLFASA-N 0 0 298.292 3.340 10 30 CGEERN C#CC[C@H](OC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000247036451 640707323 /nfs/dbraw/zinc/70/73/23/640707323.db2.gz NFXXNNLHNROLPC-ZENOOKHLSA-N 0 0 290.309 3.413 10 30 CGEERN CC12C[C@H]3C[C@@H](C1)CC(C(=O)N[C@H]1CCC[C@@H]1C#N)(C3)C2 ZINC000252797067 640863754 /nfs/dbraw/zinc/86/37/54/640863754.db2.gz IPPLOHYTERIMCV-YGAHKIJPSA-N 0 0 286.419 3.401 10 30 CGEERN C/C(=C/c1ccc(F)cc1)C(=O)OCC(C)(C)C#N ZINC000588419038 799692418 /nfs/dbraw/zinc/69/24/18/799692418.db2.gz MLGLHOMZLSDIMP-FLIBITNWSA-N 0 0 261.296 3.322 10 30 CGEERN CC#CCCCCOC(=O)/C=C\c1ncccc1C ZINC000588478190 799699745 /nfs/dbraw/zinc/69/97/45/799699745.db2.gz BOFNSTXKFNCMLJ-KHPPLWFESA-N 0 0 257.333 3.140 10 30 CGEERN C=C[C@H](C)OC(=O)/C=C\c1ccnc2ccccc12 ZINC000588539610 799707867 /nfs/dbraw/zinc/70/78/67/799707867.db2.gz IYDRFLYEPDLWIG-LAUAKBEESA-N 0 0 253.301 3.366 10 30 CGEERN C=C[C@](C)(CCOC)COC(=O)/C=C(/C)C1CC1 ZINC000588551980 799710373 /nfs/dbraw/zinc/71/03/73/799710373.db2.gz DDFVULHHMGDSFU-KUGGDMIFSA-N 0 0 252.354 3.115 10 30 CGEERN COC1(OC)C=CC(/C=C/C(=O)c2ccccc2)=CC1 ZINC000095932601 185032965 /nfs/dbraw/zinc/03/29/65/185032965.db2.gz BGNLPNLDAOSZTQ-CMDGGOBGSA-N 0 0 270.328 3.301 10 30 CGEERN Cc1cc(NCCCOc2ccccc2)c(C#N)c(C)n1 ZINC000126261872 187228153 /nfs/dbraw/zinc/22/81/53/187228153.db2.gz RDXMYWZNHHFULO-UHFFFAOYSA-N 0 0 281.359 3.451 10 30 CGEERN N#Cc1cc(=O)c2ccc(OCc3ccccc3)cc2o1 ZINC000003608812 344858780 /nfs/dbraw/zinc/85/87/80/344858780.db2.gz KXWDRZJUSGYAEZ-UHFFFAOYSA-N 0 0 277.279 3.244 10 30 CGEERN N#Cc1ccc(CCC(=O)c2cccc(C#N)c2)cc1 ZINC000038955364 344956865 /nfs/dbraw/zinc/95/68/65/344956865.db2.gz ACNVRDDTZONQQI-UHFFFAOYSA-N 0 0 260.296 3.245 10 30 CGEERN CC(C)[C@@H](C#N)Nc1cccc(Br)c1 ZINC000041049468 344966728 /nfs/dbraw/zinc/96/67/28/344966728.db2.gz RWEWVHIBSUASHP-LLVKDONJSA-N 0 0 253.143 3.409 10 30 CGEERN CC[C@H](C#N)C(=O)c1ccccc1Br ZINC000036916001 344945832 /nfs/dbraw/zinc/94/58/32/344945832.db2.gz ICHWNXUAJPXMIT-MRVPVSSYSA-N 0 0 252.111 3.182 10 30 CGEERN CC[C@@H](C#N)Nc1ccc(I)cc1 ZINC000043539594 345000260 /nfs/dbraw/zinc/00/02/60/345000260.db2.gz IOFYLKCWAPIFCW-VIFPVBQESA-N 0 0 286.116 3.005 10 30 CGEERN N#C[C@H]1CCO[C@@H]1c1ccccc1Br ZINC000070672586 345392530 /nfs/dbraw/zinc/39/25/30/345392530.db2.gz WOQBIDBTVQUBQL-KCJUWKMLSA-N 0 0 252.111 3.050 10 30 CGEERN C[C@H]1CCN(C(=O)Nc2ccc(C#N)cc2)C[C@H](C)C1 ZINC000154366909 232217815 /nfs/dbraw/zinc/21/78/15/232217815.db2.gz KVWHEZYDVNKSFP-QWHCGFSZSA-N 0 0 271.364 3.458 10 30 CGEERN COc1ccc(Br)c(CC[C@H](C)C=O)c1 ZINC000083710010 345727219 /nfs/dbraw/zinc/72/72/19/345727219.db2.gz BQKZNXGVZFLVTJ-VIFPVBQESA-N 0 0 271.154 3.225 10 30 CGEERN CCOC(=O)CC[C@@H](C)Nc1c(Cl)cccc1C#N ZINC000089656955 345772769 /nfs/dbraw/zinc/77/27/69/345772769.db2.gz ADDUGQDCQNDUKB-SNVBAGLBSA-N 0 0 280.755 3.355 10 30 CGEERN N#Cc1cc(NCCn2ccnc2)nc2ccc(Cl)cc12 ZINC000092582898 345845917 /nfs/dbraw/zinc/84/59/17/345845917.db2.gz IIAPYZCZUIELJF-UHFFFAOYSA-N 0 0 297.749 3.068 10 30 CGEERN Cc1cc(C)c(C#N)c(N[C@H]2CCc3cc(N)ccc32)n1 ZINC000094093118 345895672 /nfs/dbraw/zinc/89/56/72/345895672.db2.gz XORPOEZFQGRMAY-INIZCTEOSA-N 0 0 278.359 3.252 10 30 CGEERN C=CC1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000110359913 345944535 /nfs/dbraw/zinc/94/45/35/345944535.db2.gz LCOWTNAHHCFKTD-UONOGXRCSA-N 0 0 291.341 3.493 10 30 CGEERN N#Cc1ccc(-c2coc(-c3ccc(F)cc3)n2)cn1 ZINC000115005914 345968046 /nfs/dbraw/zinc/96/80/46/345968046.db2.gz GQUHKAPDEUHVOG-UHFFFAOYSA-N 0 0 265.247 3.414 10 30 CGEERN COc1ccc2c(c1)[C@](Br)(C#N)CCC2 ZINC000127642445 346032921 /nfs/dbraw/zinc/03/29/21/346032921.db2.gz YRRNBVPUSKMDOQ-GFCCVEGCSA-N 0 0 266.138 3.145 10 30 CGEERN CC(C)OC(=O)CN=C(c1ccccc1)c1ccccc1 ZINC000139803026 346101743 /nfs/dbraw/zinc/10/17/43/346101743.db2.gz MMZPWSVAEFSRPX-UHFFFAOYSA-N 0 0 281.355 3.476 10 30 CGEERN O=[N+]([O-])c1ccc2c(c1)[C@@H]1O[C@@H]1C1(CCCCC1)O2 ZINC000140914907 346107110 /nfs/dbraw/zinc/10/71/10/346107110.db2.gz MCKXJUFFKKLREJ-STQMWFEESA-N 0 0 261.277 3.130 10 30 CGEERN COc1ccc(-c2ccc(C#N)cc2F)cc1C=O ZINC000146963201 346124737 /nfs/dbraw/zinc/12/47/37/346124737.db2.gz GQZUUZZGCLAQLH-UHFFFAOYSA-N 0 0 255.248 3.185 10 30 CGEERN C[C@@H](C#N)Sc1ccc(N)cc1Br ZINC000148244239 346127568 /nfs/dbraw/zinc/12/75/68/346127568.db2.gz JKOYIUUMLUWHKU-LURJTMIESA-N 0 0 257.156 3.035 10 30 CGEERN N#C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc2cccnc21 ZINC000159418650 346167896 /nfs/dbraw/zinc/16/78/96/346167896.db2.gz XYYZNVPCVGCVJT-GOEBONIOSA-N 0 0 265.360 3.407 10 30 CGEERN C[C@H]1CCN(C(=O)c2sccc2C#N)C[C@@H](C)C1 ZINC000162984212 346180190 /nfs/dbraw/zinc/18/01/90/346180190.db2.gz FCFQRDGTZPLICA-QWRGUYRKSA-N 0 0 262.378 3.128 10 30 CGEERN C=CCOc1ccc(O[C@@H]2CCCCO2)cc1C(C)=O ZINC000167683939 346188977 /nfs/dbraw/zinc/18/89/77/346188977.db2.gz XRQWOPOLEZNPIN-MRXNPFEDSA-N 0 0 276.332 3.359 10 30 CGEERN C#CCCC(=O)c1cc(C)cc(Br)c1 ZINC000168273040 346190447 /nfs/dbraw/zinc/19/04/47/346190447.db2.gz JCLRIPRBKJPPCF-UHFFFAOYSA-N 0 0 251.123 3.354 10 30 CGEERN O=C1CC[C@@H](c2ccccc2)C=C1I ZINC000207054559 346284158 /nfs/dbraw/zinc/28/41/58/346284158.db2.gz ILFMSURTLRPSGM-SNVBAGLBSA-N 0 0 298.123 3.452 10 30 CGEERN O=[N+]([O-])c1cccc([C@@H]2O[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000196418095 346275934 /nfs/dbraw/zinc/27/59/34/346275934.db2.gz MDLVQLDRLZUEEF-KBPBESRZSA-N 0 0 286.243 3.316 10 30 CGEERN C[C@@]1(c2ccc(-c3ccccc3)cc2)O[C@@H](O)C=CC1=O ZINC000216233331 346289927 /nfs/dbraw/zinc/28/99/27/346289927.db2.gz LBGYECMFKCUJMY-MSOLQXFVSA-N 0 0 280.323 3.043 10 30 CGEERN CC#CC[C@H](O)c1cccc(Br)c1F ZINC000232568927 346327328 /nfs/dbraw/zinc/32/73/28/346327328.db2.gz AQPYHTBVHMFSPC-JTQLQIEISA-N 0 0 257.102 3.035 10 30 CGEERN C#CCC(=O)c1ccc(Cl)cc1Br ZINC000236042400 346338844 /nfs/dbraw/zinc/33/88/44/346338844.db2.gz XNTKQTPILXMVSX-UHFFFAOYSA-N 0 0 257.514 3.309 10 30 CGEERN CC#CCCC(=O)c1ccc(N)cc1Br ZINC000306735676 346457007 /nfs/dbraw/zinc/45/70/07/346457007.db2.gz WLAZTEGGURXIJZ-UHFFFAOYSA-N 0 0 266.138 3.018 10 30 CGEERN N#Cc1cc(C(F)(F)F)c(CO)cc1C(F)(F)F ZINC000514260805 346635656 /nfs/dbraw/zinc/63/56/56/346635656.db2.gz LJUPBFGZZRPKER-UHFFFAOYSA-N 0 0 269.144 3.088 10 30 CGEERN C[C@H](O)[C@@](C)(/C=C/Sc1ccccc1)/C=N/N(C)C ZINC000584655808 346706043 /nfs/dbraw/zinc/70/60/43/346706043.db2.gz XPIOENTXRHOVQG-OJKOKEPXSA-N 0 0 278.421 3.227 10 30 CGEERN CCOC(=O)[C@@](CCC#N)(c1ccccc1)N(CC)CC ZINC000584595228 346687143 /nfs/dbraw/zinc/68/71/43/346687143.db2.gz AVVXBZXKOZTAMM-QGZVFWFLSA-N 0 0 288.391 3.091 10 30 CGEERN CCOC(=O)[C@](C#N)(CC)[C@](C)(C#N)c1ccc(F)cc1 ZINC000584596987 346687901 /nfs/dbraw/zinc/68/79/01/346687901.db2.gz XJYKFZBFRJOYJM-HZPDHXFCSA-N 0 0 288.322 3.090 10 30 CGEERN C=C(C(=O)OC)[C@H](F)c1cccc(Br)c1 ZINC000584606817 346691322 /nfs/dbraw/zinc/69/13/22/346691322.db2.gz YZGFUYRULLZTQT-JTQLQIEISA-N 0 0 273.101 3.189 10 30 CGEERN CC(N)=C(SC(F)(F)F)C(=O)c1ccccc1 ZINC000584609511 346691768 /nfs/dbraw/zinc/69/17/68/346691768.db2.gz CSLGGSAMSKRUSS-JXMROGBWSA-N 0 0 261.268 3.313 10 30 CGEERN N#CCCNC(=O)c1ccc(-c2ccc(F)cc2)cc1 ZINC000584611863 346692489 /nfs/dbraw/zinc/69/24/89/346692489.db2.gz PUAULXLDRCIJEC-UHFFFAOYSA-N 0 0 268.291 3.136 10 30 CGEERN CCC[C@H](O)C#CCCCC(=O)CCCCCC(=O)OC ZINC000584617711 346694667 /nfs/dbraw/zinc/69/46/67/346694667.db2.gz KRIYDRALJZBYFE-HNNXBMFYSA-N 0 0 296.407 3.014 10 30 CGEERN O=C1c2ccccc2C(=O)C(C(F)(F)F)=C1Cl ZINC000584624600 346696533 /nfs/dbraw/zinc/69/65/33/346696533.db2.gz HHAMPFJTNOCDFZ-UHFFFAOYSA-N 0 0 260.598 3.121 10 30 CGEERN COC(=O)C[C@@H]1CCC(c2ccc(Cl)cc2)=CC1=O ZINC000584631223 346698902 /nfs/dbraw/zinc/69/89/02/346698902.db2.gz DPZRNBOQKZGECW-LBPRGKRZSA-N 0 0 278.735 3.266 10 30 CGEERN O=C1C=C(O)[C@@H](Cc2ccc(Br)cc2)C1 ZINC000101983235 185767533 /nfs/dbraw/zinc/76/75/33/185767533.db2.gz JQVXXPHAYPAKTJ-VIFPVBQESA-N 0 0 267.122 3.023 10 30 CGEERN CCOC(=O)C(Cl)=NNc1cc(Cl)ccc1C ZINC000606206194 348172728 /nfs/dbraw/zinc/17/27/28/348172728.db2.gz MLJISRPTQOZEMA-UHFFFAOYSA-N 0 0 275.135 3.176 10 30 CGEERN N#CCc1ccc(OC(F)F)cc1OC(F)(F)F ZINC000616576007 348834450 /nfs/dbraw/zinc/83/44/50/348834450.db2.gz KWKRHKARZNSARM-UHFFFAOYSA-N 0 0 267.153 3.253 10 30 CGEERN CCOC(=O)N1CCCC[C@@H]1c1ccc(C#N)cc1 ZINC000616613268 348846004 /nfs/dbraw/zinc/84/60/04/348846004.db2.gz SFUDFHOBHZACRD-CQSZACIVSA-N 0 0 258.321 3.242 10 30 CGEERN CCOC(=O)N1CCCC[C@H](c2cccc(C#N)c2)C1 ZINC000616628996 348851959 /nfs/dbraw/zinc/85/19/59/348851959.db2.gz MNHHIFCWUSLJBN-HNNXBMFYSA-N 0 0 272.348 3.284 10 30 CGEERN CC(=O)N1C[C@H](c2ccc(C#N)cc2)Cc2ccccc21 ZINC000616671861 348861648 /nfs/dbraw/zinc/86/16/48/348861648.db2.gz DRWSSAVCUPJCAY-QGZVFWFLSA-N 0 0 276.339 3.251 10 30 CGEERN COCc1nn(C2CCCCC2)c(Cl)c1C#N ZINC000104259706 185946895 /nfs/dbraw/zinc/94/68/95/185946895.db2.gz YUYKIWSEGXUPKS-UHFFFAOYSA-N 0 0 253.733 3.060 10 30 CGEERN C=CCn1c(I)cc2ccccc21 ZINC000089203633 179753524 /nfs/dbraw/zinc/75/35/24/179753524.db2.gz SQZRFUNLKRADDG-UHFFFAOYSA-N 0 0 283.112 3.432 10 30 CGEERN Cc1nn(C)c(Oc2ccc(C)cc2Cl)c1C#N ZINC000104323866 185968645 /nfs/dbraw/zinc/96/86/45/185968645.db2.gz XGBNSEPMMLIQIJ-UHFFFAOYSA-N 0 0 261.712 3.354 10 30 CGEERN Cc1nnc([C@@H](C)Nc2c(F)cc(C#N)cc2F)s1 ZINC000273556331 192201077 /nfs/dbraw/zinc/20/10/77/192201077.db2.gz ZZQHHJPTHOKASE-ZCFIWIBFSA-N 0 0 280.303 3.170 10 30 CGEERN N#Cc1nccnc1NC[C@H]1C[C@]12CCCc1ccccc12 ZINC000301673291 283255197 /nfs/dbraw/zinc/25/51/97/283255197.db2.gz ZWYVJXLAZTWYTQ-RDTXWAMCSA-N 0 0 290.370 3.054 10 30 CGEERN Cn1cc([C@@H]2CCCN2c2cccc(Cl)c2C#N)cn1 ZINC000297034789 200067109 /nfs/dbraw/zinc/06/71/09/200067109.db2.gz HOQMFDGIZBZBBU-AWEZNQCLSA-N 0 0 286.766 3.287 10 30 CGEERN CN(C(=O)[C@@H]1CCCCC1(F)F)c1ccccc1C#N ZINC000297903981 200301367 /nfs/dbraw/zinc/30/13/67/200301367.db2.gz STPAEYZRZPKLTF-LBPRGKRZSA-N 0 0 278.302 3.347 10 30 CGEERN N#Cc1cc(Cl)ccc1NCCC(=O)NC1CCCC1 ZINC000301217284 200939507 /nfs/dbraw/zinc/93/95/07/200939507.db2.gz ZXIMKVOHVNFNJT-UHFFFAOYSA-N 0 0 291.782 3.072 10 30 CGEERN CO[C@H](C)c1nc(CN(C)c2ccc(C#N)cc2)cs1 ZINC000301522422 201045693 /nfs/dbraw/zinc/04/56/93/201045693.db2.gz DSKNSNNJMZHHGB-LLVKDONJSA-N 0 0 287.388 3.359 10 30 CGEERN CN(C)c1ccc(/C=N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000003172602 368494954 /nfs/dbraw/zinc/49/49/54/368494954.db2.gz ANPQNWIOTRVLFZ-JYFOCSDGSA-N 0 0 296.330 3.114 10 30 CGEERN CC1=Cc2ccc3c(c2C(=O)C1=O)CCCC3(C)C ZINC000013821940 368668214 /nfs/dbraw/zinc/66/82/14/368668214.db2.gz FAZSSMGSVFTRAW-UHFFFAOYSA-N 0 0 254.329 3.469 10 30 CGEERN C[C@H](NC(=O)CSCC#N)c1ccc(C(C)(C)C)cc1 ZINC000041813916 369197793 /nfs/dbraw/zinc/19/77/93/369197793.db2.gz URGDLJQYFSFBEH-LBPRGKRZSA-N 0 0 290.432 3.418 10 30 CGEERN C=CCNC(=O)N[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000127756229 370956865 /nfs/dbraw/zinc/95/68/65/370956865.db2.gz IXMLEHWCSQIGDN-ZDUSSCGKSA-N 0 0 276.380 3.268 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)Nc1cccc(Cl)c1 ZINC000061889362 369610507 /nfs/dbraw/zinc/61/05/07/369610507.db2.gz WSOVRWSMHYIOBU-CABZTGNLSA-N 0 0 263.728 3.154 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000070579214 369805250 /nfs/dbraw/zinc/80/52/50/369805250.db2.gz XIPCFCRDNBYJJT-GXFFZTMASA-N 0 0 297.185 3.344 10 30 CGEERN COC(=O)c1ccc(/N=C\c2ccc(OC)cc2)cc1 ZINC000100200336 370273966 /nfs/dbraw/zinc/27/39/66/370273966.db2.gz MKAJIWRJVNVWRN-BOPFTXTBSA-N 0 0 269.300 3.232 10 30 CGEERN COc1ccc(/C=N\c2ccc(NC(C)=O)cc2)cc1 ZINC000100207620 370274070 /nfs/dbraw/zinc/27/40/70/370274070.db2.gz WETLYFZXYMPDDP-BOPFTXTBSA-N 0 0 268.316 3.404 10 30 CGEERN CCN(C[C@H](C)C#N)[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000101727981 370295248 /nfs/dbraw/zinc/29/52/48/370295248.db2.gz FTAAEYGMOQHXLG-OLZOCXBDSA-N 0 0 284.363 3.279 10 30 CGEERN CC(=O)CC[C@@H]1[C@@H](C#N)[C@@H](C(C)C)CC[C@@]1(C)OC(C)=O ZINC000102933512 370315710 /nfs/dbraw/zinc/31/57/10/370315710.db2.gz OETYWDPXRCDDQP-YYIAUSFCSA-N 0 0 293.407 3.499 10 30 CGEERN N#Cc1cccc(CNC(=O)N2CCC[C@@H]2c2ccco2)c1 ZINC000116421626 370560411 /nfs/dbraw/zinc/56/04/11/370560411.db2.gz FOIOFAFEPZBOME-OAHLLOKOSA-N 0 0 295.342 3.198 10 30 CGEERN Cc1cc(NCCc2cccc(F)c2)c(C#N)c(C)n1 ZINC000133752426 371277313 /nfs/dbraw/zinc/27/73/13/371277313.db2.gz GSPHJZGCPQMOKP-UHFFFAOYSA-N 0 0 269.323 3.364 10 30 CGEERN c1cn2c(nc(-c3ccccc3)c2N/N=C2\N=CN=N2)s1 ZINC000136855941 371486158 /nfs/dbraw/zinc/48/61/58/371486158.db2.gz LYHKZHMQTLPAOR-XDHOZWIPSA-N 0 0 295.331 3.240 10 30 CGEERN N#CCc1cccc(Br)c1Br ZINC000141340701 371513426 /nfs/dbraw/zinc/51/34/26/371513426.db2.gz OPCMJRIVORQMRF-UHFFFAOYSA-N 0 0 274.943 3.278 10 30 CGEERN Cc1nnc([C@H](C)Nc2ccc(F)cc2C#N)s1 ZINC000353296271 220014239 /nfs/dbraw/zinc/01/42/39/220014239.db2.gz XYBOLOJYYDMUMC-ZETCQYMHSA-N 0 0 262.313 3.030 10 30 CGEERN C=CCCC(=O)N1CC=C(c2ccccc2F)CC1 ZINC000159614817 372161791 /nfs/dbraw/zinc/16/17/91/372161791.db2.gz IGDIKYWJKSURGJ-UHFFFAOYSA-N 0 0 259.324 3.408 10 30 CGEERN c1ccc(NC2=N[C@@]3(CCCCO3)CCS2)cc1 ZINC000169316184 372628887 /nfs/dbraw/zinc/62/88/87/372628887.db2.gz HVHRARZWDHUNPS-CQSZACIVSA-N 0 0 262.378 3.297 10 30 CGEERN N#Cc1ccccc1CN1CCC[C@@H]1c1ccco1 ZINC000172027628 372886221 /nfs/dbraw/zinc/88/62/21/372886221.db2.gz FKWFYZLRPWWJRY-OAHLLOKOSA-N 0 0 252.317 3.488 10 30 CGEERN C=CCCCC(=O)N1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000176014702 373549480 /nfs/dbraw/zinc/54/94/80/373549480.db2.gz QNFAUJFPPGOVHH-GFCCVEGCSA-N 0 0 277.368 3.213 10 30 CGEERN CCN(Cc1cccc(C)c1)c1ccc([N+](=O)[O-])c(C#N)n1 ZINC000302748906 373950042 /nfs/dbraw/zinc/95/00/42/373950042.db2.gz UMBCEQYWILOMSA-UHFFFAOYSA-N 0 0 296.330 3.196 10 30 CGEERN CCN(c1ccc([N+](=O)[O-])c(C#N)n1)C1CCCCC1 ZINC000302710490 373937690 /nfs/dbraw/zinc/93/76/90/373937690.db2.gz HZBCWZUDGCQLRH-UHFFFAOYSA-N 0 0 274.324 3.020 10 30 CGEERN C[C@@H]1C[C@@H](C(=O)NC2(C#N)CCCC2)CC(C)(C)C1 ZINC000182625238 374299774 /nfs/dbraw/zinc/29/97/74/374299774.db2.gz XAIZZSNUWLVUMT-CHWSQXEVSA-N 0 0 262.397 3.401 10 30 CGEERN C[C@@H](C(=O)Nc1ccccc1)N1CCC[C@@H](n2cccn2)C1 ZINC000328713461 374377526 /nfs/dbraw/zinc/37/75/26/374377526.db2.gz RZTNDXUTJJLHJU-GOEBONIOSA-N 0 0 298.390 3.197 10 30 CGEERN O=C(C[C@@H]1CCCCNC1=O)NC[C@@H]1CC=CCC1 ZINC000328754677 374380922 /nfs/dbraw/zinc/38/09/22/374380922.db2.gz DVWOOVRUUOTVMZ-OLZOCXBDSA-N 0 0 264.369 3.446 10 30 CGEERN CO[C@]1(C)C[C@H](NC(=O)C[C@@H]2CCCCC(=O)N2)C1(C)C ZINC000328850634 374387352 /nfs/dbraw/zinc/38/73/52/374387352.db2.gz WNILZBAFQHSIAD-MQIPJXDCSA-N 0 0 296.411 3.436 10 30 CGEERN C[C@H](Nc1cnn(-c2ncccc2C#N)c1)c1cccs1 ZINC000186018675 374784797 /nfs/dbraw/zinc/78/47/97/374784797.db2.gz FEYPEQVYQOWXHR-NSHDSACASA-N 0 0 295.371 3.374 10 30 CGEERN C=CC[C@H](C(=O)N[C@H](C)[C@H]1CCCO1)c1ccccc1 ZINC000186602847 374884774 /nfs/dbraw/zinc/88/47/74/374884774.db2.gz YBVWKQDPOBRKAV-VNQPRFMTSA-N 0 0 273.376 3.030 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)Cc1ccc(Cl)cc1Cl ZINC000334549143 374848005 /nfs/dbraw/zinc/84/80/05/374848005.db2.gz DGSWVRFNLSNVMX-ZWNOBZJWSA-N 0 0 297.185 3.344 10 30 CGEERN CC(C)(C#N)C(=O)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191208489 375594403 /nfs/dbraw/zinc/59/44/03/375594403.db2.gz HIFYKDPYGFMKDQ-NSHDSACASA-N 0 0 292.329 3.221 10 30 CGEERN C[C@@H](C#N)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191681778 375651473 /nfs/dbraw/zinc/65/14/73/375651473.db2.gz VRVNNSALLUFNPM-QWRGUYRKSA-N 0 0 250.292 3.056 10 30 CGEERN C[C@@H](C#N)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000192608584 375769468 /nfs/dbraw/zinc/76/94/68/375769468.db2.gz CUIARQIJOHYQEC-LBPRGKRZSA-N 0 0 253.349 3.259 10 30 CGEERN O=[N+]([O-])c1ccc2c(c1)[C@H]1O[C@H]1C1(CCCCC1)O2 ZINC000196887331 376120730 /nfs/dbraw/zinc/12/07/30/376120730.db2.gz MCKXJUFFKKLREJ-CHWSQXEVSA-N 0 0 261.277 3.130 10 30 CGEERN CCc1ccc([C@H](C)NC(=O)c2ccnc(C#N)c2)cc1 ZINC000195029340 376070026 /nfs/dbraw/zinc/07/00/26/376070026.db2.gz WABHZNPMZDAYGO-LBPRGKRZSA-N 0 0 279.343 3.007 10 30 CGEERN N#CCC(=O)c1ccc(Cl)cc1Br ZINC000228793548 376450007 /nfs/dbraw/zinc/45/00/07/376450007.db2.gz IFXXDNOSJHHORO-UHFFFAOYSA-N 0 0 258.502 3.199 10 30 CGEERN CC(C)CCC[C@H](C)Nc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000232546115 376582077 /nfs/dbraw/zinc/58/20/77/376582077.db2.gz FTWKPYDDDAOCSU-NSHDSACASA-N 0 0 276.340 3.488 10 30 CGEERN Cc1cc([C@H](C)Nc2ccc([N+](=O)[O-])c(C#N)n2)c(C)o1 ZINC000235540607 376644537 /nfs/dbraw/zinc/64/45/37/376644537.db2.gz GRMJQIVIQSHVCF-VIFPVBQESA-N 0 0 286.291 3.244 10 30 CGEERN Fc1ccc(NC(=S)NN=Cc2cccs2)c(F)c1 ZINC000254506310 377709080 /nfs/dbraw/zinc/70/90/80/377709080.db2.gz VAMQBVHBFOSEPI-UHFFFAOYSA-N 0 0 297.355 3.347 10 30 CGEERN O=C(/C=C\c1ccccc1)[C@@H]1O[C@@H]1c1ccccc1 ZINC000256013438 377792071 /nfs/dbraw/zinc/79/20/71/377792071.db2.gz YJSQWGOYKMBMTF-MMCLNADLSA-N 0 0 250.297 3.409 10 30 CGEERN CCOC(=O)Cc1c(C#N)ccc(CC)c1C(F)F ZINC000575389416 377897770 /nfs/dbraw/zinc/89/77/70/377897770.db2.gz GZBQKWZIUWQOPP-UHFFFAOYSA-N 0 0 267.275 3.164 10 30 CGEERN COC(=O)c1cc(SC(F)(F)F)cc(F)c1C#N ZINC000575390586 377898618 /nfs/dbraw/zinc/89/86/18/377898618.db2.gz ASPAEILZBDLETK-UHFFFAOYSA-N 0 0 279.214 3.096 10 30 CGEERN CCOC(=O)c1cc(O)cc(C#N)c1SC(F)(F)F ZINC000575392054 377900417 /nfs/dbraw/zinc/90/04/17/377900417.db2.gz NLNINZFRSRBETR-UHFFFAOYSA-N 0 0 291.250 3.052 10 30 CGEERN COC(=O)c1ccc(Cl)c(C(F)(F)F)c1C#N ZINC000575383052 377894007 /nfs/dbraw/zinc/89/40/07/377894007.db2.gz CVZRQBHXDLIWDO-UHFFFAOYSA-N 0 0 263.602 3.017 10 30 CGEERN CCOC(=O)c1cc(C#N)c(CC)cc1OC(F)(F)F ZINC000575388783 377896403 /nfs/dbraw/zinc/89/64/03/377896403.db2.gz FKNGJFXUJSJLTN-UHFFFAOYSA-N 0 0 287.237 3.196 10 30 CGEERN O=C(/C=C/Cl)c1ccc(Br)c(O)c1 ZINC000575518190 377916171 /nfs/dbraw/zinc/91/61/71/377916171.db2.gz OWTASDJZCYEEJO-ONEGZZNKSA-N 0 0 261.502 3.090 10 30 CGEERN CC(C)(C)OC(=O)N[C@]1(C#N)CCC12CCCC2 ZINC000575523696 377916372 /nfs/dbraw/zinc/91/63/72/377916372.db2.gz VKZFAJNFBRUZCS-AWEZNQCLSA-N 0 0 250.342 3.128 10 30 CGEERN CCOc1cc(OCC)c(CC#N)c(OC(F)F)c1 ZINC000575650815 377928210 /nfs/dbraw/zinc/92/82/10/377928210.db2.gz TUCRRNSPSRBZNT-UHFFFAOYSA-N 0 0 271.263 3.151 10 30 CGEERN CCOc1ccc(CC#N)c(OC(F)F)c1CC ZINC000575655780 377932447 /nfs/dbraw/zinc/93/24/47/377932447.db2.gz MKEMWJINMPQBRC-UHFFFAOYSA-N 0 0 255.264 3.315 10 30 CGEERN N#CCc1cc(OC(F)F)cc([N+](=O)[O-])c1C(F)(F)F ZINC000575665529 377941907 /nfs/dbraw/zinc/94/19/07/377941907.db2.gz GKXFWOLTIORQHN-UHFFFAOYSA-N 0 0 296.151 3.281 10 30 CGEERN COc1c(CC#N)cc(C(F)(F)F)cc1OC(F)F ZINC000575665564 377942138 /nfs/dbraw/zinc/94/21/38/377942138.db2.gz PUDYRKLUVCWQIO-UHFFFAOYSA-N 0 0 281.180 3.381 10 30 CGEERN Cc1c(Br)ccc(OC(F)F)c1CC#N ZINC000575682765 377956913 /nfs/dbraw/zinc/95/69/13/377956913.db2.gz BHEYHUARDCURFP-UHFFFAOYSA-N 0 0 276.080 3.425 10 30 CGEERN N#Cc1ccc(Cl)c(OC(F)F)c1OC(F)F ZINC000575675893 377950490 /nfs/dbraw/zinc/95/04/90/377950490.db2.gz KSSIXRAXVPICCW-UHFFFAOYSA-N 0 0 269.581 3.414 10 30 CGEERN CCOC(=O)c1c(C#N)ccc(C)c1C(F)(F)F ZINC000575395232 377902152 /nfs/dbraw/zinc/90/21/52/377902152.db2.gz TXBMCNSKDJHKPN-UHFFFAOYSA-N 0 0 257.211 3.062 10 30 CGEERN COC(=O)Cc1ccc(C)c(SC(F)(F)F)c1C#N ZINC000575395747 377903379 /nfs/dbraw/zinc/90/33/79/377903379.db2.gz OSBAEEMJZPBWHZ-UHFFFAOYSA-N 0 0 289.278 3.194 10 30 CGEERN Fc1cc(OC(F)(F)F)cc(F)c1OC(F)F ZINC000575396770 377903444 /nfs/dbraw/zinc/90/34/44/377903444.db2.gz CGLTWLPRVOHFLF-UHFFFAOYSA-N 0 0 264.096 3.465 10 30 CGEERN Fc1cc(OC(F)F)cc(OC(F)(F)F)c1F ZINC000575396792 377903659 /nfs/dbraw/zinc/90/36/59/377903659.db2.gz PJTUQYKVKBFACW-UHFFFAOYSA-N 0 0 264.096 3.465 10 30 CGEERN Fc1cc(OC(F)F)c(OC(F)(F)F)cc1F ZINC000575396775 377904051 /nfs/dbraw/zinc/90/40/51/377904051.db2.gz FSLIFODXSOEMGX-UHFFFAOYSA-N 0 0 264.096 3.465 10 30 CGEERN CC(C)(C)OC(=O)NCC[C@H]1CC[C@H](CC=O)CC1 ZINC000575448719 377913567 /nfs/dbraw/zinc/91/35/67/377913567.db2.gz QPEFPHCYVMZTGA-JOCQHMNTSA-N 0 0 269.385 3.297 10 30 CGEERN N#CCc1c(O)cc(Br)cc1C(F)F ZINC000575687079 377961867 /nfs/dbraw/zinc/96/18/67/377961867.db2.gz UBQSWTRYEDWEMJ-UHFFFAOYSA-N 0 0 262.053 3.158 10 30 CGEERN N#CCc1c(Br)cc(O)cc1C(F)F ZINC000575687626 377961938 /nfs/dbraw/zinc/96/19/38/377961938.db2.gz UYRQPBKVBWVRFN-UHFFFAOYSA-N 0 0 262.053 3.158 10 30 CGEERN N#Cc1cc(F)c(Br)c(OC(F)(F)F)c1 ZINC000575688651 377964340 /nfs/dbraw/zinc/96/43/40/377964340.db2.gz XKPJICSTOOAPFR-UHFFFAOYSA-N 0 0 284.006 3.358 10 30 CGEERN N#CCc1c(O)c(Br)ccc1C(F)(F)F ZINC000575691240 377966829 /nfs/dbraw/zinc/96/68/29/377966829.db2.gz JRAGYKBMCGLNQV-UHFFFAOYSA-N 0 0 280.043 3.240 10 30 CGEERN Oc1c(F)ccc(C(F)(F)F)c1OC(F)(F)F ZINC000575703318 377976997 /nfs/dbraw/zinc/97/69/97/377976997.db2.gz LQEUGWLHDMGBCX-UHFFFAOYSA-N 0 0 264.096 3.449 10 30 CGEERN COC1(OC)C=CC(/C=C\C(=O)c2ccccc2)=CC1 ZINC000095932600 284736503 /nfs/dbraw/zinc/73/65/03/284736503.db2.gz BGNLPNLDAOSZTQ-HJWRWDBZSA-N 0 0 270.328 3.301 10 30 CGEERN Cc1csc([C@@H]2CCCCN2c2cccc(C#N)n2)n1 ZINC000407995444 379987850 /nfs/dbraw/zinc/98/78/50/379987850.db2.gz HSUFLQNTRPXOED-ZDUSSCGKSA-N 0 0 284.388 3.450 10 30 CGEERN C[C@@H]1CCc2c(C(=O)N[C@@H]3CCC[C@H]3C#N)csc2C1 ZINC000408333776 380005365 /nfs/dbraw/zinc/00/53/65/380005365.db2.gz IGHVQABYOHQFMI-UHIISALHSA-N 0 0 288.416 3.295 10 30 CGEERN C#CCCCC(=O)N[C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000192170984 533022633 /nfs/dbraw/zinc/02/26/33/533022633.db2.gz BOEIFTKPLLTIOL-SUMWQHHRSA-N 0 0 255.361 3.148 10 30 CGEERN C[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@H]2C#N)CC12CCC2 ZINC000329553838 542447030 /nfs/dbraw/zinc/44/70/30/542447030.db2.gz BCIRPZCINSOKBQ-HZSPNIEDSA-N 0 0 275.396 3.105 10 30 CGEERN O=C(NC(C1CCC1)C1CCC1)N[C@@H]1CCCCC[C@H]1O ZINC000329692932 542448883 /nfs/dbraw/zinc/44/88/83/542448883.db2.gz CHZLEWMPRMFHGH-HUUCEWRRSA-N 0 0 294.439 3.152 10 30 CGEERN C[C@H]1OCC[C@H]1NC(=O)N[C@@H]1CCCCC12CCCC2 ZINC000330179194 542450243 /nfs/dbraw/zinc/45/02/43/542450243.db2.gz FFXPEEXPJXVZLB-MGPQQGTHSA-N 0 0 280.412 3.170 10 30 CGEERN CCc1ccc(NC(=O)[C@H]2CCCO[C@H]2CC)c(C#N)c1 ZINC000521394044 256855206 /nfs/dbraw/zinc/85/52/06/256855206.db2.gz SKNUKRCXNCJSMC-HOCLYGCPSA-N 0 0 286.375 3.264 10 30 CGEERN C=CC[C@@H](C(=O)N1CCS[C@@H](C)C1)c1ccccc1 ZINC000189140357 129927320 /nfs/dbraw/zinc/92/73/20/129927320.db2.gz AICLLNJZFGPLIT-DZGCQCFKSA-N 0 0 275.417 3.310 10 30 CGEERN C=C(C)CCC(=O)[C@H](C)NC(=O)OCc1ccccc1 ZINC000406122510 542628013 /nfs/dbraw/zinc/62/80/13/542628013.db2.gz UWVAVLGAHWUOCP-ZDUSSCGKSA-N 0 0 275.348 3.227 10 30 CGEERN C=CCOc1ccc(COC(=O)[C@H]2CCCO[C@H]2C)cc1 ZINC000192294790 130415070 /nfs/dbraw/zinc/41/50/70/130415070.db2.gz FYJWNEVAAGQJTM-BBRMVZONSA-N 0 0 290.359 3.110 10 30 CGEERN Cc1sc2ncnc(N[C@H]3CCC[C@H]3C#N)c2c1C ZINC000408327715 392971791 /nfs/dbraw/zinc/97/17/91/392971791.db2.gz GEYLQEYZBAPBMW-QWRGUYRKSA-N 0 0 272.377 3.412 10 30 CGEERN N#CCc1c(Cl)cc([N+](=O)[O-])cc1C(F)(F)F ZINC000216518590 392990861 /nfs/dbraw/zinc/99/08/61/392990861.db2.gz QQGQHSUXYRHEGC-UHFFFAOYSA-N 0 0 264.590 3.333 10 30 CGEERN N#Cc1ccc(N2CCC3(CC2)OCCO3)c2ccccc12 ZINC000035875430 134516598 /nfs/dbraw/zinc/51/65/98/134516598.db2.gz IMNRZUJBZQHXQI-UHFFFAOYSA-N 0 0 294.354 3.055 10 30 CGEERN N#Cc1sc(OCc2ccccc2)nc1Cl ZINC000307516673 397680933 /nfs/dbraw/zinc/68/09/33/397680933.db2.gz VVSDXFZWTTWBAS-UHFFFAOYSA-N 0 0 250.710 3.247 10 30 CGEERN CC(N=Nc1c(F)c(F)cc(F)c1F)c1cccnc1 ZINC000005621270 170120912 /nfs/dbraw/zinc/12/09/12/170120912.db2.gz PBHSQLIEQGFPSR-FBCYGCLPSA-N 0 0 283.228 3.474 10 30 CGEERN COc1ccc(-c2ccc(C#N)c(Cl)n2)cc1F ZINC000009280529 170370147 /nfs/dbraw/zinc/37/01/47/170370147.db2.gz VDFHZWMMZSZIBF-UHFFFAOYSA-N 0 0 262.671 3.421 10 30 CGEERN COc1ccc2c(c1)C(=O)/C(=C/c1ccncc1)CC2 ZINC000013824052 170600022 /nfs/dbraw/zinc/60/00/22/170600022.db2.gz SHPPSFGJYGIXDS-GXDHUFHOSA-N 0 0 265.312 3.303 10 30 CGEERN Cc1cc(OCc2ccc(C#N)cc2F)ccc1N ZINC000019391732 170781607 /nfs/dbraw/zinc/78/16/07/170781607.db2.gz YXELEZALJPXDDM-UHFFFAOYSA-N 0 0 256.280 3.167 10 30 CGEERN N/C(=N\O)c1cccnc1Oc1cccc(Cl)c1Cl ZINC000019482999 170810813 /nfs/dbraw/zinc/81/08/13/170810813.db2.gz SYDXNUFHNPIXLT-UHFFFAOYSA-N 0 0 298.129 3.275 10 30 CGEERN CC[C@H]1CCCC[C@@H]1OCc1cccc(/C(N)=N/O)c1 ZINC000019808419 170877297 /nfs/dbraw/zinc/87/72/97/170877297.db2.gz MTURJJNXZQEIMO-ZFWWWQNUSA-N 0 0 276.380 3.267 10 30 CGEERN N#CCOc1ccc(NCc2cccc(C#N)c2)cc1 ZINC000020126440 171010480 /nfs/dbraw/zinc/01/04/80/171010480.db2.gz ZTTWPJLWDSNDFG-UHFFFAOYSA-N 0 0 263.300 3.073 10 30 CGEERN Cc1ccc(C(=O)N(CCC#N)c2ccccc2)o1 ZINC000020252400 171104569 /nfs/dbraw/zinc/10/45/69/171104569.db2.gz AJHFNSJDCNSBRQ-UHFFFAOYSA-N 0 0 254.289 3.149 10 30 CGEERN C=CCNC(=O)[C@@H](C)Nc1cc(Cl)cc(Cl)c1 ZINC000020313929 171145703 /nfs/dbraw/zinc/14/57/03/171145703.db2.gz NRGLXBGTILHQFF-MRVPVSSYSA-N 0 0 273.163 3.096 10 30 CGEERN CC(C)CSCCC(=O)Nc1ccccc1C#N ZINC000020368535 171167065 /nfs/dbraw/zinc/16/70/65/171167065.db2.gz PJIBPEOEQKPNLF-UHFFFAOYSA-N 0 0 262.378 3.276 10 30 CGEERN CC(C)(C)OC(=O)N1C[C@@H]2C[C@]23C1=CC(=O)c1ccccc13 ZINC000026835404 171500702 /nfs/dbraw/zinc/50/07/02/171500702.db2.gz BSXDTBRZYMNNRS-VOJFVSQTSA-N 0 0 297.354 3.275 10 30 CGEERN CCc1ccc(OCC(=O)c2ccc(C#N)cc2)cc1 ZINC000035224911 172069321 /nfs/dbraw/zinc/06/93/21/172069321.db2.gz SJRVQRMNBQPKGB-UHFFFAOYSA-N 0 0 265.312 3.382 10 30 CGEERN C[C@@H](O)c1ccc(Oc2ccccc2C#N)c([N+](=O)[O-])c1 ZINC000035631991 172314252 /nfs/dbraw/zinc/31/42/52/172314252.db2.gz GCCRBTPBHHISKX-SNVBAGLBSA-N 0 0 284.271 3.312 10 30 CGEERN N/C(=N\O)c1ccccc1Sc1cc(F)ccc1F ZINC000035676293 172346520 /nfs/dbraw/zinc/34/65/20/172346520.db2.gz WAFAEWXQLYSYST-UHFFFAOYSA-N 0 0 280.299 3.211 10 30 CGEERN COc1ccc(C)cc1[C@@H](C#N)C(=O)C1CCCC1 ZINC000037345860 173142924 /nfs/dbraw/zinc/14/29/24/173142924.db2.gz CGDHRFGWVCCCLF-CQSZACIVSA-N 0 0 257.333 3.370 10 30 CGEERN Cc1cccc(C#CCOc2ccc(Cl)cc2)n1 ZINC000038147818 174134380 /nfs/dbraw/zinc/13/43/80/174134380.db2.gz NYPIBVQWIWWODX-UHFFFAOYSA-N 0 0 257.720 3.474 10 30 CGEERN C=CCNC(=O)Cn1c2ccccc2nc1-c1cccs1 ZINC000040307919 174228870 /nfs/dbraw/zinc/22/88/70/174228870.db2.gz WWFGLYAZKFABRO-UHFFFAOYSA-N 0 0 297.383 3.067 10 30 CGEERN CC[C@H]1CCCCN1C(=O)[C@H](C)Oc1cccc(C#N)c1 ZINC000043463395 175051955 /nfs/dbraw/zinc/05/19/55/175051955.db2.gz YZGDWKLWUQJCGD-ZFWWWQNUSA-N 0 0 286.375 3.117 10 30 CGEERN N#CCCN(Cc1ccc(Br)s1)C1CC1 ZINC000044415048 175173083 /nfs/dbraw/zinc/17/30/83/175173083.db2.gz SAHMOXMGBCWPKB-UHFFFAOYSA-N 0 0 285.210 3.389 10 30 CGEERN Cn1c2ccc(C#N)cc2nc1-c1ccc(F)cc1F ZINC000075901898 176817501 /nfs/dbraw/zinc/81/75/01/176817501.db2.gz DQOSBMZRWYCIPN-UHFFFAOYSA-N 0 0 269.254 3.390 10 30 CGEERN C[C@H]1CC[C@@H](C(=O)NC2(C#N)CCC(C(C)(C)C)CC2)O1 ZINC000187284431 262396189 /nfs/dbraw/zinc/39/61/89/262396189.db2.gz APNWXMJEMQCFGB-PEUXKQIOSA-N 0 0 292.423 3.169 10 30 CGEERN O=C(C[C@@H]1CCCCC(=O)N1)Nc1cnn(C(F)F)c1 ZINC000328674885 263837828 /nfs/dbraw/zinc/83/78/28/263837828.db2.gz QIORJVKRYQFPEE-QMMMGPOBSA-N 0 0 286.282 3.155 10 30 CGEERN O=C(Nc1cccc(-c2ncco2)c1)N1C[C@H]2CCC[C@H]21 ZINC000328773024 263859994 /nfs/dbraw/zinc/85/99/94/263859994.db2.gz RQVYDCWCZLEPMK-TZMCWYRMSA-N 0 0 283.331 3.371 10 30 CGEERN O=C(C[C@H]1CCCCC(=O)N1)NCC1CCSCC1 ZINC000328861841 263882058 /nfs/dbraw/zinc/88/20/58/263882058.db2.gz YZSMSYRFLAWLOM-GFCCVEGCSA-N 0 0 284.425 3.375 10 30 CGEERN O=C(NCc1noc(C2CC2)n1)[C@H]1CCc2ccccc21 ZINC000328953090 263897592 /nfs/dbraw/zinc/89/75/92/263897592.db2.gz MHHLZNIOIQOVIG-ZDUSSCGKSA-N 0 0 283.331 3.134 10 30 CGEERN C=CCCS(=O)(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000129551746 264323380 /nfs/dbraw/zinc/32/33/80/264323380.db2.gz VFWGIMMPFUABGN-ZDUSSCGKSA-N 0 0 289.400 3.396 10 30 CGEERN C=C(C)COCCNc1ccc(-c2ccc(F)cc2)nn1 ZINC000131975502 264377630 /nfs/dbraw/zinc/37/76/30/264377630.db2.gz CEFGNCDGQXONRE-UHFFFAOYSA-N 0 0 287.338 3.287 10 30 CGEERN C=CCC[C@@H](NCc1nnc(C)n1CC)c1ccccc1 ZINC000180036712 264390122 /nfs/dbraw/zinc/39/01/22/264390122.db2.gz MWPLSWOIIXQZOW-MRXNPFEDSA-N 0 0 284.407 3.404 10 30 CGEERN CC(C)(C)OC(=O)N1CC[C@@H](c2ccccc2)/C(=N/O)C1 ZINC000012505957 278405411 /nfs/dbraw/zinc/40/54/11/278405411.db2.gz VYEGGOOMTKYYTR-CQQXOOPHSA-N 0 0 290.363 3.241 10 30 CGEERN N#Cc1cn(C2CCC2)c2ncc(Br)cc12 ZINC000091691572 279541013 /nfs/dbraw/zinc/54/10/13/279541013.db2.gz IXTWPIRMYSPICZ-UHFFFAOYSA-N 0 0 276.137 3.395 10 30 CGEERN N#Cc1nc2ccccc2cc1N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000334055605 279548815 /nfs/dbraw/zinc/54/88/15/279548815.db2.gz UYWOMNRTZUOFAW-DDUZABMNSA-N 0 0 293.370 3.476 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1ccc2c(c1)CCC=C2 ZINC000329191431 294821506 /nfs/dbraw/zinc/82/15/06/294821506.db2.gz RLZLFBZLHRMOEH-JKSUJKDBSA-N 0 0 266.344 3.068 10 30 CGEERN C=CCOCCCC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000173268085 329144227 /nfs/dbraw/zinc/14/42/27/329144227.db2.gz DUBBAOIUUAMVFZ-VXGBXAGGSA-N 0 0 293.329 3.207 10 30 CGEERN C#CCCCCC(=O)N1CCC(c2nc(C)cs2)CC1 ZINC000179976723 329214086 /nfs/dbraw/zinc/21/40/86/329214086.db2.gz FFLWHICCVJFVTN-UHFFFAOYSA-N 0 0 290.432 3.351 10 30 CGEERN C#CCCCC(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000192163529 329429960 /nfs/dbraw/zinc/42/99/60/329429960.db2.gz VFYOMFLOKLSFJK-HNNXBMFYSA-N 0 0 291.778 3.123 10 30 CGEERN C=CCCC(=O)N(C)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000134129195 329657232 /nfs/dbraw/zinc/65/72/32/329657232.db2.gz QXWOSTZJQKIXMR-KBPBESRZSA-N 0 0 265.397 3.149 10 30 CGEERN Cc1csc(C(=O)N[C@@H]2CCC[C@@H]2C#N)c1Cl ZINC000235963278 329684174 /nfs/dbraw/zinc/68/41/74/329684174.db2.gz RNQXTSLDCLMGIU-RKDXNWHRSA-N 0 0 268.769 3.132 10 30 CGEERN CC(C)[C@H]1[C@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[C@H]1C=O ZINC000536956397 330383268 /nfs/dbraw/zinc/38/32/68/330383268.db2.gz ZDFWEZFWAIVZAW-LXTVHRRPSA-N 0 0 295.423 3.351 10 30 CGEERN CCC[C@H](CC(C)C)C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000308092083 333024657 /nfs/dbraw/zinc/02/46/57/333024657.db2.gz STUXEFCKJIUYAC-MGPQQGTHSA-N 0 0 250.386 3.257 10 30 CGEERN CC(C)CN(CC[NH+](C)C)c1ccc(C#N)c(Cl)c1 ZINC000061851157 519717032 /nfs/dbraw/zinc/71/70/32/519717032.db2.gz GDVJCNCZDJJKEX-UHFFFAOYSA-N 0 0 279.815 3.236 10 30 CGEERN C=C(C)[C@@H](NC(=O)C[C@@H](O)C(C)C)c1ccc(F)c(F)c1 ZINC000184841455 518643115 /nfs/dbraw/zinc/64/31/15/518643115.db2.gz VVZOTHRHKJIUFT-GDBMZVCRSA-N 0 0 297.345 3.105 10 30 CGEERN CCCCN(CC)c1ccc(Cl)cc1/C(N)=N/O ZINC000052860490 520484241 /nfs/dbraw/zinc/48/42/41/520484241.db2.gz AYWRSSASEGXQBS-UHFFFAOYSA-N 0 0 269.776 3.061 10 30 CGEERN CCOC1CCN([C@@H](CC#N)c2ccccc2)CC1 ZINC000055020256 521656734 /nfs/dbraw/zinc/65/67/34/521656734.db2.gz NTABEEZOZRODOI-INIZCTEOSA-N 0 0 258.365 3.142 10 30 CGEERN CN(Cc1cccc(Cl)c1)Cc1cccnc1C#N ZINC000061664374 523302610 /nfs/dbraw/zinc/30/26/10/523302610.db2.gz USKDRQZXLLTTRP-UHFFFAOYSA-N 0 0 271.751 3.239 10 30 CGEERN CO[C@@H]1CCC[C@H]1Nc1cc(Cl)ccc1C#N ZINC000062785557 523661223 /nfs/dbraw/zinc/66/12/23/523661223.db2.gz PQMSCRPEKGUGRN-DGCLKSJQSA-N 0 0 250.729 3.191 10 30 CGEERN COCCN(CC(C)C)c1cccc(Cl)c1C#N ZINC000052908879 523682211 /nfs/dbraw/zinc/68/22/11/523682211.db2.gz NISBYMOUWZGQEK-UHFFFAOYSA-N 0 0 266.772 3.320 10 30 CGEERN Cc1ncsc1CNC(=O)C[C@H]1CCCCNC1=O ZINC000329268875 534787737 /nfs/dbraw/zinc/78/77/37/534787737.db2.gz GSYJWNSIGSHYGV-SNVBAGLBSA-N 0 0 281.381 3.055 10 30 CGEERN Cc1cc(Oc2cccc(F)c2C#N)nc(Cl)n1 ZINC000052814002 525386981 /nfs/dbraw/zinc/38/69/81/525386981.db2.gz BSWGHKCNKHKXFK-UHFFFAOYSA-N 0 0 263.659 3.242 10 30 CGEERN C[C@@H](Nc1nccnc1C#N)c1ccccc1Cl ZINC000054378021 525732648 /nfs/dbraw/zinc/73/26/48/525732648.db2.gz FYEREZPMVKKCJL-SECBINFHSA-N 0 0 258.712 3.175 10 30 CGEERN N#Cc1c(F)cccc1Oc1ccc(CCO)cc1 ZINC000157311689 526526880 /nfs/dbraw/zinc/52/68/80/526526880.db2.gz GFPYAPSKIOHDBM-UHFFFAOYSA-N 0 0 257.264 3.024 10 30 CGEERN N#Cc1cc(Oc2ccc([N+](=O)[O-])cc2Cl)ccn1 ZINC000061815426 526575444 /nfs/dbraw/zinc/57/54/44/526575444.db2.gz KSIIDJSWRLIYAR-UHFFFAOYSA-N 0 0 275.651 3.307 10 30 CGEERN N/C(=N/O)c1ccc(OCc2ccccc2)cc1Cl ZINC000061856235 526803594 /nfs/dbraw/zinc/80/35/94/526803594.db2.gz LNNYGSIKIKUBEC-UHFFFAOYSA-N 0 0 276.723 3.014 10 30 CGEERN CC1(C)C[C@@H]1CNC(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000330198185 527706927 /nfs/dbraw/zinc/70/69/27/527706927.db2.gz SXBUXGMFYURKAY-OAGGEKHMSA-N 0 0 297.402 3.186 10 30 CGEERN C#CCOc1ccc(F)cc1NCc1ccc(C#N)s1 ZINC000176976213 618770798 /nfs/dbraw/zinc/77/07/98/618770798.db2.gz BNAOTXDXLGCSON-UHFFFAOYSA-N 0 0 286.331 3.383 10 30 CGEERN CC(C)(CCC#N)COC(=O)Cc1cccc(F)c1 ZINC000195069294 619145996 /nfs/dbraw/zinc/14/59/96/619145996.db2.gz QSXRIQXBPYELSL-UHFFFAOYSA-N 0 0 263.312 3.241 10 30 CGEERN CCCCCCCS(=O)(=O)N[C@H]1COc2ccccc21 ZINC000195194470 619147595 /nfs/dbraw/zinc/14/75/95/619147595.db2.gz QOMVUDPRVXCPEN-AWEZNQCLSA-N 0 0 297.420 3.010 10 30 CGEERN C[C@@H](OC(=O)Cc1ccc2c(c1)CCC2)C(C)(C)C#N ZINC000178818881 619399285 /nfs/dbraw/zinc/39/92/85/619399285.db2.gz GWPZCIIQGVNWDA-GFCCVEGCSA-N 0 0 271.360 3.199 10 30 CGEERN C#CCOCCC(=O)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000179189508 620371989 /nfs/dbraw/zinc/37/19/89/620371989.db2.gz DEKLMQRWIWUEBQ-CQSZACIVSA-N 0 0 273.376 3.027 10 30 CGEERN C#CCCCNC(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000179233873 620373867 /nfs/dbraw/zinc/37/38/67/620373867.db2.gz DMKCUFIUAUZCCQ-BBRMVZONSA-N 0 0 270.376 3.338 10 30 CGEERN COc1cccc2cc(CN[C@H]3CCC[C@H]3C#N)oc21 ZINC000061892185 623186441 /nfs/dbraw/zinc/18/64/41/623186441.db2.gz NRCJSAGFDOWKSK-JSGCOSHPSA-N 0 0 270.332 3.223 10 30 CGEERN C#CC[C@@H](OC(=O)CCc1ccccc1)c1ccccn1 ZINC000105549339 635920722 /nfs/dbraw/zinc/92/07/22/635920722.db2.gz WVLOIUSRXSKLLA-QGZVFWFLSA-N 0 0 279.339 3.322 10 30 CGEERN CCCCCNC(=O)[C@@H](C#N)C(=O)C[C@@H](CC)C(C)C ZINC000105755723 636003258 /nfs/dbraw/zinc/00/32/58/636003258.db2.gz NLZDPDPVJQKXLS-KGLIPLIRSA-N 0 0 280.412 3.074 10 30 CGEERN C#CCOCCC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000159260069 640036969 /nfs/dbraw/zinc/03/69/69/640036969.db2.gz WDSWCLKFJVCTQX-AWEZNQCLSA-N 0 0 281.355 3.057 10 30 CGEERN C#CCCCCCOC(=O)/C=C\c1ccccc1C#N ZINC000588456553 799697614 /nfs/dbraw/zinc/69/76/14/799697614.db2.gz IKOMBKVVVROKSK-QXMHVHEDSA-N 0 0 267.328 3.308 10 30 CGEERN C=C[C@@H](C)OC(=O)/C=C\c1ccnc2ccccc12 ZINC000588539609 799708484 /nfs/dbraw/zinc/70/84/84/799708484.db2.gz IYDRFLYEPDLWIG-JLVNDZCYSA-N 0 0 253.301 3.366 10 30 CGEERN CC[C@H](CC#N)OC(=O)/C(C)=C\c1ccc(OC)c(F)c1 ZINC000588558100 799711701 /nfs/dbraw/zinc/71/17/01/799711701.db2.gz BFUSIOZGVPKYQX-PRWOLLLXSA-N 0 0 291.322 3.473 10 30 CGEERN O=C(/C=C\c1cocn1)c1cc(Br)cs1 ZINC000588601056 799720209 /nfs/dbraw/zinc/72/02/09/799720209.db2.gz COEBXCGFUIGQKW-UPHRSURJSA-N 0 0 284.134 3.395 10 30 CGEERN CCCCCCCC[N@@H+]1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000710228675 977496108 /nfs/dbraw/zinc/49/61/08/977496108.db2.gz LXVUDTJOZXIFLY-ZFWWWQNUSA-N 0 0 255.402 3.390 10 30 CGEERN O[C@@H](c1ccc(F)cc1C(F)(F)F)C(F)(F)F ZINC000095803114 185027698 /nfs/dbraw/zinc/02/76/98/185027698.db2.gz CEVXMGQXRIGDGS-ZETCQYMHSA-N 0 0 262.124 3.440 10 30 CGEERN Cc1ccc([S@@](=O)c2cccc(F)c2C#N)cc1 ZINC000034523413 344940262 /nfs/dbraw/zinc/94/02/62/344940262.db2.gz SEJCWDPOPKEDGO-SFHVURJKSA-N 0 0 259.305 3.173 10 30 CGEERN CCCCCCCCCCC[C@H](O)[C@H]1O[C@H]1C(=O)N(C)C ZINC000043397041 344997941 /nfs/dbraw/zinc/99/79/41/344997941.db2.gz YFJDMVBPXGJWBW-ARFHVFGLSA-N 0 0 299.455 3.124 10 30 CGEERN N#Cc1c(Cl)cccc1-n1cc(Br)cn1 ZINC000052907204 345110308 /nfs/dbraw/zinc/11/03/08/345110308.db2.gz DBNITZVNPWMLFP-UHFFFAOYSA-N 0 0 282.528 3.160 10 30 CGEERN CCCCCCCCCCCC#Cc1c[nH]c(=O)[nH]c1=O ZINC000058569454 345197308 /nfs/dbraw/zinc/19/73/08/345197308.db2.gz DUUYYFSOPHFVHN-UHFFFAOYSA-N 0 0 290.407 3.336 10 30 CGEERN N#Cc1ccc(C(F)(F)F)nc1N1C[C@@H]2CC=CC[C@H]2C1 ZINC000078370865 345604634 /nfs/dbraw/zinc/60/46/34/345604634.db2.gz LVKKTDJFMUCJKR-RYUDHWBXSA-N 0 0 293.292 3.374 10 30 CGEERN CCOC(=O)CC[C@@H](C)Nc1ccc(C#N)c(Cl)c1 ZINC000089656943 345772865 /nfs/dbraw/zinc/77/28/65/345772865.db2.gz RVDVGGATADSDCZ-SNVBAGLBSA-N 0 0 280.755 3.355 10 30 CGEERN COC(=O)CSc1cc(C#N)c2cc(Cl)ccc2n1 ZINC000092582457 345845963 /nfs/dbraw/zinc/84/59/63/345845963.db2.gz KYLAWSXOUZLKRS-UHFFFAOYSA-N 0 0 292.747 3.025 10 30 CGEERN C[C@@](O)(CC#N)c1ccc(Br)cc1Cl ZINC000135064988 346085549 /nfs/dbraw/zinc/08/55/49/346085549.db2.gz HECZGQRUTIGZLA-SNVBAGLBSA-N 0 0 274.545 3.224 10 30 CGEERN CCCC(=O)C(=CNc1ccccc1C)C(=O)OCC ZINC000148504948 346128287 /nfs/dbraw/zinc/12/82/87/346128287.db2.gz DLUUTDSNBGZXQW-QBFSEMIESA-N 0 0 275.348 3.223 10 30 CGEERN N#CC[C@H](O)c1ccc(Br)cc1Cl ZINC000161124291 346174197 /nfs/dbraw/zinc/17/41/97/346174197.db2.gz DVFSXHYVKUMUAK-VIFPVBQESA-N 0 0 260.518 3.050 10 30 CGEERN C=C(C)C(=O)c1ccc(I)cc1 ZINC000164930056 346183036 /nfs/dbraw/zinc/18/30/36/346183036.db2.gz HBDWVVNDGWKCAH-UHFFFAOYSA-N 0 0 272.085 3.050 10 30 CGEERN C=C(Br)CNc1cc(Cl)nnc1Cl ZINC000168328567 346190510 /nfs/dbraw/zinc/19/05/10/346190510.db2.gz NJSOBQUXBVURDJ-UHFFFAOYSA-N 0 0 282.956 3.104 10 30 CGEERN CN(C)/C=C(\C(=O)c1ccc(F)cc1)c1ccncc1F ZINC000168857073 346191425 /nfs/dbraw/zinc/19/14/25/346191425.db2.gz DRCCSDFIPDVBCG-UVTDQMKNSA-N 0 0 288.297 3.145 10 30 CGEERN CC#CC[C@@H](O)c1ccc(Br)cc1C ZINC000169064191 346192142 /nfs/dbraw/zinc/19/21/42/346192142.db2.gz CCHRKSXQUJUYTH-GFCCVEGCSA-N 0 0 253.139 3.204 10 30 CGEERN COc1c(Cl)c(Br)ccc1CC#N ZINC000218073569 346292551 /nfs/dbraw/zinc/29/25/51/346292551.db2.gz LKDMFEXWAQRGKC-UHFFFAOYSA-N 0 0 260.518 3.177 10 30 CGEERN CN(C)C=CC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000085347784 179028745 /nfs/dbraw/zinc/02/87/45/179028745.db2.gz HILXGRXBVKOZDQ-ZHACJKMWSA-N 0 0 290.363 3.292 10 30 CGEERN N#C[C@@H](c1ccncc1)c1ccc(C(F)(F)F)nc1 ZINC000217351640 346291127 /nfs/dbraw/zinc/29/11/27/346291127.db2.gz BVPKPMCLLYUPPB-NSHDSACASA-N 0 0 263.222 3.151 10 30 CGEERN C=C(C)CNc1cc(Br)cc(C#N)c1 ZINC000227631192 346310009 /nfs/dbraw/zinc/31/00/09/346310009.db2.gz UQNXWEFEHGGZGZ-UHFFFAOYSA-N 0 0 251.127 3.309 10 30 CGEERN N#Cc1ccc(OC2CCC2)cc1Br ZINC000228202054 346314124 /nfs/dbraw/zinc/31/41/24/346314124.db2.gz GZNWXMUPZAWIOU-UHFFFAOYSA-N 0 0 252.111 3.252 10 30 CGEERN C#CCC[C@@H](O)c1cc(C)cc(Br)c1 ZINC000228647614 346314774 /nfs/dbraw/zinc/31/47/74/346314774.db2.gz PURIBQYTYLYIMB-GFCCVEGCSA-N 0 0 253.139 3.204 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NCc1ccc(F)cc1Cl ZINC000230686555 346321233 /nfs/dbraw/zinc/32/12/33/346321233.db2.gz BARULVJTHRAYIN-ZANVPECISA-N 0 0 252.720 3.261 10 30 CGEERN N#Cc1cc2ccccc2cc1I ZINC000238591379 346350120 /nfs/dbraw/zinc/35/01/20/346350120.db2.gz KSMYCLHGVJNQPS-UHFFFAOYSA-N 0 0 279.080 3.316 10 30 CGEERN C#CCCC(=O)c1cccc(C)c1Br ZINC000235776719 346337246 /nfs/dbraw/zinc/33/72/46/346337246.db2.gz NJIDLZBRDIUIAG-UHFFFAOYSA-N 0 0 251.123 3.354 10 30 CGEERN CCOC(=O)c1ccc(N=Cc2cccc(OC)c2O)cc1 ZINC000254630779 346395948 /nfs/dbraw/zinc/39/59/48/346395948.db2.gz MJHNNXMGWZGPAE-UHFFFAOYSA-N 0 0 299.326 3.328 10 30 CGEERN C[C@@H]1CC[C@H](C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)O1 ZINC000128422202 187368917 /nfs/dbraw/zinc/36/89/17/187368917.db2.gz PFTPCKVIZWKZIS-PRHODGIISA-N 0 0 298.264 3.083 10 30 CGEERN C#CCCNc1ccc(C)c(I)c1 ZINC000300743197 346438407 /nfs/dbraw/zinc/43/84/07/346438407.db2.gz FRHAYIBSWOSVRN-UHFFFAOYSA-N 0 0 285.128 3.035 10 30 CGEERN CC#CCNc1ccc(C)c(I)c1 ZINC000300933663 346439059 /nfs/dbraw/zinc/43/90/59/346439059.db2.gz IWYCMHDJXHMIMX-UHFFFAOYSA-N 0 0 285.128 3.035 10 30 CGEERN N#CC1([C@H](O)c2cscc2Br)CCC1 ZINC000306824981 346457876 /nfs/dbraw/zinc/45/78/76/346457876.db2.gz WAHHXBKBFVOOHK-SECBINFHSA-N 0 0 272.167 3.238 10 30 CGEERN N#Cc1ccc(N[C@@H]2CCC[C@H]3C[C@H]32)c([N+](=O)[O-])c1 ZINC000311915587 346475175 /nfs/dbraw/zinc/47/51/75/346475175.db2.gz ASLPEXIHKIOCGI-QJPTWQEYSA-N 0 0 257.293 3.067 10 30 CGEERN C#CC[C@H](NC(=O)OC(C)(C)C)c1cccs1 ZINC000409429457 346605450 /nfs/dbraw/zinc/60/54/50/346605450.db2.gz CLTUCIARMQGPRU-JTQLQIEISA-N 0 0 251.351 3.337 10 30 CGEERN N#CCc1ccnc(C(F)(F)F)c1C(F)(F)F ZINC000514261436 346635696 /nfs/dbraw/zinc/63/56/96/346635696.db2.gz STYKKVIJPARCFK-UHFFFAOYSA-N 0 0 254.133 3.185 10 30 CGEERN O/N=C1\c2ccccc2CCC[C@@H]1c1cccnc1 ZINC000584638278 346701594 /nfs/dbraw/zinc/70/15/94/346701594.db2.gz KPZLHOAEVLKHSI-FWWJWKNHSA-N 0 0 252.317 3.380 10 30 CGEERN CCO/C(C)=N/Oc1ccc(Br)cc1 ZINC000584660784 346705647 /nfs/dbraw/zinc/70/56/47/346705647.db2.gz PRRUDTUHHDTLLU-XYOKQWHBSA-N 0 0 258.115 3.198 10 30 CGEERN CCOC(=O)[C@](C#N)(CC)[C@@](C)(C#N)c1ccc(F)cc1 ZINC000584596989 346687646 /nfs/dbraw/zinc/68/76/46/346687646.db2.gz XJYKFZBFRJOYJM-JKSUJKDBSA-N 0 0 288.322 3.090 10 30 CGEERN C=CCOC(=O)c1ccc(Br)c(OCC=C)c1 ZINC000584598220 346688307 /nfs/dbraw/zinc/68/83/07/346688307.db2.gz IZTQVZPNOOKMEA-UHFFFAOYSA-N 0 0 297.148 3.357 10 30 CGEERN COc1ccc(C2CCC(=NOC(C)=O)CC2)cc1 ZINC000584601354 346689762 /nfs/dbraw/zinc/68/97/62/346689762.db2.gz HJNMRZUIJDJIKQ-UHFFFAOYSA-N 0 0 261.321 3.272 10 30 CGEERN C=C(C#Cc1ccc(Br)cc1)COC ZINC000584616259 346693930 /nfs/dbraw/zinc/69/39/30/346693930.db2.gz JFNZIKZMIGUMCA-UHFFFAOYSA-N 0 0 251.123 3.003 10 30 CGEERN Cc1noc(/N=C/c2cc(Cl)ccc2O)c1C ZINC000584621926 346695951 /nfs/dbraw/zinc/69/59/51/346695951.db2.gz YPCOYEZTLQPUGI-MKMNVTDBSA-N 0 0 250.685 3.401 10 30 CGEERN N#CCC1(CN2CCCC[C@H]2c2nccs2)CC1 ZINC000602768767 348025736 /nfs/dbraw/zinc/02/57/36/348025736.db2.gz ALQABJBCLUSQMQ-LBPRGKRZSA-N 0 0 261.394 3.364 10 30 CGEERN N#Cc1ccc(N[C@@H]2CCC[C@@H](O)C2)cc1C(F)(F)F ZINC000609448871 348344515 /nfs/dbraw/zinc/34/45/15/348344515.db2.gz KJVUSNJLODHSEV-ZYHUDNBSSA-N 0 0 284.281 3.292 10 30 CGEERN CCc1nn(Cc2ccc(C)cc2)c(Cl)c1C#N ZINC000104266909 185948760 /nfs/dbraw/zinc/94/87/60/185948760.db2.gz MHONIYGFUKXQRP-UHFFFAOYSA-N 0 0 259.740 3.327 10 30 CGEERN N#Cc1cnc2cc(Cl)c([N+](=O)[O-])cc2c1Cl ZINC000095937902 283241119 /nfs/dbraw/zinc/24/11/19/283241119.db2.gz YAIZQVOCMDSWBS-UHFFFAOYSA-N 0 0 268.059 3.321 10 30 CGEERN C=CCC(CC=C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000176895725 189013212 /nfs/dbraw/zinc/01/32/12/189013212.db2.gz OEIBLXIFWQOCQS-HNNXBMFYSA-N 0 0 271.360 3.395 10 30 CGEERN Cc1nnc(NCC2(c3ccccc3F)CC2)c(C#N)c1C ZINC000301252516 200953096 /nfs/dbraw/zinc/95/30/96/200953096.db2.gz CBFILGXUDWMDQG-UHFFFAOYSA-N 0 0 296.349 3.248 10 30 CGEERN CCN(CC)C(=O)c1ccc(Oc2cccc(C#N)n2)cc1 ZINC000301826694 201221271 /nfs/dbraw/zinc/22/12/71/201221271.db2.gz JGGGUADWXJVKHV-UHFFFAOYSA-N 0 0 295.342 3.228 10 30 CGEERN Cc1cc(N[C@H]2CC(C)(C)OC2(C)C)c(C#N)c(C)n1 ZINC000302076529 201333298 /nfs/dbraw/zinc/33/32/98/201333298.db2.gz WLAKAXQNULTNIH-AWEZNQCLSA-N 0 0 273.380 3.328 10 30 CGEERN Cc1ccc(Nc2ccc([N+](=O)[O-])c(C#N)n2)cc1C ZINC000302756749 201542431 /nfs/dbraw/zinc/54/24/31/201542431.db2.gz WZTDHBDTSMYSTK-UHFFFAOYSA-N 0 0 268.276 3.222 10 30 CGEERN CN(Cc1ccc(C#N)cc1)c1cc(F)ccc1[N+](=O)[O-] ZINC000302822528 201566016 /nfs/dbraw/zinc/56/60/16/201566016.db2.gz SKAHJLWGWBXMIH-UHFFFAOYSA-N 0 0 285.278 3.242 10 30 CGEERN C=C(C)CNC(=S)Nc1ccc(N(CC)CC)cc1 ZINC000000245134 368324790 /nfs/dbraw/zinc/32/47/90/368324790.db2.gz SSGOJRJQJDQNJF-UHFFFAOYSA-N 0 0 277.437 3.395 10 30 CGEERN C[C@H]([NH2+]CCc1cccs1)c1cc(C#N)ccc1[O-] ZINC000026668059 368862792 /nfs/dbraw/zinc/86/27/92/368862792.db2.gz QWDLNUVIGBIEMU-NSHDSACASA-N 0 0 272.373 3.219 10 30 CGEERN O=C1C=C[C@](O)(c2cc3ccccc3o2)c2ccccc21 ZINC000027626035 368872720 /nfs/dbraw/zinc/87/27/20/368872720.db2.gz BORZPXMIPREARG-GOSISDBHSA-N 0 0 276.291 3.421 10 30 CGEERN N#Cc1n[nH]nc1-c1ccc(Oc2ccccc2)cc1 ZINC000028876129 368889866 /nfs/dbraw/zinc/88/98/66/368889866.db2.gz LHOBXXROLCTUBM-UHFFFAOYSA-N 0 0 262.272 3.136 10 30 in-vivo CGEERN CCOc1ccc(C#N)cc1NC(=O)N[C@H](C)C(C)C ZINC000048955572 369376877 /nfs/dbraw/zinc/37/68/77/369376877.db2.gz CQKMJFXWEXWDAA-LLVKDONJSA-N 0 0 275.352 3.123 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)Nc1ccccc1Cl ZINC000061889420 369611243 /nfs/dbraw/zinc/61/12/43/369611243.db2.gz YQHVSKPLCFOOHC-KOLCDFICSA-N 0 0 263.728 3.154 10 30 CGEERN Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C#N)cc1Cl ZINC000063021703 369637354 /nfs/dbraw/zinc/63/73/54/369637354.db2.gz RGNGBVPCMJSLIX-DGCLKSJQSA-N 0 0 262.740 3.071 10 30 CGEERN CC(C)(C)[S@](=O)/N=C/c1ccc(F)c(Cl)c1 ZINC000098095560 370263661 /nfs/dbraw/zinc/26/36/61/370263661.db2.gz GUDLTDKMESOPIZ-SNQWNFELSA-N 0 0 261.749 3.360 10 30 CGEERN COC(=O)c1ccccc1/N=C/c1ccc(OC)cc1 ZINC000100061982 370271487 /nfs/dbraw/zinc/27/14/87/370271487.db2.gz VYSXJKIBCGUXTM-GZTJUZNOSA-N 0 0 269.300 3.232 10 30 CGEERN C[C@H]1CN(c2c(C#N)cnc3ccccc32)CCS1 ZINC000135241925 371404164 /nfs/dbraw/zinc/40/41/64/371404164.db2.gz GGVLDNLEHZMSLU-NSHDSACASA-N 0 0 269.373 3.048 10 30 CGEERN CCc1cnc([C@H](C)Nc2cccc(C#N)n2)s1 ZINC000134929156 371376337 /nfs/dbraw/zinc/37/63/37/371376337.db2.gz IFRMXNCWCONTRS-VIFPVBQESA-N 0 0 258.350 3.145 10 30 CGEERN CC[C@@](C)(C#N)C(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000136211916 371467244 /nfs/dbraw/zinc/46/72/44/371467244.db2.gz WSCKLIVLSOZOFM-HZMBPMFUSA-N 0 0 264.756 3.457 10 30 CGEERN CC[C@](C)(C#N)C(=O)N[C@H]1CCCc2ccccc21 ZINC000136236974 371469291 /nfs/dbraw/zinc/46/92/91/371469291.db2.gz BGNGEFRUMLQBHW-GOEBONIOSA-N 0 0 256.349 3.120 10 30 CGEERN C[C@@H](NC(=O)NCCCCC#N)c1ccc(F)c(F)c1 ZINC000171727029 372818322 /nfs/dbraw/zinc/81/83/22/372818322.db2.gz UQZBXXVEOKKCEG-SNVBAGLBSA-N 0 0 281.306 3.019 10 30 CGEERN N#Cc1ccc(NCC2(c3ccccc3F)CC2)nc1 ZINC000301283647 373729217 /nfs/dbraw/zinc/72/92/17/373729217.db2.gz PLMFWMWBXRBBIQ-UHFFFAOYSA-N 0 0 267.307 3.236 10 30 CGEERN Cc1ccc(N2CCC[C@H](c3nccs3)C2)nc1C#N ZINC000302591630 373902405 /nfs/dbraw/zinc/90/24/05/373902405.db2.gz AFTICQTZYLOFSF-LBPRGKRZSA-N 0 0 284.388 3.102 10 30 CGEERN CC(C)[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(C#N)n2)C1 ZINC000302743105 373949103 /nfs/dbraw/zinc/94/91/03/373949103.db2.gz RXSIHRZYQXVDSL-NEPJUHHUSA-N 0 0 288.351 3.488 10 30 CGEERN Cc1cc(C)cc(Nc2ccc([N+](=O)[O-])c(C#N)n2)c1 ZINC000302762403 373954816 /nfs/dbraw/zinc/95/48/16/373954816.db2.gz YOCGSKHQEMFZML-UHFFFAOYSA-N 0 0 268.276 3.222 10 30 CGEERN C[C@H](N(C)C(=O)N[C@H]1CCC(=O)NC12CCC2)C1(C)CC1 ZINC000328693298 374377789 /nfs/dbraw/zinc/37/77/89/374377789.db2.gz JNPPXKQTRQUDBY-RYUDHWBXSA-N 0 0 293.411 3.062 10 30 CGEERN Cc1nc([C@@H]2CCCOC2)sc1C(=O)N[C@@H]1C[C@@H]1C ZINC000328797284 374384490 /nfs/dbraw/zinc/38/44/90/374384490.db2.gz FABRONDPHKWLDK-JMJZKYOTSA-N 0 0 280.393 3.059 10 30 CGEERN O=C(Nc1ccc2c(c1)NC(=O)CC2)N1C[C@H]2CCC[C@@H]21 ZINC000329936780 374442002 /nfs/dbraw/zinc/44/20/02/374442002.db2.gz RTCPFTMPNWNSFF-RISCZKNCSA-N 0 0 285.347 3.251 10 30 CGEERN Cc1nc(-c2cccc(NC(=O)N3C[C@H]4CCC[C@H]43)c2)no1 ZINC000329927856 374442881 /nfs/dbraw/zinc/44/28/81/374442881.db2.gz LYLVXCIFZDSDBW-TZMCWYRMSA-N 0 0 298.346 3.075 10 30 CGEERN CCn1ncc2ccc(NC(=O)N3C[C@H]4CCC[C@@H]43)cc21 ZINC000329927033 374442889 /nfs/dbraw/zinc/44/28/89/374442889.db2.gz LEXIYCMFGJZPRT-OCCSQVGLSA-N 0 0 284.363 3.086 10 30 CGEERN Cc1nc2ccc(NC(=O)N3C[C@H]4CCC[C@@H]43)cc2o1 ZINC000329945681 374445663 /nfs/dbraw/zinc/44/56/63/374445663.db2.gz FXSQNTLLSXDBGS-MFKMUULPSA-N 0 0 271.320 3.166 10 30 CGEERN C[C@H](Nc1cnn(-c2ncccc2C#N)c1)c1ccsc1 ZINC000186023659 374786660 /nfs/dbraw/zinc/78/66/60/374786660.db2.gz IKHQVFAGQVYAJI-NSHDSACASA-N 0 0 295.371 3.374 10 30 CGEERN Cc1nc([C@@H]2CCCN2C(=O)c2cccc(C#N)c2)cs1 ZINC000187080220 374968087 /nfs/dbraw/zinc/96/80/87/374968087.db2.gz PIGVHWWQZYBTJQ-HNNXBMFYSA-N 0 0 297.383 3.301 10 30 CGEERN C=C[C@](C)(CCOC)C(=O)N[C@@H](C)c1ccccc1C ZINC000187978513 375130508 /nfs/dbraw/zinc/13/05/08/375130508.db2.gz KRHQZJBYJXRJGJ-WMLDXEAASA-N 0 0 275.392 3.401 10 30 CGEERN C=C1COc2ccccc2[C@H]1NOCc1ccccc1 ZINC000211675172 376134364 /nfs/dbraw/zinc/13/43/64/376134364.db2.gz NWKUTNAIHSHYPR-KRWDZBQOSA-N 0 0 267.328 3.398 10 30 CGEERN COC(=O)c1cc(C#N)c(F)c(SC(F)(F)F)c1 ZINC000575390681 377899448 /nfs/dbraw/zinc/89/94/48/377899448.db2.gz PKUNKBLYAUJAMT-UHFFFAOYSA-N 0 0 279.214 3.096 10 30 CGEERN COC(=O)Cc1c(F)ccc(C#N)c1SC(F)(F)F ZINC000575390651 377898079 /nfs/dbraw/zinc/89/80/79/377898079.db2.gz LGFABXOAQQQCET-UHFFFAOYSA-N 0 0 293.241 3.025 10 30 CGEERN CCOC(=O)c1ccc(C#N)c(CC)c1C(F)(F)F ZINC000575389882 377898239 /nfs/dbraw/zinc/89/82/39/377898239.db2.gz UBNOVKGZTURYTL-UHFFFAOYSA-N 0 0 271.238 3.316 10 30 CGEERN COC(=O)c1cc(C#N)cc(C(F)F)c1OC(F)(F)F ZINC000575344057 377883681 /nfs/dbraw/zinc/88/36/81/377883681.db2.gz NRJAGBMMVFJGHU-UHFFFAOYSA-N 0 0 295.163 3.181 10 30 CGEERN COC(=O)c1c(C#N)cc(C(F)F)cc1C(F)(F)F ZINC000575343696 377883837 /nfs/dbraw/zinc/88/38/37/377883837.db2.gz BSKYJSKIYFXVPY-UHFFFAOYSA-N 0 0 279.164 3.301 10 30 CGEERN CCOC(=O)Cc1cc(C#N)cc(C(F)(F)F)c1CC ZINC000575389852 377898978 /nfs/dbraw/zinc/89/89/78/377898978.db2.gz SFWKWLAHYHGLFM-UHFFFAOYSA-N 0 0 285.265 3.245 10 30 CGEERN COC(=O)c1c(C#N)ccc(C(F)(F)F)c1Cl ZINC000575383053 377893786 /nfs/dbraw/zinc/89/37/86/377893786.db2.gz CXPIWWCKMXGEDR-UHFFFAOYSA-N 0 0 263.602 3.017 10 30 CGEERN CCOC(=O)c1c(C#N)c(OC(F)F)ccc1C(F)F ZINC000575385441 377894937 /nfs/dbraw/zinc/89/49/37/377894937.db2.gz QWNPCESEKFKVPS-UHFFFAOYSA-N 0 0 291.200 3.274 10 30 CGEERN CCOC(=O)c1cc(OC(F)F)c(C#N)c(C(F)F)c1 ZINC000575385549 377895207 /nfs/dbraw/zinc/89/52/07/377895207.db2.gz ZOHXIROBQHONBC-UHFFFAOYSA-N 0 0 291.200 3.274 10 30 CGEERN COC(=O)Cc1c(C#N)cc(F)cc1SC(F)(F)F ZINC000575390682 377899685 /nfs/dbraw/zinc/89/96/85/377899685.db2.gz POVLHMXPLQBYNU-UHFFFAOYSA-N 0 0 293.241 3.025 10 30 CGEERN C[C@@H]1CCC[C@@](C#N)(NC(=O)OC(C)(C)C)[C@@H]1C ZINC000575497279 377916149 /nfs/dbraw/zinc/91/61/49/377916149.db2.gz UAHCDVCPTUIVLE-GYSYKLTISA-N 0 0 252.358 3.230 10 30 CGEERN CCOc1cc(CC#N)cc(OC(F)F)c1OCC ZINC000575647839 377927489 /nfs/dbraw/zinc/92/74/89/377927489.db2.gz IHCGRKFYOFGHOU-UHFFFAOYSA-N 0 0 271.263 3.151 10 30 CGEERN N#CCc1cc([N+](=O)[O-])c(C(F)F)cc1OC(F)F ZINC000575652434 377929406 /nfs/dbraw/zinc/92/94/06/377929406.db2.gz GCKLHMWFMFWHLZ-UHFFFAOYSA-N 0 0 278.161 3.200 10 30 CGEERN CCc1cc(I)c(C#N)cc1CC ZINC000575652046 377929493 /nfs/dbraw/zinc/92/94/93/377929493.db2.gz JLWKRRBSSXMJPN-UHFFFAOYSA-N 0 0 285.128 3.288 10 30 CGEERN N#CCc1cc([N+](=O)[O-])cc(OC(F)F)c1C(F)F ZINC000575653008 377930606 /nfs/dbraw/zinc/93/06/06/377930606.db2.gz QAWQYHCKLCKFRP-UHFFFAOYSA-N 0 0 278.161 3.200 10 30 CGEERN N#CCc1cc(O)cc(C(F)(F)F)c1OC(F)F ZINC000575661541 377938320 /nfs/dbraw/zinc/93/83/20/377938320.db2.gz IJBIVZQPOSJOFA-UHFFFAOYSA-N 0 0 267.153 3.078 10 30 CGEERN COC(=O)c1c(C#N)cc(C)cc1SC(F)(F)F ZINC000575394700 377902543 /nfs/dbraw/zinc/90/25/43/377902543.db2.gz LTMOMYMQMPBHDG-UHFFFAOYSA-N 0 0 275.251 3.265 10 30 CGEERN Nc1c(F)cc(OC(F)(F)F)cc1C(F)(F)F ZINC000575397301 377903596 /nfs/dbraw/zinc/90/35/96/377903596.db2.gz CIQAEEQMSKXKPV-UHFFFAOYSA-N 0 0 263.112 3.325 10 30 CGEERN COC(=O)Cc1cc(SC(F)(F)F)cc(C#N)c1C ZINC000575395456 377903665 /nfs/dbraw/zinc/90/36/65/377903665.db2.gz DAIMBGDEASHFSU-UHFFFAOYSA-N 0 0 289.278 3.194 10 30 CGEERN Nc1c(F)ccc(OC(F)(F)F)c1C(F)(F)F ZINC000575397363 377904835 /nfs/dbraw/zinc/90/48/35/377904835.db2.gz OYUCMAXJJDIRTR-UHFFFAOYSA-N 0 0 263.112 3.325 10 30 CGEERN N#CCc1cc(C(F)F)cc(Br)c1[N+](=O)[O-] ZINC000575683630 377957736 /nfs/dbraw/zinc/95/77/36/377957736.db2.gz ANSQPFFGKQGQFH-UHFFFAOYSA-N 0 0 291.051 3.361 10 30 CGEERN N#CCc1cc(C(F)F)cc(O)c1Br ZINC000575683333 377958356 /nfs/dbraw/zinc/95/83/56/377958356.db2.gz AIZNXLQDPLKBLV-UHFFFAOYSA-N 0 0 262.053 3.158 10 30 CGEERN N#Cc1cc(OC(F)(F)F)c(F)cc1Br ZINC000575689422 377963958 /nfs/dbraw/zinc/96/39/58/377963958.db2.gz KCQBKYWMWUPPMW-UHFFFAOYSA-N 0 0 284.006 3.358 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NCc1c(F)cccc1Br ZINC000347697308 378725266 /nfs/dbraw/zinc/72/52/66/378725266.db2.gz COABHIRUEWFDRJ-ZANVPECISA-N 0 0 297.171 3.370 10 30 CGEERN C[C@@H]1CCc2sc(C(=O)N[C@H]3CCC[C@H]3C#N)cc2C1 ZINC000408333869 380005397 /nfs/dbraw/zinc/00/53/97/380005397.db2.gz JEFUDJXWIOUYOM-MDZLAQPJSA-N 0 0 288.416 3.295 10 30 CGEERN COc1ccccc1[C@@H](C)Nc1ccc(C#N)nc1 ZINC000354049841 380300395 /nfs/dbraw/zinc/30/03/95/380300395.db2.gz RJOVKLAFQCVURV-LLVKDONJSA-N 0 0 253.305 3.135 10 30 CGEERN C[C@H](NC(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)[C@@H]1CCCO1 ZINC000328656147 542444443 /nfs/dbraw/zinc/44/44/43/542444443.db2.gz NNFIIZDHYVPDOA-RBZJEDDUSA-N 0 0 294.439 3.416 10 30 CGEERN Cc1cnc([C@@H](C)NC(=O)c2ccc3c(c2)COC3)o1 ZINC000329427248 542446634 /nfs/dbraw/zinc/44/66/34/542446634.db2.gz JBXSQHLUCQBBBF-SNVBAGLBSA-N 0 0 272.304 3.079 10 30 CGEERN Cc1nc2c(cccc2C(=O)N[C@@H]2CCC[C@H]2C#N)o1 ZINC000329930999 542449274 /nfs/dbraw/zinc/44/92/74/542449274.db2.gz BALOJLDIBRBZDZ-CMPLNLGQSA-N 0 0 269.304 3.133 10 30 CGEERN CCC[C@H]1C[C@@H]1Nc1ncc(Br)cc1C#N ZINC000390640646 262233566 /nfs/dbraw/zinc/23/35/66/262233566.db2.gz MVJIRRWMPINDCN-KWQFWETISA-N 0 0 280.169 3.316 10 30 CGEERN CC(C)(C)OC(=O)N1CCC[C@H](CCCS)C1 ZINC000095085112 184939442 /nfs/dbraw/zinc/93/94/42/184939442.db2.gz BSNDMUDBGHILAY-LLVKDONJSA-N 0 0 259.415 3.344 10 30 CGEERN COc1cc(/C=C\C(=O)c2ccccc2)cc2c1OCO2 ZINC000096503734 533480960 /nfs/dbraw/zinc/48/09/60/533480960.db2.gz LRIAHNHTCDTBLO-FPLPWBNLSA-N 0 0 282.295 3.320 10 30 CGEERN C[C@@H]1CN(c2cc(C#N)c3ccccc3n2)CCS1 ZINC000122809642 392422899 /nfs/dbraw/zinc/42/28/99/392422899.db2.gz DBZLESMOUIMACG-LLVKDONJSA-N 0 0 269.373 3.048 10 30 CGEERN C=CCCCN(C)C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000135076389 392471220 /nfs/dbraw/zinc/47/12/20/392471220.db2.gz KLHIZRPKVCJJFB-QWHCGFSZSA-N 0 0 279.330 3.493 10 30 CGEERN N#Cc1cnc(N[C@@H]2COc3ccccc32)c(Cl)c1 ZINC000171069228 392613691 /nfs/dbraw/zinc/61/36/91/392613691.db2.gz GHVQABXKMMYLBR-GFCCVEGCSA-N 0 0 271.707 3.152 10 30 CGEERN C[C@H](CC1CC1)NC(=O)N1CCCC[C@H]1c1ccnn1C ZINC000329461229 392681956 /nfs/dbraw/zinc/68/19/56/392681956.db2.gz PPJJQJNQZKYBDK-DOMZBBRYSA-N 0 0 290.411 3.050 10 30 CGEERN CC(C)c1ccc([C@@H](C)NC(=O)NC[C@H](C)C#N)cc1 ZINC000182345889 392744794 /nfs/dbraw/zinc/74/47/94/392744794.db2.gz GAMYOIVTIHANEB-CHWSQXEVSA-N 0 0 273.380 3.330 10 30 CGEERN C[C@]1(C(=O)N[C@@H]2CCC[C@@H]2C#N)CCCc2ccccc21 ZINC000408329297 392971971 /nfs/dbraw/zinc/97/19/71/392971971.db2.gz IVCZBWUTBRHLJU-KYJSFNMBSA-N 0 0 282.387 3.089 10 30 CGEERN C[C@H](CC(=O)N[C@@H]1CCC[C@H]1C#N)C1CCCCC1 ZINC000408327550 392972241 /nfs/dbraw/zinc/97/22/41/392972241.db2.gz BYCZVKPNADDMCZ-VHDGCEQUSA-N 0 0 262.397 3.401 10 30 CGEERN Cc1ccccc1[C@@H](C)NC(=O)NCC#Cc1ccccc1 ZINC000045611406 397625666 /nfs/dbraw/zinc/62/56/66/397625666.db2.gz UBSLIYZUKIHVLA-MRXNPFEDSA-N 0 0 292.382 3.407 10 30 CGEERN Cc1ccccc1[C@H](C)NC(=O)NCC#Cc1ccccc1 ZINC000045611408 397625869 /nfs/dbraw/zinc/62/58/69/397625869.db2.gz UBSLIYZUKIHVLA-INIZCTEOSA-N 0 0 292.382 3.407 10 30 CGEERN CCN(C(=O)[C@H](C)Oc1ccccc1C#N)c1ccccc1 ZINC000003556562 169896720 /nfs/dbraw/zinc/89/67/20/169896720.db2.gz UPYHOBGJUQGGBZ-AWEZNQCLSA-N 0 0 294.354 3.379 10 30 CGEERN C/C(=C/C(=O)c1ccc(Br)s1)N(C)C ZINC000005827761 170144509 /nfs/dbraw/zinc/14/45/09/170144509.db2.gz YTKMBZKBIHKTBL-SREVYHEPSA-N 0 0 274.183 3.159 10 30 CGEERN C=CCOc1ccc(NC(=S)NC(=O)CC(C)C)cc1 ZINC000007444967 170285183 /nfs/dbraw/zinc/28/51/83/170285183.db2.gz VHLGLXDXQCXUOX-UHFFFAOYSA-N 0 0 292.404 3.111 10 30 CGEERN C=CCNC(=O)c1sc(-c2ccsc2)nc1C ZINC000007949504 170309192 /nfs/dbraw/zinc/30/91/92/170309192.db2.gz NPHGLVITRQZDHS-UHFFFAOYSA-N 0 0 264.375 3.096 10 30 CGEERN COc1ccc(OC)c(-c2ccc(C#N)c(Cl)n2)c1 ZINC000011919496 170458573 /nfs/dbraw/zinc/45/85/73/170458573.db2.gz HMYSBZKGZSLEBN-UHFFFAOYSA-N 0 0 274.707 3.291 10 30 CGEERN C#CCCCCCCCCCCCC(=O)C[C@H](O)CO ZINC000013327075 170545095 /nfs/dbraw/zinc/54/50/95/170545095.db2.gz IVYOGHWZHNJSHE-KRWDZBQOSA-N 0 0 282.424 3.223 10 30 biogenic CGEERN N#Cc1ccc(Nc2ccccc2Br)nc1 ZINC000019504793 170817362 /nfs/dbraw/zinc/81/73/62/170817362.db2.gz JLPBWDCMXXRPCC-UHFFFAOYSA-N 0 0 274.121 3.459 10 30 CGEERN CC1CCC(OCCC(=O)Nc2ccccc2C#N)CC1 ZINC000019847312 170896624 /nfs/dbraw/zinc/89/66/24/170896624.db2.gz CJUBUMOGXJOPMA-UHFFFAOYSA-N 0 0 286.375 3.482 10 30 CGEERN N/C(=N\O)c1ccc(Sc2nc3ccccc3o2)cc1 ZINC000019866474 170899389 /nfs/dbraw/zinc/89/93/89/170899389.db2.gz LRSFFAAKBKMDEM-UHFFFAOYSA-N 0 0 285.328 3.074 10 30 CGEERN COc1ccc([C@@H](C#N)NCc2ccccc2)cc1OC ZINC000020175514 171041850 /nfs/dbraw/zinc/04/18/50/171041850.db2.gz JTDGFOBIKYBNBM-OAHLLOKOSA-N 0 0 282.343 3.058 10 30 CGEERN N#Cc1ccccc1Oc1ccc([N+](=O)[O-])cc1C=O ZINC000020307002 171143041 /nfs/dbraw/zinc/14/30/41/171143041.db2.gz JDUDPQNMHLJDJD-UHFFFAOYSA-N 0 0 268.228 3.071 10 30 CGEERN CC(C)CSCCC(=O)Nc1ccc(C#N)cc1 ZINC000020368536 171166803 /nfs/dbraw/zinc/16/68/03/171166803.db2.gz UIGHCRKKFVLSJX-UHFFFAOYSA-N 0 0 262.378 3.276 10 30 CGEERN CCCN[C@H](C#N)c1ccc2cc(OC)ccc2c1 ZINC000020380432 171172346 /nfs/dbraw/zinc/17/23/46/171172346.db2.gz ZIQMRLCDDLIZEQ-MRXNPFEDSA-N 0 0 254.333 3.413 10 30 CGEERN N#Cc1ccc(C(=O)Nc2ccc(Cl)cc2N)cc1 ZINC000022169331 171367311 /nfs/dbraw/zinc/36/73/11/171367311.db2.gz WHFJHDUGLRJIMG-UHFFFAOYSA-N 0 0 271.707 3.046 10 30 CGEERN CN(C)/C=C\C(=O)/C=C/c1c(F)cccc1Cl ZINC000032252426 171722103 /nfs/dbraw/zinc/72/21/03/171722103.db2.gz IBHIVQJKOJIYEH-MUIOLIGRSA-N 0 0 253.704 3.137 10 30 CGEERN COc1ccc(/C=N\NC(=S)Nc2ccc(C)cc2)cc1 ZINC000033302118 171780091 /nfs/dbraw/zinc/78/00/91/171780091.db2.gz CIZRMYQWWMLRNX-BOPFTXTBSA-N 0 0 299.399 3.324 10 30 CGEERN CC(N=Nc1ccccc1[N+](=O)[O-])c1cccc(N)c1 ZINC000035343071 172135269 /nfs/dbraw/zinc/13/52/69/172135269.db2.gz VTQGHCYAHADMSQ-YBEGLDIGSA-N 0 0 270.292 3.013 10 30 CGEERN Cc1ccc(OCc2cccc(C#N)c2)c([C@@H](C)O)c1 ZINC000035630282 172311260 /nfs/dbraw/zinc/31/12/60/172311260.db2.gz NRGOUCGIWQBTOE-CYBMUJFWSA-N 0 0 267.328 3.499 10 30 CGEERN C#Cc1cccc(NCc2ccc3c(c2)OCO3)c1 ZINC000037325569 173125635 /nfs/dbraw/zinc/12/56/35/173125635.db2.gz GZLMLUMTUJDARH-UHFFFAOYSA-N 0 0 251.285 3.009 10 30 CGEERN CC(C)c1ccc([C@@H](C#N)C(=O)[C@@H]2CCCO2)cc1 ZINC000037347947 173143951 /nfs/dbraw/zinc/14/39/51/173143951.db2.gz XDYRQZAQSKNUAU-CABCVRRESA-N 0 0 257.333 3.165 10 30 CGEERN N#CCCNC1c2ccccc2Oc2ccccc21 ZINC000037376481 173165008 /nfs/dbraw/zinc/16/50/08/173165008.db2.gz IHHHIYALRPGVBT-UHFFFAOYSA-N 0 0 250.301 3.385 10 30 CGEERN CCC(C#N)(CC)S(=O)(=O)c1ccc(C)cc1C ZINC000037934636 173875223 /nfs/dbraw/zinc/87/52/23/173875223.db2.gz QCRXYHPYWCZBCS-UHFFFAOYSA-N 0 0 265.378 3.160 10 30 CGEERN COc1ccccc1N[C@@H](C#N)c1cccc(O)c1 ZINC000037938720 173878259 /nfs/dbraw/zinc/87/82/59/173878259.db2.gz RBRUXNWORJIXMG-AWEZNQCLSA-N 0 0 254.289 3.078 10 30 CGEERN COc1ccc([C@@H](C#N)N2CCCC2)cc1Br ZINC000038052565 174064101 /nfs/dbraw/zinc/06/41/01/174064101.db2.gz BIEBQWBCTSFIMF-GFCCVEGCSA-N 0 0 295.180 3.118 10 30 CGEERN Cc1ccc(C(C)C)cc1Oc1cc(/C(N)=N/O)ccn1 ZINC000038053047 174064805 /nfs/dbraw/zinc/06/48/05/174064805.db2.gz WQDGIRJZIWOFMP-UHFFFAOYSA-N 0 0 285.347 3.400 10 30 CGEERN OCCC#Cc1c(OC(F)F)ccc2ccccc21 ZINC000038077824 174088036 /nfs/dbraw/zinc/08/80/36/174088036.db2.gz HKHVJADTQRKONV-UHFFFAOYSA-N 0 0 262.255 3.175 10 30 CGEERN N#C[C@@H](c1ccc2c(c1)CCO2)N1CCCCCC1 ZINC000038086292 174097376 /nfs/dbraw/zinc/09/73/76/174097376.db2.gz KAPSFYZJCZGBEI-HNNXBMFYSA-N 0 0 256.349 3.062 10 30 CGEERN N#C[C@@H](NC(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000040215146 174204575 /nfs/dbraw/zinc/20/45/75/174204575.db2.gz ZFUMUQULICHQRL-CQSZACIVSA-N 0 0 270.719 3.335 10 30 CGEERN CN(C(=O)c1ccccc1F)C1(C#N)CCCCC1 ZINC000040418632 174256325 /nfs/dbraw/zinc/25/63/25/174256325.db2.gz OXVLLGABKIDWAR-UHFFFAOYSA-N 0 0 260.312 3.124 10 30 CGEERN COc1ccc([C@@H](C)Nc2ccc(C#N)cn2)cc1OC ZINC000040444508 174264199 /nfs/dbraw/zinc/26/41/99/174264199.db2.gz YGOSUAVZFAQJIF-LLVKDONJSA-N 0 0 283.331 3.144 10 30 CGEERN CCN(C[C@@H](C)C#N)c1cc2nc(C)sc2cc1N ZINC000042448080 174742038 /nfs/dbraw/zinc/74/20/38/174742038.db2.gz ZEYMGZQRJDRXCT-VIFPVBQESA-N 0 0 274.393 3.173 10 30 CGEERN N#CC1(C(=O)N(Cc2ccsc2)C2CC2)CCCC1 ZINC000044766276 175249402 /nfs/dbraw/zinc/24/94/02/175249402.db2.gz ZOXDWBRCZOQXQA-UHFFFAOYSA-N 0 0 274.389 3.323 10 30 CGEERN O=C1C=C(c2cc(Br)ccc2F)CC1 ZINC000077609602 177286035 /nfs/dbraw/zinc/28/60/35/177286035.db2.gz SVGXXNKMLVTKGV-UHFFFAOYSA-N 0 0 255.086 3.335 10 30 CGEERN Cn1cc(C(F)F)c(-c2ccc(F)cc2C#N)n1 ZINC000725269597 544114921 /nfs/dbraw/zinc/11/49/21/544114921.db2.gz AVZBCDUFVSGYRP-UHFFFAOYSA-N 0 0 251.211 3.035 10 30 CGEERN Cc1ccc2c(c1)CC[C@H](C(=O)N[C@@H]1CCC[C@@H]1C#N)O2 ZINC000330010914 228016235 /nfs/dbraw/zinc/01/62/35/228016235.db2.gz IKVHCGMZFQRLDV-IIAWOOMASA-N 0 0 284.359 3.337 10 30 CGEERN C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1nc2cccnc2[nH]1 ZINC000330039267 228024157 /nfs/dbraw/zinc/02/41/57/228024157.db2.gz FGVIXOJCTAKSNY-PWSUYJOCSA-N 0 0 288.351 3.141 10 30 CGEERN O=C(NC[C@H]1CCCC1=O)[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000330094949 228038004 /nfs/dbraw/zinc/03/80/04/228038004.db2.gz UPFJYIZUGQAFCO-UVBSCNOISA-N 0 0 299.370 3.053 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NCc1ncc(-c2cccs2)o1 ZINC000333146967 228189504 /nfs/dbraw/zinc/18/95/04/228189504.db2.gz BGKXMGJRTQUCPT-QWRGUYRKSA-N 0 0 273.361 3.185 10 30 CGEERN N#C[C@@]1(c2nc(C3CCCC3)no2)CC12CCCC2 ZINC000333804218 228215070 /nfs/dbraw/zinc/21/50/70/228215070.db2.gz GSXFCQXCJLXCGA-OAHLLOKOSA-N 0 0 257.337 3.453 10 30 CGEERN COc1ccc(CN[C@@H]2CCC[C@@H]2C#N)c(Cl)c1OC ZINC000110823276 261471327 /nfs/dbraw/zinc/47/13/27/261471327.db2.gz ZSBJIACNFHMPOS-ZYHUDNBSSA-N 0 0 294.782 3.139 10 30 CGEERN C[C@@H](NCCC#N)c1cccc(Br)c1 ZINC000020199515 262232613 /nfs/dbraw/zinc/23/26/13/262232613.db2.gz GSINVMYQTBUBBD-SECBINFHSA-N 0 0 253.143 3.013 10 30 CGEERN C=C(Br)C[NH2+][C@@H](C)[C@H]1COc2ccccc21 ZINC000185603186 262306668 /nfs/dbraw/zinc/30/66/68/262306668.db2.gz DFBWWDPFVRLOSR-CMPLNLGQSA-N 0 0 282.181 3.049 10 30 CGEERN Cc1cccc(C(=O)N[C@H]2CCC[C@@H]2C#N)c1Cl ZINC000162884941 262380832 /nfs/dbraw/zinc/38/08/32/262380832.db2.gz ZNUTWGYBAYLILC-PWSUYJOCSA-N 0 0 262.740 3.071 10 30 CGEERN CC(C)(C)c1nc(CN[C@H]2CCC[C@@H]2C#N)cs1 ZINC000164288720 263270879 /nfs/dbraw/zinc/27/08/79/263270879.db2.gz UPRNPNHRWJRSFL-PWSUYJOCSA-N 0 0 263.410 3.222 10 30 CGEERN C[C@@H]1CC[C@H](C)N(C(=O)N[C@@H]2CCC(=O)NC23CCC3)C1 ZINC000328712267 263848671 /nfs/dbraw/zinc/84/86/71/263848671.db2.gz BMOZCDJSYNXXEP-FRRDWIJNSA-N 0 0 293.411 3.062 10 30 CGEERN C[C@H](NC(=O)c1coc(C2CCCC2)n1)[C@@H]1CCCO1 ZINC000328787883 263871618 /nfs/dbraw/zinc/87/16/18/263871618.db2.gz JSYKAOCNXUGXDY-GWCFXTLKSA-N 0 0 278.352 3.204 10 30 CGEERN CC(C)(C)[C@@H]1C[C@H](NC(=O)[C@@H]2CCCC(=O)N2)CCO1 ZINC000328893792 263889500 /nfs/dbraw/zinc/88/95/00/263889500.db2.gz ALBZGGVEFIAUJF-WOPDTQHZSA-N 0 0 282.384 3.046 10 30 CGEERN C=CCCS(=O)(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000129551960 264323180 /nfs/dbraw/zinc/32/31/80/264323180.db2.gz VFWGIMMPFUABGN-CYBMUJFWSA-N 0 0 289.400 3.396 10 30 CGEERN CC(C)CC1(C(=O)N[C@@H]2CCC[C@@H]2C#N)CCCC1 ZINC000094817890 265257774 /nfs/dbraw/zinc/25/77/74/265257774.db2.gz BVGOMWZWPRYKKH-ZIAGYGMSSA-N 0 0 262.397 3.401 10 30 CGEERN C(=NNc1nc2ccccc2s1)c1ccncc1 ZINC000031343205 275389340 /nfs/dbraw/zinc/38/93/40/275389340.db2.gz JLIFGFRXBLCQSK-DHDCSXOGSA-N 0 0 254.318 3.137 10 30 CGEERN C=C[C@](C)(CCOC)C(=O)N[C@H]1CCCc2ccccc21 ZINC000187797284 276925884 /nfs/dbraw/zinc/92/58/84/276925884.db2.gz LSIQAMPJHUGQDS-FUHWJXTLSA-N 0 0 287.403 3.409 10 30 CGEERN CC(=O)Nc1ccc(/C=N/N2[C@H](C)CCC[C@H]2C)cc1 ZINC000005504676 277065518 /nfs/dbraw/zinc/06/55/18/277065518.db2.gz ANKWRWPTZIYQHN-MDDWGPDPSA-N 0 0 273.380 3.242 10 30 CGEERN CS[C@@H]1CCCCN(c2cc(C)nc(C)c2C#N)C1 ZINC000160887106 278143630 /nfs/dbraw/zinc/14/36/30/278143630.db2.gz DDVYHAAQNDPHBZ-CYBMUJFWSA-N 0 0 275.421 3.292 10 30 CGEERN CC1(C)CN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)[C@@H]2CCC[C@H]21 ZINC000333186950 278307994 /nfs/dbraw/zinc/30/79/94/278307994.db2.gz NBTBIYKEHJVVMY-BYNSBNAKSA-N 0 0 289.423 3.289 10 30 CGEERN C[C@H]1CCC[C@H](C)N1/N=C/c1ccc([N+](=O)[O-])cc1 ZINC000003245733 278351250 /nfs/dbraw/zinc/35/12/50/278351250.db2.gz YGICDMFMXUOUDB-ZQVVPALOSA-N 0 0 261.325 3.192 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1ccc2c(c1)CCCCC2=O ZINC000329601172 294821375 /nfs/dbraw/zinc/82/13/75/294821375.db2.gz XLXAOFLLRAGMFD-GOEBONIOSA-N 0 0 296.370 3.018 10 30 CGEERN N#Cc1ccc(C(F)(F)F)nc1N[C@H]1CCCCC[C@H]1O ZINC000135806855 294908761 /nfs/dbraw/zinc/90/87/61/294908761.db2.gz XYKCHHKKYXLDFN-WDEREUQCSA-N 0 0 299.296 3.078 10 30 CGEERN N#C[C@H]1CCC[C@H]1NCc1cccc(Br)c1F ZINC000394748625 327959034 /nfs/dbraw/zinc/95/90/34/327959034.db2.gz ZLEDPRFNOBWQLA-BXKDBHETSA-N 0 0 297.171 3.370 10 30 CGEERN CC(C)[C@H](C)CC(=O)N[C@@H](C#N)C1CCCCC1 ZINC000176576031 329176897 /nfs/dbraw/zinc/17/68/97/329176897.db2.gz NTQBYWVCDUYMPB-OCCSQVGLSA-N 0 0 250.386 3.257 10 30 CGEERN C=CCOCCCC(=O)N[C@H]1c2cc(C)ccc2C[C@H]1C ZINC000182222998 329241080 /nfs/dbraw/zinc/24/10/80/329241080.db2.gz QHUWWEULNHDIKR-RDTXWAMCSA-N 0 0 287.403 3.327 10 30 CGEERN C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1C[C@@H]1C ZINC000247184863 329877430 /nfs/dbraw/zinc/87/74/30/329877430.db2.gz PRSCNAZSPRHBES-MDZLAQPJSA-N 0 0 289.404 3.468 10 30 CGEERN C[C@@H](C#N)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000249514934 329907357 /nfs/dbraw/zinc/90/73/57/329907357.db2.gz BLQVEZBFIWJEHQ-JQWIXIFHSA-N 0 0 257.362 3.345 10 30 CGEERN CN(CCC#N)Cc1ncc(-c2ccccc2Cl)o1 ZINC000083218346 330356813 /nfs/dbraw/zinc/35/68/13/330356813.db2.gz WJLQTBTUXIMFKE-UHFFFAOYSA-N 0 0 275.739 3.340 10 30 CGEERN C=C(C)C[C@H](C)C(=O)N[C@@H](C)COCc1ccccc1 ZINC000185700749 333146901 /nfs/dbraw/zinc/14/69/01/333146901.db2.gz PSWFPQRZHZNIEL-GJZGRUSLSA-N 0 0 275.392 3.310 10 30 CGEERN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccnc(C#N)c1 ZINC000192559646 335278409 /nfs/dbraw/zinc/27/84/09/335278409.db2.gz GKFKSSMLRDLZRL-NSHDSACASA-N 0 0 299.761 3.440 10 30 CGEERN CC(C)[C@H](C)Nc1ncc(Br)cc1C#N ZINC000309030856 519813309 /nfs/dbraw/zinc/81/33/09/519813309.db2.gz BMXFAEZHQOTFSI-QMMMGPOBSA-N 0 0 268.158 3.172 10 30 CGEERN C[C@@H]1OCC[C@@H]1NC(=O)CCc1ccc2[nH]ccc2c1 ZINC000329184571 534167582 /nfs/dbraw/zinc/16/75/82/534167582.db2.gz FYINRFQKTICRSF-FZMZJTMJSA-N 0 0 272.348 3.234 10 30 CGEERN CCN[C@@H](C#N)CCOc1cc(C)ccc1C(C)C ZINC000062445983 520058916 /nfs/dbraw/zinc/05/89/16/520058916.db2.gz CNGAQLQBKFKBSH-CQSZACIVSA-N 0 0 260.381 3.389 10 30 CGEERN CCOc1cccc(CN[C@@H]2CCCC[C@H]2C#N)c1 ZINC000054825527 521370985 /nfs/dbraw/zinc/37/09/85/521370985.db2.gz CMOKZTWOOOJZKA-GOEBONIOSA-N 0 0 258.365 3.257 10 30 CGEERN CCN(c1ccc(C#N)cc1Cl)[C@@H](C)COC ZINC000062793805 521480694 /nfs/dbraw/zinc/48/06/94/521480694.db2.gz XPBYFTOENMSRIO-JTQLQIEISA-N 0 0 252.745 3.073 10 30 CGEERN CCN(c1ccc(C#N)cc1Cl)[C@H](C)COC ZINC000062793806 521481284 /nfs/dbraw/zinc/48/12/84/521481284.db2.gz XPBYFTOENMSRIO-SNVBAGLBSA-N 0 0 252.745 3.073 10 30 CGEERN Cc1nc2cc(C(=O)N[C@@H]3CCC[C@H]3C#N)ccc2o1 ZINC000329986432 534636837 /nfs/dbraw/zinc/63/68/37/534636837.db2.gz RUYGTVABCCPXIY-NWDGAFQWSA-N 0 0 269.304 3.133 10 30 CGEERN CC[C@@H]1CC[C@@H](C#N)[C@H](Sc2nnc(C)o2)C1 ZINC000051038113 523342096 /nfs/dbraw/zinc/34/20/96/523342096.db2.gz QLBWFNFJMGVRHF-OUAUKWLOSA-N 0 0 251.355 3.189 10 30 CGEERN COc1ccc(Cl)cc1N[C@@H]1CCC[C@@H]1C#N ZINC000054823731 524245841 /nfs/dbraw/zinc/24/58/41/524245841.db2.gz NOHGGWMFDDZBHI-MWLCHTKSSA-N 0 0 250.729 3.453 10 30 CGEERN Cc1cc(NCc2cc(F)ccc2F)c(C#N)c(C)n1 ZINC000156582502 525277345 /nfs/dbraw/zinc/27/73/45/525277345.db2.gz UIOGCELBGBDQOB-UHFFFAOYSA-N 0 0 273.286 3.460 10 30 CGEERN Cc1ccc(C#N)c(N[C@@H](CO)c2ccccc2)c1 ZINC000063001614 525993316 /nfs/dbraw/zinc/99/33/16/525993316.db2.gz LPHYERNAHMBALV-INIZCTEOSA-N 0 0 252.317 3.012 10 30 CGEERN N#Cc1ccc(-c2ccc(Br)s2)nc1N ZINC000050871165 526581129 /nfs/dbraw/zinc/58/11/29/526581129.db2.gz CWATWLZXDQEZQX-UHFFFAOYSA-N 0 0 280.150 3.026 10 30 CGEERN CC(C)c1nccnc1N[C@@H](C)c1ccc(C#N)cc1 ZINC000413099314 528362426 /nfs/dbraw/zinc/36/24/26/528362426.db2.gz TWYCWXHQRWUWDV-LBPRGKRZSA-N 0 0 266.348 3.067 10 30 CGEERN CCC1(CNC(=O)[C@H]2CCO[C@@H]2c2cccnc2)CC1 ZINC000330106878 529032961 /nfs/dbraw/zinc/03/29/61/529032961.db2.gz LKLVMCOYGWKAGE-UONOGXRCSA-N 0 0 274.364 3.306 10 30 CGEERN CC[C@H]1CCN1CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000330284934 529244677 /nfs/dbraw/zinc/24/46/77/529244677.db2.gz YEADZLFMZHYQIV-JTQLQIEISA-N 0 0 298.289 3.080 10 30 CGEERN CCC1CCC(NC(=O)c2ccc(C=NOC)cc2)CC1 ZINC000255278624 618155345 /nfs/dbraw/zinc/15/53/45/618155345.db2.gz KBIYKKMMUYSYMJ-UHFFFAOYSA-N 0 0 288.391 3.366 10 30 CGEERN N#C[C@H](COC(=O)[C@@H]1C[C@@H]1C1CC1)Cc1ccc(F)cc1 ZINC000176117082 618402691 /nfs/dbraw/zinc/40/26/91/618402691.db2.gz IIFZATLSJPDJDY-DAXOMENPSA-N 0 0 287.334 3.097 10 30 CGEERN Cc1ccc2c(c1)ncc(C#N)c2NC[C@@H]1CCCO1 ZINC000223148163 622855199 /nfs/dbraw/zinc/85/51/99/622855199.db2.gz HGMSCGNCRUZACT-ZDUSSCGKSA-N 0 0 267.332 3.006 10 30 CGEERN C#CCCCNC(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000174312155 623383458 /nfs/dbraw/zinc/38/34/58/623383458.db2.gz AKNGGAVFFVKDKJ-JTQLQIEISA-N 0 0 282.746 3.253 10 30 CGEERN C[C@H](O)c1cccc(OCc2cn3ccccc3c2C#N)c1 ZINC000154675208 624341811 /nfs/dbraw/zinc/34/18/11/624341811.db2.gz WGCQIYDAEAIWMF-ZDUSSCGKSA-N 0 0 292.338 3.443 10 30 CGEERN CCc1ccc([C@H](CC=O)NC(=O)OC(C)(C)C)cc1 ZINC000238292929 624760135 /nfs/dbraw/zinc/76/01/35/624760135.db2.gz RWGMVNWDXWSMMO-AWEZNQCLSA-N 0 0 277.364 3.404 10 30 CGEERN C[C@H](C#N)NC(=O)c1sc2ccccc2c1Cl ZINC000068925394 624770044 /nfs/dbraw/zinc/77/00/44/624770044.db2.gz KCQOSQWMAJVKPL-SSDOTTSWSA-N 0 0 264.737 3.197 10 30 CGEERN CC(C)(C)OC(=O)N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2S ZINC000757159495 630586576 /nfs/dbraw/zinc/58/65/76/630586576.db2.gz CTAPQVNNMHSNGV-AXFHLTTASA-N 0 0 271.426 3.340 10 30 CGEERN C#CCCCCNC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000159796809 640069682 /nfs/dbraw/zinc/06/96/82/640069682.db2.gz GRCSFLZZOKNEAT-NWDGAFQWSA-N 0 0 290.329 3.210 10 30 CGEERN C#CC[C@H](OC(=O)[C@H]1C[C@@H]1c1cccc(OC)c1)C1CC1 ZINC000079205624 640382866 /nfs/dbraw/zinc/38/28/66/640382866.db2.gz NSBGYALACRLRDR-IKGGRYGDSA-N 0 0 284.355 3.144 10 30 CGEERN CC(C)c1csc(C(C#N)C(=O)[C@H]2C[C@H]2C2CC2)n1 ZINC000246194814 640663997 /nfs/dbraw/zinc/66/39/97/640663997.db2.gz WFCMIOOQTRQXER-SDDRHHMPSA-N 0 0 274.389 3.489 10 30 CGEERN C=CCN(CC=C)C(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588436477 799693421 /nfs/dbraw/zinc/69/34/21/799693421.db2.gz YXHDRZRMHPLVBE-SEYXRHQNSA-N 0 0 286.331 3.199 10 30 CGEERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H](C#N)C(C)C ZINC000588447434 799695869 /nfs/dbraw/zinc/69/58/69/799695869.db2.gz NWMPCJLSJRPABW-MSKHEQNASA-N 0 0 288.303 3.089 10 30 CGEERN C#CC[C@H](OC(=O)/C=C\c1cncc(F)c1)C(C)(C)C ZINC000588540024 799709761 /nfs/dbraw/zinc/70/97/61/799709761.db2.gz IFTUFFLSBUKKPV-DANTVBBOSA-N 0 0 275.323 3.215 10 30 CGEERN CC(C)(CCC#N)COC(=O)/C=C\c1cncc(F)c1 ZINC000588616863 799721327 /nfs/dbraw/zinc/72/13/27/799721327.db2.gz WYIFWIFDXKYECE-PLNGDYQASA-N 0 0 276.311 3.107 10 30 CGEERN C=CCC1([NH2+]Cc2cc(C)c(C(=O)[O-])o2)CCCC1 ZINC000690759653 976332345 /nfs/dbraw/zinc/33/23/45/976332345.db2.gz LHFASGUGIXAGOS-UHFFFAOYSA-N 0 0 263.337 3.265 10 30 CGEERN C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1occc1C(=O)[O-] ZINC000692246178 976408214 /nfs/dbraw/zinc/40/82/14/976408214.db2.gz GJFSYOFODLLPOE-DGCLKSJQSA-N 0 0 263.337 3.202 10 30 CGEERN C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(C(=O)[O-])c(C)[nH]1 ZINC000692228671 976408275 /nfs/dbraw/zinc/40/82/75/976408275.db2.gz ZBOYVQNRFKDQKJ-DOMZBBRYSA-N 0 0 276.380 3.246 10 30 CGEERN C=CC[N@H+](Cc1csc(C(=O)[O-])c1)C(C)(C)C ZINC000701780963 977038877 /nfs/dbraw/zinc/03/88/77/977038877.db2.gz UWWDAVLNPUYIHU-UHFFFAOYSA-N 0 0 253.367 3.233 10 30 CGEERN CCOC(=O)[C@@]1(CCCCCc2ccccc2)CO1 ZINC000001853741 344856390 /nfs/dbraw/zinc/85/63/90/344856390.db2.gz NMLJNUQEDFUFOS-MRXNPFEDSA-N 0 0 262.349 3.122 10 30 CGEERN CC(C)[NH2+]C/C(COc1cccc2ccccc21)=N\[O-] ZINC000026002729 344905559 /nfs/dbraw/zinc/90/55/59/344905559.db2.gz ZSAGIFFJUVSAIV-NBVRZTHBSA-N 0 0 272.348 3.047 10 30 CGEERN COc1ccc2c(c1OC)CCc1ccccc1[C@@]21CO1 ZINC000034149948 344937737 /nfs/dbraw/zinc/93/77/37/344937737.db2.gz LRYIOBKOULFHHW-SFHVURJKSA-N 0 0 282.339 3.076 10 30 CGEERN O=[N+]([O-])c1cccc([C@H]2O[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000039190621 344958044 /nfs/dbraw/zinc/95/80/44/344958044.db2.gz MDLVQLDRLZUEEF-OKILXGFUSA-N 0 0 286.243 3.316 10 30 CGEERN O=C(/C=C/c1ccccc1)[C@@H]1O[C@H]1c1ccccc1 ZINC000034485873 344939883 /nfs/dbraw/zinc/93/98/83/344939883.db2.gz YJSQWGOYKMBMTF-YFXCHKOLSA-N 0 0 250.297 3.409 10 30 CGEERN CCOc1ccc([C@H](O)C#Cc2ccccc2)cc1 ZINC000034547170 344940272 /nfs/dbraw/zinc/94/02/72/344940272.db2.gz XRVLBTNUJGJPLG-QGZVFWFLSA-N 0 0 252.313 3.170 10 30 CGEERN N#CCCNc1c(F)cc(F)cc1Br ZINC000036963859 344946104 /nfs/dbraw/zinc/94/61/04/344946104.db2.gz WUUKKUNHERCOPT-UHFFFAOYSA-N 0 0 261.069 3.053 10 30 CGEERN C=C(Cl)CNc1ccc(I)cc1 ZINC000037488478 344950477 /nfs/dbraw/zinc/95/04/77/344950477.db2.gz APPIYDWDBGIGJL-UHFFFAOYSA-N 0 0 293.535 3.456 10 30 CGEERN C[C@@H](C#N)CC(=O)c1cc(Br)ccc1F ZINC000043368294 344997933 /nfs/dbraw/zinc/99/79/33/344997933.db2.gz SRPYGRNLRRQJJU-SSDOTTSWSA-N 0 0 270.101 3.321 10 30 CGEERN C[C@H](CC(=O)N[C@H]1CCC[C@@H]1C#N)CC(C)(C)C ZINC000061888354 345236188 /nfs/dbraw/zinc/23/61/88/345236188.db2.gz RQNIRIUZGZIAPV-UPJWGTAASA-N 0 0 250.386 3.257 10 30 CGEERN CC(C)(C#N)[C@H](O)c1ccc(Br)cc1 ZINC000085884290 345748653 /nfs/dbraw/zinc/74/86/53/345748653.db2.gz WSBOOEVBLLCLRW-SNVBAGLBSA-N 0 0 254.127 3.032 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1cc2ccc(F)cc2s1 ZINC000093695685 345885826 /nfs/dbraw/zinc/88/58/26/345885826.db2.gz UVBJLBWEPIURSM-CMPLNLGQSA-N 0 0 288.347 3.462 10 30 CGEERN CN(C)/C=C/C(=O)c1ccc(Br)cc1Cl ZINC000135054362 346085913 /nfs/dbraw/zinc/08/59/13/346085913.db2.gz ZIVOXONYPMIQGX-AATRIKPKSA-N 0 0 288.572 3.361 10 30 CGEERN O=CCC1(C(=O)OCc2ccccc2)CCCCC1 ZINC000139473801 346100604 /nfs/dbraw/zinc/10/06/04/346100604.db2.gz LXZHKXRYMAOQLY-UHFFFAOYSA-N 0 0 260.333 3.269 10 30 CGEERN C=CCN(C/C(=N/O)c1ccccc1)C(=O)OC(C)(C)C ZINC000150120279 346132231 /nfs/dbraw/zinc/13/22/31/346132231.db2.gz DWHBSKHXLDKHKH-VKAVYKQESA-N 0 0 290.363 3.288 10 30 CGEERN CC(=O)N1CCCS/C1=N\c1c(C)cccc1C ZINC000166832334 346187681 /nfs/dbraw/zinc/18/76/81/346187681.db2.gz FCBYQHCGJMRXMW-PFONDFGASA-N 0 0 262.378 3.276 10 30 CGEERN C=C(C)C(=O)c1c(F)cc(Br)cc1F ZINC000169178223 346192071 /nfs/dbraw/zinc/19/20/71/346192071.db2.gz PXCSNCAQNFKGTH-UHFFFAOYSA-N 0 0 261.065 3.486 10 30 CGEERN O=[N+]([O-])c1ccc(/C=[N+](\[O-])Cc2ccc(Cl)cc2)cc1 ZINC000225414012 346304041 /nfs/dbraw/zinc/30/40/41/346304041.db2.gz GGBIJWCJNXLPKW-YBEGLDIGSA-N 0 0 291.714 3.269 10 30 CGEERN C[C@H]1C[C@@H]1Nc1ccc(C#N)c(Br)c1 ZINC000228185549 346313834 /nfs/dbraw/zinc/31/38/34/346313834.db2.gz FAFCYKRZEYBWTJ-CPCISQLKSA-N 0 0 251.127 3.141 10 30 CGEERN C=C(Br)CNc1cc(Cl)nc(CC)n1 ZINC000229317066 346317194 /nfs/dbraw/zinc/31/71/94/346317194.db2.gz KGCYSCKFXZIPFM-UHFFFAOYSA-N 0 0 276.565 3.013 10 30 CGEERN C[C@@H](C#N)Nc1cccc(Cl)c1Br ZINC000235543904 346335990 /nfs/dbraw/zinc/33/59/90/346335990.db2.gz NXDPMVCJUKPHRX-LURJTMIESA-N 0 0 259.534 3.426 10 30 CGEERN CC(=O)Nc1ccc(N=Cc2ccc(N(C)C)cc2)cc1 ZINC000254447636 346395842 /nfs/dbraw/zinc/39/58/42/346395842.db2.gz BREBFIPGSGIYOY-UHFFFAOYSA-N 0 0 281.359 3.462 10 30 CGEERN C[C@H](CC#N)C(=O)c1cccc(I)c1 ZINC000306818363 346457812 /nfs/dbraw/zinc/45/78/12/346457812.db2.gz FJNNEYIDOWTURT-MRVPVSSYSA-N 0 0 299.111 3.024 10 30 CGEERN Cc1cc(N[C@H](C)COCc2ccccc2)cc(C#N)n1 ZINC000308274647 346466143 /nfs/dbraw/zinc/46/61/43/346466143.db2.gz CZFMRTYRIOBUGT-CQSZACIVSA-N 0 0 281.359 3.279 10 30 CGEERN N#CCc1c(N)cc(C(F)(F)F)cc1C(F)(F)F ZINC000514261372 346635733 /nfs/dbraw/zinc/63/57/33/346635733.db2.gz KPSIBENVQWJNNN-UHFFFAOYSA-N 0 0 268.160 3.372 10 30 CGEERN O=C(CCCCCCc1ccc2ccccc2c1)C(=O)NO ZINC000584652266 346705223 /nfs/dbraw/zinc/70/52/23/346705223.db2.gz LJCWFLIGSWXPOK-UHFFFAOYSA-N 0 0 299.370 3.407 10 30 CGEERN FC(F)(F)Oc1ccc(C#CBr)cc1 ZINC000584660712 346705771 /nfs/dbraw/zinc/70/57/71/346705771.db2.gz HKGJBMWYCWZSEM-UHFFFAOYSA-N 0 0 265.028 3.289 10 30 CGEERN N#CCN(CC(c1ccccc1)c1ccccc1)N=O ZINC000584591447 346685682 /nfs/dbraw/zinc/68/56/82/346685682.db2.gz BCEQIIIGXPQECY-UHFFFAOYSA-N 0 0 265.316 3.325 10 30 CGEERN C=CC/N=C(\C)c1ccc(I)cc1 ZINC000584610254 346691733 /nfs/dbraw/zinc/69/17/33/346691733.db2.gz UCUDFKBKDKZVTN-UKTHLTGXSA-N 0 0 285.128 3.286 10 30 CGEERN N#Cc1nn(-c2cccc(Br)c2)c2ncccc12 ZINC000584619530 346695208 /nfs/dbraw/zinc/69/52/08/346695208.db2.gz DGABQZOEBYFAKX-UHFFFAOYSA-N 0 0 299.131 3.055 10 30 CGEERN N#C[C@@H](c1ccc[nH]1)c1ccc(Br)cc1 ZINC000584622825 346696564 /nfs/dbraw/zinc/69/65/64/346696564.db2.gz MXUYPCKCFBJNBC-LLVKDONJSA-N 0 0 261.122 3.433 10 30 CGEERN C[C@H](O)C(F)(F)[C@H](F)C(F)(F)C(F)(F)C(F)(F)F ZINC000584626685 346697794 /nfs/dbraw/zinc/69/77/94/346697794.db2.gz UBEKWJSJCWEAHM-HRFVKAFMSA-N 0 0 296.104 3.174 10 30 CGEERN CSc1ccc(C2=CC[C@H](OS(C)(=O)=O)CC2)cc1 ZINC000584631337 346698907 /nfs/dbraw/zinc/69/89/07/346698907.db2.gz LUXREIGDCQZNHF-ZDUSSCGKSA-N 0 0 298.429 3.321 10 30 CGEERN N#Cc1cc(Br)ccc1N[C@@H]1CCC[C@H](O)C1 ZINC000611918962 348480620 /nfs/dbraw/zinc/48/06/20/348480620.db2.gz BPZCTFYHDWTKDS-NEPJUHHUSA-N 0 0 295.180 3.036 10 30 CGEERN N#CCc1ccc(OC(F)(F)F)c(OC(F)F)c1 ZINC000616575704 348834124 /nfs/dbraw/zinc/83/41/24/348834124.db2.gz HETKWXCPGPKJCP-UHFFFAOYSA-N 0 0 267.153 3.253 10 30 CGEERN N#Cc1cccc([C@@H]2CCc3ccccc3N2CCO)c1 ZINC000616592268 348838725 /nfs/dbraw/zinc/83/87/25/348838725.db2.gz DTIPNWGNLFWHRL-SFHVURJKSA-N 0 0 278.355 3.044 10 30 CGEERN CC(=O)N1C[C@H](c2ccccc2C#N)Cc2ccccc21 ZINC000616671501 348861559 /nfs/dbraw/zinc/86/15/59/348861559.db2.gz AKCCZHLKSLJVHG-MRXNPFEDSA-N 0 0 276.339 3.251 10 30 CGEERN CC(=O)N1c2ccccc2NC[C@H]1c1ccc(C#N)cc1 ZINC000616685186 348866941 /nfs/dbraw/zinc/86/69/41/348866941.db2.gz QONNXSRLTAXYKL-KRWDZBQOSA-N 0 0 277.327 3.078 10 30 CGEERN Cc1ccc(S(=O)(=O)n2ccc3c2cccc3C#N)cc1 ZINC000091691984 180228263 /nfs/dbraw/zinc/22/82/63/180228263.db2.gz OIWHUFPOHDKMFT-UHFFFAOYSA-N 0 0 296.351 3.058 10 30 CGEERN N#Cc1ccccc1CN1CCC(c2nccs2)CC1 ZINC000336332480 213179006 /nfs/dbraw/zinc/17/90/06/213179006.db2.gz CZMBDKCMLWLLCA-UHFFFAOYSA-N 0 0 283.400 3.394 10 30 CGEERN N#Cc1ccc(N[C@@H]2CCN(c3ccccc3)C2)cc1 ZINC000106474159 138354848 /nfs/dbraw/zinc/35/48/48/138354848.db2.gz JBDABESZISZLFB-MRXNPFEDSA-N 0 0 263.344 3.249 10 30 CGEERN N#Cc1nc2ccccc2cc1N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000334055607 283252708 /nfs/dbraw/zinc/25/27/08/283252708.db2.gz UYWOMNRTZUOFAW-JOQOYGCGSA-N 0 0 293.370 3.476 10 30 CGEERN N#Cc1cc(F)ccc1NC(=O)[C@@H]1CCCCC1(F)F ZINC000297647333 200251942 /nfs/dbraw/zinc/25/19/42/200251942.db2.gz IXNMCOBADUTZPF-NSHDSACASA-N 0 0 282.265 3.461 10 30 CGEERN Cc1csc(CN(C)c2cccc(F)c2C#N)n1 ZINC000301270388 200959033 /nfs/dbraw/zinc/95/90/33/200959033.db2.gz GWNUPAHRHSLZOD-UHFFFAOYSA-N 0 0 261.325 3.099 10 30 CGEERN Cc1nsc(N[C@H](C)COCc2ccccc2)c1C#N ZINC000342292764 216294456 /nfs/dbraw/zinc/29/44/56/216294456.db2.gz JPMMHQNEGQTQFU-LLVKDONJSA-N 0 0 287.388 3.340 10 30 CGEERN CSc1ccc(N[C@H](C)c2cccc(C#N)c2)nn1 ZINC000301417350 201001832 /nfs/dbraw/zinc/00/18/32/201001832.db2.gz COCPOUOSPBTEAQ-SNVBAGLBSA-N 0 0 270.361 3.243 10 30 CGEERN COc1ccc(OCCNc2cc(C)nc(C)c2C#N)cc1 ZINC000301779640 201192953 /nfs/dbraw/zinc/19/29/53/201192953.db2.gz MOPRODWQWFHPIX-UHFFFAOYSA-N 0 0 297.358 3.070 10 30 CGEERN COc1cccc(/C=N/NC(=S)Nc2ccc(C)cc2)c1 ZINC000000524088 368382769 /nfs/dbraw/zinc/38/27/69/368382769.db2.gz HVMJRJLGDFCTMY-GZTJUZNOSA-N 0 0 299.399 3.324 10 30 CGEERN CC#C[C@H](Cc1ccc(O)cc1)c1ccc(O)cc1 ZINC000013470346 368654402 /nfs/dbraw/zinc/65/44/02/368654402.db2.gz UUCSGILLVJJEAR-OAHLLOKOSA-N 0 0 252.313 3.447 10 30 CGEERN C=C(C)COC(=O)c1ccccc1C(=O)OCC(=C)C ZINC000033946502 368971397 /nfs/dbraw/zinc/97/13/97/368971397.db2.gz HCUWXGSNCVPNHI-UHFFFAOYSA-N 0 0 274.316 3.152 10 30 CGEERN Cc1cc(NC[C@@H](C)C#N)ccc1Br ZINC000032107782 368924752 /nfs/dbraw/zinc/92/47/52/368924752.db2.gz ABNREYYVEQUWTK-QMMMGPOBSA-N 0 0 253.143 3.329 10 30 CGEERN COC(=O)[C@H](C)N=C(c1ccccc1)c1ccccc1 ZINC000038273509 369146687 /nfs/dbraw/zinc/14/66/87/369146687.db2.gz JRWHHNOBMTWAPR-ZDUSSCGKSA-N 0 0 267.328 3.086 10 30 CGEERN C=CCOc1cc2nc(OC)cc(COC)c2cc1C ZINC000038226935 369145248 /nfs/dbraw/zinc/14/52/48/369145248.db2.gz NQKGZELFBYVOIR-UHFFFAOYSA-N 0 0 273.332 3.263 10 30 CGEERN N#C[C@H]1CCC[C@H]1NCc1cc(Br)ccc1F ZINC000054826261 369507951 /nfs/dbraw/zinc/50/79/51/369507951.db2.gz LAPZOYOZRBYJQM-NOZJJQNGSA-N 0 0 297.171 3.370 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NCc1ccc(C(F)(F)F)cc1 ZINC000061626786 369604341 /nfs/dbraw/zinc/60/43/41/369604341.db2.gz GAVXMSFENQKSKF-AAEUAGOBSA-N 0 0 268.282 3.487 10 30 CGEERN C=CCOc1ccc(CN[C@H]2CCC[C@H]2C#N)cc1 ZINC000061891657 369610759 /nfs/dbraw/zinc/61/07/59/369610759.db2.gz HGEYXTOFJANDER-HOCLYGCPSA-N 0 0 256.349 3.033 10 30 CGEERN N#C[C@H]1CCC[C@H]1NCc1ccccc1OC(F)(F)F ZINC000061891158 369610831 /nfs/dbraw/zinc/61/08/31/369610831.db2.gz KNJQUTIPKVPEIZ-ZYHUDNBSSA-N 0 0 284.281 3.367 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NCc1csc(Br)c1 ZINC000061891981 369610876 /nfs/dbraw/zinc/61/08/76/369610876.db2.gz PEKFFYVSBGTLJV-UWVGGRQHSA-N 0 0 285.210 3.292 10 30 CGEERN Fc1cccc(Cl)c1C[C@@H]1COCC[C@H]1S ZINC000095077086 370170921 /nfs/dbraw/zinc/17/09/21/370170921.db2.gz MQFLAMQLXUSITE-PRHODGIISA-N 0 0 260.761 3.357 10 30 CGEERN O=C1C=COC(c2ccccc2)(c2ccccc2)C1 ZINC000098178177 370268141 /nfs/dbraw/zinc/26/81/41/370268141.db2.gz YABSZBPWAXHPAQ-UHFFFAOYSA-N 0 0 250.297 3.433 10 30 CGEERN C=CCn1cnc(=O)c2ccc(-c3ccccc3)cc21 ZINC000098180566 370268942 /nfs/dbraw/zinc/26/89/42/370268942.db2.gz KIVFMRPITGXTFW-UHFFFAOYSA-N 0 0 262.312 3.250 10 30 CGEERN CC[C@@](C)(C#N)C(=O)N[C@H]1CCCc2ccccc21 ZINC000136236930 371468945 /nfs/dbraw/zinc/46/89/45/371468945.db2.gz BGNGEFRUMLQBHW-HOCLYGCPSA-N 0 0 256.349 3.120 10 30 CGEERN COc1ccc([C@H](C)Nc2ccc(C#N)nc2)cc1OC ZINC000149365603 371527701 /nfs/dbraw/zinc/52/77/01/371527701.db2.gz PSHWBQGZWHVFGW-NSHDSACASA-N 0 0 283.331 3.144 10 30 CGEERN CC#CCC[N@@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000156792952 371995788 /nfs/dbraw/zinc/99/57/88/371995788.db2.gz WPERHZMZIKGNIX-INIZCTEOSA-N 0 0 273.351 3.276 10 30 CGEERN N#Cc1ccc(CN2CC=C(c3ccccc3)CC2)o1 ZINC000159753085 372175319 /nfs/dbraw/zinc/17/53/19/372175319.db2.gz YVAKVGSDYHBSTJ-UHFFFAOYSA-N 0 0 264.328 3.441 10 30 CGEERN CCCC[C@@H](Nc1ccc(C#N)cn1)C(=O)OC(C)(C)C ZINC000159976395 372200002 /nfs/dbraw/zinc/20/00/02/372200002.db2.gz CFQISHYKBXWSAI-CYBMUJFWSA-N 0 0 289.379 3.266 10 30 CGEERN C[C@@H]1CC[C@@H](NC(=O)c2ccc(C#N)cn2)c2ccccc21 ZINC000162739059 372415001 /nfs/dbraw/zinc/41/50/01/372415001.db2.gz RYVZCIVBCNBBEO-MLGOLLRUSA-N 0 0 291.354 3.322 10 30 CGEERN CN(C)c1cc(CNc2ccc(Cl)cc2C#N)ccn1 ZINC000301181331 373684969 /nfs/dbraw/zinc/68/49/69/373684969.db2.gz HVCGSERWGKHQDU-UHFFFAOYSA-N 0 0 286.766 3.285 10 30 CGEERN CCOc1ccc(Oc2ccc([N+](=O)[O-])c(C#N)n2)cc1 ZINC000302741514 373948825 /nfs/dbraw/zinc/94/88/25/373948825.db2.gz RIVBYXMTISSINV-UHFFFAOYSA-N 0 0 285.259 3.052 10 30 CGEERN CCc1nnc(CS[C@@H](C)c2ccc(C#N)cc2)n1C ZINC000179834235 373924438 /nfs/dbraw/zinc/92/44/38/373924438.db2.gz LNFXUQMAFFFQNS-NSHDSACASA-N 0 0 286.404 3.244 10 30 CGEERN Cc1ccc([C@@H]2CN(Cc3ccc(C#N)s3)CCO2)o1 ZINC000180215168 373979024 /nfs/dbraw/zinc/97/90/24/373979024.db2.gz JCGHSNPNBBBQRL-HNNXBMFYSA-N 0 0 288.372 3.095 10 30 CGEERN CC#CCC(=O)c1cc(F)c(F)cc1Br ZINC000306810224 374138458 /nfs/dbraw/zinc/13/84/58/374138458.db2.gz TZIAZRNTXXAHCF-UHFFFAOYSA-N 0 0 273.076 3.323 10 30 CGEERN Cc1cccnc1C(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C ZINC000328609068 374370272 /nfs/dbraw/zinc/37/02/72/374370272.db2.gz CEDXRGYLFNLGRU-OCCSQVGLSA-N 0 0 276.380 3.146 10 30 CGEERN CC1(C)CC[C@H](CNC(=O)C[C@@H]2CCCCC(=O)N2)O1 ZINC000328647824 374373063 /nfs/dbraw/zinc/37/30/63/374373063.db2.gz HZQGVWNYCKSCNP-NWDGAFQWSA-N 0 0 282.384 3.190 10 30 CGEERN O=C(N[C@@H]1CCO[C@@H]1C1CC1)[C@@H]1CCCc2cccnc21 ZINC000328893887 374391110 /nfs/dbraw/zinc/39/11/10/374391110.db2.gz UQDIQXDMJHPUJO-IIAWOOMASA-N 0 0 286.375 3.026 10 30 CGEERN CO[C@@H]1[C@H](C)[C@H](NC(=O)C[C@@H]2CCCCNC2=O)C1(C)C ZINC000329407744 374408508 /nfs/dbraw/zinc/40/85/08/374408508.db2.gz ZSKDACRRACKXHI-UVLXDEKHSA-N 0 0 296.411 3.149 10 30 CGEERN Cc1ccnn1-c1ccccc1NC(=O)N1C[C@H]2CCC[C@@H]21 ZINC000329763073 374428820 /nfs/dbraw/zinc/42/88/20/374428820.db2.gz UBICXUPSOBOLHR-HIFRSBDPSA-N 0 0 296.374 3.211 10 30 CGEERN Brc1ccc(C#Cc2ccncc2)cc1 ZINC000196195827 376119049 /nfs/dbraw/zinc/11/90/49/376119049.db2.gz GBPUJGUAJGGGHH-UHFFFAOYSA-N 0 0 258.118 3.244 10 30 CGEERN C=CCOc1ccccc1CN[C@@H](C)c1ncc(C)o1 ZINC000220939321 376210489 /nfs/dbraw/zinc/21/04/89/376210489.db2.gz NBUKJZZAXAPVEO-ZDUSSCGKSA-N 0 0 272.348 3.399 10 30 CGEERN CS[C@H]1CC[C@H](Nc2cc(C)nc(C)c2C#N)C1 ZINC000227593976 376401650 /nfs/dbraw/zinc/40/16/50/376401650.db2.gz SLRVRJPIPOXALH-RYUDHWBXSA-N 0 0 261.394 3.266 10 30 CGEERN CC(C)C(CNc1ccc([N+](=O)[O-])c(C#N)n1)C(C)C ZINC000232542677 376581614 /nfs/dbraw/zinc/58/16/14/376581614.db2.gz TYZDMAQTTFQFKQ-UHFFFAOYSA-N 0 0 276.340 3.202 10 30 CGEERN CC(C)[C@](C)(C#N)NC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000247296619 377190388 /nfs/dbraw/zinc/19/03/88/377190388.db2.gz GSEALTQKEJUBMR-LZWOXQAQSA-N 0 0 262.397 3.257 10 30 CGEERN C=C[C@H](CC(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccccc1 ZINC000248128960 377269395 /nfs/dbraw/zinc/26/93/95/377269395.db2.gz WCRGOVYYPNXVHW-DDBAPUKQSA-N 0 0 299.414 3.420 10 30 CGEERN C[C@H](N[C@H]1CCC[C@H]1C#N)c1c(F)cccc1F ZINC000251697010 377596270 /nfs/dbraw/zinc/59/62/70/377596270.db2.gz MQPBVANVKGCZMM-KWBADKCTSA-N 0 0 250.292 3.308 10 30 CGEERN CCOC(=O)c1c(CC)ccc(C(F)F)c1C#N ZINC000575389723 377897781 /nfs/dbraw/zinc/89/77/81/377897781.db2.gz MKVBXRVWELASQT-UHFFFAOYSA-N 0 0 253.248 3.235 10 30 CGEERN CCOC(=O)c1c(CC)cc(C#N)cc1C(F)(F)F ZINC000575390186 377898538 /nfs/dbraw/zinc/89/85/38/377898538.db2.gz ZIPNQJYCHMQMIB-UHFFFAOYSA-N 0 0 271.238 3.316 10 30 CGEERN N#Cc1c(N)c(C(F)(F)F)ccc1C(F)(F)F ZINC000575341390 377882547 /nfs/dbraw/zinc/88/25/47/377882547.db2.gz VRZCZOCNEXFNPS-UHFFFAOYSA-N 0 0 254.133 3.178 10 30 CGEERN CCOC(=O)c1cc(CC)c(C#N)cc1C(F)(F)F ZINC000575390176 377898736 /nfs/dbraw/zinc/89/87/36/377898736.db2.gz YVTAWTKQZUMFBL-UHFFFAOYSA-N 0 0 271.238 3.316 10 30 CGEERN OCc1c(F)ccc(C(F)(F)F)c1C(F)(F)F ZINC000575381773 377892592 /nfs/dbraw/zinc/89/25/92/377892592.db2.gz ZLTHYBMVKSGQKZ-UHFFFAOYSA-N 0 0 262.124 3.356 10 30 CGEERN CCOC(=O)Cc1ccc(C(F)(F)F)c(Cl)c1C#N ZINC000575383217 377893942 /nfs/dbraw/zinc/89/39/42/377893942.db2.gz JOVQCENXOMUPTQ-UHFFFAOYSA-N 0 0 291.656 3.336 10 30 CGEERN N#CCc1cc(OC(F)(F)F)c(C#N)cc1OC(F)F ZINC000575640897 377925054 /nfs/dbraw/zinc/92/50/54/377925054.db2.gz UAWVKKBTJMBTSV-UHFFFAOYSA-N 0 0 292.163 3.124 10 30 CGEERN CCOc1c(CC#N)ccc(CC)c1OC(F)F ZINC000575657648 377933968 /nfs/dbraw/zinc/93/39/68/377933968.db2.gz YHTCSCNLHCIUTJ-UHFFFAOYSA-N 0 0 255.264 3.315 10 30 CGEERN N#Cc1c(F)cc(OC(F)(F)F)cc1OC(F)F ZINC000575658368 377934895 /nfs/dbraw/zinc/93/48/95/377934895.db2.gz AXOCWCUEKYYYMG-UHFFFAOYSA-N 0 0 271.116 3.197 10 30 CGEERN COc1cc(OC(F)F)c(CC#N)cc1C(F)(F)F ZINC000575665055 377941787 /nfs/dbraw/zinc/94/17/87/377941787.db2.gz NWLLHTYOXGOAEE-UHFFFAOYSA-N 0 0 281.180 3.381 10 30 CGEERN N#Cc1cc([N+](=O)[O-])c(OC(F)F)cc1C(F)(F)F ZINC000575666285 377943152 /nfs/dbraw/zinc/94/31/52/377943152.db2.gz JXFHTMQXGHZMGP-UHFFFAOYSA-N 0 0 282.124 3.087 10 30 CGEERN CCOc1c(C#N)cc(OC(F)(F)F)cc1CC ZINC000575671593 377947278 /nfs/dbraw/zinc/94/72/78/377947278.db2.gz MQXRDCHXHQLNSH-UHFFFAOYSA-N 0 0 259.227 3.418 10 30 CGEERN N#Cc1cc(Cl)c(OC(F)F)cc1OC(F)F ZINC000575674913 377949795 /nfs/dbraw/zinc/94/97/95/377949795.db2.gz FQHBBYYUAQTHJE-UHFFFAOYSA-N 0 0 269.581 3.414 10 30 CGEERN N#CCc1cc(Br)cc(F)c1OC(F)F ZINC000575680311 377953587 /nfs/dbraw/zinc/95/35/87/377953587.db2.gz MOWKKIIODKMIBC-UHFFFAOYSA-N 0 0 280.043 3.256 10 30 CGEERN CCOC(=O)c1cc(C#N)c(C)cc1C(F)(F)F ZINC000575394696 377902180 /nfs/dbraw/zinc/90/21/80/377902180.db2.gz LLVPSHKXPWPZID-UHFFFAOYSA-N 0 0 257.211 3.062 10 30 CGEERN CCOC(=O)c1c(C)cc(C#N)cc1C(F)(F)F ZINC000575394332 377902346 /nfs/dbraw/zinc/90/23/46/377902346.db2.gz DQHOSZJIRCOUMF-UHFFFAOYSA-N 0 0 257.211 3.062 10 30 CGEERN N#Cc1ccc(OC(F)F)c(Br)c1F ZINC000575680588 377954528 /nfs/dbraw/zinc/95/45/28/377954528.db2.gz RHQHLDZRQRIJMM-UHFFFAOYSA-N 0 0 266.016 3.061 10 30 CGEERN C[C@@H](/C=[N+](\[O-])Cc1ccccc1)OCc1ccccc1 ZINC000575447489 377913540 /nfs/dbraw/zinc/91/35/40/377913540.db2.gz HYHZTGIZGNAALI-BRYHAGSVSA-N 0 0 270.352 3.264 10 30 CGEERN C#CCNc1cc(Br)cc(Br)c1 ZINC000575480366 377915085 /nfs/dbraw/zinc/91/50/85/377915085.db2.gz LXYVLZOGIIJEGN-UHFFFAOYSA-N 0 0 288.970 3.257 10 30 CGEERN COc1c(Br)ccc(OC(F)F)c1CC#N ZINC000575684594 377958956 /nfs/dbraw/zinc/95/89/56/377958956.db2.gz ROMORRYVQDTYIH-UHFFFAOYSA-N 0 0 292.079 3.125 10 30 CGEERN COc1cc(CC#N)c(OC(F)F)cc1Br ZINC000575684799 377958992 /nfs/dbraw/zinc/95/89/92/377958992.db2.gz SJSMBFVOXREMTK-UHFFFAOYSA-N 0 0 292.079 3.125 10 30 CGEERN N#Cc1cc(F)cc(OC(F)(F)F)c1Br ZINC000575689350 377964045 /nfs/dbraw/zinc/96/40/45/377964045.db2.gz DXODMBZXRXPWRX-UHFFFAOYSA-N 0 0 284.006 3.358 10 30 CGEERN N#Cc1c(Br)ccc(F)c1C(F)(F)F ZINC000575689959 377965358 /nfs/dbraw/zinc/96/53/58/377965358.db2.gz ONYLNTLSKOEMDT-UHFFFAOYSA-N 0 0 268.007 3.479 10 30 CGEERN CCc1c(CC#N)ccc(OC(F)(F)F)c1OC ZINC000575702092 377976050 /nfs/dbraw/zinc/97/60/50/377976050.db2.gz CFFPNTQAGDADIQ-UHFFFAOYSA-N 0 0 259.227 3.222 10 30 CGEERN CCCCCOc1ccc(/C=C/C(=O)NO)cc1C ZINC000584627437 378395183 /nfs/dbraw/zinc/39/51/83/378395183.db2.gz SVOTWNBDRBBXAO-VQHVLOKHSA-N 0 0 263.337 3.083 10 30 CGEERN CC(C)[C@H]1CC[C@H](C(=O)N[C@H]2CCC[C@H]2C#N)CC1 ZINC000407979172 379987547 /nfs/dbraw/zinc/98/75/47/379987547.db2.gz RLPYJSLOPJLPRK-AJNGGQMLSA-N 0 0 262.397 3.257 10 30 CGEERN O=C(N[C@@H]1CCCNC1=O)C1(Cc2ccccc2)CC1 ZINC000328601930 542444271 /nfs/dbraw/zinc/44/42/71/542444271.db2.gz GJMPRFVTBMHXLT-CYBMUJFWSA-N 0 0 272.348 3.085 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1coc(C2CCCC2)n1 ZINC000328783714 542445388 /nfs/dbraw/zinc/44/53/88/542445388.db2.gz VKDYPBJUVWKETJ-RYUDHWBXSA-N 0 0 273.336 3.329 10 30 CGEERN Cc1cnc([C@@H](C)NC(=O)c2scnc2C2CC2)o1 ZINC000329409811 542446797 /nfs/dbraw/zinc/44/67/97/542446797.db2.gz CVACFZOAXBHFIQ-MRVPVSSYSA-N 0 0 277.349 3.383 10 30 CGEERN Cc1cnc([C@H](C)NC(=O)[C@H]2CCCSC2)o1 ZINC000329592381 542447691 /nfs/dbraw/zinc/44/76/91/542447691.db2.gz UIZGTEKWLXVBSJ-UWVGGRQHSA-N 0 0 254.355 3.144 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCSc2ccccc21 ZINC000332956193 542451525 /nfs/dbraw/zinc/45/15/25/542451525.db2.gz LINDGHAHYKRPGF-FPMFFAJLSA-N 0 0 286.400 3.074 10 30 CGEERN CN(C(=O)N[C@@H]1CCC[C@@H]1C#N)C1CCCCCC1 ZINC000336033212 288853153 /nfs/dbraw/zinc/85/31/53/288853153.db2.gz SICURXHDBMKNNM-TZMCWYRMSA-N 0 0 263.385 3.043 10 30 CGEERN C=CCN(C(=O)[C@H]1CCCO[C@@H]1C)c1ccccc1 ZINC000191866100 130320420 /nfs/dbraw/zinc/32/04/20/130320420.db2.gz ZESWZMPUIAKANY-HIFRSBDPSA-N 0 0 259.349 3.021 10 30 CGEERN Cc1nc(N2CCc3sccc3[C@H]2C)ccc1C#N ZINC000291626760 392472797 /nfs/dbraw/zinc/47/27/97/392472797.db2.gz KYXQYJJAEPYDIW-LLVKDONJSA-N 0 0 269.373 3.447 10 30 CGEERN C=CCCCCCN(C)Cc1nnc(C(C)C)n1C ZINC000150873232 392481660 /nfs/dbraw/zinc/48/16/60/392481660.db2.gz GVQRCWQWLSOTRO-UHFFFAOYSA-N 0 0 264.417 3.117 10 30 CGEERN C[C@@H]1CC(CNC(=O)NC2CCC3(CC3)CC2)C[C@@H](C)O1 ZINC000329449790 392682675 /nfs/dbraw/zinc/68/26/75/392682675.db2.gz DJJRPPZQTYKYLN-CHWSQXEVSA-N 0 0 294.439 3.416 10 30 CGEERN CC#C[C@@H](O)c1cc(Br)c(Cl)s1 ZINC000306452066 392637980 /nfs/dbraw/zinc/63/79/80/392637980.db2.gz DTOQSYKLLFCCQD-ZCFIWIBFSA-N 0 0 265.559 3.221 10 30 CGEERN C=C(C)C(=O)c1ccc(Br)c(OC)c1 ZINC000307059922 392646926 /nfs/dbraw/zinc/64/69/26/392646926.db2.gz IQTJCSABNSVRFR-UHFFFAOYSA-N 0 0 255.111 3.217 10 30 CGEERN CCN(Cc1nnc(C)n1CC)[C@H](C)c1ccc(C#N)cc1 ZINC000195084752 392956515 /nfs/dbraw/zinc/95/65/15/392956515.db2.gz IMRMBDZECPUSCZ-CYBMUJFWSA-N 0 0 297.406 3.061 10 30 CGEERN C[C@H](CC1CCCCC1)C(=O)N[C@H]1CCC[C@H]1C#N ZINC000408328183 392972416 /nfs/dbraw/zinc/97/24/16/392972416.db2.gz FXHGWPYVLMOLLJ-SNPRPXQTSA-N 0 0 262.397 3.401 10 30 CGEERN Cc1c(Cl)cnc(N[C@H]2CCC[C@@H]2C#N)c1C#N ZINC000408183061 392970954 /nfs/dbraw/zinc/97/09/54/392970954.db2.gz NTBNUAHCSVNUQP-SKDRFNHKSA-N 0 0 260.728 3.019 10 30 CGEERN C#CC[C@@H](O)c1cc(Cl)c(C)cc1Br ZINC000306219970 397677049 /nfs/dbraw/zinc/67/70/49/397677049.db2.gz GZIQEUPTNLIRON-LLVKDONJSA-N 0 0 273.557 3.468 10 30 CGEERN CCOC(=O)CC1([C@H]2CO2)CCC(C(C)C)CC1 ZINC000675053658 543311646 /nfs/dbraw/zinc/31/16/46/543311646.db2.gz PVVGYPJBPFJUDV-JVWICGRDSA-N 0 0 254.370 3.171 10 30 CGEERN CCc1ccc(-c2csc3ncn(CC#N)c(=O)c23)cc1 ZINC000001933457 169764221 /nfs/dbraw/zinc/76/42/21/169764221.db2.gz HTTZHDNHCWXVSY-UHFFFAOYSA-N 0 0 295.367 3.211 10 30 CGEERN C=C1CC/C(=N\O)[C@](C)(NO)CC[C@@H]2[C@@H]1CC2(C)C ZINC000004469011 169969572 /nfs/dbraw/zinc/96/95/72/169969572.db2.gz OVUMAORDFYWCGK-JGSBACDHSA-N 0 0 266.385 3.347 10 30 CGEERN COc1ccc(C(C)N=Nc2ccccc2[N+](=O)[O-])cc1 ZINC000005370608 170089895 /nfs/dbraw/zinc/08/98/95/170089895.db2.gz PNTNQKJDGIWRDJ-LFIBNONCSA-N 0 0 285.303 3.440 10 30 CGEERN Cc1[nH]c2ccccc2c1/C=N/c1ccccc1C(N)=O ZINC000005536639 170110330 /nfs/dbraw/zinc/11/03/30/170110330.db2.gz CGDHEYYRALQRIX-VXLYETTFSA-N 0 0 277.327 3.326 10 30 CGEERN COc1ccccc1/C=C/C(=O)c1nc2ccccc2[nH]1 ZINC000007135759 170268487 /nfs/dbraw/zinc/26/84/87/170268487.db2.gz YIKKFGAEALMNGH-ZHACJKMWSA-N 0 0 278.311 3.468 10 30 CGEERN O=[N+]([O-])c1cccc(C=NNc2ccc(F)cc2)c1 ZINC000007949020 170308903 /nfs/dbraw/zinc/30/89/03/170308903.db2.gz SGHJXGMMSPVHNK-OQLLNIDSSA-N 0 0 259.240 3.180 10 30 CGEERN C=CCc1cc(C(C)=O)c(O)cc1OCCCC#N ZINC000013650544 170573352 /nfs/dbraw/zinc/57/33/52/170573352.db2.gz AXDUGIDMCPUJBG-UHFFFAOYSA-N 0 0 259.305 3.006 10 30 CGEERN COc1cc(OC)c(NCCCC#N)cc1Cl ZINC000020046741 170977859 /nfs/dbraw/zinc/97/78/59/170977859.db2.gz LNHQKVQTZKVNIY-UHFFFAOYSA-N 0 0 254.717 3.073 10 30 CGEERN CCCN[C@H](C#N)c1ccc(Br)cc1 ZINC000020176225 171042526 /nfs/dbraw/zinc/04/25/26/171042526.db2.gz HLOBFWLRLQGTAS-LLVKDONJSA-N 0 0 253.143 3.013 10 30 CGEERN COCCCN[C@H](C#N)c1cccc(Cl)c1Cl ZINC000020177283 171042769 /nfs/dbraw/zinc/04/27/69/171042769.db2.gz ZUSUIVKXYOOVPS-LLVKDONJSA-N 0 0 273.163 3.184 10 30 CGEERN N#Cc1ccccc1Oc1cccc(Cl)c1CO ZINC000020435245 171200908 /nfs/dbraw/zinc/20/09/08/171200908.db2.gz QARJDPYLBBMTTG-UHFFFAOYSA-N 0 0 259.692 3.496 10 30 CGEERN N#CC1(S(=O)(=O)c2ccc(Cl)cc2)CCCCC1 ZINC000035206180 172049863 /nfs/dbraw/zinc/04/98/63/172049863.db2.gz WQYOYFCPVLAQNC-UHFFFAOYSA-N 0 0 283.780 3.340 10 30 CGEERN COc1cc([N+](=O)[O-])ccc1NCc1cccc(C#N)c1 ZINC000035222614 172066036 /nfs/dbraw/zinc/06/60/36/172066036.db2.gz VDVCVTRHSRWIIQ-UHFFFAOYSA-N 0 0 283.287 3.087 10 30 CGEERN CCCC1N=NC(=S)N1N=Cc1ccc(Cl)cc1 ZINC000035418258 172190289 /nfs/dbraw/zinc/19/02/89/172190289.db2.gz KBGIPCZUMHXZBI-ZSOIEALJSA-N 0 0 280.784 3.055 10 30 CGEERN COc1ccc(N[C@@H](C#N)c2ccc3c(c2)OCO3)cc1 ZINC000036489796 172637932 /nfs/dbraw/zinc/63/79/32/172637932.db2.gz YRECTJLTMXGWCK-AWEZNQCLSA-N 0 0 282.299 3.101 10 30 CGEERN N#Cc1cc(N)ccc1NC(=O)c1cccc(Cl)c1 ZINC000036737852 172669580 /nfs/dbraw/zinc/66/95/80/172669580.db2.gz AGGPKKUDFDXEOC-UHFFFAOYSA-N 0 0 271.707 3.046 10 30 CGEERN CC(C)c1ccc([C@H](C#N)C(=O)[C@H]2CCCO2)cc1 ZINC000037347953 173143888 /nfs/dbraw/zinc/14/38/88/173143888.db2.gz XDYRQZAQSKNUAU-LSDHHAIUSA-N 0 0 257.333 3.165 10 30 CGEERN COc1ccc([C@@H](C#N)NC(C)C)cc1Br ZINC000038052197 174064167 /nfs/dbraw/zinc/06/41/67/174064167.db2.gz JCLLQUGUOBGVMP-LLVKDONJSA-N 0 0 283.169 3.020 10 30 CGEERN C=CCNC(=O)c1ccc(Oc2ccc(OC)cc2)cc1 ZINC000040179192 174203101 /nfs/dbraw/zinc/20/31/01/174203101.db2.gz ZRHKSZFMDWATJU-UHFFFAOYSA-N 0 0 283.327 3.403 10 30 CGEERN N#Cc1ccc(Cn2ccnc2-c2ccccc2)cc1 ZINC000040215022 174204272 /nfs/dbraw/zinc/20/42/72/174204272.db2.gz NIKDZOKWEWOLNW-UHFFFAOYSA-N 0 0 259.312 3.470 10 30 CGEERN COc1ccc([C@H](C)Nc2ccc(C#N)cn2)cc1OC ZINC000040444507 174264031 /nfs/dbraw/zinc/26/40/31/174264031.db2.gz YGOSUAVZFAQJIF-NSHDSACASA-N 0 0 283.331 3.144 10 30 CGEERN N#Cc1cccc(N2Cc3ccc(F)cc3C2=N)c1 ZINC000071268625 176102456 /nfs/dbraw/zinc/10/24/56/176102456.db2.gz LEKLPULLBCIIIO-UHFFFAOYSA-N 0 0 251.264 3.043 10 30 CGEERN CCOC(=O)[C@H](C#N)Cc1cccc2ccccc21 ZINC000074468331 176566289 /nfs/dbraw/zinc/56/62/89/176566289.db2.gz VRGBVRKJYOXSHO-AWEZNQCLSA-N 0 0 253.301 3.085 10 30 CGEERN C[C@@H](NCc1ccc(C#N)o1)c1ccc(F)c(F)c1 ZINC000135123091 287461729 /nfs/dbraw/zinc/46/17/29/287461729.db2.gz UZMZGJVLGXSCOB-SECBINFHSA-N 0 0 262.259 3.280 10 30 CGEERN C[C@H]1OCC[C@H]1NC(=O)C1(c2cccnc2)CCCC1 ZINC000329184472 227342725 /nfs/dbraw/zinc/34/27/25/227342725.db2.gz ADJLQVXXSBEPSQ-TZMCWYRMSA-N 0 0 274.364 3.027 10 30 CGEERN O=C(Nc1cccc(-n2cccn2)c1)N1CC[C@H]2CCC[C@H]21 ZINC000330226491 228072676 /nfs/dbraw/zinc/07/26/76/228072676.db2.gz BOGSYLRLYHZXAF-CZUORRHYSA-N 0 0 296.374 3.292 10 30 CGEERN CCn1ncc2ccc(NC(=O)N3CC[C@H]4CCC[C@@H]43)cc21 ZINC000330262056 228084544 /nfs/dbraw/zinc/08/45/44/228084544.db2.gz UQIIKQBYHQYMDN-DOMZBBRYSA-N 0 0 298.390 3.476 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(C2CCC2)cn1 ZINC000333670063 228209772 /nfs/dbraw/zinc/20/97/72/228209772.db2.gz NQDFDKVIQGFSLB-JSGCOSHPSA-N 0 0 284.363 3.163 10 30 CGEERN N#C[C@@]1(c2nc([C@@H]3CCCS3)no2)CC12CCCC2 ZINC000333229678 228194356 /nfs/dbraw/zinc/19/43/56/228194356.db2.gz XWTDIQQQBMDOBT-IINYFYTJSA-N 0 0 275.377 3.363 10 30 CGEERN C=C(C)CS(=O)(=O)N[C@H]1c2ccccc2CCC1(C)C ZINC000189761826 260230546 /nfs/dbraw/zinc/23/05/46/260230546.db2.gz QJZBHCMQUDEPMW-HNNXBMFYSA-N 0 0 293.432 3.196 10 30 CGEERN C[C@@H]1C[C@H](C(=O)N[C@H]2CCC[C@H]2C#N)CC(C)(C)C1 ZINC000408157858 260315826 /nfs/dbraw/zinc/31/58/26/260315826.db2.gz HEBIZYYZMWNYTI-RFGFWPKPSA-N 0 0 262.397 3.257 10 30 CGEERN CC(C)(C)c1ccc(C(=O)N[C@H]2CCC[C@H]2C#N)s1 ZINC000408322002 260790573 /nfs/dbraw/zinc/79/05/73/260790573.db2.gz WJAKTPQZWPFPJZ-QWRGUYRKSA-N 0 0 276.405 3.468 10 30 CGEERN CC(C)(C#N)C(=O)Nc1cc(F)ccc1Br ZINC000156255687 261118149 /nfs/dbraw/zinc/11/81/49/261118149.db2.gz ZOTXQSDZTYZXHL-UHFFFAOYSA-N 0 0 285.116 3.076 10 30 CGEERN CCC(C)(C)NC(=O)CSCc1ccc(F)cc1C#N ZINC000103166875 261276177 /nfs/dbraw/zinc/27/61/77/261276177.db2.gz FDRWNHLYRAWHNE-UHFFFAOYSA-N 0 0 294.395 3.235 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NCc1ccc(Cl)cc1F ZINC000160818751 262301292 /nfs/dbraw/zinc/30/12/92/262301292.db2.gz JWDBPJCTUPRICJ-ZANVPECISA-N 0 0 252.720 3.261 10 30 CGEERN CCCn1c2ccccc2nc1CN[C@@H]1CCC[C@H]1C#N ZINC000061892708 262406127 /nfs/dbraw/zinc/40/61/27/262406127.db2.gz UOLWAXLOARUULA-UONOGXRCSA-N 0 0 282.391 3.228 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)CCSc1ccc(F)cc1 ZINC000340526162 263185235 /nfs/dbraw/zinc/18/52/35/263185235.db2.gz ZCDCRHXUJIDYIO-BXUZGUMPSA-N 0 0 292.379 3.116 10 30 CGEERN O=C(C[C@H]1CCCCC(=O)N1)Nc1cnn(C(F)F)c1 ZINC000328674883 263838072 /nfs/dbraw/zinc/83/80/72/263838072.db2.gz QIORJVKRYQFPEE-MRVPVSSYSA-N 0 0 286.282 3.155 10 30 CGEERN Cc1cc(C)c(C#N)c(N2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000105777599 270048135 /nfs/dbraw/zinc/04/81/35/270048135.db2.gz KMKZLPRQPPQVSF-LLVKDONJSA-N 0 0 283.297 3.349 10 30 CGEERN C[C@H]1C[C@H]1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000103085232 270045396 /nfs/dbraw/zinc/04/53/96/270045396.db2.gz ZLLRJWHMJNORJB-YVEFUNNKSA-N 0 0 292.338 3.489 10 30 CGEERN C[C@H]1C[C@H](NC(=O)c2c(F)cc(C#N)cc2F)C[C@@H](C)C1 ZINC000246206688 287697639 /nfs/dbraw/zinc/69/76/39/287697639.db2.gz RXGZQCLFWMWYIW-IAZYJMLFSA-N 0 0 292.329 3.391 10 30 CGEERN CC1(C)C[C@H](Nc2cnc(C#N)cn2)c2ccccc2O1 ZINC000127185563 275869919 /nfs/dbraw/zinc/86/99/19/275869919.db2.gz UOAYVSPRWUVZNH-ZDUSSCGKSA-N 0 0 280.331 3.063 10 30 CGEERN Cc1c(C#N)c(C)c([N+](=O)[O-])c(C(C)(C)C)c1[N+](=O)[O-] ZINC000098177617 280200748 /nfs/dbraw/zinc/20/07/48/280200748.db2.gz BGIIKAZFBAZWPQ-UHFFFAOYSA-N 0 0 277.280 3.289 10 30 CGEERN Cc1cc(-c2ccc3c(c2)OCCO3)nc(Cl)c1C#N ZINC000095831306 280285153 /nfs/dbraw/zinc/28/51/53/280285153.db2.gz WNFUORHNWMNMSR-UHFFFAOYSA-N 0 0 286.718 3.353 10 30 CGEERN CN(CCC#N)[C@H](C(=O)NC1CCCCC1)c1ccccc1 ZINC000036067069 289576131 /nfs/dbraw/zinc/57/61/31/289576131.db2.gz UUHUXPRTPGYMOK-KRWDZBQOSA-N 0 0 299.418 3.022 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1ccc2sccc2c1 ZINC000336570097 327876248 /nfs/dbraw/zinc/87/62/48/327876248.db2.gz GPYMELBZKNSZFM-OLZOCXBDSA-N 0 0 270.357 3.323 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NCc1cccc(F)c1Br ZINC000382668220 327878610 /nfs/dbraw/zinc/87/86/10/327878610.db2.gz VHWCBTHPCNOEQE-SKDRFNHKSA-N 0 0 297.171 3.370 10 30 CGEERN C=CCOCCCC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000173268099 329144111 /nfs/dbraw/zinc/14/41/11/329144111.db2.gz DUBBAOIUUAMVFZ-NEPJUHHUSA-N 0 0 293.329 3.207 10 30 CGEERN C=CCCOCCNC(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000180551656 329220767 /nfs/dbraw/zinc/22/07/67/329220767.db2.gz SFBRNSRQSUPLFX-UONOGXRCSA-N 0 0 267.413 3.158 10 30 CGEERN C=C(C)CN(CC)C(=O)N[C@H]1CCOc2ccccc21 ZINC000053961910 329668397 /nfs/dbraw/zinc/66/83/97/329668397.db2.gz PDGSOVVYSPFAAO-AWEZNQCLSA-N 0 0 274.364 3.118 10 30 CGEERN C=CCCCC(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000246206365 329803215 /nfs/dbraw/zinc/80/32/15/329803215.db2.gz NFFUWNRKOWRGRJ-USXIJHARSA-N 0 0 255.361 3.187 10 30 CGEERN C=CCCCC(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000246936160 329872854 /nfs/dbraw/zinc/87/28/54/329872854.db2.gz LDTZBWOSQYBBOZ-BFYDXBDKSA-N 0 0 255.361 3.045 10 30 CGEERN C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@H]2CCOc3ccccc32)C1 ZINC000247543760 329882224 /nfs/dbraw/zinc/88/22/24/329882224.db2.gz RFAAQGXHSUFWAA-QIIPPGSGSA-N 0 0 298.386 3.141 10 30 CGEERN C[C@H](N[C@H]1CCC[C@H]1C#N)c1ccc(F)c(F)c1 ZINC000251745713 329933840 /nfs/dbraw/zinc/93/38/40/329933840.db2.gz PYMFYTIKACZKQC-CHIMOYNISA-N 0 0 250.292 3.308 10 30 CGEERN C=CCCCC[C@@H](C)[NH2+]C[C@@H](CC(C)C)C(=O)[O-] ZINC000263074015 330042242 /nfs/dbraw/zinc/04/22/42/330042242.db2.gz QFPFECFSVDUVEN-ZIAGYGMSSA-N 0 0 255.402 3.458 10 30 CGEERN C=CCCO[C@H](C)C(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000119544944 330377602 /nfs/dbraw/zinc/37/76/02/330377602.db2.gz PYEROTCQUMLATN-QWHCGFSZSA-N 0 0 279.355 3.293 10 30 CGEERN C=CCNC(=O)N1CCCC[C@@H]1c1ccc(CC)o1 ZINC000173899146 332985303 /nfs/dbraw/zinc/98/53/03/332985303.db2.gz CUUZKSJLXNXYPW-CYBMUJFWSA-N 0 0 262.353 3.265 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000227851004 333289202 /nfs/dbraw/zinc/28/92/02/333289202.db2.gz IVHKPEPVWIVHNG-OTJKEOIZSA-N 0 0 274.408 3.401 10 30 CGEERN C[C@H](C#N)CNC(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000248433644 334301628 /nfs/dbraw/zinc/30/16/28/334301628.db2.gz DIWNBFQNIJKCMB-TYNCELHUSA-N 0 0 271.364 3.084 10 30 CGEERN C[C@H]1CC[C@H](NC(=O)N2CCC(c3cc[nH]n3)CC2)CC1 ZINC000329860412 533732025 /nfs/dbraw/zinc/73/20/25/533732025.db2.gz XITPXBIHYNTJIO-MQMHXKEQSA-N 0 0 290.411 3.082 10 30 CGEERN CCOc1ccccc1-c1ccc(C#N)c(NC)n1 ZINC000050871352 521440063 /nfs/dbraw/zinc/44/00/63/521440063.db2.gz WFDXZTPDYNFOAU-UHFFFAOYSA-N 0 0 253.305 3.061 10 30 CGEERN C[C@@H](C/C(N)=N/O)Sc1ccc2ccccc2c1 ZINC000048258911 524308471 /nfs/dbraw/zinc/30/84/71/524308471.db2.gz GPONRWBNHOPYRT-JTQLQIEISA-N 0 0 260.362 3.457 10 30 CGEERN COc1ccc(Nc2nc(C)ccc2C#N)c(C)c1 ZINC000061568338 524718400 /nfs/dbraw/zinc/71/84/00/524718400.db2.gz IZFIJFBPAUSBKX-UHFFFAOYSA-N 0 0 253.305 3.322 10 30 CGEERN Cc1cc(N(C)Cc2cccc(F)c2)c(C#N)c(C)n1 ZINC000156552962 525028148 /nfs/dbraw/zinc/02/81/48/525028148.db2.gz KZPFNZGQBYMRPZ-UHFFFAOYSA-N 0 0 269.323 3.346 10 30 CGEERN N#CC(C(=O)C1CCOCC1)c1c(F)cccc1Cl ZINC000061672433 526490604 /nfs/dbraw/zinc/49/06/04/526490604.db2.gz RACDIOPTEQPUFM-SNVBAGLBSA-N 0 0 281.714 3.082 10 30 CGEERN N#Cc1ccc(-c2ccccc2C(F)(F)F)nc1N ZINC000050871136 526582977 /nfs/dbraw/zinc/58/29/77/526582977.db2.gz MINZVRJKIUXKCO-UHFFFAOYSA-N 0 0 263.222 3.221 10 30 CGEERN N#Cc1ccc(NCc2ccc(N)cc2)c(Cl)c1 ZINC000062791415 526664510 /nfs/dbraw/zinc/66/45/10/526664510.db2.gz LGWKNWKZVQWXAN-UHFFFAOYSA-N 0 0 257.724 3.406 10 30 CGEERN CC(C)(CNC(=O)N[C@@H]1CCC[C@@H]1C#N)C1=CCCC1 ZINC000333651224 527141045 /nfs/dbraw/zinc/14/10/45/527141045.db2.gz UVTVXLGJROKRFQ-TZMCWYRMSA-N 0 0 275.396 3.114 10 30 CGEERN CC(C)c1nccnc1N[C@H](C)c1ccc(C#N)cc1 ZINC000413099311 528362463 /nfs/dbraw/zinc/36/24/63/528362463.db2.gz TWYCWXHQRWUWDV-GFCCVEGCSA-N 0 0 266.348 3.067 10 30 CGEERN CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@H](S)CC[C@H]21 ZINC000757163274 617827570 /nfs/dbraw/zinc/82/75/70/617827570.db2.gz MZOGBMOVIZHAMN-OUAUKWLOSA-N 0 0 257.399 3.094 10 30 CGEERN CC(C)[C@H](C#N)OC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000176030688 618355364 /nfs/dbraw/zinc/35/53/64/618355364.db2.gz YAHMOCYCKKRYHX-GYSYKLTISA-N 0 0 279.286 3.160 10 30 CGEERN CCO[C@H]1C[C@@H](OC(=O)c2cccc(C#N)c2)C12CCCC2 ZINC000119718090 618554010 /nfs/dbraw/zinc/55/40/10/618554010.db2.gz WQUUILHQXHMQNX-JKSUJKDBSA-N 0 0 299.370 3.453 10 30 CGEERN N#C[C@H](OC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1)C1CC1 ZINC000177041671 618776953 /nfs/dbraw/zinc/77/69/53/618776953.db2.gz UCRIYLHUYKXLJZ-RDBSUJKOSA-N 0 0 275.735 3.289 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1Nc1cc(C2CC2)nc(C2CC2)n1 ZINC000892795748 618937647 /nfs/dbraw/zinc/93/76/47/618937647.db2.gz FFWPGXYHKPCPRW-STQMWFEESA-N 0 0 268.364 3.336 10 30 CGEERN C#CCOCCC(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000162910125 619227533 /nfs/dbraw/zinc/22/75/33/619227533.db2.gz KFXCVBSGHSEHPO-CQSZACIVSA-N 0 0 287.403 3.201 10 30 CGEERN C#CCCCNC(=O)[C@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000172943756 623298182 /nfs/dbraw/zinc/29/81/82/623298182.db2.gz PTFALCFPRVVVJB-IRXDYDNUSA-N 0 0 269.388 3.443 10 30 CGEERN CC(C)CCO[C@H](C)C(=O)OCC#Cc1ccccc1 ZINC000103651276 630346688 /nfs/dbraw/zinc/34/66/88/630346688.db2.gz ONDXKGHHFIOHGQ-OAHLLOKOSA-N 0 0 274.360 3.033 10 30 CGEERN CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H](S)C(C)(C)[C@H]21 ZINC000757159505 630586820 /nfs/dbraw/zinc/58/68/20/630586820.db2.gz CTAPQVNNMHSNGV-GARJFASQSA-N 0 0 271.426 3.340 10 30 CGEERN C#CC[C@@H](OC(=O)c1cccc(C)c1)c1ccccn1 ZINC000105549399 635920451 /nfs/dbraw/zinc/92/04/51/635920451.db2.gz YROQUGVOKHJNSZ-MRXNPFEDSA-N 0 0 265.312 3.311 10 30 CGEERN CC(C)(C)CCCC(=O)OCCNc1ncccc1C#N ZINC000105550757 635921331 /nfs/dbraw/zinc/92/13/31/635921331.db2.gz SOVOAXFMNMHYHZ-UHFFFAOYSA-N 0 0 289.379 3.125 10 30 CGEERN CC[C@@H](OC(=O)c1ccc(C#N)cn1)c1ccc(F)cc1 ZINC000107879656 636659782 /nfs/dbraw/zinc/65/97/82/636659782.db2.gz QOYIIGNMKPOBQC-OAHLLOKOSA-N 0 0 284.290 3.400 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)Nc1ccccc1-c1ncco1 ZINC000826697331 638209448 /nfs/dbraw/zinc/20/94/48/638209448.db2.gz BTHOZZPNXYBKKE-WCQYABFASA-N 0 0 296.330 3.155 10 30 CGEERN C=CCC[C@H](C)OC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000089320010 640639994 /nfs/dbraw/zinc/63/99/94/640639994.db2.gz SBIWSWRZFRZETE-STQMWFEESA-N 0 0 297.395 3.141 10 30 CGEERN CCCCCCCCCC(=O)NC[C@@H]1CCC[C@@H]1O ZINC000091315788 640710249 /nfs/dbraw/zinc/71/02/49/640710249.db2.gz KABBTVLNTOSITM-GJZGRUSLSA-N 0 0 269.429 3.404 10 30 CGEERN O=C(C=Cc1c[nH]c(-c2ccccc2)n1)c1ccncc1 ZINC000588386315 799685688 /nfs/dbraw/zinc/68/56/88/799685688.db2.gz DPCLOTSNJKAZNB-SREVYHEPSA-N 0 0 275.311 3.368 10 30 CGEERN COc1ccc(O)cc1C(=O)/C=C\c1cc(C#N)cs1 ZINC000588410374 799690152 /nfs/dbraw/zinc/69/01/52/799690152.db2.gz MXENDUYATWZWPY-ARJAWSKDSA-N 0 0 285.324 3.230 10 30 CGEERN COCc1ccc(/C=C\C(=O)c2cc(O)ccc2OC)cc1 ZINC000588410407 799690394 /nfs/dbraw/zinc/69/03/94/799690394.db2.gz VYEDJUKFAYPZMN-CLFYSBASSA-N 0 0 298.338 3.443 10 30 CGEERN Cc1cccnc1/C=C\C(=O)OCc1ccc(C#N)cc1 ZINC000588455171 799696850 /nfs/dbraw/zinc/69/68/50/799696850.db2.gz JCUKFPUZXFXSFU-HJWRWDBZSA-N 0 0 278.311 3.018 10 30 CGEERN Cc1cccnc1/C=C\C(=O)Oc1ccc(C#N)cc1F ZINC000588453412 799697125 /nfs/dbraw/zinc/69/71/25/799697125.db2.gz GVOQVTXUZJSQSV-ALCCZGGFSA-N 0 0 282.274 3.020 10 30 CGEERN C#CC[C@H](OC(=O)/C=C\c1ncccc1C)C(C)(C)C ZINC000588539685 799709510 /nfs/dbraw/zinc/70/95/10/799709510.db2.gz FGZIHWIPXKHFHX-WOLCWHLNSA-N 0 0 271.360 3.384 10 30 CGEERN C=C[C@@](C)(CCOC)COC(=O)/C=C\C(C)(C)C ZINC000588552056 799710147 /nfs/dbraw/zinc/71/01/47/799710147.db2.gz HHEGODKMRZPXSB-CDNLZTBQSA-N 0 0 254.370 3.361 10 30 CGEERN C=C[C@@](C)(CCOC)COC(=O)/C=C\c1ccccc1 ZINC000588552062 799710560 /nfs/dbraw/zinc/71/05/60/799710560.db2.gz JHOIEHPZQTYYAQ-MQNTZWLQSA-N 0 0 274.360 3.472 10 30 CGEERN C#CC[N@@H+](Cc1cccc(C(=O)[O-])c1)C1CCCCC1 ZINC000688871018 954637311 /nfs/dbraw/zinc/63/73/11/954637311.db2.gz UFNHIBUIWCDTGA-UHFFFAOYSA-N 0 0 271.360 3.153 10 30 CGEERN N#Cc1csc(Br)c1Br ZINC000095929673 185031939 /nfs/dbraw/zinc/03/19/39/185031939.db2.gz NZIJTLLIVIWIFG-UHFFFAOYSA-N 0 0 266.945 3.145 10 30 CGEERN Cc1cc(C#N)nc2ccc(I)cc12 ZINC000082768513 178283613 /nfs/dbraw/zinc/28/36/13/178283613.db2.gz HDBZQWPFLLVMFK-UHFFFAOYSA-N 0 0 294.095 3.020 10 30 CGEERN N#Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000591990195 346953544 /nfs/dbraw/zinc/95/35/44/346953544.db2.gz GWGAFMGTAUVBLG-QJPTWQEYSA-N 0 0 257.293 3.067 10 30 CGEERN N#Cc1cc2c(nc1N[C@@H]1CCC[C@H]3C[C@H]31)CCC2 ZINC000591991855 346954167 /nfs/dbraw/zinc/95/41/67/346954167.db2.gz HCLVULVCBPTMMM-PSOPSSQASA-N 0 0 253.349 3.042 10 30 CGEERN N#C[C@@]12O[C@@H]1CCC2(c1ccccc1)c1ccccc1 ZINC000001564903 344856564 /nfs/dbraw/zinc/85/65/64/344856564.db2.gz FALYIIWADGPXEC-SJLPKXTDSA-N 0 0 261.324 3.428 10 30 CGEERN N#C[C@@H]1CCCn2c(C(=O)c3ccccc3)ccc21 ZINC000034069305 344937391 /nfs/dbraw/zinc/93/73/91/344937391.db2.gz HCQRZUGFAPYFQY-ZDUSSCGKSA-N 0 0 250.301 3.120 10 30 CGEERN CC[C@H](C#N)Sc1ccc(Br)cc1N ZINC000043542959 345000856 /nfs/dbraw/zinc/00/08/56/345000856.db2.gz MMKWUCPICSBDHQ-MRVPVSSYSA-N 0 0 271.183 3.426 10 30 CGEERN Clc1ccc(Br)cc1NC1=NCCS1 ZINC000061692127 345231708 /nfs/dbraw/zinc/23/17/08/345231708.db2.gz HPRQMSVFGJGSIO-UHFFFAOYSA-N 0 0 291.601 3.426 10 30 CGEERN CCCOc1ccc(CN[C@@H]2CCC[C@H]2C#N)cc1 ZINC000061891668 345236265 /nfs/dbraw/zinc/23/62/65/345236265.db2.gz BFROKQXZPFKCTM-GOEBONIOSA-N 0 0 258.365 3.257 10 30 CGEERN CCOC(=O)/C(=C/C(C)C)C(=O)c1ccc(F)cc1 ZINC000059026745 345205770 /nfs/dbraw/zinc/20/57/70/345205770.db2.gz XBTQTNNDCGUMKC-UKTHLTGXSA-N 0 0 264.296 3.154 10 30 CGEERN CC(C)(C)c1cc2ncc(C#Cc3ccccc3)cn2n1 ZINC000072314975 345409524 /nfs/dbraw/zinc/40/95/24/345409524.db2.gz YHXMACWAPGQGJL-UHFFFAOYSA-N 0 0 275.355 3.427 10 30 CGEERN COC(=O)c1cccc(/C=N/c2ccccc2)c1[N+](=O)[O-] ZINC000116132249 345976239 /nfs/dbraw/zinc/97/62/39/345976239.db2.gz HHGSVWGWNZOIQD-MHWRWJLKSA-N 0 0 284.271 3.132 10 30 CGEERN N#CCC(=O)c1cc(Cl)ccc1Br ZINC000144914125 346119161 /nfs/dbraw/zinc/11/91/61/346119161.db2.gz FCRGAAFJMFZKDV-UHFFFAOYSA-N 0 0 258.502 3.199 10 30 CGEERN O=[N+]([O-])c1ccccc1C/C(=N/O)c1ccccc1 ZINC000146789780 346124389 /nfs/dbraw/zinc/12/43/89/346124389.db2.gz UJVQTSKZRKQPNM-SQFISAMPSA-N 0 0 256.261 3.016 10 30 CGEERN C[C@@H](CC#N)C(=O)c1ccc(Br)c(F)c1 ZINC000161538173 346175680 /nfs/dbraw/zinc/17/56/80/346175680.db2.gz YYUZMZXTVDRTRD-ZETCQYMHSA-N 0 0 270.101 3.321 10 30 CGEERN CC(C)(C)Oc1cccc(Br)c1C#N ZINC000165019194 346183116 /nfs/dbraw/zinc/18/31/16/346183116.db2.gz SPQBVGBRCSTVLX-UHFFFAOYSA-N 0 0 254.127 3.498 10 30 CGEERN C=C(C)CC(=O)c1cc(N)cc(Br)c1 ZINC000226771573 346307478 /nfs/dbraw/zinc/30/74/78/346307478.db2.gz IKLYVRSFLCDPLV-UHFFFAOYSA-N 0 0 254.127 3.180 10 30 CGEERN N#Cc1ccc2c(ccn2Cc2cccc([N+](=O)[O-])c2)c1 ZINC000224899759 346302212 /nfs/dbraw/zinc/30/22/12/346302212.db2.gz IMISLQVNNBGZSC-UHFFFAOYSA-N 0 0 277.283 3.469 10 30 CGEERN CC[C@@](C)(C#N)[C@H](O)c1occc1Br ZINC000233960989 346330433 /nfs/dbraw/zinc/33/04/33/346330433.db2.gz GRYKUBAJJNPGNR-ZJUUUORDSA-N 0 0 258.115 3.015 10 30 CGEERN C[C@H](C#N)CC(=O)c1cc(F)ccc1Br ZINC000235079057 346333239 /nfs/dbraw/zinc/33/32/39/346333239.db2.gz MIBVEFCUEPTRKG-ZETCQYMHSA-N 0 0 270.101 3.321 10 30 CGEERN C=C(C)CNc1ncc(Br)cc1Cl ZINC000232465012 346325965 /nfs/dbraw/zinc/32/59/65/346325965.db2.gz WQAGPBLMYFKBJK-UHFFFAOYSA-N 0 0 261.550 3.486 10 30 CGEERN N#CCc1cc(Cl)cc(I)c1 ZINC000238577260 346350310 /nfs/dbraw/zinc/35/03/10/346350310.db2.gz KLJWLBCNQKPITB-UHFFFAOYSA-N 0 0 277.492 3.011 10 30 CGEERN O=C(C1=CCCO1)c1cccc(Br)c1F ZINC000236214779 346340101 /nfs/dbraw/zinc/34/01/01/346340101.db2.gz JENYAQYWSRNLFA-UHFFFAOYSA-N 0 0 271.085 3.075 10 30 CGEERN N#C[C@@H]1CCCC[C@H]1NCc1ccc(Br)o1 ZINC000378972850 346554235 /nfs/dbraw/zinc/55/42/35/346554235.db2.gz KJJKLJNBAVWZBL-GXSJLCMTSA-N 0 0 283.169 3.214 10 30 CGEERN COCCNc1ccc(-c2ccc(C=O)cc2)cc1C#N ZINC000536955884 346650363 /nfs/dbraw/zinc/65/03/63/346650363.db2.gz VRGSGWDNTXKNSC-UHFFFAOYSA-N 0 0 280.327 3.096 10 30 CGEERN Fc1cc(OC(F)F)c(F)c(OC(F)(F)F)c1 ZINC000514257868 346635649 /nfs/dbraw/zinc/63/56/49/346635649.db2.gz MDEBOKOWYNXXEF-UHFFFAOYSA-N 0 0 264.096 3.465 10 30 CGEERN C[C@H]1CCc2ccccc2N1c1ccccc1/C(N)=N/O ZINC000020075821 136580015 /nfs/dbraw/zinc/58/00/15/136580015.db2.gz QQDMFZHMOKOSRE-LBPRGKRZSA-N 0 0 281.359 3.254 10 30 CGEERN C=C[C@@](C)(CC(=O)OC)CC1(C)SCCS1 ZINC000584657774 346705882 /nfs/dbraw/zinc/70/58/82/346705882.db2.gz JQQXKWIGVNUPKQ-NSHDSACASA-N 0 0 260.424 3.328 10 30 CGEERN C[C@H](CC#N)[NH2+]CCCCCCCC[NH2+][C@H](C)CC#N ZINC000584600252 346689156 /nfs/dbraw/zinc/68/91/56/346689156.db2.gz UEASPWPTZMVZLO-HZPDHXFCSA-N 0 0 278.444 3.111 10 30 CGEERN C/C(=N\O)c1cn(C)c2ccc(C(F)(F)F)cc12 ZINC000584603705 346690479 /nfs/dbraw/zinc/69/04/79/346690479.db2.gz KYTVVRFDVZZQLJ-FRKPEAEDSA-N 0 0 256.227 3.395 10 30 CGEERN CCOC(=O)/N=C(\c1ccc(F)cc1)C(F)(F)F ZINC000584603349 346690618 /nfs/dbraw/zinc/69/06/18/346690618.db2.gz YRVHVANCBICZBG-CXUHLZMHSA-N 0 0 263.190 3.334 10 30 CGEERN Cc1cc(-c2ccccc2)ccc1C[C@H](O)CC#N ZINC000584611799 346692679 /nfs/dbraw/zinc/69/26/79/346692679.db2.gz IAOUIEQFWIPQMI-QGZVFWFLSA-N 0 0 251.329 3.479 10 30 CGEERN CC[C@]1(c2ccc(-c3ccccc3)cc2)O[C@H](O)C=CC1=O ZINC000584625194 346697214 /nfs/dbraw/zinc/69/72/14/346697214.db2.gz HTKUNVMIHFESPC-RBUKOAKNSA-N 0 0 294.350 3.433 10 30 CGEERN N#C[C@H](c1ccncc1)[C@@H](CCO)c1c(F)cccc1F ZINC000584636684 346700932 /nfs/dbraw/zinc/70/09/32/346700932.db2.gz MCXJNCYQUFWKHT-CHWSQXEVSA-N 0 0 288.297 3.133 10 30 CGEERN CC(C)(C)c1cccc(C(=O)N[C@H]2CCC[C@@H]2C#N)c1 ZINC000594306790 347169443 /nfs/dbraw/zinc/16/94/43/347169443.db2.gz VLCAALICMJNBSX-HIFRSBDPSA-N 0 0 270.376 3.406 10 30 CGEERN N#C[C@@H]1CCCC[C@@H]1NCc1cccnc1C(F)(F)F ZINC000599465967 347747245 /nfs/dbraw/zinc/74/72/45/347747245.db2.gz WTUZENJZKJVHMZ-JQWIXIFHSA-N 0 0 283.297 3.272 10 30 CGEERN CCCCc1ccc(C(=O)N[C@H]2CCC[C@@H]2C#N)cc1 ZINC000610496655 348385135 /nfs/dbraw/zinc/38/51/35/348385135.db2.gz HUYPMFPRLAMGOC-CVEARBPZSA-N 0 0 270.376 3.451 10 30 CGEERN CC(=O)N1C[C@@H](c2ccc(C#N)cc2)Nc2ccccc21 ZINC000616584798 348836318 /nfs/dbraw/zinc/83/63/18/348836318.db2.gz RDKNPIPZRNISBH-INIZCTEOSA-N 0 0 277.327 3.078 10 30 CGEERN N#Cc1cc(N[C@H]2COc3ccccc32)ccc1[N+](=O)[O-] ZINC000127821507 138390614 /nfs/dbraw/zinc/39/06/14/138390614.db2.gz IMCMAEPGICGIMW-ZDUSSCGKSA-N 0 0 281.271 3.012 10 30 CGEERN C[C@H]1OCC[C@H]1Nc1ccc(C#N)cc1C(F)(F)F ZINC000147496771 291233292 /nfs/dbraw/zinc/23/32/92/291233292.db2.gz UTAGZZGJJOPXNG-LDYMZIIASA-N 0 0 270.254 3.166 10 30 CGEERN Cc1cc(Nc2ccc3c(c2)COC3)c(C#N)c(C)n1 ZINC000301913349 201259939 /nfs/dbraw/zinc/25/99/39/201259939.db2.gz DZKFMFVDJDWOML-UHFFFAOYSA-N 0 0 265.316 3.344 10 30 CGEERN COc1cccc(/C=N\c2ccc(NC(C)=O)cc2)c1O ZINC000000250750 368325420 /nfs/dbraw/zinc/32/54/20/368325420.db2.gz KFSNPQNYROCQTD-YVLHZVERSA-N 0 0 284.315 3.110 10 30 CGEERN Cc1ccnc(N[C@H](C)COCc2ccccc2)c1C#N ZINC000343432616 216769816 /nfs/dbraw/zinc/76/98/16/216769816.db2.gz HGFIGZWOJMCFJN-CQSZACIVSA-N 0 0 281.359 3.279 10 30 CGEERN N#CC[C@@H](Cc1ccc(O)cc1)c1ccc(O)cc1 ZINC000013470333 368654520 /nfs/dbraw/zinc/65/45/20/368654520.db2.gz PSUVUCFAOBYJQU-AWEZNQCLSA-N 0 0 253.301 3.338 10 30 CGEERN C[C@H]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)c2ccccc21 ZINC000125007037 370929544 /nfs/dbraw/zinc/92/95/44/370929544.db2.gz NUFAQCUECOBRBN-XHDPSFHLSA-N 0 0 279.343 3.255 10 30 CGEERN CCc1ccc([C@@H]2CCCCN2c2cnc(C#N)cn2)o1 ZINC000125472991 370937077 /nfs/dbraw/zinc/93/70/77/370937077.db2.gz LXJUGQQJZLCCMC-AWEZNQCLSA-N 0 0 282.347 3.235 10 30 CGEERN Cc1cc(C)c(-c2ccc(C(=O)NO)cc2)c(C)c1 ZINC000026247452 368856563 /nfs/dbraw/zinc/85/65/63/368856563.db2.gz UDRJUHFHIVXDHE-UHFFFAOYSA-N 0 0 255.317 3.398 10 30 CGEERN O=CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC000034004000 368971123 /nfs/dbraw/zinc/97/11/23/368971123.db2.gz FCEMFOOGKQYYIR-AWEZNQCLSA-N 0 0 295.329 3.258 10 30 CGEERN Cc1ccc(NC(=S)N/N=C\c2ccccc2)cc1 ZINC000033285735 368961017 /nfs/dbraw/zinc/96/10/17/368961017.db2.gz UGEVMHUMNGFAAO-WJDWOHSUSA-N 0 0 269.373 3.316 10 30 CGEERN N#C[C@H](NCc1ccccc1)c1ccc(F)c(F)c1 ZINC000037939357 369126106 /nfs/dbraw/zinc/12/61/06/369126106.db2.gz PKYKPZFGXGDEIY-HNNXBMFYSA-N 0 0 258.271 3.319 10 30 CGEERN CC(N=Nc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(O)cc1 ZINC000039388836 369150165 /nfs/dbraw/zinc/15/01/65/369150165.db2.gz PQIWIPXHWKNYKE-YVLHZVERSA-N 0 0 296.286 3.008 10 30 CGEERN C[C@H](N[C@@H]1CCC[C@@H]1C#N)c1cc(F)ccc1F ZINC000061891278 369610627 /nfs/dbraw/zinc/61/06/27/369610627.db2.gz HFUSOIQUHGGTPN-IMSIIYSGSA-N 0 0 250.292 3.308 10 30 CGEERN CC(C)Oc1ccc(CN[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000061892086 369610980 /nfs/dbraw/zinc/61/09/80/369610980.db2.gz CJDVZELHVMLSMC-GDBMZVCRSA-N 0 0 258.365 3.256 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NCc1ccccc1OC(F)F ZINC000061891503 369611060 /nfs/dbraw/zinc/61/10/60/369611060.db2.gz KITOIIOLDQAVIL-JQWIXIFHSA-N 0 0 266.291 3.070 10 30 CGEERN CC(C)COC1CCN(Cc2ccc(F)cc2C#N)CC1 ZINC000103141166 370319880 /nfs/dbraw/zinc/31/98/80/370319880.db2.gz NVUQXUGMEIALNU-UHFFFAOYSA-N 0 0 290.382 3.334 10 30 CGEERN CC(C)(C)OC(=O)N[C@H]1CCCCCC[C@@H]1C=O ZINC000098096015 370263821 /nfs/dbraw/zinc/26/38/21/370263821.db2.gz LLWDJVHCIKCLMB-NEPJUHHUSA-N 0 0 255.358 3.049 10 30 CGEERN FC(F)(F)C(F)(F)C(F)(F)[C@@]1(F)OC1(F)F ZINC000103539699 370332345 /nfs/dbraw/zinc/33/23/45/370332345.db2.gz HZTIKNWLZSIYHM-GSVOUGTGSA-N 0 0 266.034 3.108 10 30 CGEERN COC(=NC(=O)c1ccccc1C)N[C@@H](C)c1ccccc1 ZINC000005074529 541848072 /nfs/dbraw/zinc/84/80/72/541848072.db2.gz DGDYRWJZBZVZCG-AWEZNQCLSA-N 0 0 296.370 3.488 10 30 CGEERN CCn1c2ccccc2nc1[C@@H](C)NCc1ccc(C#N)o1 ZINC000174411019 373311071 /nfs/dbraw/zinc/31/10/71/373311071.db2.gz JYRIMYBXKQQSJD-GFCCVEGCSA-N 0 0 294.358 3.372 10 30 CGEERN N#Cc1ccc(NC[C@@H](O)C2CCCC2)cc1Cl ZINC000301266677 373718728 /nfs/dbraw/zinc/71/87/28/373718728.db2.gz FPAZTJAMEPUVOM-CQSZACIVSA-N 0 0 264.756 3.175 10 30 CGEERN C[C@@]1(CO)CCC[C@@H]1Nc1cc(C#N)nc2ccccc21 ZINC000301329025 373746368 /nfs/dbraw/zinc/74/63/68/373746368.db2.gz ADBSWVGLNPGQRE-IRXDYDNUSA-N 0 0 281.359 3.069 10 30 CGEERN CC(C)(CNc1ccc([N+](=O)[O-])c(C#N)n1)c1ccccc1 ZINC000302656319 373916720 /nfs/dbraw/zinc/91/67/20/373916720.db2.gz ABMKZBATBYCPCG-UHFFFAOYSA-N 0 0 296.330 3.251 10 30 CGEERN Cc1ccc(C)c(Oc2ccc([N+](=O)[O-])c(C#N)n2)c1 ZINC000302727263 373942599 /nfs/dbraw/zinc/94/25/99/373942599.db2.gz OMXRSJCAUOCXMH-UHFFFAOYSA-N 0 0 269.260 3.271 10 30 CGEERN CC(C)[C@H]1OCC[C@@H]1CNC(=O)C[C@H]1CCCCC(=O)N1 ZINC000328672335 374374984 /nfs/dbraw/zinc/37/49/84/374374984.db2.gz OCEIKJCAOSGFCH-XJKCOSOUSA-N 0 0 296.411 3.293 10 30 CGEERN C[C@H](NC(=O)CC1CCCCC1)C(=O)N[C@@H]1CCO[C@@H]1C ZINC000328825875 374385681 /nfs/dbraw/zinc/38/56/81/374385681.db2.gz SOFHKVJALQVPAD-OUCADQQQSA-N 0 0 296.411 3.436 10 30 CGEERN Cc1ccccc1[C@H](C)NC(=O)N[C@@H]1CCO[C@H]1C1CC1 ZINC000328849939 374387704 /nfs/dbraw/zinc/38/77/04/374387704.db2.gz UKQIZNBCDUXXOY-MAZHCROVSA-N 0 0 288.391 3.127 10 30 CGEERN C[C@H](Sc1ccccn1)C(=O)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000328875494 374389466 /nfs/dbraw/zinc/38/94/66/374389466.db2.gz JUYZBAPDCSMHOB-ZKYQVNSYSA-N 0 0 292.404 3.086 10 30 CGEERN C=C(C)C[C@H](C)C(=O)N1CCC(c2cnn(CC)c2)CC1 ZINC000185625050 374700768 /nfs/dbraw/zinc/70/07/68/374700768.db2.gz CINWHXGRFHRULD-AWEZNQCLSA-N 0 0 289.423 3.211 10 30 CGEERN C#CCC(C)(C)C(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000185718139 374722361 /nfs/dbraw/zinc/72/23/61/374722361.db2.gz LMXVAYBHPAALLL-AWEZNQCLSA-N 0 0 295.386 3.099 10 30 CGEERN Cc1c2ccccc2oc1C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000335831581 375466160 /nfs/dbraw/zinc/46/61/60/375466160.db2.gz QKNNZYTXPAQRIH-DGCLKSJQSA-N 0 0 268.316 3.163 10 30 CGEERN CNc1ccc(Cl)c(COc2ccc(C#N)cc2)n1 ZINC000061640090 522625094 /nfs/dbraw/zinc/62/50/94/522625094.db2.gz FWXQFMHJFMLFKX-UHFFFAOYSA-N 0 0 273.723 3.227 10 30 CGEERN C=CCN(C/C(=N\O)c1cccs1)C(=O)OC(C)(C)C ZINC000215970943 376153836 /nfs/dbraw/zinc/15/38/36/376153836.db2.gz KZKZDBOYKAXJAE-RVDMUPIBSA-N 0 0 296.392 3.350 10 30 CGEERN C[C@H](Nc1ccc([N+](=O)[O-])c(C#N)n1)c1cccs1 ZINC000235540973 376644381 /nfs/dbraw/zinc/64/43/81/376644381.db2.gz KGRNAFQDIUTXEL-QMMMGPOBSA-N 0 0 274.305 3.096 10 30 CGEERN CC1(C)CC(=O)C=C(NNC(=S)Nc2ccccc2)C1 ZINC000254397979 377705819 /nfs/dbraw/zinc/70/58/19/377705819.db2.gz HGOMMLQNXYMRPM-UHFFFAOYSA-N 0 0 289.404 3.108 10 30 CGEERN CCOC(=O)Cc1ccc(C#N)c(CC)c1C(F)F ZINC000575389348 377897752 /nfs/dbraw/zinc/89/77/52/377897752.db2.gz AVZKKPMMLDXCSB-UHFFFAOYSA-N 0 0 267.275 3.164 10 30 CGEERN COC(=O)c1cc(C#N)c(SC(F)(F)F)cc1F ZINC000575390626 377898593 /nfs/dbraw/zinc/89/85/93/377898593.db2.gz HWYNHTAIMIIPQP-UHFFFAOYSA-N 0 0 279.214 3.096 10 30 CGEERN COC(=O)Cc1cc(F)cc(SC(F)(F)F)c1C#N ZINC000575390666 377898630 /nfs/dbraw/zinc/89/86/30/377898630.db2.gz NFMTWZZMNAQDEL-UHFFFAOYSA-N 0 0 293.241 3.025 10 30 CGEERN CCOC(=O)c1cc(C(F)F)cc(C#N)c1CC ZINC000575389865 377898825 /nfs/dbraw/zinc/89/88/25/377898825.db2.gz SAYBRTSOGCSVOQ-UHFFFAOYSA-N 0 0 253.248 3.235 10 30 CGEERN CCOC(=O)c1cc(C#N)c(Cl)cc1OC(F)(F)F ZINC000575382939 377892657 /nfs/dbraw/zinc/89/26/57/377892657.db2.gz VBBIOAPEIVGLGD-UHFFFAOYSA-N 0 0 293.628 3.287 10 30 CGEERN CCOC(=O)c1cc(C#N)cc(C(F)F)c1OC(F)F ZINC000575385257 377894885 /nfs/dbraw/zinc/89/48/85/377894885.db2.gz HAWZCPXEHVBDKR-UHFFFAOYSA-N 0 0 291.200 3.274 10 30 CGEERN CCOC(=O)Cc1c(C#N)c(CC)ccc1C(F)(F)F ZINC000575389268 377896135 /nfs/dbraw/zinc/89/61/35/377896135.db2.gz DOBXJYNVGWWGPV-UHFFFAOYSA-N 0 0 285.265 3.245 10 30 CGEERN COC(=O)Cc1cc(C#N)c(C(F)F)c(C(F)(F)F)c1 ZINC000575387075 377896474 /nfs/dbraw/zinc/89/64/74/377896474.db2.gz ICFSQOXUAVBIBK-UHFFFAOYSA-N 0 0 293.191 3.230 10 30 CGEERN CCOc1cc(C#N)c(C(F)(F)F)c(CC#N)c1 ZINC000575642500 377926140 /nfs/dbraw/zinc/92/61/40/377926140.db2.gz BYPQLMAHGWFINJ-UHFFFAOYSA-N 0 0 254.211 3.042 10 30 CGEERN CCOc1c(CC#N)cc(C#N)cc1C(F)(F)F ZINC000575643777 377926276 /nfs/dbraw/zinc/92/62/76/377926276.db2.gz UJBKDNGFRBOMOI-UHFFFAOYSA-N 0 0 254.211 3.042 10 30 CGEERN CCc1c(CC#N)cc(C#N)cc1OC(F)(F)F ZINC000575648136 377927311 /nfs/dbraw/zinc/92/73/11/377927311.db2.gz MNKXKUGMJHSZEM-UHFFFAOYSA-N 0 0 254.211 3.085 10 30 CGEERN CCc1cc(OC(F)(F)F)c(C#N)cc1CC#N ZINC000575650139 377928318 /nfs/dbraw/zinc/92/83/18/377928318.db2.gz UGKOFGCXWSYWSP-UHFFFAOYSA-N 0 0 254.211 3.085 10 30 CGEERN CCOc1cc(C(F)F)cc(CC#N)c1OCC ZINC000575650036 377928388 /nfs/dbraw/zinc/92/83/88/377928388.db2.gz KPZBDELKRAYQBK-UHFFFAOYSA-N 0 0 255.264 3.488 10 30 CGEERN CCOc1cc(CC)cc(OC(F)F)c1CC#N ZINC000575657361 377933460 /nfs/dbraw/zinc/93/34/60/377933460.db2.gz VAGCKSMYOQRETH-UHFFFAOYSA-N 0 0 255.264 3.315 10 30 CGEERN N#Cc1c(F)cc(C(F)(F)F)cc1OC(F)F ZINC000575658821 377935117 /nfs/dbraw/zinc/93/51/17/377935117.db2.gz DXWDQVXHGRVKQU-UHFFFAOYSA-N 0 0 255.117 3.318 10 30 CGEERN N#Cc1c(Br)cc(F)cc1OC(F)F ZINC000575681095 377956226 /nfs/dbraw/zinc/95/62/26/377956226.db2.gz YCRILRXZUBYKHJ-UHFFFAOYSA-N 0 0 266.016 3.061 10 30 CGEERN Cc1ccc(Br)c(C#N)c1OC(F)F ZINC000575683011 377956865 /nfs/dbraw/zinc/95/68/65/377956865.db2.gz KDIDPTVGEDHEHQ-UHFFFAOYSA-N 0 0 262.053 3.231 10 30 CGEERN Cc1cc(OC(F)F)cc(CC#N)c1Br ZINC000575682941 377956919 /nfs/dbraw/zinc/95/69/19/377956919.db2.gz HDRZVJJBGZAQFI-UHFFFAOYSA-N 0 0 276.080 3.425 10 30 CGEERN Cc1cc(Br)c(OC(F)F)cc1CC#N ZINC000575683006 377957169 /nfs/dbraw/zinc/95/71/69/377957169.db2.gz JZZYDKQPQASFDZ-UHFFFAOYSA-N 0 0 276.080 3.425 10 30 CGEERN N#CCc1cc(Cl)c([N+](=O)[O-])c(Br)c1 ZINC000575679107 377952984 /nfs/dbraw/zinc/95/29/84/377952984.db2.gz YUNCQTZLIJPFGP-UHFFFAOYSA-N 0 0 275.489 3.077 10 30 CGEERN N#CCc1cc(Br)cc(C(F)F)c1O ZINC000575684091 377958265 /nfs/dbraw/zinc/95/82/65/377958265.db2.gz FMSMIFFIJFUATQ-UHFFFAOYSA-N 0 0 262.053 3.158 10 30 CGEERN COc1cc(CC#N)c(Br)c(C(F)F)c1 ZINC000575686841 377961865 /nfs/dbraw/zinc/96/18/65/377961865.db2.gz RJEDCYVOIJLNRK-UHFFFAOYSA-N 0 0 276.080 3.461 10 30 CGEERN N#CCc1cc([N+](=O)[O-])c(Br)cc1C(F)F ZINC000575687877 377963309 /nfs/dbraw/zinc/96/33/09/377963309.db2.gz WDISLWXCDFINTB-UHFFFAOYSA-N 0 0 291.051 3.361 10 30 CGEERN N#CCc1c(Br)c(O)ccc1C(F)(F)F ZINC000575691332 377966525 /nfs/dbraw/zinc/96/65/25/377966525.db2.gz KOFUZHQXFSKQEE-UHFFFAOYSA-N 0 0 280.043 3.240 10 30 CGEERN Oc1c(F)cc(C(F)(F)F)cc1OC(F)(F)F ZINC000575702865 377975844 /nfs/dbraw/zinc/97/58/44/377975844.db2.gz HVJHJKITOFRLIS-UHFFFAOYSA-N 0 0 264.096 3.449 10 30 CGEERN Oc1cc(OC(F)(F)F)c(F)c(C(F)(F)F)c1 ZINC000575703715 377977027 /nfs/dbraw/zinc/97/70/27/377977027.db2.gz HWKVWCZVWSXAFD-UHFFFAOYSA-N 0 0 264.096 3.449 10 30 CGEERN N#Cc1cc(Br)ccc1CN1C[C@H]2CCC[C@H]21 ZINC000346965141 378699759 /nfs/dbraw/zinc/69/97/59/378699759.db2.gz ICLQHKDFNCMVCL-BXUZGUMPSA-N 0 0 291.192 3.305 10 30 CGEERN Cc1cccc2ncnc(N[C@H]3CCC[C@H]3C#N)c12 ZINC000408351022 380006024 /nfs/dbraw/zinc/00/60/24/380006024.db2.gz BECGYQITUTUFJG-RYUDHWBXSA-N 0 0 252.321 3.042 10 30 CGEERN Cc1ccnc(N2CCC[C@@H](c3nccs3)C2)c1C#N ZINC000363669870 382244227 /nfs/dbraw/zinc/24/42/27/382244227.db2.gz ITMBUIAHCPEMIP-GFCCVEGCSA-N 0 0 284.388 3.102 10 30 CGEERN C#CCCCC(=O)N[C@H]1c2cc(C)ccc2C[C@H]1C ZINC000192170973 533022870 /nfs/dbraw/zinc/02/28/70/533022870.db2.gz BOEIFTKPLLTIOL-CXAGYDPISA-N 0 0 255.361 3.148 10 30 CGEERN C[C@H](C[C@@H]1CCCO1)NC(=O)Cc1noc2ccccc12 ZINC000328702575 542444448 /nfs/dbraw/zinc/44/44/48/542444448.db2.gz NVRPZOJHLOYCIK-NEPJUHHUSA-N 0 0 288.347 3.284 10 30 CGEERN O=C(N[C@@H]1CCCC[C@@H]1O)c1coc(C2CCCCC2)n1 ZINC000328754898 542445468 /nfs/dbraw/zinc/44/54/68/542445468.db2.gz SNHSFZGKDGSJSA-OCCSQVGLSA-N 0 0 292.379 3.330 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(OC2CCCC2)nc1 ZINC000329324698 542446307 /nfs/dbraw/zinc/44/63/07/542446307.db2.gz VTDWULBWMVGXET-WFASDCNBSA-N 0 0 299.374 3.400 10 30 CGEERN CCCCOC[C@@H](O)CSc1ccc(C#N)cc1Cl ZINC000193385395 130618261 /nfs/dbraw/zinc/61/82/61/130618261.db2.gz OCGZGVBSWLCMNW-GFCCVEGCSA-N 0 0 299.823 3.481 10 30 CGEERN CC[C@H](C)[C@H](C)C(=O)N1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000366214041 392451008 /nfs/dbraw/zinc/45/10/08/392451008.db2.gz ZSZQYHGJZFAOTB-LJIGWXMPSA-N 0 0 292.423 3.122 10 30 CGEERN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)[C@@H]1CCCOCC1 ZINC000329286663 392678632 /nfs/dbraw/zinc/67/86/32/392678632.db2.gz PJVDPMWTDAFJFK-YRGRVCCFSA-N 0 0 296.411 3.293 10 30 CGEERN C[C@H](CC1CC1)NC(=O)N1CCCC[C@@H]1c1ccnn1C ZINC000329461230 392681808 /nfs/dbraw/zinc/68/18/08/392681808.db2.gz PPJJQJNQZKYBDK-IUODEOHRSA-N 0 0 290.411 3.050 10 30 CGEERN CC(C)(C)OC(=O)C#Cc1ccc(F)c(Br)c1 ZINC000675078769 543313302 /nfs/dbraw/zinc/31/33/02/543313302.db2.gz LIHMSWVSKJANNK-UHFFFAOYSA-N 0 0 299.139 3.281 10 30 CGEERN C[C@H]1CC[C@@H](C(=O)Nc2cc(C(C)(C)C)sc2C#N)O1 ZINC000091208711 287106920 /nfs/dbraw/zinc/10/69/20/287106920.db2.gz JCMXCODWTURKIG-ONGXEEELSA-N 0 0 292.404 3.423 10 30 CGEERN O=[N+]([O-])c1ccc(/C=N/c2cc(-c3ccco3)no2)o1 ZINC000003603266 169900852 /nfs/dbraw/zinc/90/08/52/169900852.db2.gz ZAJNTFMAJSFXJB-NTUHNPAUSA-N 0 0 273.204 3.186 10 30 CGEERN Fc1cccc(C=NNc2nc3ccccc3[nH]2)c1 ZINC000005070761 170064041 /nfs/dbraw/zinc/06/40/41/170064041.db2.gz YLUFEGJYBQSZHC-CXUHLZMHSA-N 0 0 254.268 3.148 10 30 CGEERN Cc1cc([N+](=O)[O-])ccc1/N=C/c1ccc(O)cc1 ZINC000005362020 170089647 /nfs/dbraw/zinc/08/96/47/170089647.db2.gz IPLLDELUKILMAI-OQLLNIDSSA-N 0 0 256.261 3.359 10 30 CGEERN C=C[C@@H]([C@H](O)c1ccc(C)cc1)n1nnc2ccccc21 ZINC000005416645 170096301 /nfs/dbraw/zinc/09/63/01/170096301.db2.gz VKCVSTIYYRKGRJ-DOTOQJQBSA-N 0 0 279.343 3.200 10 30 CGEERN CC(=NNc1n[nH]c(=S)[nH]1)c1ccc2ccccc2c1 ZINC000005895932 170151391 /nfs/dbraw/zinc/15/13/91/170151391.db2.gz MEVSPRRDHMILMU-CXUHLZMHSA-N 0 0 283.360 3.083 10 30 CGEERN N/N=C(/c1ccccc1Cl)c1cc(Cl)ccc1N ZINC000006226754 170183828 /nfs/dbraw/zinc/18/38/28/170183828.db2.gz QUEGNOLKMASBPU-AQTBWJFISA-N 0 0 280.158 3.287 10 30 CGEERN C#Cc1cccc(NC(=O)COc2cccc(C)c2C)c1 ZINC000006523551 170209934 /nfs/dbraw/zinc/20/99/34/170209934.db2.gz OPUVRKSTWQFUFE-UHFFFAOYSA-N 0 0 279.339 3.302 10 30 CGEERN COc1ccc(C)cc1C(=O)Nc1ccc(CC#N)cc1 ZINC000008126813 170320147 /nfs/dbraw/zinc/32/01/47/170320147.db2.gz RBUKVJAFWMOSIL-UHFFFAOYSA-N 0 0 280.327 3.322 10 30 CGEERN N#C[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 ZINC000011894380 170456137 /nfs/dbraw/zinc/45/61/37/170456137.db2.gz IHYQXSYRGZXZKI-CYBMUJFWSA-N 0 0 278.311 3.355 10 30 CGEERN COc1cccc(C(=O)N(CCC#N)c2ccccc2)c1 ZINC000019424474 170793917 /nfs/dbraw/zinc/79/39/17/170793917.db2.gz KRYPELKBOKGLOU-UHFFFAOYSA-N 0 0 280.327 3.256 10 30 CGEERN N#Cc1ccc(Nc2cccc(Br)c2)nc1 ZINC000019441378 170802395 /nfs/dbraw/zinc/80/23/95/170802395.db2.gz GSVHWRJAMJYHPD-UHFFFAOYSA-N 0 0 274.121 3.459 10 30 CGEERN CCC(C)(C)c1ccc(OCCC/C(N)=N/O)cc1 ZINC000019808334 170877394 /nfs/dbraw/zinc/87/73/94/170877394.db2.gz MLUPDNMAEAUZNC-UHFFFAOYSA-N 0 0 264.369 3.280 10 30 CGEERN Cc1cccc(N)c1C(=O)N(CCC#N)c1ccccc1 ZINC000019833386 170883530 /nfs/dbraw/zinc/88/35/30/170883530.db2.gz ZJFRJNKMQPVQJR-UHFFFAOYSA-N 0 0 279.343 3.138 10 30 CGEERN C=CCNC(=O)[C@@H](C)Nc1ccccc1SC(F)F ZINC000020360604 171159216 /nfs/dbraw/zinc/15/92/16/171159216.db2.gz YQEQFYFBQOFQPK-SECBINFHSA-N 0 0 286.347 3.104 10 30 CGEERN N#CCOc1ccc(NC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000023150812 171414895 /nfs/dbraw/zinc/41/48/95/171414895.db2.gz CNIGPHRJEWUAEY-BFHYXJOUSA-N 0 0 284.359 3.354 10 30 CGEERN C[C@H]1CSC(Nc2ccccc2C(F)(F)F)=N1 ZINC000035294493 172106105 /nfs/dbraw/zinc/10/61/05/172106105.db2.gz BUBOMILYGKZOFF-ZETCQYMHSA-N 0 0 260.284 3.418 10 30 CGEERN N#Cc1ccc(NCc2ccccc2Cl)c(N)c1 ZINC000035674346 172345231 /nfs/dbraw/zinc/34/52/31/172345231.db2.gz YBQFXVKVYJFZJL-UHFFFAOYSA-N 0 0 257.724 3.406 10 30 CGEERN COc1cc(C#N)ccc1Oc1ccc(N)cc1C ZINC000036950235 172824935 /nfs/dbraw/zinc/82/49/35/172824935.db2.gz BFQOXGMIGFKONH-UHFFFAOYSA-N 0 0 254.289 3.250 10 30 CGEERN C=CCNC(=O)c1cc(-c2ccc(C)cc2)oc1C ZINC000040178787 174203189 /nfs/dbraw/zinc/20/31/89/174203189.db2.gz HYTFMMJNFQMMRJ-UHFFFAOYSA-N 0 0 255.317 3.479 10 30 CGEERN Cc1cccc(C(=O)NC2(C#N)CCCCCC2)c1 ZINC000040221637 174206870 /nfs/dbraw/zinc/20/68/70/174206870.db2.gz BGJFAXXEPBCOOS-UHFFFAOYSA-N 0 0 256.349 3.341 10 30 CGEERN C=CCNc1ncnc(Nc2ccc(C)c(Cl)c2)c1N ZINC000040703547 174379059 /nfs/dbraw/zinc/37/90/59/174379059.db2.gz MRUGOSRFXIGXBG-UHFFFAOYSA-N 0 0 289.770 3.362 10 30 CGEERN N#C[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000044808634 175257518 /nfs/dbraw/zinc/25/75/18/175257518.db2.gz PUJGNLLNVVKIIV-AWEZNQCLSA-N 0 0 250.301 3.008 10 30 CGEERN C[C@@H](Nc1ccc(C#N)c(Cl)c1)[C@H]1CCCO1 ZINC000061846011 175656066 /nfs/dbraw/zinc/65/60/66/175656066.db2.gz RVOUSZYVDVBCRB-NOZJJQNGSA-N 0 0 250.729 3.191 10 30 CGEERN Cc1ccncc1NC1=NC2(CS1)CCCCC2 ZINC000071414099 176159223 /nfs/dbraw/zinc/15/92/23/176159223.db2.gz YBQSAHOGLCTEDY-UHFFFAOYSA-N 0 0 261.394 3.417 10 30 CGEERN N#Cc1ccc(OCC(F)(F)C(F)(F)F)cc1 ZINC000072265878 176352042 /nfs/dbraw/zinc/35/20/42/176352042.db2.gz CQLNSWGCALQEOE-UHFFFAOYSA-N 0 0 251.154 3.135 10 30 CGEERN O=C(C[C@@H]1CCCCNC1=O)NCC1CCSCC1 ZINC000329245818 227377486 /nfs/dbraw/zinc/37/74/86/227377486.db2.gz AIYAWONGBSFFMN-LBPRGKRZSA-N 0 0 284.425 3.233 10 30 CGEERN C=CC(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960519 544111019 /nfs/dbraw/zinc/11/10/19/544111019.db2.gz OSNMHOYMAKDYPT-UHFFFAOYSA-N 0 0 275.348 3.179 10 30 CGEERN N#CC1(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)CCSCC1 ZINC000162239677 262326161 /nfs/dbraw/zinc/32/61/61/262326161.db2.gz OHSQLOVHERMBBI-UONOGXRCSA-N 0 0 292.448 3.108 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000061889267 262405172 /nfs/dbraw/zinc/40/51/72/262405172.db2.gz AARGXOFQGNZNQL-QUDLODQRSA-N 0 0 272.392 3.011 10 30 CGEERN C=CCCCN(C)C(=O)N[C@H](C)c1ccc(C)o1 ZINC000076950332 264350830 /nfs/dbraw/zinc/35/08/30/264350830.db2.gz WMWJWFNZNFOOAJ-GFCCVEGCSA-N 0 0 250.342 3.257 10 30 CGEERN CC(C)c1nc2c(n1C)CCN(c1ccc(C#N)cc1F)C2 ZINC000108952458 276066213 /nfs/dbraw/zinc/06/62/13/276066213.db2.gz XXQQCQZFWRBCEV-UHFFFAOYSA-N 0 0 298.365 3.117 10 30 CGEERN O=C(C1=C(O)C(=Cc2ccccc2)CC1)C(F)(F)F ZINC000199764237 280124604 /nfs/dbraw/zinc/12/46/04/280124604.db2.gz YHCQOFRNSGAFCX-UQSGXBNBSA-N 0 0 268.234 3.181 10 30 CGEERN O=C(C[C@@H]1CCOC1)N[C@H]1CCCc2c(O)cccc21 ZINC000330091782 295390021 /nfs/dbraw/zinc/39/00/21/295390021.db2.gz YDBBQDLEPXCGQQ-FZMZJTMJSA-N 0 0 275.348 3.153 10 30 CGEERN C=CCN(CC1CCCCC1)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000112213466 328391498 /nfs/dbraw/zinc/39/14/98/328391498.db2.gz LPSBBAQIZKYBBW-HOCLYGCPSA-N 0 0 294.439 3.332 10 30 CGEERN C=CCCC(=O)NCc1cc(F)cc(Br)c1 ZINC000102236665 327226220 /nfs/dbraw/zinc/22/62/20/327226220.db2.gz YSDJIXFKRBUCCT-UHFFFAOYSA-N 0 0 286.144 3.171 10 30 CGEERN Cc1cccc2ncnc(N[C@@H]3CCC[C@H]3C#N)c12 ZINC000408351021 327415605 /nfs/dbraw/zinc/41/56/05/327415605.db2.gz BECGYQITUTUFJG-NWDGAFQWSA-N 0 0 252.321 3.042 10 30 CGEERN C[C@H]1c2ccccc2O[C@@H]1C(=O)N(CC#N)c1ccccc1 ZINC000172064958 329080571 /nfs/dbraw/zinc/08/05/71/329080571.db2.gz SRLMDWYTJSGUCU-GUYCJALGSA-N 0 0 292.338 3.108 10 30 CGEERN CCCCCCCCC(=O)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000188762998 329373058 /nfs/dbraw/zinc/37/30/58/329373058.db2.gz YLFGAWKOFIVOFS-RBSFLKMASA-N 0 0 267.413 3.421 10 30 CGEERN C=CCC[C@@H](C(=O)NCCn1cc(C)cn1)c1ccccc1 ZINC000189662311 329384368 /nfs/dbraw/zinc/38/43/68/329384368.db2.gz SNWYFVUQIYATGB-QGZVFWFLSA-N 0 0 297.402 3.058 10 30 CGEERN C=C(C)C[C@H](C)C(=O)N1CCC(Nc2nccs2)CC1 ZINC000190418574 329396607 /nfs/dbraw/zinc/39/66/07/329396607.db2.gz MTPMDIRDGAKOKV-LBPRGKRZSA-N 0 0 293.436 3.148 10 30 CGEERN C=CCN(CC(F)(F)F)C(=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000117626796 329546453 /nfs/dbraw/zinc/54/64/53/329546453.db2.gz YDSQLYGLGXPVPX-MFKMUULPSA-N 0 0 299.292 3.128 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)c1csc2ccccc12 ZINC000061888255 329681441 /nfs/dbraw/zinc/68/14/41/329681441.db2.gz MCWFEBUHEHBLML-ZWNOBZJWSA-N 0 0 270.357 3.323 10 30 CGEERN C=CCCCC[C@@H](C)[NH2+]C[C@H](CC(C)C)C(=O)[O-] ZINC000263074011 330042146 /nfs/dbraw/zinc/04/21/46/330042146.db2.gz QFPFECFSVDUVEN-KGLIPLIRSA-N 0 0 255.402 3.458 10 30 CGEERN C=CCC[C@H](NC(=O)[C@@H]1CC[C@H](C)O1)c1ccccc1 ZINC000134012162 334077326 /nfs/dbraw/zinc/07/73/26/334077326.db2.gz JDDINPCCYABMJV-BPUTZDHNSA-N 0 0 273.376 3.378 10 30 CGEERN CCN[C@@H](C#N)CCSc1nc2ccccc2s1 ZINC000062452646 520057508 /nfs/dbraw/zinc/05/75/08/520057508.db2.gz IVJCIXYOBYJSIQ-SNVBAGLBSA-N 0 0 277.418 3.280 10 30 CGEERN CCCC[C@H](CC)COCC[C@@H](C#N)NC(C)C ZINC000062442301 521180088 /nfs/dbraw/zinc/18/00/88/521180088.db2.gz YXKPKQPUKMLOOI-GJZGRUSLSA-N 0 0 254.418 3.500 10 30 CGEERN C/C(=N\c1nccs1)c1cc2ccccc2oc1=O ZINC000068601439 518473917 /nfs/dbraw/zinc/47/39/17/518473917.db2.gz ANLOCSFADGUZES-CXUHLZMHSA-N 0 0 270.313 3.390 10 30 CGEERN CC/C(=N/O)c1ccc(OCCOC(C)C)cc1 ZINC000049259770 520180096 /nfs/dbraw/zinc/18/00/96/520180096.db2.gz PQURZAFFZKEVQA-PFONDFGASA-N 0 0 251.326 3.079 10 30 CGEERN CCO[C@@H]1C[C@@H](N(C)c2ccc(C#N)cn2)C12CCCC2 ZINC000156883233 520347453 /nfs/dbraw/zinc/34/74/53/520347453.db2.gz WJMYQPXPQVKJTL-HUUCEWRRSA-N 0 0 285.391 3.127 10 30 CGEERN CC1CCC(Oc2ccc(Cl)cc2/C(N)=N/O)CC1 ZINC000052860803 520963367 /nfs/dbraw/zinc/96/33/67/520963367.db2.gz KUUXHBLLNWLSKI-UHFFFAOYSA-N 0 0 282.771 3.392 10 30 CGEERN CC[C@@H](C)N(CC)c1cc(Cl)ccc1/C(N)=N/O ZINC000062789346 522084306 /nfs/dbraw/zinc/08/43/06/522084306.db2.gz KFDHUAZYRTVLBK-SECBINFHSA-N 0 0 269.776 3.059 10 30 CGEERN CC[C@@H]1CCCCN1c1cc(Cl)ccc1/C(N)=N/O ZINC000062789335 523177843 /nfs/dbraw/zinc/17/78/43/523177843.db2.gz MICJXTZEQMQGHF-LLVKDONJSA-N 0 0 281.787 3.203 10 30 CGEERN Cc1cnccc1CCNC(=O)C[C@@H]1CCCCNC1=O ZINC000329378174 534693709 /nfs/dbraw/zinc/69/37/09/534693709.db2.gz MJZHLPLLXOCYQF-AWEZNQCLSA-N 0 0 289.379 3.036 10 30 CGEERN COc1ccc(C)cc1-c1ccc(C#N)c(=S)[nH]1 ZINC000049846094 523798156 /nfs/dbraw/zinc/79/81/56/523798156.db2.gz LQQYCWCIOINYLN-UHFFFAOYSA-N 0 0 256.330 3.226 10 30 CGEERN Cc1cc(C)cc(N(C)Cc2cccnc2C#N)c1 ZINC000061664566 524404487 /nfs/dbraw/zinc/40/44/87/524404487.db2.gz NDGPWEOAHMLSDL-UHFFFAOYSA-N 0 0 251.333 3.207 10 30 CGEERN C[C@@H](Nc1cc(Cl)ccc1C#N)[C@@H]1CCCO1 ZINC000062785284 525697651 /nfs/dbraw/zinc/69/76/51/525697651.db2.gz ZNZOWMUNKWPTSA-RNCFNFMXSA-N 0 0 250.729 3.191 10 30 CGEERN CSc1cccc(NCc2cccnc2C#N)c1 ZINC000061656827 526138293 /nfs/dbraw/zinc/13/82/93/526138293.db2.gz FROFQTPTQXHLHF-UHFFFAOYSA-N 0 0 255.346 3.287 10 30 CGEERN N#C[C@H](C(=O)c1cccnc1)c1ccc(F)cc1Cl ZINC000062610666 526509248 /nfs/dbraw/zinc/50/92/48/526509248.db2.gz DSXAZTPSXXBUNB-LBPRGKRZSA-N 0 0 274.682 3.364 10 30 CGEERN N#C[C@H]1CCC[C@H]1NCc1ccc(F)c(Cl)c1 ZINC000054830008 526513393 /nfs/dbraw/zinc/51/33/93/526513393.db2.gz NQDORBMNWCTHIV-ZWNOBZJWSA-N 0 0 252.720 3.261 10 30 CGEERN N#Cc1c(Cl)cccc1-n1ccc(C(F)(F)F)n1 ZINC000052909019 526518270 /nfs/dbraw/zinc/51/82/70/526518270.db2.gz KAYQRLDHSJDBEL-UHFFFAOYSA-N 0 0 271.629 3.416 10 30 CGEERN N#Cc1ccc(OCc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000049373793 526677160 /nfs/dbraw/zinc/67/71/60/526677160.db2.gz RHMJDVDGYBDFIU-UHFFFAOYSA-N 0 0 272.235 3.185 10 30 CGEERN N#Cc1cccc(-n2c3ccc(N)cc3nc2C2CC2)c1 ZINC000052842386 526693481 /nfs/dbraw/zinc/69/34/81/526693481.db2.gz KZUPJUYDECCLHF-UHFFFAOYSA-N 0 0 274.327 3.357 10 30 CGEERN C=CCN(CC=C)C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109099788 527631786 /nfs/dbraw/zinc/63/17/86/527631786.db2.gz WMDAQJAYWZBQLJ-QWHCGFSZSA-N 0 0 277.314 3.269 10 30 CGEERN CC1(C)CN(C(=O)N[C@@H]2CCC[C@@H]2C#N)[C@H]1c1cccnc1 ZINC000330190290 529059129 /nfs/dbraw/zinc/05/91/29/529059129.db2.gz MKRGQCYMDPOYMA-YUELXQCFSA-N 0 0 298.390 3.071 10 30 CGEERN CC1(C)CCCCN(C(=O)NCc2ccc(C#N)cc2)C1 ZINC000408443483 535293707 /nfs/dbraw/zinc/29/37/07/535293707.db2.gz PUVGKLKVXYHUHM-UHFFFAOYSA-N 0 0 285.391 3.280 10 30 CGEERN CC(C)CC(=O)SCC[C@@H](S)CCCCC(N)=O ZINC000016343194 571739696 /nfs/dbraw/zinc/73/96/96/571739696.db2.gz KMUSXGCRMMQDBP-NSHDSACASA-N 0 0 291.482 3.027 10 30 endogenous,in-man CGEERN Cc1ccc(Br)cc1[C@@]1(C=O)C[C@@H](F)C1 ZINC000725259046 567917045 /nfs/dbraw/zinc/91/70/45/567917045.db2.gz STGBOJJTEKLGPU-KLPPZKSPSA-N 0 0 271.129 3.326 10 30 CGEERN C#CCN(CC#C)C(=O)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000175723484 617644772 /nfs/dbraw/zinc/64/47/72/617644772.db2.gz ZPUSNFAJJMGOJS-QZTJIDSGSA-N 0 0 279.383 3.009 10 30 CGEERN C#CC[C@H](OC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000247036432 618727369 /nfs/dbraw/zinc/72/73/69/618727369.db2.gz NFXXNNLHNROLPC-XEZPLFJOSA-N 0 0 290.309 3.413 10 30 CGEERN CCCCCCCCS(=O)(=O)Cc1nccn1CC ZINC000190920591 619104649 /nfs/dbraw/zinc/10/46/49/619104649.db2.gz DXHXLWRUSDJEKF-UHFFFAOYSA-N 0 0 286.441 3.178 10 30 CGEERN Cc1ccc2c(c1)ncc(C#N)c2NCCCn1ccnc1 ZINC000223148316 622855498 /nfs/dbraw/zinc/85/54/98/622855498.db2.gz ZXGHLSDTBDXVKP-UHFFFAOYSA-N 0 0 291.358 3.114 10 30 CGEERN N#C[C@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000061891390 623185461 /nfs/dbraw/zinc/18/54/61/623185461.db2.gz CPZYEIVAQCFSLP-PRHODGIISA-N 0 0 285.174 3.481 10 30 CGEERN C=CCOCCCC(=O)O[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000174406120 623390896 /nfs/dbraw/zinc/39/08/96/623390896.db2.gz LIXMWBHMBOELQM-LSDHHAIUSA-N 0 0 296.407 3.250 10 30 CGEERN C=CCC[C@H](C)OC(=O)[C@H](NC(=O)CC(C)C)C(C)C ZINC000089317899 623706093 /nfs/dbraw/zinc/70/60/93/623706093.db2.gz OUNBHRGVOWLFOR-DZGCQCFKSA-N 0 0 283.412 3.071 10 30 CGEERN COc1cccc([C@H]2C[C@@H]2C(=O)OCC2(CC#N)CC2)c1 ZINC000174747339 623736489 /nfs/dbraw/zinc/73/64/89/623736489.db2.gz VDIWLKURHCAQDG-CABCVRRESA-N 0 0 285.343 3.036 10 30 CGEERN Cc1ccc([C@H](CC=O)NC(=O)OC(C)(C)C)cc1 ZINC000238485294 624773032 /nfs/dbraw/zinc/77/30/32/624773032.db2.gz CURHGHBDSYUBKD-ZDUSSCGKSA-N 0 0 263.337 3.150 10 30 CGEERN SCc1cc(Br)c2c(c1)OCCCO2 ZINC000086895295 626130913 /nfs/dbraw/zinc/13/09/13/626130913.db2.gz OSSOGLCTSZVWLY-UHFFFAOYSA-N 0 0 275.167 3.040 10 30 CGEERN C=CCCC(=O)O[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000119614507 629668581 /nfs/dbraw/zinc/66/85/81/629668581.db2.gz PVVKNCHSHMKGFK-CHWSQXEVSA-N 0 0 252.354 3.234 10 30 CGEERN C#C[C@@](C)(CC)NC(=O)/C=C\c1ccccc1Cl ZINC000102781131 636067824 /nfs/dbraw/zinc/06/78/24/636067824.db2.gz JFUOAVGCHYHUMG-WOLCWHLNSA-N 0 0 261.752 3.271 10 30 CGEERN C#C[C@](C)(CC)NC(=O)/C=C\c1ccccc1Cl ZINC000102781130 636068087 /nfs/dbraw/zinc/06/80/87/636068087.db2.gz JFUOAVGCHYHUMG-JQPIKURYSA-N 0 0 261.752 3.271 10 30 CGEERN C#CCCCCCCCCCCCC(=O)C[C@@H](O)CO ZINC000013327077 640964596 /nfs/dbraw/zinc/96/45/96/640964596.db2.gz IVYOGHWZHNJSHE-QGZVFWFLSA-N 0 0 282.424 3.223 10 30 biogenic CGEERN C/C(=C/c1ccc(C)cc1)C(=O)OCC(C)(C)C#N ZINC000588418974 799692624 /nfs/dbraw/zinc/69/26/24/799692624.db2.gz XTKBVDQXQGHGID-LCYFTJDESA-N 0 0 257.333 3.491 10 30 CGEERN COc1ccsc1C(=O)/C=C\c1cccnc1C ZINC000588489035 799701072 /nfs/dbraw/zinc/70/10/72/799701072.db2.gz KFOGHNDGRCDLQQ-WAYWQWQTSA-N 0 0 259.330 3.356 10 30 CGEERN CC[C@H](CC#N)OC(=O)/C=C\SCc1ccco1 ZINC000588558159 799711378 /nfs/dbraw/zinc/71/13/78/799711378.db2.gz GTWBVRWKAIJPKG-DHHDDZJSSA-N 0 0 265.334 3.262 10 30 CGEERN CCCCCCCNC(=O)c1ccc(C(=O)OC)cc1 ZINC000100281598 937227745 /nfs/dbraw/zinc/22/77/45/937227745.db2.gz QLRWBTIOYIMXJB-UHFFFAOYSA-N 0 0 277.364 3.173 10 30 CGEERN C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ncc(C(=O)[O-])s1 ZINC000692205656 976406536 /nfs/dbraw/zinc/40/65/36/976406536.db2.gz SDZQJDYPOTUULP-GHMZBOCLSA-N 0 0 280.393 3.066 10 30 CGEERN CO[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC000095829344 185028505 /nfs/dbraw/zinc/02/85/05/185028505.db2.gz SNZPDFWHTKMGBX-INIZCTEOSA-N 0 0 253.301 3.477 10 30 CGEERN N#Cc1nc(Nc2ccc3ccccc3c2)ccc1N ZINC000039152864 344958096 /nfs/dbraw/zinc/95/80/96/344958096.db2.gz KQLJJXSSYRARDJ-UHFFFAOYSA-N 0 0 260.300 3.432 10 30 CGEERN CC(C)[C@@H](C#N)Nc1ccc(Br)cc1 ZINC000041049460 344967168 /nfs/dbraw/zinc/96/71/68/344967168.db2.gz PTUREGQUJPBDHY-LLVKDONJSA-N 0 0 253.143 3.409 10 30 CGEERN N#Cc1ccccc1COCCCc1ccncc1 ZINC000034958549 344941465 /nfs/dbraw/zinc/94/14/65/344941465.db2.gz OBBPQEFQZJULNT-UHFFFAOYSA-N 0 0 252.317 3.103 10 30 CGEERN CC[C@H](C#N)C(=O)c1cc(F)cc(Br)c1 ZINC000036915983 344945740 /nfs/dbraw/zinc/94/57/40/344945740.db2.gz YZQLNKQKQVEALC-SSDOTTSWSA-N 0 0 270.101 3.321 10 30 CGEERN CC[C@H](C#N)C(=O)c1ccc(Br)cc1 ZINC000036916005 344945825 /nfs/dbraw/zinc/94/58/25/344945825.db2.gz BPIOZGYARIWRHK-MRVPVSSYSA-N 0 0 252.111 3.182 10 30 CGEERN C[C@@H](C#N)Sc1ccc(Br)cc1N ZINC000043516649 345000235 /nfs/dbraw/zinc/00/02/35/345000235.db2.gz JLUPNLLETGYUIH-LURJTMIESA-N 0 0 257.156 3.035 10 30 CGEERN CC[C@@H](C#N)Nc1ccc(Br)cc1C ZINC000043539142 345000422 /nfs/dbraw/zinc/00/04/22/345000422.db2.gz OGKVTGWWWNXJRB-JTQLQIEISA-N 0 0 253.143 3.472 10 30 CGEERN CC[C@H](C#N)C(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000044825622 345017446 /nfs/dbraw/zinc/01/74/46/345017446.db2.gz ZNQCSSKCICSLGK-VHSXEESVSA-N 0 0 250.729 3.067 10 30 CGEERN N#C[C@H]1CCCC[C@H]1NCc1ccc(F)c(F)c1 ZINC000054827364 345139184 /nfs/dbraw/zinc/13/91/84/345139184.db2.gz GWMOINAUZALRRB-BXUZGUMPSA-N 0 0 250.292 3.137 10 30 CGEERN C[C@H](C#N)NC(=O)c1ccc(C2CCCCC2)cc1 ZINC000068925811 345368254 /nfs/dbraw/zinc/36/82/54/345368254.db2.gz QNBCZKFHZCFGLG-GFCCVEGCSA-N 0 0 256.349 3.376 10 30 CGEERN CC(C)(C)OC(=O)n1ccc2cc(OC[C@@H]3CO3)ccc21 ZINC000070453499 345390867 /nfs/dbraw/zinc/39/08/67/345390867.db2.gz DMWYQPVYJHIKMG-CYBMUJFWSA-N 0 0 289.331 3.202 10 30 CGEERN N#Cc1cc(F)c(N2C[C@@H]3CC=CC[C@@H]3C2)c(F)c1 ZINC000078370618 345604590 /nfs/dbraw/zinc/60/45/90/345604590.db2.gz VAJVGJGJDQAPHH-TXEJJXNPSA-N 0 0 260.287 3.239 10 30 CGEERN N#Cc1cc(F)ccc1NCc1nc(-c2cccs2)n[nH]1 ZINC000080981248 345694156 /nfs/dbraw/zinc/69/41/56/345694156.db2.gz LYFUEBGFDNBEJU-UHFFFAOYSA-N 0 0 299.334 3.156 10 30 CGEERN CCCCOc1ccc(/C=C(\C)C(=O)NO)cc1OCC ZINC000095818092 345901352 /nfs/dbraw/zinc/90/13/52/345901352.db2.gz NONNWKRJLMCXGB-ZRDIBKRKSA-N 0 0 293.363 3.173 10 30 CGEERN CCC(=O)N(Cc1cccc(O)c1)c1cc(F)cc(C#N)c1 ZINC000114874079 345967508 /nfs/dbraw/zinc/96/75/08/345967508.db2.gz UXVYMLIRNKGLIA-UHFFFAOYSA-N 0 0 298.317 3.346 10 30 CGEERN N#CC[S@@](=O)C(c1ccccc1)c1ccccc1 ZINC000116464200 345978462 /nfs/dbraw/zinc/97/84/62/345978462.db2.gz CKIWWDLKOCDKHX-SFHVURJKSA-N 0 0 255.342 3.048 10 30 CGEERN N#Cc1ccc(Oc2ccc(N)cn2)c(C(F)(F)F)c1 ZINC000117692716 345985739 /nfs/dbraw/zinc/98/57/39/345985739.db2.gz XGXIGNWZTOQLPL-UHFFFAOYSA-N 0 0 279.221 3.347 10 30 CGEERN N#Cc1cc2cc([C@@H](CO)c3ccccc3)ccc2[nH]1 ZINC000118592430 345989808 /nfs/dbraw/zinc/98/98/08/345989808.db2.gz ZNDPHGFBBLDSFV-INIZCTEOSA-N 0 0 262.312 3.164 10 30 CGEERN COc1ccc(/C=N/N=C/c2ccc(C#N)cc2)c(F)c1 ZINC000140571055 346105384 /nfs/dbraw/zinc/10/53/84/346105384.db2.gz FRABEHYKPQLZLG-ROUMAOROSA-N 0 0 281.290 3.159 10 30 CGEERN CSc1ccc([C@@H](O)C#CC2(O)CCCCC2)cc1 ZINC000138240151 346095562 /nfs/dbraw/zinc/09/55/62/346095562.db2.gz SDLMZSNQSGJRHG-HNNXBMFYSA-N 0 0 276.401 3.141 10 30 CGEERN COc1ccc(-c2ccc(C#N)cc2)cc1[C@@H](C)O ZINC000143148991 346112419 /nfs/dbraw/zinc/11/24/19/346112419.db2.gz QWQQOVWLQIMEIO-LLVKDONJSA-N 0 0 253.301 3.287 10 30 CGEERN CCO/C=N/c1nn(CCCc2ccccc2)cc1C#N ZINC000144229471 346117554 /nfs/dbraw/zinc/11/75/54/346117554.db2.gz QSJNHWCBAWUAHZ-QGOAFFKASA-N 0 0 282.347 3.084 10 30 CGEERN C[C@@](C#N)(c1ccc(-c2cnc(N)nc2)cc1)C1CCC1 ZINC000146471266 346123373 /nfs/dbraw/zinc/12/33/73/346123373.db2.gz VYMUMFFFOUCKJP-KRWDZBQOSA-N 0 0 278.359 3.307 10 30 CGEERN COc1ccc(-c2ccc(C#N)cc2)c(F)c1C=O ZINC000146928273 346125146 /nfs/dbraw/zinc/12/51/46/346125146.db2.gz DVRKTNHLBRNDBA-UHFFFAOYSA-N 0 0 255.248 3.185 10 30 CGEERN COC(=O)c1c(C#N)ccc(C(F)(F)F)c1C(F)(F)F ZINC000149415586 346130876 /nfs/dbraw/zinc/13/08/76/346130876.db2.gz NBYBZNOHVPWBBD-UHFFFAOYSA-N 0 0 297.154 3.382 10 30 CGEERN C#CCCCNc1cc(Br)ccc1F ZINC000163058533 346180576 /nfs/dbraw/zinc/18/05/76/346180576.db2.gz ZZNZVTKGGOZFFN-UHFFFAOYSA-N 0 0 256.118 3.414 10 30 CGEERN Cc1ccc(C(=O)C[C@H](C)C#N)cc1Br ZINC000164931627 346183352 /nfs/dbraw/zinc/18/33/52/346183352.db2.gz IPPVAHXWBHOQGV-QMMMGPOBSA-N 0 0 266.138 3.490 10 30 CGEERN CC#CCC(=O)c1ccc(F)c(Br)c1 ZINC000169229772 346192165 /nfs/dbraw/zinc/19/21/65/346192165.db2.gz PDEJNFBALRGGDT-UHFFFAOYSA-N 0 0 255.086 3.184 10 30 CGEERN C=CC[C@@](CC)(COC(=O)c1ccccc1)C(C)=O ZINC000217721611 346290796 /nfs/dbraw/zinc/29/07/96/346290796.db2.gz WERDVLJQWFFOBD-INIZCTEOSA-N 0 0 260.333 3.405 10 30 CGEERN CC#CC[C@H](O)c1cccc(C)c1Br ZINC000232568969 346327075 /nfs/dbraw/zinc/32/70/75/346327075.db2.gz PVHOCSZUODNUEU-NSHDSACASA-N 0 0 253.139 3.204 10 30 CGEERN C=C(Br)CNc1nc(Cl)ncc1Cl ZINC000229316161 346317111 /nfs/dbraw/zinc/31/71/11/346317111.db2.gz IBJDWPCLOQRESP-UHFFFAOYSA-N 0 0 282.956 3.104 10 30 CGEERN C[C@H](C#N)Nc1ccc(Br)c(Cl)c1 ZINC000232194985 346324619 /nfs/dbraw/zinc/32/46/19/346324619.db2.gz TUOMGJLZQJCDAY-ZCFIWIBFSA-N 0 0 259.534 3.426 10 30 CGEERN CC#CC[C@@H](O)c1cccc(Br)c1F ZINC000232561059 346326302 /nfs/dbraw/zinc/32/63/02/346326302.db2.gz AQPYHTBVHMFSPC-SNVBAGLBSA-N 0 0 257.102 3.035 10 30 CGEERN C=C[C@H](C)Nc1cc(C)c(N)cc1Br ZINC000235533313 346336342 /nfs/dbraw/zinc/33/63/42/346336342.db2.gz CTIXATFZNNWSRJ-QMMMGPOBSA-N 0 0 255.159 3.326 10 30 CGEERN C#CCSc1cc(Cl)c(N)cc1Br ZINC000306287499 346452408 /nfs/dbraw/zinc/45/24/08/346452408.db2.gz HNUYTBRHOFUBTL-UHFFFAOYSA-N 0 0 276.586 3.410 10 30 CGEERN CC(C)(C#N)c1ncc(Cl)cc1Br ZINC000306366802 346453855 /nfs/dbraw/zinc/45/38/55/346453855.db2.gz GCDFBYBYXSNFGJ-UHFFFAOYSA-N 0 0 259.534 3.299 10 30 CGEERN CC(C)N(Cc1ccccc1)C(=O)CCCS ZINC000307717990 346464959 /nfs/dbraw/zinc/46/49/59/346464959.db2.gz KOQNEIIKKRWLAS-UHFFFAOYSA-N 0 0 251.395 3.134 10 30 CGEERN N#CCc1c(O)cc(C(F)(F)F)cc1C(F)(F)F ZINC000514261887 346636152 /nfs/dbraw/zinc/63/61/52/346636152.db2.gz KIGWYNYKVRWHGD-UHFFFAOYSA-N 0 0 269.144 3.496 10 30 CGEERN N#CCc1ccc(O)c(C(F)(F)F)c1C(F)(F)F ZINC000514263370 346636224 /nfs/dbraw/zinc/63/62/24/346636224.db2.gz SOKWIFPQTCARGC-UHFFFAOYSA-N 0 0 269.144 3.496 10 30 CGEERN N#CCc1cc(O)c(C(F)(F)F)cc1C(F)(F)F ZINC000514263085 346636503 /nfs/dbraw/zinc/63/65/03/346636503.db2.gz XIFNVZWYKJMKKS-UHFFFAOYSA-N 0 0 269.144 3.496 10 30 CGEERN C=CCOc1ccc(O[C@@H]2CCCCO2)cc1OC(C)=O ZINC000584650920 346704313 /nfs/dbraw/zinc/70/43/13/346704313.db2.gz GBUMJGOSCRRERZ-MRXNPFEDSA-N 0 0 292.331 3.082 10 30 CGEERN Cc1c([N+](=O)[O-])c(C(C)C)nn1Cc1ccc(C#N)cc1 ZINC000584599145 346689194 /nfs/dbraw/zinc/68/91/94/346689194.db2.gz OWZVUWQKLKGBRL-UHFFFAOYSA-N 0 0 284.319 3.143 10 30 CGEERN C=C(C(=O)OC)[C@H](F)c1ccccc1Br ZINC000584610842 346691994 /nfs/dbraw/zinc/69/19/94/346691994.db2.gz HQRCQNLHLBVNLS-JTQLQIEISA-N 0 0 273.101 3.189 10 30 CGEERN COc1cnc(C#N)cc1-c1ccc(C(F)(F)F)nc1 ZINC000584613188 346693002 /nfs/dbraw/zinc/69/30/02/346693002.db2.gz MOHOTWQGEVSNGJ-UHFFFAOYSA-N 0 0 279.221 3.043 10 30 CGEERN C[C@@]12COC[C@H]1[C@@H]1CCC3=CC(=O)CC[C@@H]3[C@H]1CC2 ZINC000584617901 346694439 /nfs/dbraw/zinc/69/44/39/346694439.db2.gz ZHHKBPUNAZPJLU-JZAWBGDQSA-N 0 0 260.377 3.365 10 30 CGEERN C[C@]1(O)C=CC(=O)[C@H](c2ccc(-c3ccccc3)cc2)O1 ZINC000584625878 346697141 /nfs/dbraw/zinc/69/71/41/346697141.db2.gz XIYKUJUSGRHODB-ZWKOTPCHSA-N 0 0 280.323 3.259 10 30 CGEERN CC1(C)Cc2[nH]c(-c3ccncc3C#N)cc2C(=O)C1 ZINC000584633596 346699646 /nfs/dbraw/zinc/69/96/46/346699646.db2.gz VAJQKJMFATXZHR-UHFFFAOYSA-N 0 0 265.316 3.103 10 30 CGEERN C[C@H](C#N)NC(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000599186804 347724692 /nfs/dbraw/zinc/72/46/92/347724692.db2.gz CEMYXQJEKUBATR-ZCFIWIBFSA-N 0 0 276.645 3.001 10 30 CGEERN N#Cc1cc(CN2CCCC[C@H]2c2nccs2)ccn1 ZINC000610992190 348414776 /nfs/dbraw/zinc/41/47/76/348414776.db2.gz JYDQXDHPORLZEW-AWEZNQCLSA-N 0 0 284.388 3.137 10 30 CGEERN N#Cc1cccc([C@H]2CCc3ccccc3N2CCO)c1 ZINC000616667808 348860425 /nfs/dbraw/zinc/86/04/25/348860425.db2.gz DTIPNWGNLFWHRL-GOSISDBHSA-N 0 0 278.355 3.044 10 30 CGEERN CSc1nc(C)c(C(C)=O)c(-c2cccnc2)c1C#N ZINC000090562793 180004705 /nfs/dbraw/zinc/00/47/05/180004705.db2.gz RWZBVJBMTCTHRJ-UHFFFAOYSA-N 0 0 283.356 3.248 10 30 CGEERN C=CCN(C)C(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000153531468 188087362 /nfs/dbraw/zinc/08/73/62/188087362.db2.gz WHRCSYDXOXBNAK-JTQLQIEISA-N 0 0 252.745 3.228 10 30 CGEERN C=C(C)CNC(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000156727749 188278098 /nfs/dbraw/zinc/27/80/98/188278098.db2.gz OWQMEDQDOZIYJB-JTQLQIEISA-N 0 0 252.745 3.276 10 30 CGEERN N#Cc1ccc(-c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000091365880 283118783 /nfs/dbraw/zinc/11/87/83/283118783.db2.gz KMBIKHPJMIOEPG-UHFFFAOYSA-N 0 0 264.244 3.010 10 30 CGEERN CO[C@H]1CCC[C@H](Nc2cc(C#N)nc3ccccc32)C1 ZINC000301784640 201196810 /nfs/dbraw/zinc/19/68/10/201196810.db2.gz OWJJZWAFTAPYTH-JSGCOSHPSA-N 0 0 281.359 3.476 10 30 CGEERN Cc1cc(N(C)CCCOc2ccccc2)c(C#N)c(C)n1 ZINC000301797903 201204223 /nfs/dbraw/zinc/20/42/23/201204223.db2.gz UQBSXIIKCTXBPT-UHFFFAOYSA-N 0 0 295.386 3.475 10 30 CGEERN CO[C@@H]1CCC[C@@H](Nc2cc(C#N)nc3ccccc32)C1 ZINC000301784642 201195505 /nfs/dbraw/zinc/19/55/05/201195505.db2.gz OWJJZWAFTAPYTH-TZMCWYRMSA-N 0 0 281.359 3.476 10 30 CGEERN CO[C@@H]1CCC[C@H](Nc2cc(C#N)nc3ccccc32)C1 ZINC000301784639 201195574 /nfs/dbraw/zinc/19/55/74/201195574.db2.gz OWJJZWAFTAPYTH-GXTWGEPZSA-N 0 0 281.359 3.476 10 30 CGEERN C[C@@H](Nc1cc(C#N)c2cc(Cl)ccc2n1)c1nc[nH]n1 ZINC000302078981 201335259 /nfs/dbraw/zinc/33/52/59/201335259.db2.gz ZKUUYIIVHSVYFM-MRVPVSSYSA-N 0 0 298.737 3.051 10 30 CGEERN Cc1ccc([C@H](C)NC(=O)c2c(F)cc(C#N)cc2F)o1 ZINC000120035759 370735058 /nfs/dbraw/zinc/73/50/58/370735058.db2.gz NKAOEISGODDGFK-VIFPVBQESA-N 0 0 290.269 3.229 10 30 CGEERN O=C(c1c[nH]c2ccccc21)[C@@H]1O[C@H]1c1ccccc1 ZINC000015016984 368687956 /nfs/dbraw/zinc/68/79/56/368687956.db2.gz AFOMLHLQSZZDNB-IRXDYDNUSA-N 0 0 263.296 3.491 10 30 CGEERN N#Cc1cc2cc[nH]c(=O)c2c2cc(Cl)ccc12 ZINC000028955767 368890028 /nfs/dbraw/zinc/89/00/28/368890028.db2.gz RDBJNHHSUYNJDR-UHFFFAOYSA-N 0 0 254.676 3.206 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccccc1Cl ZINC000061889422 369611068 /nfs/dbraw/zinc/61/10/68/369611068.db2.gz YQHVSKPLCFOOHC-ONGXEEELSA-N 0 0 263.728 3.154 10 30 CGEERN CC(C)(C)OC(=O)N[C@H]1CCCCCC[C@H]1C=O ZINC000098096017 370264362 /nfs/dbraw/zinc/26/43/62/370264362.db2.gz LLWDJVHCIKCLMB-RYUDHWBXSA-N 0 0 255.358 3.049 10 30 CGEERN Cc1cc(C=O)cc(C)c1Oc1ccc(C#N)cn1 ZINC000098180831 370268975 /nfs/dbraw/zinc/26/89/75/370268975.db2.gz VNAIVEBGPHRORJ-UHFFFAOYSA-N 0 0 252.273 3.175 10 30 CGEERN COCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000103538045 370332178 /nfs/dbraw/zinc/33/21/78/370332178.db2.gz BUMPRWDQDDCZSI-UHFFFAOYSA-N 0 0 278.114 3.491 10 30 CGEERN C=CCCC(=O)N(C)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000134128978 371306308 /nfs/dbraw/zinc/30/63/08/371306308.db2.gz QXWOSTZJQKIXMR-UONOGXRCSA-N 0 0 265.397 3.149 10 30 CGEERN CC(C)(C)[C@H](O)CNc1ccc(C(F)(F)F)c(C#N)c1 ZINC000166603826 372578823 /nfs/dbraw/zinc/57/88/23/372578823.db2.gz CMKHJWJPCZLGEJ-GFCCVEGCSA-N 0 0 286.297 3.396 10 30 CGEERN C=CCCCN(C)C(=O)N[C@H](C)COCc1ccccc1 ZINC000174131444 373255578 /nfs/dbraw/zinc/25/55/78/373255578.db2.gz MDPKICCUFCNBRE-OAHLLOKOSA-N 0 0 290.407 3.199 10 30 CGEERN N#CCCCCNC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000176325379 373582925 /nfs/dbraw/zinc/58/29/25/373582925.db2.gz JBJLHKWMMSEGKL-GFCCVEGCSA-N 0 0 292.408 3.074 10 30 CGEERN Cn1cc([C@H]2CCCN2CC#Cc2ccc(Cl)cc2)cn1 ZINC000177118519 373656242 /nfs/dbraw/zinc/65/62/42/373656242.db2.gz XAAHGWBGJHKMBH-QGZVFWFLSA-N 0 0 299.805 3.262 10 30 CGEERN N#Cc1ccc(N2CCC[C@H](COc3ccccc3)C2)nc1 ZINC000301260327 373717221 /nfs/dbraw/zinc/71/72/21/373717221.db2.gz CVWLTXQZFYETOY-INIZCTEOSA-N 0 0 293.370 3.249 10 30 CGEERN N#Cc1cccc(N2CCC(Nc3ccccc3F)CC2)n1 ZINC000301403738 373772108 /nfs/dbraw/zinc/77/21/08/373772108.db2.gz FBOPDISZZZBNKH-UHFFFAOYSA-N 0 0 296.349 3.173 10 30 CGEERN Cc1c(C#N)cccc1NC(=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000178383318 373772888 /nfs/dbraw/zinc/77/28/88/373772888.db2.gz CABPGVMENAVDFP-SJKOYZFVSA-N 0 0 292.338 3.370 10 30 CGEERN N#Cc1ccc([N+](=O)[O-])c(Oc2ccc3c(c2)CCC3=O)c1 ZINC000302536946 373890817 /nfs/dbraw/zinc/89/08/17/373890817.db2.gz MRNIFCPDRYEQIX-UHFFFAOYSA-N 0 0 294.266 3.388 10 30 CGEERN Cc1cc(NCC[C@@](C)(O)c2ccccc2)c(C#N)c(C)n1 ZINC000302411026 373864081 /nfs/dbraw/zinc/86/40/81/373864081.db2.gz LOWFWIGYRLFBGJ-GOSISDBHSA-N 0 0 295.386 3.280 10 30 CGEERN N#CCNc1nn2cc(-c3ccc(Cl)cc3)nc2s1 ZINC000302769783 373956646 /nfs/dbraw/zinc/95/66/46/373956646.db2.gz MQWVNTFTAXQFEE-UHFFFAOYSA-N 0 0 289.751 3.047 10 30 CGEERN O=C(NCc1noc(C2CC2)n1)[C@@H]1CCc2ccccc21 ZINC000328953088 374396488 /nfs/dbraw/zinc/39/64/88/374396488.db2.gz MHHLZNIOIQOVIG-CYBMUJFWSA-N 0 0 283.331 3.134 10 30 CGEERN CC(C)[C@@H]1CCCN1C(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000328735032 374379340 /nfs/dbraw/zinc/37/93/40/374379340.db2.gz IUTQOQPDWBEZPE-STQMWFEESA-N 0 0 293.411 3.062 10 30 CGEERN COc1ccc([C@H](C)C(=O)N[C@H]2CCc3c[nH]nc3C2)cc1 ZINC000329882591 374438718 /nfs/dbraw/zinc/43/87/18/374438718.db2.gz QCBIGKHCPKGXBG-FZMZJTMJSA-N 0 0 299.374 3.036 10 30 CGEERN N#Cc1ncc(Br)cc1OCc1ccccc1 ZINC000261506897 190039935 /nfs/dbraw/zinc/03/99/35/190039935.db2.gz CEPUJZYLEQUYSL-UHFFFAOYSA-N 0 0 289.132 3.295 10 30 CGEERN N#CCc1nc(-c2ccccc2)nn1-c1ccccc1 ZINC000196293935 376120050 /nfs/dbraw/zinc/12/00/50/376120050.db2.gz GQQAXJOLQFYSKK-UHFFFAOYSA-N 0 0 260.300 3.000 10 30 CGEERN COC(=O)c1ccc(C#N)c(C(F)(F)F)c1C(F)F ZINC000575343720 377883695 /nfs/dbraw/zinc/88/36/95/377883695.db2.gz DJWJBIQQZJUWAI-UHFFFAOYSA-N 0 0 279.164 3.301 10 30 CGEERN COC(=O)c1cc(C#N)c(C(F)(F)F)cc1C(F)F ZINC000575344252 377885032 /nfs/dbraw/zinc/88/50/32/377885032.db2.gz YKTRIEMBDADQJX-UHFFFAOYSA-N 0 0 279.164 3.301 10 30 CGEERN COC(=O)Cc1ccc(C#N)c(SC(F)(F)F)c1F ZINC000575390737 377899492 /nfs/dbraw/zinc/89/94/92/377899492.db2.gz WTKYNBVETFVZAN-UHFFFAOYSA-N 0 0 293.241 3.025 10 30 CGEERN CCOC(=O)c1cc(C(F)(F)F)c(Cl)cc1C#N ZINC000575383032 377893694 /nfs/dbraw/zinc/89/36/94/377893694.db2.gz AZLRBKYDRKXYBL-UHFFFAOYSA-N 0 0 277.629 3.407 10 30 CGEERN CCOC(=O)c1c(Cl)ccc(C#N)c1OC(F)(F)F ZINC000575382949 377893834 /nfs/dbraw/zinc/89/38/34/377893834.db2.gz XARDBWMPDJHZRX-UHFFFAOYSA-N 0 0 293.628 3.287 10 30 CGEERN CCOC(=O)c1c(C#N)ccc(C(F)(F)F)c1Cl ZINC000575383206 377893897 /nfs/dbraw/zinc/89/38/97/377893897.db2.gz IRAWFBRZOWIKER-UHFFFAOYSA-N 0 0 277.629 3.407 10 30 CGEERN COC(=O)c1cc(C(F)(F)F)cc(C#N)c1Cl ZINC000575383488 377894126 /nfs/dbraw/zinc/89/41/26/377894126.db2.gz XJPUSIHOHGXSJP-UHFFFAOYSA-N 0 0 263.602 3.017 10 30 CGEERN COC(=O)c1c(C#N)c(OC(F)(F)F)ccc1C(F)F ZINC000575387917 377896366 /nfs/dbraw/zinc/89/63/66/377896366.db2.gz XVKTZDWSMFXVQZ-UHFFFAOYSA-N 0 0 295.163 3.181 10 30 CGEERN COC(=O)Cc1cc(SC(F)(F)F)cc(C#N)c1F ZINC000575390695 377899762 /nfs/dbraw/zinc/89/97/62/377899762.db2.gz RCEIRSQZAKTKNY-UHFFFAOYSA-N 0 0 293.241 3.025 10 30 CGEERN COC(=O)c1c(C#N)ccc(SC(F)(F)F)c1F ZINC000575390746 377899769 /nfs/dbraw/zinc/89/97/69/377899769.db2.gz XIQGKIFYGVSSAL-UHFFFAOYSA-N 0 0 279.214 3.096 10 30 CGEERN C[C@H]1CCC[C@@](C#N)(NC(=O)OC(C)(C)C)CC1 ZINC000575496985 377916438 /nfs/dbraw/zinc/91/64/38/377916438.db2.gz QQOVTBNISITOLK-SMDDNHRTSA-N 0 0 252.358 3.374 10 30 CGEERN CCc1c(C#N)cc(OC(F)(F)F)cc1CC#N ZINC000575647930 377927399 /nfs/dbraw/zinc/92/73/99/377927399.db2.gz LFPZLICJWSUXNP-UHFFFAOYSA-N 0 0 254.211 3.085 10 30 CGEERN CCOc1cc(CC#N)cc(C(F)F)c1OCC ZINC000575651158 377928760 /nfs/dbraw/zinc/92/87/60/377928760.db2.gz QNLRIZKSHQEBMH-UHFFFAOYSA-N 0 0 255.264 3.488 10 30 CGEERN CCOc1c(CC#N)ccc(OC(F)F)c1CC ZINC000575654580 377931718 /nfs/dbraw/zinc/93/17/18/377931718.db2.gz BQRMKSNRDHAIAP-UHFFFAOYSA-N 0 0 255.264 3.315 10 30 CGEERN N#CCc1cc(O)c(C(F)(F)F)cc1OC(F)F ZINC000575661586 377938445 /nfs/dbraw/zinc/93/84/45/377938445.db2.gz JUHVEYMWVNYGNC-UHFFFAOYSA-N 0 0 267.153 3.078 10 30 CGEERN N#CCc1cc([N+](=O)[O-])cc(OC(F)F)c1C(F)(F)F ZINC000575668144 377945111 /nfs/dbraw/zinc/94/51/11/377945111.db2.gz UIZVGAXPJSNOER-UHFFFAOYSA-N 0 0 296.151 3.281 10 30 CGEERN N#CCc1c([N+](=O)[O-])ccc(OC(F)F)c1C(F)(F)F ZINC000575668657 377946022 /nfs/dbraw/zinc/94/60/22/377946022.db2.gz WHNIRUVEKJJAEN-UHFFFAOYSA-N 0 0 296.151 3.281 10 30 CGEERN Cc1ccc(OC(F)F)c(Br)c1CC#N ZINC000575683251 377956966 /nfs/dbraw/zinc/95/69/66/377956966.db2.gz NXDSUTAIHOSKAT-UHFFFAOYSA-N 0 0 276.080 3.425 10 30 CGEERN CCOC(=O)c1cc(C(F)(F)F)c(OCC)cc1C#N ZINC000575671832 377948758 /nfs/dbraw/zinc/94/87/58/377948758.db2.gz YDSYXQYKPUBNGE-UHFFFAOYSA-N 0 0 287.237 3.152 10 30 CGEERN N#Cc1cc(OC(F)F)c(Cl)c(OC(F)F)c1 ZINC000575674084 377949790 /nfs/dbraw/zinc/94/97/90/377949790.db2.gz CLRKNXMXRVTZLH-UHFFFAOYSA-N 0 0 269.581 3.414 10 30 CGEERN N#CCc1c(Cl)cc([N+](=O)[O-])cc1Br ZINC000575676279 377951600 /nfs/dbraw/zinc/95/16/00/377951600.db2.gz DBEALFXUHHZLDH-UHFFFAOYSA-N 0 0 275.489 3.077 10 30 CGEERN N#Cc1cc(F)c(OC(F)F)cc1Br ZINC000575679799 377953917 /nfs/dbraw/zinc/95/39/17/377953917.db2.gz BRTKAFKXAWLYFV-UHFFFAOYSA-N 0 0 266.016 3.061 10 30 CGEERN Fc1cc(OC(F)(F)F)c(F)cc1OC(F)F ZINC000575396785 377903772 /nfs/dbraw/zinc/90/37/72/377903772.db2.gz LVWPJPSKLAPKFM-UHFFFAOYSA-N 0 0 264.096 3.465 10 30 CGEERN N#CCc1c(F)c(Br)ccc1OC(F)F ZINC000575680352 377954650 /nfs/dbraw/zinc/95/46/50/377954650.db2.gz OJSGWZZYBALFAR-UHFFFAOYSA-N 0 0 280.043 3.256 10 30 CGEERN C=CCNc1ccc(I)cc1F ZINC000575493114 377914729 /nfs/dbraw/zinc/91/47/29/377914729.db2.gz PABULQDHMPIAHR-UHFFFAOYSA-N 0 0 277.080 3.028 10 30 CGEERN COc1cc(Br)c(C(F)F)c(CC#N)c1 ZINC000575685905 377960809 /nfs/dbraw/zinc/96/08/09/377960809.db2.gz OKQLHXDJNJNHRU-UHFFFAOYSA-N 0 0 276.080 3.461 10 30 CGEERN COc1ccc(Br)c(C(F)F)c1CC#N ZINC000575686683 377961985 /nfs/dbraw/zinc/96/19/85/377961985.db2.gz QFWCRQJZHDRWPP-UHFFFAOYSA-N 0 0 276.080 3.461 10 30 CGEERN N#CCc1cc([N+](=O)[O-])cc(Br)c1C(F)F ZINC000575688071 377962996 /nfs/dbraw/zinc/96/29/96/377962996.db2.gz XMASREZUMRHYSP-UHFFFAOYSA-N 0 0 291.051 3.361 10 30 CGEERN N#Cc1c(F)ccc(Br)c1OC(F)(F)F ZINC000575689559 377964376 /nfs/dbraw/zinc/96/43/76/377964376.db2.gz RYJVTNNAMNVZKW-UHFFFAOYSA-N 0 0 284.006 3.358 10 30 CGEERN N#CCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1Cl ZINC000575696648 377970315 /nfs/dbraw/zinc/97/03/15/377970315.db2.gz YFNIALAEKKVWSX-UHFFFAOYSA-N 0 0 264.590 3.333 10 30 CGEERN CCC1CCC(c2noc(C3(C#N)CCOCC3)n2)CC1 ZINC000350142801 379516862 /nfs/dbraw/zinc/51/68/62/379516862.db2.gz GGRBVLOXAMVLGR-UHFFFAOYSA-N 0 0 289.379 3.325 10 30 CGEERN CC(C)OCC(C)(C)Nc1cccc(F)c1C#N ZINC000396504938 379922427 /nfs/dbraw/zinc/92/24/27/379922427.db2.gz XNNPNLWDHYTROK-UHFFFAOYSA-N 0 0 250.317 3.313 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1ncsc1-c1ccccc1 ZINC000332691784 542450477 /nfs/dbraw/zinc/45/04/77/542450477.db2.gz UBNKIRLEPCATEX-OLZOCXBDSA-N 0 0 297.383 3.232 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)C1(Cc2ccccc2)CCC1 ZINC000332910242 542451565 /nfs/dbraw/zinc/45/15/65/542451565.db2.gz ISBMRWHKPMBFLQ-HZPDHXFCSA-N 0 0 282.387 3.208 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)N1CC2(CCC2)c2ccccc21 ZINC000332953477 542451625 /nfs/dbraw/zinc/45/16/25/542451625.db2.gz CIDCFALVRBPOTJ-UKRRQHHQSA-N 0 0 295.386 3.330 10 30 CGEERN C#Cc1cccc(N(C(=O)[C@@H]2CCCO[C@@H]2C)C(C)C)c1 ZINC000191772644 533345317 /nfs/dbraw/zinc/34/53/17/533345317.db2.gz QSHIMLMIWHVKON-RHSMWYFYSA-N 0 0 285.387 3.224 10 30 CGEERN C=CCN(CCc1ccccc1)C(=O)[C@H]1CCCO[C@@H]1C ZINC000190446468 130104836 /nfs/dbraw/zinc/10/48/36/130104836.db2.gz PHDOEPHXEIVQQH-WBVHZDCISA-N 0 0 287.403 3.059 10 30 CGEERN C=CCC1(C(=O)N2CCC[C@@H](n3cc(C)cn3)C2)CCC1 ZINC000191348806 130224154 /nfs/dbraw/zinc/22/41/54/130224154.db2.gz BRXQQWACRXAWTD-OAHLLOKOSA-N 0 0 287.407 3.101 10 30 CGEERN Cc1cnn([C@@H]2CCCN(Cc3ccc(C#N)cc3F)C2)c1 ZINC000105900868 392295436 /nfs/dbraw/zinc/29/54/36/392295436.db2.gz ANCMLUZZLFVDJL-MRXNPFEDSA-N 0 0 298.365 3.039 10 30 CGEERN Cn1cc(NC(=O)N2C[C@H]3CCC[C@@H]32)c(-c2ccccc2)n1 ZINC000329549713 392687706 /nfs/dbraw/zinc/68/77/06/392687706.db2.gz PBUJDLRORGGKJN-HIFRSBDPSA-N 0 0 296.374 3.117 10 30 CGEERN CC(C)Cc1ccc([C@@H](C)C(=O)NC[C@H](C)C#N)cc1 ZINC000179248089 392692570 /nfs/dbraw/zinc/69/25/70/392692570.db2.gz ANXYIPSIIBBUSR-ZIAGYGMSSA-N 0 0 272.392 3.264 10 30 CGEERN C=C(C)CN(C)C(=O)N[C@H]1c2cc(C)ccc2C[C@H]1C ZINC000181900876 392737554 /nfs/dbraw/zinc/73/75/54/392737554.db2.gz HGTOYOLFIPMUGC-CZUORRHYSA-N 0 0 272.392 3.446 10 30 CGEERN CC(C)(C)OC(=O)C#Cc1cccc(Br)c1 ZINC000675077781 543313380 /nfs/dbraw/zinc/31/33/80/543313380.db2.gz IOPGYUASFPKYCF-UHFFFAOYSA-N 0 0 281.149 3.142 10 30 CGEERN Cc1cnc([C@H](C)NC(=O)N2CC3(CCC3)[C@@H]2C(C)C)o1 ZINC000330238638 292944774 /nfs/dbraw/zinc/94/47/74/292944774.db2.gz ZXQXLGVGIYBPBK-STQMWFEESA-N 0 0 291.395 3.469 10 30 CGEERN CC(C)[C@H](C)NC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000076544885 165115350 /nfs/dbraw/zinc/11/53/50/165115350.db2.gz QZPWTKFBHKLIKC-VIFPVBQESA-N 0 0 297.305 3.326 10 30 CGEERN CCN(C(=O)[C@H]1CC[C@@H](C)O1)c1ccc(C#N)c(Cl)c1 ZINC000091206838 287106927 /nfs/dbraw/zinc/10/69/27/287106927.db2.gz UXINUWHRBZJNEY-QMTHXVAHSA-N 0 0 292.766 3.132 10 30 CGEERN COc1ccc(C(C)N=Nc2nncc3ccccc32)cc1 ZINC000005119698 170068131 /nfs/dbraw/zinc/06/81/31/170068131.db2.gz NGPIFBUOEAGNCR-XDHOZWIPSA-N 0 0 292.342 3.475 10 30 CGEERN CC(N=Nc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000005163139 170072768 /nfs/dbraw/zinc/07/27/68/170072768.db2.gz YNWQSBRMOWSMJT-MHWRWJLKSA-N 0 0 299.286 3.160 10 30 CGEERN Cc1[nH]c2ccccc2c1CN=Nc1ccccn1 ZINC000005330512 170086379 /nfs/dbraw/zinc/08/63/79/170086379.db2.gz DVKPORJNYNDWEZ-LICLKQGHSA-N 0 0 250.305 3.317 10 30 CGEERN C=C[C@H]([C@H](O)c1ccc(C)cc1)n1nc2ccccc2n1 ZINC000005416583 170096455 /nfs/dbraw/zinc/09/64/55/170096455.db2.gz HWKWPDMESBOERX-IAGOWNOFSA-N 0 0 279.343 3.200 10 30 CGEERN C/C(=N/OC(=O)c1ccc(F)cc1)c1cccs1 ZINC000008554234 170339958 /nfs/dbraw/zinc/33/99/58/170339958.db2.gz OKCRTOYTVWZWIC-DHDCSXOGSA-N 0 0 263.293 3.468 10 30 CGEERN Cc1ccccc1CC(=O)N(CCC#N)c1ccccc1 ZINC000019802743 170871265 /nfs/dbraw/zinc/87/12/65/170871265.db2.gz IMWSWNOXUOISMZ-UHFFFAOYSA-N 0 0 278.355 3.484 10 30 CGEERN CC[C@@H]1CCCC[C@H]1OCc1ccccc1/C(N)=N/O ZINC000019808427 170877415 /nfs/dbraw/zinc/87/74/15/170877415.db2.gz INXNVLZXQDJYMK-IUODEOHRSA-N 0 0 276.380 3.267 10 30 CGEERN CN(C)c1ccc([C@H](C#N)NCc2ccccc2)cc1 ZINC000020174637 171041476 /nfs/dbraw/zinc/04/14/76/171041476.db2.gz VTVVSGTVQLRHTR-KRWDZBQOSA-N 0 0 265.360 3.107 10 30 CGEERN N#CCCCNc1ccccc1I ZINC000020359034 171158211 /nfs/dbraw/zinc/15/82/11/171158211.db2.gz DGSHUYGRHSWBIS-UHFFFAOYSA-N 0 0 286.116 3.007 10 30 CGEERN COc1c(C)cccc1C(=O)Nc1ccc(CC#N)cc1 ZINC000020978376 171282700 /nfs/dbraw/zinc/28/27/00/171282700.db2.gz XSRVLRPLEWWLEY-UHFFFAOYSA-N 0 0 280.327 3.322 10 30 CGEERN C#Cc1cccc(N[C@H](C)C(=O)Nc2ccc(C)cc2)c1 ZINC000029456843 171598807 /nfs/dbraw/zinc/59/88/07/171598807.db2.gz YVPVXICCYAKHRL-CQSZACIVSA-N 0 0 278.355 3.415 10 30 CGEERN CCNc1oc(COc2c(C)cc(C)cc2C)nc1C#N ZINC000033701551 171818247 /nfs/dbraw/zinc/81/82/47/171818247.db2.gz TUCWBKANLRJOLW-UHFFFAOYSA-N 0 0 285.347 3.482 10 30 CGEERN N#CCc1ccc(OCCOc2ccc(F)cc2)cc1 ZINC000034652817 171847600 /nfs/dbraw/zinc/84/76/00/171847600.db2.gz NCMCXBAVEPWTOT-UHFFFAOYSA-N 0 0 271.291 3.350 10 30 CGEERN C=C=CC(C)=Nc1cc(Br)cnc1C ZINC000035570498 172266100 /nfs/dbraw/zinc/26/61/00/172266100.db2.gz MTEKHMGDOYOWDC-VMPITWQZSA-N 0 0 251.127 3.101 10 30 CGEERN C[C@@H](O)c1ccccc1OCc1ccccc1C#N ZINC000035627095 172306216 /nfs/dbraw/zinc/30/62/16/172306216.db2.gz VUYCPLGIYJUHPE-GFCCVEGCSA-N 0 0 253.301 3.191 10 30 CGEERN C[C@@H](O[C@H]1CCCCO1)[C@]1(c2ccc(F)cc2F)CO1 ZINC000036469417 172637204 /nfs/dbraw/zinc/63/72/04/172637204.db2.gz PWBIMUAZFIPFKO-ONERCXAPSA-N 0 0 284.302 3.122 10 30 CGEERN N#Cc1cnc2ccccc2c1-n1cc(Br)cn1 ZINC000038054250 174065845 /nfs/dbraw/zinc/06/58/45/174065845.db2.gz HSBVNQDNIFVLCV-UHFFFAOYSA-N 0 0 299.131 3.055 10 30 CGEERN C[C@]1(O)CC(=O)C=C(c2ccc(Cl)cc2Cl)C1 ZINC000040174896 174201087 /nfs/dbraw/zinc/20/10/87/174201087.db2.gz YONKCQFUFNTQQZ-CYBMUJFWSA-N 0 0 271.143 3.491 10 30 CGEERN N#CC1(NC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)CCCCC1 ZINC000040215355 174204330 /nfs/dbraw/zinc/20/43/30/174204330.db2.gz FIVWRTLKJNNFRM-MJBXVCDLSA-N 0 0 260.381 3.155 10 30 CGEERN CCC[C@H](C#N)NC(=O)Nc1ccc(Cl)cc1 ZINC000040220739 174206814 /nfs/dbraw/zinc/20/68/14/174206814.db2.gz HJUGNVGIFSEOCQ-LLVKDONJSA-N 0 0 251.717 3.154 10 30 CGEERN CC[C@@H](C)Oc1ccc2cc(C#CCO)ccc2c1 ZINC000042477760 174756060 /nfs/dbraw/zinc/75/60/60/174756060.db2.gz FXTQSQQGPZIKIP-CYBMUJFWSA-N 0 0 254.329 3.361 10 30 CGEERN Cc1ccc(/C(N)=N/O)c(Oc2cccc(C(C)C)c2)n1 ZINC000043400498 175036553 /nfs/dbraw/zinc/03/65/53/175036553.db2.gz YUSIOADKIHGYLD-UHFFFAOYSA-N 0 0 285.347 3.400 10 30 CGEERN COc1cccc([C@@H](C#N)C(=O)c2ccoc2C)c1 ZINC000044375098 175168739 /nfs/dbraw/zinc/16/87/39/175168739.db2.gz RWZJRUUNZRROBT-CQSZACIVSA-N 0 0 255.273 3.087 10 30 CGEERN N#Cc1sc(N)nc1-c1ccc(Br)s1 ZINC000076497696 177029573 /nfs/dbraw/zinc/02/95/73/177029573.db2.gz ROMIENMJEFBXJW-UHFFFAOYSA-N 0 0 286.179 3.088 10 30 CGEERN N#Cc1nccn1Cc1ncc(-c2ccccc2Cl)o1 ZINC000179858849 224667677 /nfs/dbraw/zinc/66/76/77/224667677.db2.gz ZZQSGAYOGVSRKJ-UHFFFAOYSA-N 0 0 284.706 3.111 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)Cc1c(Cl)cccc1Cl ZINC000335295977 226236791 /nfs/dbraw/zinc/23/67/91/226236791.db2.gz MMCZOTJCBBRSQV-NOZJJQNGSA-N 0 0 297.185 3.344 10 30 CGEERN Cc1ncccc1NC(=O)C[C@@H]1CCCCNC1=O ZINC000329815035 227957243 /nfs/dbraw/zinc/95/72/43/227957243.db2.gz DJHBWWYRHPJVHP-NSHDSACASA-N 0 0 261.325 3.125 10 30 CGEERN O=C(NC[C@@H]1CCC[C@@H]1O)N[C@@H]1CCCCC12CCCC2 ZINC000329823413 227960674 /nfs/dbraw/zinc/96/06/74/227960674.db2.gz QFIINAQTQFDLTF-SOUVJXGZSA-N 0 0 294.439 3.154 10 30 CGEERN C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@H]2CCc3ccccc32)C1 ZINC000408004522 260169452 /nfs/dbraw/zinc/16/94/52/260169452.db2.gz MKWPYRHTLVJLIC-RPVQJOFSSA-N 0 0 282.387 3.305 10 30 CGEERN Cc1ccc([C@@H](C)OC(=O)C(C)(C)C#N)cc1[N+](=O)[O-] ZINC000084809895 260368273 /nfs/dbraw/zinc/36/82/73/260368273.db2.gz KXSORNJMDLLTLQ-SNVBAGLBSA-N 0 0 276.292 3.057 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000408330217 260798966 /nfs/dbraw/zinc/79/89/66/260798966.db2.gz LPKYQKYEIBKGJF-AJNGGQMLSA-N 0 0 260.381 3.011 10 30 CGEERN N#CC1(NC(=O)c2ccc(-n3cccc3)c(F)c2)CCCC1 ZINC000104525247 261296435 /nfs/dbraw/zinc/29/64/35/261296435.db2.gz PXZBXNOTPMBONO-UHFFFAOYSA-N 0 0 297.333 3.183 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1ccc2ccccc2c1 ZINC000061889284 262405093 /nfs/dbraw/zinc/40/50/93/262405093.db2.gz VXSXGNSSBXEWSJ-CVEARBPZSA-N 0 0 264.328 3.262 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)Cc1cccc2ccccc21 ZINC000061889291 262405262 /nfs/dbraw/zinc/40/52/62/262405262.db2.gz PHUPLUKTTVDHTE-NVXWUHKLSA-N 0 0 278.355 3.191 10 30 CGEERN CN(CCC#N)c1ccc2c(Cl)ccnc2c1F ZINC000301738130 263286617 /nfs/dbraw/zinc/28/66/17/263286617.db2.gz SHIWTDNYTWGYPY-UHFFFAOYSA-N 0 0 263.703 3.377 10 30 CGEERN C[C@H](NC(=O)C[C@H]1CCCCNC1=O)c1cccnc1 ZINC000328765713 263858433 /nfs/dbraw/zinc/85/84/33/263858433.db2.gz GWSXOSOKOMYZDX-NWDGAFQWSA-N 0 0 275.352 3.246 10 30 CGEERN C=CCC[C@H](NCc1nnc(C2CC2)n1C)c1ccccc1 ZINC000180035615 264390145 /nfs/dbraw/zinc/39/01/45/264390145.db2.gz AGLVKCIVWOGGFA-INIZCTEOSA-N 0 0 296.418 3.490 10 30 CGEERN CCn1c(C)nnc1CS[C@@H](C)c1ccc(C#N)cc1 ZINC000179834320 276711176 /nfs/dbraw/zinc/71/11/76/276711176.db2.gz PORPEFCOOOXJIJ-NSHDSACASA-N 0 0 286.404 3.473 10 30 CGEERN CC(C)c1ccc(C(=O)N[C@@H]2CCC[C@H]2C#N)cc1 ZINC000061889069 278031367 /nfs/dbraw/zinc/03/13/67/278031367.db2.gz GNMOUHLMEXRAOR-LSDHHAIUSA-N 0 0 256.349 3.232 10 30 CGEERN Cc1sc(N)c(C#N)c1-c1ccc([N+](=O)[O-])cc1 ZINC000035924161 279284276 /nfs/dbraw/zinc/28/42/76/279284276.db2.gz JZNUVJNIILMXRI-UHFFFAOYSA-N 0 0 259.290 3.086 10 30 CGEERN CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)[C@@]1(C)CCCNC1=O ZINC000330246393 280079570 /nfs/dbraw/zinc/07/95/70/280079570.db2.gz LFLFSGNCZWPHLN-WWGRRREGSA-N 0 0 296.411 3.151 10 30 CGEERN Cc1cc(C#N)cc(N[C@H]2CCOc3ccccc32)n1 ZINC000161040332 280315488 /nfs/dbraw/zinc/31/54/88/280315488.db2.gz QTXQDZMRKDRUNS-AWEZNQCLSA-N 0 0 265.316 3.197 10 30 CGEERN Cc1cc(C)c2ncc(C#N)c(N[C@@H]3CCO[C@H]3C)c2c1 ZINC000301853171 280412585 /nfs/dbraw/zinc/41/25/85/280412585.db2.gz ACKZWBQAILELBH-SWLSCSKDSA-N 0 0 281.359 3.313 10 30 CGEERN N#C[C@]1(c2cccc(Br)c2)CC1(F)F ZINC000039325689 294856590 /nfs/dbraw/zinc/85/65/90/294856590.db2.gz LJFHIXQBKUXFFP-VIFPVBQESA-N 0 0 258.065 3.249 10 30 CGEERN O/N=C1\CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000095829241 295390505 /nfs/dbraw/zinc/39/05/05/295390505.db2.gz OUPRRQJFXORULA-MHWRWJLKSA-N 0 0 262.309 3.464 10 30 CGEERN O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N[C@@H]1CCCC[C@@H]1O ZINC000329160249 303512237 /nfs/dbraw/zinc/51/22/37/303512237.db2.gz DRQRCULDNZEUEC-GCSSGZNBSA-N 0 0 294.439 3.152 10 30 CGEERN Cc1c(Cl)cccc1C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000219678766 329171779 /nfs/dbraw/zinc/17/17/79/329171779.db2.gz LAMWTBNKUOJRBY-MFKMUULPSA-N 0 0 262.740 3.071 10 30 CGEERN N#C[C@H]1CCC[C@H]1NCc1cccc(Cl)c1F ZINC000168913976 329062093 /nfs/dbraw/zinc/06/20/93/329062093.db2.gz PIPPKFCHGMNCIP-BXKDBHETSA-N 0 0 252.720 3.261 10 30 CGEERN C#CCCCCC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000180025595 329214539 /nfs/dbraw/zinc/21/45/39/329214539.db2.gz OHXHMIKNIMZYOR-CYBMUJFWSA-N 0 0 276.405 3.043 10 30 CGEERN C[C@@H]1C[C@@H](C(=O)NCCCCC#N)CC(C)(C)C1 ZINC000180053379 329215037 /nfs/dbraw/zinc/21/50/37/329215037.db2.gz KMYDILGGFBUYKB-CHWSQXEVSA-N 0 0 250.386 3.259 10 30 CGEERN C=C(C)C[C@@H](C)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000185972569 329337724 /nfs/dbraw/zinc/33/77/24/329337724.db2.gz SBIKORWVEXMHOZ-LLVKDONJSA-N 0 0 271.320 3.277 10 30 CGEERN Cc1ccc(Cl)cc1C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000228454113 329341557 /nfs/dbraw/zinc/34/15/57/329341557.db2.gz KDEZIRJHUXPBOS-ZWNOBZJWSA-N 0 0 262.740 3.071 10 30 CGEERN Cc1cccc2c1OCC[C@@H]2NC(=O)C1(C#N)CCCC1 ZINC000189945473 329390417 /nfs/dbraw/zinc/39/04/17/329390417.db2.gz SIXYOVAGSAYZCB-AWEZNQCLSA-N 0 0 284.359 3.019 10 30 CGEERN C=CCCC(=O)N(C)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000134129415 329657120 /nfs/dbraw/zinc/65/71/20/329657120.db2.gz QXWOSTZJQKIXMR-ZIAGYGMSSA-N 0 0 265.397 3.149 10 30 CGEERN C=CC[C@H](C(=O)NC[C@H]1CCCC[C@H]1O)c1ccccc1 ZINC000249599506 334337785 /nfs/dbraw/zinc/33/77/85/334337785.db2.gz XUCKORUHNJDVIV-IXDOHACOSA-N 0 0 287.403 3.014 10 30 CGEERN C[C@H](NC(=O)c1c[nH]c(C#N)c1)c1ccc(F)c(Cl)c1 ZINC000181248842 335755694 /nfs/dbraw/zinc/75/56/94/335755694.db2.gz HKIIQVASGHBRJK-QMMMGPOBSA-N 0 0 291.713 3.170 10 30 CGEERN O=C(C[C@H]1CCCCNC1=O)Nc1ccc2[nH]cnc2c1 ZINC000329086915 534338385 /nfs/dbraw/zinc/33/83/85/534338385.db2.gz UYXUJQPHDCSXBT-SNVBAGLBSA-N 0 0 286.335 3.298 10 30 CGEERN C=C(C)[C@@H](NC(=O)C[C@H](O)C(C)C)c1ccc(F)c(F)c1 ZINC000184841474 518643066 /nfs/dbraw/zinc/64/30/66/518643066.db2.gz VVZOTHRHKJIUFT-GOEBONIOSA-N 0 0 297.345 3.105 10 30 CGEERN Cc1ocnc1CNC(=O)[C@@H]1CCc2ccccc21 ZINC000329059324 534588765 /nfs/dbraw/zinc/58/87/65/534588765.db2.gz YSMGTOORZMNZLH-CYBMUJFWSA-N 0 0 256.305 3.170 10 30 CGEERN CN(CCC#N)CC(=O)c1cc(Cl)ccc1Cl ZINC000049136033 522674004 /nfs/dbraw/zinc/67/40/04/522674004.db2.gz KYKYUIXIHBURQA-UHFFFAOYSA-N 0 0 271.147 3.022 10 30 CGEERN C[C@H](Nc1cc(Cl)ccc1C#N)[C@H]1CCCO1 ZINC000062785285 525644277 /nfs/dbraw/zinc/64/42/77/525644277.db2.gz ZNZOWMUNKWPTSA-TVQRCGJNSA-N 0 0 250.729 3.191 10 30 CGEERN N#Cc1ccc(Cl)cc1Oc1ccc(N)cc1C#N ZINC000062785711 526636288 /nfs/dbraw/zinc/63/62/88/526636288.db2.gz QHHFLPOOFNBSAT-UHFFFAOYSA-N 0 0 269.691 3.458 10 30 CGEERN Cc1nc(Cl)cc(Oc2ccc(CC#N)cc2)n1 ZINC000052835072 526935646 /nfs/dbraw/zinc/93/56/46/526935646.db2.gz FDWQDTIXQLXHAH-UHFFFAOYSA-N 0 0 259.696 3.297 10 30 CGEERN COc1ccc(C#N)cc1CN[C@@H](C)c1ccc(C)o1 ZINC000130259904 536645187 /nfs/dbraw/zinc/64/51/87/536645187.db2.gz OMVMJKHOEPHZQZ-LBPRGKRZSA-N 0 0 270.332 3.319 10 30 CGEERN C=C(C)[C@@H](O)Cc1c(O)cc(CCc2ccccc2)cc1O ZINC000000899131 560179378 /nfs/dbraw/zinc/17/93/78/560179378.db2.gz NOPHUFYTJFIALJ-KRWDZBQOSA-N 0 0 298.382 3.363 10 30 in-vitro CGEERN C[C@]12CC[C@@H]3c4ccc(O)cc4CC=C3[C@@H]1C/C(=N\O)C2=O ZINC000004896547 560200223 /nfs/dbraw/zinc/20/02/23/560200223.db2.gz MEBIIZZKMNMOCQ-LDKZRRNGSA-N 0 0 297.354 3.178 10 30 in-vitro CGEERN CCOc1cccc(/C=N\[C@H]2COc3ccccc32)c1O ZINC000254968115 617701377 /nfs/dbraw/zinc/70/13/77/617701377.db2.gz BZMXEUYMZFRMHM-KPYNCUPYSA-N 0 0 283.327 3.344 10 30 CGEERN C#C[C@H](C)OC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000246529623 618722864 /nfs/dbraw/zinc/72/28/64/618722864.db2.gz IQHHMMHIDZFXEX-XDTLVQLUSA-N 0 0 293.160 3.118 10 30 CGEERN O=C(/C=C\c1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000083309652 618761672 /nfs/dbraw/zinc/76/16/72/618761672.db2.gz NKEBZGTYGRCRQA-UTCJRWHESA-N 0 0 251.669 3.241 10 30 CGEERN COc1cccc2cc(CN[C@@H]3CCC[C@@H]3C#N)oc21 ZINC000061892182 623186576 /nfs/dbraw/zinc/18/65/76/623186576.db2.gz NRCJSAGFDOWKSK-TZMCWYRMSA-N 0 0 270.332 3.223 10 30 CGEERN C#CCOc1ccc(F)cc1NC(=O)N[C@@H](C)C(C)C ZINC000173800924 623343145 /nfs/dbraw/zinc/34/31/45/623343145.db2.gz JJUOOWJSVWSPHL-NSHDSACASA-N 0 0 278.327 3.004 10 30 CGEERN C=C(C)COC(=O)[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000174021655 623353541 /nfs/dbraw/zinc/35/35/41/623353541.db2.gz NHSUPOHWFIXASE-CHWSQXEVSA-N 0 0 297.395 3.189 10 30 CGEERN C=CCCC[C@H](C)NS(=O)(=O)/C=C/c1ccccc1 ZINC000180851620 624777189 /nfs/dbraw/zinc/77/71/89/624777189.db2.gz JNDOGNHAULNTEE-FNDVETGQSA-N 0 0 279.405 3.322 10 30 CGEERN COC[C@H](C)C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000103356779 626327650 /nfs/dbraw/zinc/32/76/50/626327650.db2.gz FBHXQDDIJUOQPT-ZDUSSCGKSA-N 0 0 295.338 3.413 10 30 CGEERN CCO[C@@H]1C[C@H](OC(=O)c2ccc(C#N)cc2)C12CCCC2 ZINC000119744126 629706583 /nfs/dbraw/zinc/70/65/83/629706583.db2.gz HFOPJHLGPHFQLI-CVEARBPZSA-N 0 0 299.370 3.453 10 30 CGEERN C=C(Br)CNC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116424958 639042720 /nfs/dbraw/zinc/04/27/20/639042720.db2.gz WBIJTTIPPXMQQH-SNVBAGLBSA-N 0 0 299.168 3.035 10 30 CGEERN C[C@@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)C1CCC1 ZINC000083149720 640596014 /nfs/dbraw/zinc/59/60/14/640596014.db2.gz WDQDAENAPBMLDY-NWDGAFQWSA-N 0 0 273.332 3.057 10 30 CGEERN CCOc1cc(C=NO)ccc1OCc1ccccc1 ZINC000250406720 640813186 /nfs/dbraw/zinc/81/31/86/640813186.db2.gz TVVQTPSJGOWDKY-UHFFFAOYSA-N 0 0 271.316 3.472 10 30 CGEERN C#CC[C@@H](OC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000588447874 799696009 /nfs/dbraw/zinc/69/60/09/799696009.db2.gz TUHFUVWNLHUMRV-LPQFERQCSA-N 0 0 299.326 3.343 10 30 CGEERN CC[C@@H](CC#N)OC(=O)/C=C(/C)c1ccc(F)cc1 ZINC000588558127 799711684 /nfs/dbraw/zinc/71/16/84/799711684.db2.gz UIIIUKOLXHXSIR-BMSUMIBZSA-N 0 0 261.296 3.464 10 30 CGEERN COc1ccc(Cl)cc1C(=O)/C=C\c1cocn1 ZINC000588580957 799716905 /nfs/dbraw/zinc/71/69/05/799716905.db2.gz XQVCVLOKVLFNSZ-ARJAWSKDSA-N 0 0 263.680 3.233 10 30 CGEERN O=C(/C=C\c1cocn1)c1ccc(OC(F)(F)F)cc1 ZINC000588578882 799716997 /nfs/dbraw/zinc/71/69/97/799716997.db2.gz JBVBYEYDRRMWER-UTCJRWHESA-N 0 0 283.205 3.469 10 30 CGEERN Cc1cc(C#N)c2cc(I)ccc2n1 ZINC000082768545 178283693 /nfs/dbraw/zinc/28/36/93/178283693.db2.gz GAMCIPGVRHZLAN-UHFFFAOYSA-N 0 0 294.095 3.020 10 30 CGEERN CCCCOS(=O)(=O)c1cccc2ccccc21 ZINC000096662616 185108936 /nfs/dbraw/zinc/10/89/36/185108936.db2.gz JIJAYWGYIDJVJI-UHFFFAOYSA-N 0 0 264.346 3.345 10 30 CGEERN C#CC[C@@](C#N)(c1ccc(OC)c(OC)c1)C(C)C ZINC000038419043 344955657 /nfs/dbraw/zinc/95/56/57/344955657.db2.gz AGEZRLDTNOHICU-INIZCTEOSA-N 0 0 257.333 3.144 10 30 CGEERN C=CCc1ccc(C(=O)c2ccccc2C(=O)OC)cc1O ZINC000039129597 344957981 /nfs/dbraw/zinc/95/79/81/344957981.db2.gz WSIHGOYRWKHACE-UHFFFAOYSA-N 0 0 296.322 3.138 10 30 CGEERN CC1(C)C(=O)c2ccc(C(F)(F)F)cc2[C@H]2O[C@H]21 ZINC000034412578 344938918 /nfs/dbraw/zinc/93/89/18/344938918.db2.gz KTVUBFZJAWCBJP-MWLCHTKSSA-N 0 0 256.223 3.368 10 30 CGEERN Cc1cc(C)cc([S@@](=O)c2cccc(F)c2C#N)c1 ZINC000034418629 344939131 /nfs/dbraw/zinc/93/91/31/344939131.db2.gz LBVDDVGYIGXYFI-IBGZPJMESA-N 0 0 273.332 3.481 10 30 CGEERN N#Cc1ccc(F)c(COCCCc2ccncc2)c1 ZINC000034958547 344941154 /nfs/dbraw/zinc/94/11/54/344941154.db2.gz GKRDIQIVEHLTLJ-UHFFFAOYSA-N 0 0 270.307 3.242 10 30 CGEERN CCCCCCCCCCCCC[C@H](O)[C@H]1O[C@H]1C(N)=O ZINC000043397080 344997795 /nfs/dbraw/zinc/99/77/95/344997795.db2.gz KAFCGPFRECKQJK-ARFHVFGLSA-N 0 0 299.455 3.301 10 30 CGEERN CC[C@H](C#N)Nc1cc(Br)ccc1C ZINC000043540235 345000824 /nfs/dbraw/zinc/00/08/24/345000824.db2.gz QKDTVBVTCYMSPF-SNVBAGLBSA-N 0 0 253.143 3.472 10 30 CGEERN N#Cc1ccc(/N=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000059513827 345208212 /nfs/dbraw/zinc/20/82/12/345208212.db2.gz FYLPXXZUFAZJBQ-MHWRWJLKSA-N 0 0 251.245 3.217 10 30 CGEERN C[C@H]1C[C@@H]1NC(=O)c1ccccc1-c1ccccc1C#N ZINC000075524628 345511581 /nfs/dbraw/zinc/51/15/81/345511581.db2.gz OXVODDUMIQSKBD-SJCJKPOMSA-N 0 0 276.339 3.363 10 30 CGEERN N#Cc1cc(F)c(N2C[C@H]3CC=CC[C@@H]3C2)c(F)c1 ZINC000078370622 345604569 /nfs/dbraw/zinc/60/45/69/345604569.db2.gz VAJVGJGJDQAPHH-VXGBXAGGSA-N 0 0 260.287 3.239 10 30 CGEERN C[C@H](CO)Sc1cc(C#N)c2cc(Cl)ccc2n1 ZINC000092658990 345850391 /nfs/dbraw/zinc/85/03/91/345850391.db2.gz LYIAOXOSTTZLER-MRVPVSSYSA-N 0 0 278.764 3.233 10 30 CGEERN N#Cc1c(Cl)nsc1N1CCCC[C@H]1c1cn[nH]c1 ZINC000092666840 345851323 /nfs/dbraw/zinc/85/13/23/345851323.db2.gz HVLDKCNUQCANSB-JTQLQIEISA-N 0 0 293.783 3.123 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1cc2sccc2s1 ZINC000093655734 345883540 /nfs/dbraw/zinc/88/35/40/345883540.db2.gz AQFDIXBDGJZKMA-DTWKUNHWSA-N 0 0 276.386 3.385 10 30 CGEERN COc1ccc(Sc2ccc(N)c(C#N)c2)cc1 ZINC000131727971 346067385 /nfs/dbraw/zinc/06/73/85/346067385.db2.gz CLMKXDNUBYHZJX-UHFFFAOYSA-N 0 0 256.330 3.300 10 30 CGEERN C#Cc1cncc([C@@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC000138619572 346096931 /nfs/dbraw/zinc/09/69/31/346096931.db2.gz PCWSCHBYNUGOJO-AWEZNQCLSA-N 0 0 272.348 3.135 10 30 CGEERN CSc1ccc(C#C[C@@H](O)c2ccccc2)cc1 ZINC000140416761 346104330 /nfs/dbraw/zinc/10/43/30/346104330.db2.gz RAWKWYYPAMCBBG-MRXNPFEDSA-N 0 0 254.354 3.494 10 30 CGEERN O=C(c1ccccc1Br)C1=COCCC1 ZINC000160009513 346169268 /nfs/dbraw/zinc/16/92/68/346169268.db2.gz IOWHGORKWSGADP-UHFFFAOYSA-N 0 0 267.122 3.326 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NCc1ccc(Br)c(F)c1 ZINC000161312802 346175128 /nfs/dbraw/zinc/17/51/28/346175128.db2.gz YFCXOPHWQYVLGX-GXFFZTMASA-N 0 0 297.171 3.370 10 30 CGEERN Oc1cccc(C#Cc2ccc(OC(F)F)cc2)c1 ZINC000168683564 346191391 /nfs/dbraw/zinc/19/13/91/346191391.db2.gz YWWFQHQXYWWSNJ-UHFFFAOYSA-N 0 0 260.239 3.393 10 30 CGEERN CCCCCCCCCC1(NC(=O)OC)OCCO1 ZINC000215640813 346288840 /nfs/dbraw/zinc/28/88/40/346288840.db2.gz FPOADYVNKZJFKQ-UHFFFAOYSA-N 0 0 273.373 3.184 10 30 CGEERN C=C(C)C(=O)Cc1ccc(F)c(Br)c1 ZINC000232574436 346326640 /nfs/dbraw/zinc/32/66/40/346326640.db2.gz AVQPGWKXTAKSOD-UHFFFAOYSA-N 0 0 257.102 3.276 10 30 CGEERN CCO[C@H](C#N)c1cc(Br)c(C)s1 ZINC000227984276 346312371 /nfs/dbraw/zinc/31/23/71/346312371.db2.gz CDTNTMABJLYQGI-MRVPVSSYSA-N 0 0 260.156 3.420 10 30 CGEERN N#C[C@H]1CCO[C@@H]1c1sccc1Br ZINC000228022868 346312547 /nfs/dbraw/zinc/31/25/47/346312547.db2.gz SVZYQCZRPXCRAB-SVRRBLITSA-N 0 0 258.140 3.112 10 30 CGEERN C#C[C@H](C)Nc1cc(Br)c(F)cc1F ZINC000228188566 346313993 /nfs/dbraw/zinc/31/39/93/346313993.db2.gz YIGYZGSJKOJMJP-LURJTMIESA-N 0 0 260.081 3.161 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NCc1ccc(F)cc1Cl ZINC000230686559 346321518 /nfs/dbraw/zinc/32/15/18/346321518.db2.gz BARULVJTHRAYIN-RNCFNFMXSA-N 0 0 252.720 3.261 10 30 CGEERN Cc1c(CN[C@@H]2CCCC[C@@H]2C#N)cccc1[N+](=O)[O-] ZINC000231885359 346323884 /nfs/dbraw/zinc/32/38/84/346323884.db2.gz LFJKTVOTPNIMRI-TZMCWYRMSA-N 0 0 273.336 3.075 10 30 CGEERN COc1cccc(C=Nc2cc([N+](=O)[O-])ccc2F)c1 ZINC000257353811 346399987 /nfs/dbraw/zinc/39/99/87/346399987.db2.gz UCRMNYMISFJZKR-UHFFFAOYSA-N 0 0 274.251 3.493 10 30 CGEERN COc1cccc(C=Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000257352262 346400345 /nfs/dbraw/zinc/40/03/45/346400345.db2.gz KCCRVILXYBRGEW-UHFFFAOYSA-N 0 0 256.261 3.354 10 30 CGEERN COc1ccc([N+](=O)[O-])cc1N=Cc1ccc(F)cc1 ZINC000257353538 346400376 /nfs/dbraw/zinc/40/03/76/346400376.db2.gz RTKWDRDIRWUROY-UHFFFAOYSA-N 0 0 274.251 3.493 10 30 CGEERN C[C@H](Nc1ncncc1C#N)c1cccc(Cl)c1 ZINC000302537619 346441580 /nfs/dbraw/zinc/44/15/80/346441580.db2.gz HORWGXBDBGVVNH-VIFPVBQESA-N 0 0 258.712 3.175 10 30 CGEERN CCO[C@@H](C#N)c1cccc(F)c1Br ZINC000307244482 346460968 /nfs/dbraw/zinc/46/09/68/346460968.db2.gz LGNRCPIIPHLOSP-VIFPVBQESA-N 0 0 258.090 3.189 10 30 CGEERN N#CCc1c(N)c(Br)ccc1C(F)(F)F ZINC000396051375 346578764 /nfs/dbraw/zinc/57/87/64/346578764.db2.gz MEBZJLNRBCHQFD-UHFFFAOYSA-N 0 0 279.059 3.116 10 30 CGEERN N#C[C@H](c1c(F)cccc1F)[C@@H](CCO)c1cncs1 ZINC000584639287 346702237 /nfs/dbraw/zinc/70/22/37/346702237.db2.gz LNKYQPIUFWEILT-ZJUUUORDSA-N 0 0 294.326 3.195 10 30 CGEERN C=CC[C@@H](Cc1ccccc1Cl)NC(=O)OC ZINC000584600940 346688913 /nfs/dbraw/zinc/68/89/13/346688913.db2.gz VZJWTELRCLYUKI-NSHDSACASA-N 0 0 253.729 3.183 10 30 CGEERN N#Cc1ccc(C#C[C@](O)(C2CCCC2)C2(C#N)CC2)cc1 ZINC000584599220 346689072 /nfs/dbraw/zinc/68/90/72/346689072.db2.gz WSBVBSPQAMMNPM-IBGZPJMESA-N 0 0 290.366 3.135 10 30 CGEERN N#Cc1cccc(C#C[C@](O)(c2ccccc2)C2(C#N)CC2)c1 ZINC000584598829 346689233 /nfs/dbraw/zinc/68/92/33/346689233.db2.gz MRVIQZMDYXADDI-FQEVSTJZSA-N 0 0 298.345 3.101 10 30 CGEERN C=CCO[C@@H](O)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000584603789 346690601 /nfs/dbraw/zinc/69/06/01/346690601.db2.gz MWBMTEXEDNYDSA-QGZVFWFLSA-N 0 0 268.312 3.057 10 30 CGEERN N#Cc1nn(-c2cccc(Br)c2)c2cccnc12 ZINC000584619617 346695084 /nfs/dbraw/zinc/69/50/84/346695084.db2.gz IHLAUDYKEXUNCS-UHFFFAOYSA-N 0 0 299.131 3.055 10 30 CGEERN C[C@H](O)C(F)(F)[C@@H](F)C(F)(F)C(F)(F)C(F)(F)F ZINC000584626687 346697804 /nfs/dbraw/zinc/69/78/04/346697804.db2.gz UBEKWJSJCWEAHM-STHAYSLISA-N 0 0 296.104 3.174 10 30 CGEERN Cc1ccccc1NC1=CC(=O)c2ccccc2C1=O ZINC000102778385 185790921 /nfs/dbraw/zinc/79/09/21/185790921.db2.gz CBGXTVUBDSEEIZ-UHFFFAOYSA-N 0 0 263.296 3.370 10 30 CGEERN Cc1nnc([C@H](C)Nc2ccc(C#N)cc2F)s1 ZINC000273441014 192151548 /nfs/dbraw/zinc/15/15/48/192151548.db2.gz BMOJHUKREINXDN-ZETCQYMHSA-N 0 0 262.313 3.030 10 30 CGEERN COC(=O)N1CCc2ccccc2[C@@H]1c1cccc(C#N)c1 ZINC000616588657 348837558 /nfs/dbraw/zinc/83/75/58/348837558.db2.gz SPJCAZNDOGPFLP-KRWDZBQOSA-N 0 0 292.338 3.272 10 30 CGEERN N#Cc1ccc([C@@H]2CCc3ccccc3N2C(N)=O)cc1 ZINC000616668823 348860527 /nfs/dbraw/zinc/86/05/27/348860527.db2.gz GEHXQPVOVJEBQD-INIZCTEOSA-N 0 0 277.327 3.131 10 30 CGEERN CC(=O)N1CC[C@@H](c2ccc(C#N)cc2)c2ccccc21 ZINC000616673708 348862569 /nfs/dbraw/zinc/86/25/69/348862569.db2.gz CYKBZPWQYZVVLQ-INIZCTEOSA-N 0 0 276.339 3.447 10 30 CGEERN COC(=O)N1c2ccccc2NC[C@@H]1c1ccccc1C#N ZINC000616684238 348867106 /nfs/dbraw/zinc/86/71/06/348867106.db2.gz IGSZYZFHEJIHGN-MRXNPFEDSA-N 0 0 293.326 3.298 10 30 CGEERN C[C@H](Nc1ccc(C#N)cc1Br)[C@@H]1CCCO1 ZINC000123947803 187115609 /nfs/dbraw/zinc/11/56/09/187115609.db2.gz PUXUYWLFBFKZLE-ZANVPECISA-N 0 0 295.180 3.300 10 30 CGEERN N#Cc1ccc2c(c1)SCC(=O)N2CCc1ccccc1 ZINC000096028759 283196653 /nfs/dbraw/zinc/19/66/53/283196653.db2.gz BBMWKLSVNTYSJM-UHFFFAOYSA-N 0 0 294.379 3.240 10 30 CGEERN N#Cc1cccc(C#N)c1Oc1ccc([N+](=O)[O-])cc1F ZINC000302850676 283204042 /nfs/dbraw/zinc/20/40/42/283204042.db2.gz PSWYAQYQXMYLCA-UHFFFAOYSA-N 0 0 283.218 3.270 10 30 CGEERN N#Cc1cnc(N[C@H]2COc3ccccc32)c(Cl)c1 ZINC000171069233 283238551 /nfs/dbraw/zinc/23/85/51/283238551.db2.gz GHVQABXKMMYLBR-LBPRGKRZSA-N 0 0 271.707 3.152 10 30 CGEERN N#Cc1nccnc1NC[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000301673289 201128456 /nfs/dbraw/zinc/12/84/56/201128456.db2.gz ZWYVJXLAZTWYTQ-KSSFIOAISA-N 0 0 290.370 3.054 10 30 CGEERN CCCOc1ncccc1CNc1cc(C)nc(C)c1C#N ZINC000301750046 201173694 /nfs/dbraw/zinc/17/36/94/201173694.db2.gz ALJHSDLTRJBSPR-UHFFFAOYSA-N 0 0 296.374 3.366 10 30 CGEERN N#CCc1ccc(OC(=O)c2ccc(Cl)nc2)cc1 ZINC000000163256 368305980 /nfs/dbraw/zinc/30/59/80/368305980.db2.gz DEVHJHCZBSHWGE-UHFFFAOYSA-N 0 0 272.691 3.020 10 30 CGEERN COC(=O)c1ccc(/N=C/c2ccc(F)cc2)cc1 ZINC000000524362 368382493 /nfs/dbraw/zinc/38/24/93/368382493.db2.gz OYNMKENXQHRRMH-LICLKQGHSA-N 0 0 257.264 3.363 10 30 CGEERN COc1cccc(/C=N\c2cc([N+](=O)[O-])ccc2F)c1 ZINC000000524348 368383180 /nfs/dbraw/zinc/38/31/80/368383180.db2.gz UCRMNYMISFJZKR-SXGWCWSVSA-N 0 0 274.251 3.493 10 30 CGEERN Cc1csc(=NN=Cc2c(F)cccc2Cl)[nH]1 ZINC000015923681 368705353 /nfs/dbraw/zinc/70/53/53/368705353.db2.gz FBHDZLAOIJKVRR-RZNTYIFUSA-N 0 0 269.732 3.112 10 30 CGEERN C[C@@H](NC(=O)CSCC#N)c1ccc(C(C)(C)C)cc1 ZINC000041813917 328714991 /nfs/dbraw/zinc/71/49/91/328714991.db2.gz URGDLJQYFSFBEH-GFCCVEGCSA-N 0 0 290.432 3.418 10 30 CGEERN CCC(=O)[C@H](C#N)c1cccc(Br)c1 ZINC000036765770 369027123 /nfs/dbraw/zinc/02/71/23/369027123.db2.gz JZPOJSVNUSDHOV-SNVBAGLBSA-N 0 0 252.111 3.035 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NCc1cccc(C(F)(F)F)c1 ZINC000054823378 369507848 /nfs/dbraw/zinc/50/78/48/369507848.db2.gz ARKOGSGQHFRVPX-YPMHNXCESA-N 0 0 268.282 3.487 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)Cc1ccc2ccccc2c1 ZINC000061888899 369609565 /nfs/dbraw/zinc/60/95/65/369609565.db2.gz HIRWFPIGJLCCIJ-IAGOWNOFSA-N 0 0 278.355 3.191 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1cc2c(s1)CCCC2 ZINC000061889100 369609845 /nfs/dbraw/zinc/60/98/45/369609845.db2.gz WATGTYGYUNVAOR-NEPJUHHUSA-N 0 0 274.389 3.049 10 30 CGEERN F[C@H](C(F)(F)F)C(F)(F)COC(F)(F)F ZINC000081165547 369994393 /nfs/dbraw/zinc/99/43/93/369994393.db2.gz VAYMHGRUTJPRGK-REOHCLBHSA-N 0 0 250.060 3.059 10 30 CGEERN C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H]1C1CCC1 ZINC000102878039 370313534 /nfs/dbraw/zinc/31/35/34/370313534.db2.gz LJGDSSZAHMEDCQ-CJNGLKHVSA-N 0 0 298.386 3.117 10 30 CGEERN Cc1cc(Sc2cccc(O)c2)c(C#N)c(C)n1 ZINC000130417921 371031915 /nfs/dbraw/zinc/03/19/15/371031915.db2.gz WALNOSNECJZRIE-UHFFFAOYSA-N 0 0 256.330 3.427 10 30 CGEERN C[C@H]1OCC[C@@H]1Nc1ccc(C(F)(F)F)cc1C#N ZINC000149797560 371531027 /nfs/dbraw/zinc/53/10/27/371531027.db2.gz BSIPNJHEQWZARI-KCJUWKMLSA-N 0 0 270.254 3.166 10 30 CGEERN N#Cc1c(Cl)cccc1N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160642218 372264761 /nfs/dbraw/zinc/26/47/61/372264761.db2.gz URWRJHQLDSNPFV-MLGOLLRUSA-N 0 0 290.794 3.343 10 30 CGEERN c1ccc(NC2=N[C@]3(CCCCO3)CCS2)cc1 ZINC000169316186 372629677 /nfs/dbraw/zinc/62/96/77/372629677.db2.gz HVHRARZWDHUNPS-AWEZNQCLSA-N 0 0 262.378 3.297 10 30 CGEERN C[C@@H](Nc1nccnc1C#N)c1ccc(F)c(Cl)c1 ZINC000301155062 373677528 /nfs/dbraw/zinc/67/75/28/373677528.db2.gz FQLMJRXJDAGGHS-MRVPVSSYSA-N 0 0 276.702 3.314 10 30 CGEERN C[C@H]1CC[C@@H](C(=O)Nc2sc3c(c2C#N)CCCC3)O1 ZINC000178289003 373763036 /nfs/dbraw/zinc/76/30/36/373763036.db2.gz FHAOXRHVMIZTNC-CABZTGNLSA-N 0 0 290.388 3.005 10 30 CGEERN Cc1cc(N2CCS[C@H](C(C)C)C2)c(C#N)c(C)n1 ZINC000301803782 373805490 /nfs/dbraw/zinc/80/54/90/373805490.db2.gz XDXJJFUHSWOEMM-HNNXBMFYSA-N 0 0 275.421 3.148 10 30 CGEERN N#Cc1nc(Oc2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000302725035 373942648 /nfs/dbraw/zinc/94/26/48/373942648.db2.gz NEBUBCPLRFMGOL-UHFFFAOYSA-N 0 0 275.651 3.307 10 30 CGEERN C[C@@H](C#N)CNC(=O)N[C@@H]1c2ccccc2CCC1(C)C ZINC000182734502 374318531 /nfs/dbraw/zinc/31/85/31/374318531.db2.gz OKGOCGASCJBCKV-SWLSCSKDSA-N 0 0 285.391 3.159 10 30 CGEERN N#Cc1ccccc1NC(=O)[C@@H]1CCCCC1(F)F ZINC000327823324 374359041 /nfs/dbraw/zinc/35/90/41/374359041.db2.gz ZUDFDVKOBNSKOC-NSHDSACASA-N 0 0 264.275 3.322 10 30 CGEERN CC1(C)C[C@H](NC(=O)C[C@H]2CCCCNC2=O)C(C)(C)O1 ZINC000328881422 374389778 /nfs/dbraw/zinc/38/97/78/374389778.db2.gz WMSOHWVVTZMRJQ-NEPJUHHUSA-N 0 0 296.411 3.436 10 30 CGEERN C[C@H](NC(=O)C[C@@H]1CCCCC(=O)N1)c1cccnc1 ZINC000329841955 374436408 /nfs/dbraw/zinc/43/64/08/374436408.db2.gz OTSGSHKDQRAOPJ-AAEUAGOBSA-N 0 0 275.352 3.388 10 30 CGEERN CCc1nc2cc(NC(=O)N3C[C@H]4CCC[C@H]43)ccc2o1 ZINC000329927482 374443197 /nfs/dbraw/zinc/44/31/97/374443197.db2.gz LQSBTDKLQGTMRQ-ZWNOBZJWSA-N 0 0 285.347 3.420 10 30 CGEERN C[C@@H](Nc1cnn(-c2ncccc2C#N)c1)c1ccccc1 ZINC000186015240 374784899 /nfs/dbraw/zinc/78/48/99/374784899.db2.gz GFMZGKNMSLZAJH-CYBMUJFWSA-N 0 0 289.342 3.312 10 30 CGEERN C[C@@H]1CCCC[C@H]1Nc1cnn(-c2ncccc2C#N)c1 ZINC000186015435 374785504 /nfs/dbraw/zinc/78/55/04/374785504.db2.gz JXARFVQAANSHBS-IUODEOHRSA-N 0 0 281.363 3.130 10 30 CGEERN C=CCN(C)C(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000187694678 375075500 /nfs/dbraw/zinc/07/55/00/375075500.db2.gz NGUXGKGVVLFWEZ-DOMZBBRYSA-N 0 0 258.365 3.452 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1csc2c1CCCC2 ZINC000335751971 375399180 /nfs/dbraw/zinc/39/91/80/375399180.db2.gz RTQRCWHSBADOFM-MFKMUULPSA-N 0 0 274.389 3.049 10 30 CGEERN C=C(C)CN1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000246880485 377109806 /nfs/dbraw/zinc/10/98/06/377109806.db2.gz WTHPTTYOXHTFLK-KGLIPLIRSA-N 0 0 285.309 3.389 10 30 CGEERN C[C@@H]1CN(C(=O)NCc2ccc(C#N)cc2)[C@@H]2CCCC[C@H]21 ZINC000248408249 377311373 /nfs/dbraw/zinc/31/13/73/377311373.db2.gz BYZJYCFTVOKBOT-XOKHGSTOSA-N 0 0 297.402 3.278 10 30 CGEERN CC(=O)Nc1ccc(N=Cc2ccc(O)cc2)cc1 ZINC000254845566 377715324 /nfs/dbraw/zinc/71/53/24/377715324.db2.gz GCODFBIPWZCMMP-UHFFFAOYSA-N 0 0 254.289 3.101 10 30 CGEERN COC(=O)c1cc(F)c(C#N)c(SC(F)(F)F)c1 ZINC000575390753 377900048 /nfs/dbraw/zinc/90/00/48/377900048.db2.gz XUKTTWAXVPINRP-UHFFFAOYSA-N 0 0 279.214 3.096 10 30 CGEERN COC(=O)Cc1c(C#N)ccc(SC(F)(F)F)c1F ZINC000575390609 377898088 /nfs/dbraw/zinc/89/80/88/377898088.db2.gz FNCHTICBJKVCOQ-UHFFFAOYSA-N 0 0 293.241 3.025 10 30 CGEERN CCOC(=O)c1ccc(SC(F)(F)F)c(F)c1C#N ZINC000575390644 377898109 /nfs/dbraw/zinc/89/81/09/377898109.db2.gz KFJIJFWZGCBZLN-UHFFFAOYSA-N 0 0 293.241 3.486 10 30 CGEERN N#Cc1c(C=O)c(C(F)(F)F)ccc1C(F)(F)F ZINC000575340947 377882873 /nfs/dbraw/zinc/88/28/73/377882873.db2.gz HHRAGWZKGIOCIT-UHFFFAOYSA-N 0 0 267.128 3.408 10 30 CGEERN COC(=O)c1cc(Cl)ccc1C(=O)C=C(C)C ZINC000575361898 377889126 /nfs/dbraw/zinc/88/91/26/377889126.db2.gz QXAOKNYNZRPVLI-UHFFFAOYSA-N 0 0 252.697 3.276 10 30 CGEERN CCOC(=O)Cc1cc(Cl)c(C#N)c(C(F)(F)F)c1 ZINC000575383093 377893977 /nfs/dbraw/zinc/89/39/77/377893977.db2.gz GJPQPFGCRGIHNR-UHFFFAOYSA-N 0 0 291.656 3.336 10 30 CGEERN CCOC(=O)c1ccc(OC(F)F)c(C(F)F)c1C#N ZINC000575385376 377895045 /nfs/dbraw/zinc/89/50/45/377895045.db2.gz NMTDNYHBIPYFBO-UHFFFAOYSA-N 0 0 291.200 3.274 10 30 CGEERN COC(=O)Cc1ccc(C#N)c(C(F)(F)F)c1C(F)F ZINC000575387940 377896442 /nfs/dbraw/zinc/89/64/42/377896442.db2.gz ZAXUMNNPNPTRCN-UHFFFAOYSA-N 0 0 293.191 3.230 10 30 CGEERN COC(=O)c1ccc(SC(F)(F)F)c(C#N)c1F ZINC000575390692 377899590 /nfs/dbraw/zinc/89/95/90/377899590.db2.gz QNYBFPLEFNYEJS-UHFFFAOYSA-N 0 0 279.214 3.096 10 30 CGEERN CCOC(=O)Cc1ccc(CC)c(C#N)c1C(F)F ZINC000575389710 377897610 /nfs/dbraw/zinc/89/76/10/377897610.db2.gz LKAWBFRWHYBIHW-UHFFFAOYSA-N 0 0 267.275 3.164 10 30 CGEERN N#CCNc1cc(Cl)c(Br)cc1F ZINC000575555277 377917964 /nfs/dbraw/zinc/91/79/64/377917964.db2.gz JSTKTMYCYPPNDN-UHFFFAOYSA-N 0 0 263.497 3.177 10 30 CGEERN N#CCc1cc(C#N)c(OC(F)(F)F)c(OC(F)F)c1 ZINC000575640018 377925079 /nfs/dbraw/zinc/92/50/79/377925079.db2.gz KTILKEFXCINXOY-UHFFFAOYSA-N 0 0 292.163 3.124 10 30 CGEERN N#CCc1cc(C#N)cc(OC(F)F)c1OC(F)(F)F ZINC000575640890 377925486 /nfs/dbraw/zinc/92/54/86/377925486.db2.gz SZJXCMHPFJJMIG-UHFFFAOYSA-N 0 0 292.163 3.124 10 30 CGEERN CCc1cc(OC(F)(F)F)cc(CC#N)c1C#N ZINC000575645575 377926293 /nfs/dbraw/zinc/92/62/93/377926293.db2.gz BZKWUFOYELZVLL-UHFFFAOYSA-N 0 0 254.211 3.085 10 30 CGEERN CCOc1cc(OCC)c(CC#N)cc1Br ZINC000575681015 377955760 /nfs/dbraw/zinc/95/57/60/377955760.db2.gz OANJIOWMJRSLCN-UHFFFAOYSA-N 0 0 284.153 3.313 10 30 CGEERN N#CCc1cc(C(F)F)c(OC(F)F)cc1[N+](=O)[O-] ZINC000575653182 377930499 /nfs/dbraw/zinc/93/04/99/377930499.db2.gz ZMIGHWTUEFUXKR-UHFFFAOYSA-N 0 0 278.161 3.200 10 30 CGEERN CCOc1cc(CC)c(CC#N)c(OC(F)F)c1 ZINC000575656365 377933625 /nfs/dbraw/zinc/93/36/25/377933625.db2.gz OPJNRUXPKJBMSN-UHFFFAOYSA-N 0 0 255.264 3.315 10 30 CGEERN N#Cc1c(F)cc(OC(F)F)cc1C(F)(F)F ZINC000575660822 377937181 /nfs/dbraw/zinc/93/71/81/377937181.db2.gz ZRFOEAMLMJGFJL-UHFFFAOYSA-N 0 0 255.117 3.318 10 30 CGEERN CCOC(=O)c1cc(C(F)(F)F)c(C#N)cc1OCC ZINC000575671264 377947125 /nfs/dbraw/zinc/94/71/25/377947125.db2.gz PORUDJVEMTXZQU-UHFFFAOYSA-N 0 0 287.237 3.152 10 30 CGEERN Cc1cc(Br)cc(C#N)c1OC(F)F ZINC000575682769 377957202 /nfs/dbraw/zinc/95/72/02/377957202.db2.gz BJZIFFPBCVZADO-UHFFFAOYSA-N 0 0 262.053 3.231 10 30 CGEERN CCOC(=O)c1cc(C#N)c(C(F)(F)F)cc1C ZINC000575395235 377902353 /nfs/dbraw/zinc/90/23/53/377902353.db2.gz TZTRRVVHDVYUEU-UHFFFAOYSA-N 0 0 257.211 3.062 10 30 CGEERN COC(=O)Cc1cc(C#N)c(C)cc1SC(F)(F)F ZINC000575395388 377903502 /nfs/dbraw/zinc/90/35/02/377903502.db2.gz AYQXNMGNEAQZMI-UHFFFAOYSA-N 0 0 289.278 3.194 10 30 CGEERN CCOc1ccc(Br)c(OCC)c1CC#N ZINC000575680744 377954906 /nfs/dbraw/zinc/95/49/06/377954906.db2.gz JCHACWNGTWCDHX-UHFFFAOYSA-N 0 0 284.153 3.313 10 30 CGEERN CCOc1cc(CC#N)c(Br)c(OCC)c1 ZINC000575680916 377955043 /nfs/dbraw/zinc/95/50/43/377955043.db2.gz MBWPTQVRMQPBLK-UHFFFAOYSA-N 0 0 284.153 3.313 10 30 CGEERN COc1cc(C(F)F)cc(CC#N)c1Br ZINC000575684217 377958958 /nfs/dbraw/zinc/95/89/58/377958958.db2.gz DDEDQXZWMUYOQJ-UHFFFAOYSA-N 0 0 276.080 3.461 10 30 CGEERN Cc1cc(C#N)c(OC(F)F)cc1Br ZINC000575684554 377959156 /nfs/dbraw/zinc/95/91/56/377959156.db2.gz VUJHXDWAFLHOLE-UHFFFAOYSA-N 0 0 262.053 3.231 10 30 CGEERN N#Cc1cc(Br)c(OC(F)(F)F)cc1F ZINC000575687530 377961952 /nfs/dbraw/zinc/96/19/52/377961952.db2.gz JBOAZYHLBAEYFM-UHFFFAOYSA-N 0 0 284.006 3.358 10 30 CGEERN Cc1ccc(S(=O)(=O)OC/C=C/C(C)(C)C)cc1 ZINC000584627421 378395309 /nfs/dbraw/zinc/39/53/09/378395309.db2.gz ZIOKSFPNAILTBW-BJMVGYQFSA-N 0 0 268.378 3.303 10 30 CGEERN C[C@H](C[C@@H]1CCCO1)NC(=O)c1cncc2ccccc21 ZINC000328687688 542444509 /nfs/dbraw/zinc/44/45/09/542444509.db2.gz HEMGUNMXAMCMMG-OCCSQVGLSA-N 0 0 284.359 3.497 10 30 CGEERN CCC1CCC(NC(=O)N[C@H](C)c2nnc(C)s2)CC1 ZINC000329525903 542446754 /nfs/dbraw/zinc/44/67/54/542446754.db2.gz RGIUEJUGVJXNDP-OIKLOGQESA-N 0 0 296.440 3.380 10 30 CGEERN CC(C)[C@](C)(C#N)NC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000162665987 262333873 /nfs/dbraw/zinc/33/38/73/262333873.db2.gz GSEALTQKEJUBMR-FMKPAKJESA-N 0 0 262.397 3.257 10 30 CGEERN C=CCN(C(=O)[C@@H]1CCCO[C@H]1C)c1ccccc1 ZINC000191866089 130321201 /nfs/dbraw/zinc/32/12/01/130321201.db2.gz ZESWZMPUIAKANY-DZGCQCFKSA-N 0 0 259.349 3.021 10 30 CGEERN C[C@H](Nc1ccc(C#N)cc1)c1cn(-c2ccccc2)nn1 ZINC000153335293 392515199 /nfs/dbraw/zinc/51/51/99/392515199.db2.gz YBBOXZHJWABGAI-ZDUSSCGKSA-N 0 0 289.342 3.312 10 30 CGEERN C#CCOc1ccc(C(=O)N2CCC[C@@H]2c2ccco2)cc1 ZINC000156204304 392546085 /nfs/dbraw/zinc/54/60/85/392546085.db2.gz QQRSARNJQDYRCM-MRXNPFEDSA-N 0 0 295.338 3.269 10 30 CGEERN Cc1cc(NC(=O)C#CBr)c(Cl)cc1F ZINC000307360830 392649856 /nfs/dbraw/zinc/64/98/56/392649856.db2.gz GTZQBNXYUPTZIT-UHFFFAOYSA-N 0 0 290.519 3.082 10 30 CGEERN Cc1c(Cl)cnc(N[C@@H]2CCC[C@@H]2C#N)c1C#N ZINC000408183007 392970708 /nfs/dbraw/zinc/97/07/08/392970708.db2.gz NTBNUAHCSVNUQP-BXKDBHETSA-N 0 0 260.728 3.019 10 30 CGEERN O=C1c2c(c(F)c(F)c(F)c2F)C(F)(F)C1(F)F ZINC000196173047 392975296 /nfs/dbraw/zinc/97/52/96/392975296.db2.gz ORSCCZPAQKVKPS-UHFFFAOYSA-N 0 0 276.082 3.166 10 30 CGEERN Cc1c(Br)cc(F)c2[nH]c(=O)c(C#N)cc12 ZINC000675067794 543312505 /nfs/dbraw/zinc/31/25/05/543312505.db2.gz NNGLEXHQFRCUGA-UHFFFAOYSA-N 0 0 281.084 3.022 10 30 CGEERN CC(C)COCCNc1ccc(C#N)c(Cl)c1 ZINC000169264621 165504555 /nfs/dbraw/zinc/50/45/55/165504555.db2.gz XQILWDUMIUEKJO-UHFFFAOYSA-N 0 0 252.745 3.296 10 30 CGEERN C[C@@H]1C(=O)CC[C@H](C(=O)N[C@@H]2CCCCC[C@H]2O)C1(C)C ZINC000329339853 287167315 /nfs/dbraw/zinc/16/73/15/287167315.db2.gz RGNJHAVFXKMVTP-RGCMKSIDSA-N 0 0 295.423 3.278 10 30 CGEERN CCC1=C/C(=C\c2ccc3c(c2)OCO3)C(=O)S1 ZINC000005171191 170073174 /nfs/dbraw/zinc/07/31/74/170073174.db2.gz BUOREIVKKAYCJA-BJMVGYQFSA-N 0 0 260.314 3.366 10 30 aggregator CGEERN COc1cc(/C=N/N2[C@H](C)CCC[C@H]2C)cc(OC)c1O ZINC000005505419 170105391 /nfs/dbraw/zinc/10/53/91/170105391.db2.gz CVZVLRVUYJAWQL-SYRODZOTSA-N 0 0 292.379 3.006 10 30 CGEERN COc1ccc(NC(=NNc2ccccc2C)C(C)=O)cc1 ZINC000005588514 170116772 /nfs/dbraw/zinc/11/67/72/170116772.db2.gz QZWBELBTZYDJHF-UHFFFAOYSA-N 0 0 297.358 3.430 10 30 CGEERN CC(N=Nc1ccc(C(F)(F)F)cn1)c1ccncc1 ZINC000005637115 170122719 /nfs/dbraw/zinc/12/27/19/170122719.db2.gz ZJEKSQKTAQKQLZ-DJKKODMXSA-N 0 0 280.253 3.332 10 30 CGEERN C[C@H](Oc1ccc(C#N)cc1)C(=O)c1ccc(F)cc1 ZINC000005868454 170149014 /nfs/dbraw/zinc/14/90/14/170149014.db2.gz AFEYPDNYZWTMCP-NSHDSACASA-N 0 0 269.275 3.348 10 30 CGEERN COc1ccccc1Sc1cccc(N)c1C#N ZINC000005929241 170156624 /nfs/dbraw/zinc/15/66/24/170156624.db2.gz NZXQIIPHDSINPY-UHFFFAOYSA-N 0 0 256.330 3.300 10 30 in-vivo CGEERN COc1cc(C=Nc2ccc3[nH]c(C)nc3c2)ccc1O ZINC000005940859 170159034 /nfs/dbraw/zinc/15/90/34/170159034.db2.gz APWLVWWKNFATNU-RQZCQDPDSA-N 0 0 281.315 3.336 10 30 CGEERN COc1cc(/C=N/c2ccc3nccnc3c2)ccc1O ZINC000006127053 170178504 /nfs/dbraw/zinc/17/85/04/170178504.db2.gz FIYKJKFZDKJVLO-VXLYETTFSA-N 0 0 279.299 3.095 10 30 CGEERN CC[C@@H]1CCCC1N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000006707037 170231102 /nfs/dbraw/zinc/23/11/02/170231102.db2.gz VNJLMDBDALTVLB-CSCQJOBLSA-N 0 0 292.295 3.481 10 30 CGEERN Fc1c(F)c(F)c(N=NCc2ccncc2)c(F)c1F ZINC000008344889 170332624 /nfs/dbraw/zinc/33/26/24/170332624.db2.gz XASFFVRUOLEMEG-PTXOJBNSSA-N 0 0 287.191 3.223 10 30 CGEERN Cc1ccc([S@@](=O)/N=C/c2ccc(F)cc2)cc1 ZINC000008550560 170339948 /nfs/dbraw/zinc/33/99/48/170339948.db2.gz NTBRTDBJPTUDJV-BXBHGGAKSA-N 0 0 261.321 3.276 10 30 CGEERN C[C@H](Oc1ccc(C#N)cc1)C(=O)c1ccccc1 ZINC000009653667 170384037 /nfs/dbraw/zinc/38/40/37/170384037.db2.gz IXOVJISRZPUVJV-LBPRGKRZSA-N 0 0 251.285 3.208 10 30 CGEERN N#CCCN(C(=O)Cc1cccs1)c1ccccc1 ZINC000019440007 170801924 /nfs/dbraw/zinc/80/19/24/170801924.db2.gz RPNJBBBSJJOUHS-UHFFFAOYSA-N 0 0 270.357 3.237 10 30 CGEERN C=CCNc1ncnc2sc(C(=O)OC(C)C)c(C)c21 ZINC000019644427 170833045 /nfs/dbraw/zinc/83/30/45/170833045.db2.gz RXIKGLAUEJUGOF-UHFFFAOYSA-N 0 0 291.376 3.163 10 30 CGEERN CCOc1ccc(C=NNc2nc3ccccc3[nH]2)cc1 ZINC000035379328 172162367 /nfs/dbraw/zinc/16/23/67/172162367.db2.gz QJKMGEHCTWBOMV-BOPFTXTBSA-N 0 0 280.331 3.408 10 30 CGEERN Cc1sc(CC#N)nc1-c1cccc([N+](=O)[O-])c1 ZINC000036721128 172657811 /nfs/dbraw/zinc/65/78/11/172657811.db2.gz UBZZHPGHXWFOLK-UHFFFAOYSA-N 0 0 259.290 3.093 10 30 CGEERN N#C[C@H](C(=O)c1cccc(F)c1)c1ccc(F)cc1 ZINC000037345611 173143158 /nfs/dbraw/zinc/14/31/58/173143158.db2.gz OXXBWGPUDWSWNU-AWEZNQCLSA-N 0 0 257.239 3.455 10 30 CGEERN N#Cc1cccc(OCc2cc(N)ccc2Cl)c1 ZINC000037403422 173179512 /nfs/dbraw/zinc/17/95/12/173179512.db2.gz XBCNRXDIZRZPMH-UHFFFAOYSA-N 0 0 258.708 3.373 10 30 CGEERN N#C[C@@H](NCc1ccccc1)c1ccc(F)c(F)c1 ZINC000037939358 173878832 /nfs/dbraw/zinc/87/88/32/173878832.db2.gz PKYKPZFGXGDEIY-OAHLLOKOSA-N 0 0 258.271 3.319 10 30 CGEERN Cc1ccccc1C(=O)NC1(C#N)CCCCCC1 ZINC000040221583 174206449 /nfs/dbraw/zinc/20/64/49/174206449.db2.gz VHKAKXWQGQNBQH-UHFFFAOYSA-N 0 0 256.349 3.341 10 30 CGEERN C=CCNc1ncnc(Nc2cc(C)cc(C)c2)c1[N+](=O)[O-] ZINC000040582928 174345646 /nfs/dbraw/zinc/34/56/46/174345646.db2.gz VHLKQFBFNUIXJR-UHFFFAOYSA-N 0 0 299.334 3.343 10 30 CGEERN Cc1cccc(NC(=O)[C@@H](C#N)Cc2ccccc2)c1 ZINC000044812069 175258122 /nfs/dbraw/zinc/25/81/22/175258122.db2.gz ATDKAVHYJGIGNL-OAHLLOKOSA-N 0 0 264.328 3.316 10 30 CGEERN OCC#Cc1ccc(CSc2cccs2)cc1 ZINC000049622258 175495474 /nfs/dbraw/zinc/49/54/74/175495474.db2.gz FRTRFGDALCIDAM-UHFFFAOYSA-N 0 0 260.383 3.384 10 30 CGEERN C[C@H](c1ccc(Cl)cc1)N(C)c1cnc(C#N)cn1 ZINC000071179058 176056003 /nfs/dbraw/zinc/05/60/03/176056003.db2.gz SZQSHDPWTCNFBS-SNVBAGLBSA-N 0 0 272.739 3.199 10 30 CGEERN CC(C)[C@H](C#N)NC(=O)Nc1ccc(Cl)cc1 ZINC000071573876 176200744 /nfs/dbraw/zinc/20/07/44/176200744.db2.gz GDCQTDOPLKPMNR-NSHDSACASA-N 0 0 251.717 3.010 10 30 CGEERN CC[C@H](NC(=O)[C@@H]1CCCCC(=O)N1)C1CCOCC1 ZINC000329832702 287442514 /nfs/dbraw/zinc/44/25/14/287442514.db2.gz GBZSCPRRNJHUAH-STQMWFEESA-N 0 0 282.384 3.047 10 30 CGEERN C[C@H](CC1CC1)NC(=O)Nc1ccc2ccn(C)c(=O)c2c1 ZINC000329043015 227269222 /nfs/dbraw/zinc/26/92/22/227269222.db2.gz ISUCDZNIJDTAEA-LLVKDONJSA-N 0 0 299.374 3.053 10 30 CGEERN Cc1ccn(-c2ccccc2NC(=O)N2C[C@H]3CCC[C@@H]32)n1 ZINC000329977911 228004649 /nfs/dbraw/zinc/00/46/49/228004649.db2.gz GOYMMQAYQJUGOU-HIFRSBDPSA-N 0 0 296.374 3.211 10 30 CGEERN O=C(NC[C@@H]1CCC2(CCCCC2)O1)[C@@H]1CCCC(=O)N1 ZINC000330068279 228032118 /nfs/dbraw/zinc/03/21/18/228032118.db2.gz GFFUVBKSQLJJFA-STQMWFEESA-N 0 0 294.395 3.334 10 30 CGEERN Cc1nc(CC2CC2)oc1C(=O)N[C@@H]1COc2ccccc21 ZINC000330035754 228023538 /nfs/dbraw/zinc/02/35/38/228023538.db2.gz XQURQIWYLVIVMB-CYBMUJFWSA-N 0 0 298.342 3.374 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000336081690 228185883 /nfs/dbraw/zinc/18/58/83/228185883.db2.gz SRURDJAKSHAHFR-SMDDNHRTSA-N 0 0 288.778 3.180 10 30 CGEERN C=C(C)COCCNC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000180461151 260102807 /nfs/dbraw/zinc/10/28/07/260102807.db2.gz UBFIGWQYYZMUAB-ZIAGYGMSSA-N 0 0 267.413 3.158 10 30 CGEERN C[C@@H]1CCC[C@](C#N)(NC(=O)[C@@H]2CCc3ccccc32)C1 ZINC000408004520 260169330 /nfs/dbraw/zinc/16/93/30/260169330.db2.gz MKWPYRHTLVJLIC-QBIMZIAESA-N 0 0 282.387 3.305 10 30 CGEERN C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@@H]2CCc3ccccc32)C1 ZINC000408004516 260169507 /nfs/dbraw/zinc/16/95/07/260169507.db2.gz MKWPYRHTLVJLIC-MZMPZRCHSA-N 0 0 282.387 3.305 10 30 CGEERN CC1(C)Cc2cccc(CN[C@@H]3CCC[C@H]3C#N)c2O1 ZINC000080509215 260180694 /nfs/dbraw/zinc/18/06/94/260180694.db2.gz ZEXRQOVHWOKURC-DZGCQCFKSA-N 0 0 270.376 3.182 10 30 CGEERN Cc1ccc([C@H](C)NC(=O)C2(C#N)CCC2)cc1F ZINC000088233413 260229826 /nfs/dbraw/zinc/22/98/26/260229826.db2.gz IZBRCPNOWNRHFB-NSHDSACASA-N 0 0 260.312 3.005 10 30 CGEERN Cc1cccc(C(=O)N[C@@H]2CCC[C@H]2C#N)c1Cl ZINC000162885050 262381077 /nfs/dbraw/zinc/38/10/77/262381077.db2.gz ZNUTWGYBAYLILC-CMPLNLGQSA-N 0 0 262.740 3.071 10 30 CGEERN C=CCCS(=O)(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000119898937 263279353 /nfs/dbraw/zinc/27/93/53/263279353.db2.gz UZCLUUUYSBUDEV-VIFPVBQESA-N 0 0 291.775 3.036 10 30 CGEERN C=CCCS(=O)(=O)N1CCCC[C@H]1c1ccc(CC)o1 ZINC000120926335 263287927 /nfs/dbraw/zinc/28/79/27/263287927.db2.gz WVLPCNVWBQMEQS-AWEZNQCLSA-N 0 0 297.420 3.275 10 30 CGEERN C=CCCS(=O)(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000162280423 264311640 /nfs/dbraw/zinc/31/16/40/264311640.db2.gz JBUGTUUEXPJJES-IUODEOHRSA-N 0 0 279.405 3.121 10 30 CGEERN C=CCCC[N@@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000076801861 264343950 /nfs/dbraw/zinc/34/39/50/264343950.db2.gz ZFTRXKCGMOKVRB-LSDHHAIUSA-N 0 0 274.408 3.150 10 30 CGEERN Cc1cc2c(cc1F)C(=O)NC1(CCC(C)(C#N)CC1)N2 ZINC000334868688 265077409 /nfs/dbraw/zinc/07/74/09/265077409.db2.gz QZLAOKXTDGENFO-UHFFFAOYSA-N 0 0 287.338 3.090 10 30 CGEERN C=CC[C@@H](C)NC(=O)N1CC=C(c2ccccc2)CC1 ZINC000116972794 267194951 /nfs/dbraw/zinc/19/49/51/267194951.db2.gz NZTAPDPXLJHMHF-CQSZACIVSA-N 0 0 270.376 3.450 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)Nc1ccc(C2CCC2)cn1 ZINC000333670072 279488740 /nfs/dbraw/zinc/48/87/40/279488740.db2.gz NQDFDKVIQGFSLB-TZMCWYRMSA-N 0 0 284.363 3.163 10 30 CGEERN N#Cc1cc([N+](=O)[O-])ccc1N1CC[C@H]2CCCC[C@H]21 ZINC000229105122 279507048 /nfs/dbraw/zinc/50/70/48/279507048.db2.gz LTAAIINUXOSJBF-BXUZGUMPSA-N 0 0 271.320 3.235 10 30 CGEERN Cc1nc(C)c(NC(=O)[C@@]2(C)CCCNC2=O)s1 ZINC000330296593 293238083 /nfs/dbraw/zinc/23/80/83/293238083.db2.gz GIXULJNYCMZAMB-LBPRGKRZSA-N 0 0 267.354 3.105 10 30 CGEERN C#CCCCNC(=O)N1CCCC[C@@H]1c1ccc(C)o1 ZINC000173512153 329148527 /nfs/dbraw/zinc/14/85/27/329148527.db2.gz QLGUGAUOHSMJSB-CQSZACIVSA-N 0 0 274.364 3.238 10 30 CGEERN C[C@@H](CC#N)N(C)C(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000184145791 329256570 /nfs/dbraw/zinc/25/65/70/329256570.db2.gz UDPXIBSPHQKQDO-AGIUHOORSA-N 0 0 250.386 3.209 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)c1cc(F)c(Cl)cc1F ZINC000167553768 331308429 /nfs/dbraw/zinc/30/84/29/331308429.db2.gz RRJHORROAQAASV-JMCQJSRRSA-N 0 0 284.693 3.040 10 30 CGEERN Cc1ccc([C@H](C)Nc2ccc(C#N)c(C)n2)cc1F ZINC000380366619 335977140 /nfs/dbraw/zinc/97/71/40/335977140.db2.gz KKNNGIPORADPKT-NSHDSACASA-N 0 0 269.323 3.304 10 30 CGEERN O=C(C[C@@H]1CCCCNC1=O)NCC[C@H]1CCCCO1 ZINC000329372604 500678152 /nfs/dbraw/zinc/67/81/52/500678152.db2.gz JLWGVPWKCAXERM-QWHCGFSZSA-N 0 0 282.384 3.049 10 30 CGEERN C#CCC(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000185876907 518242791 /nfs/dbraw/zinc/24/27/91/518242791.db2.gz SADIZUDOSMTSGZ-ZDUSSCGKSA-N 0 0 297.320 3.326 10 30 CGEERN C=C[C@](C)(CC)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000188176975 519302253 /nfs/dbraw/zinc/30/22/53/519302253.db2.gz NBHMOVHZFQAJOO-CZUORRHYSA-N 0 0 259.349 3.229 10 30 CGEERN CC(C)N[C@@H](C#N)CCOc1ccc(C(C)C)cc1 ZINC000062445539 519733478 /nfs/dbraw/zinc/73/34/78/519733478.db2.gz ZXKWBABZNZKQIM-OAHLLOKOSA-N 0 0 260.381 3.469 10 30 CGEERN CC(C)[C@@H](C#N)C(=O)N[C@@H]1CCCc2sccc21 ZINC000061366871 519788611 /nfs/dbraw/zinc/78/86/11/519788611.db2.gz PAVOVASVGVXKNN-VXGBXAGGSA-N 0 0 262.378 3.037 10 30 CGEERN CC1CCC(Nc2ccc([N+](=O)[O-])c(C#N)c2)CC1 ZINC000157520790 520954398 /nfs/dbraw/zinc/95/43/98/520954398.db2.gz AGMKTOUJWDORGF-UHFFFAOYSA-N 0 0 259.309 3.457 10 30 CGEERN CCN(CCC#N)Cc1nc2sccc2c(Cl)n1 ZINC000050840333 520979310 /nfs/dbraw/zinc/97/93/10/520979310.db2.gz HVVPDOLTEIRZFO-UHFFFAOYSA-N 0 0 280.784 3.080 10 30 CGEERN C[C@@H]1CCC[C@H](Sc2ccccc2/C(N)=N/O)C1 ZINC000054691164 524413608 /nfs/dbraw/zinc/41/36/08/524413608.db2.gz SJJBIAYQUWTUDJ-MNOVXSKESA-N 0 0 264.394 3.452 10 30 CGEERN Cc1ccc(CNc2cc(C)nc(C)c2C#N)cc1 ZINC000156538922 524612655 /nfs/dbraw/zinc/61/26/55/524612655.db2.gz NUUNUUIWYXUIDH-UHFFFAOYSA-N 0 0 251.333 3.491 10 30 CGEERN Cc1ccsc1CN=NC(=S)NCc1ccccc1 ZINC000013684688 525816067 /nfs/dbraw/zinc/81/60/67/525816067.db2.gz BEBBPHXBUJEGFH-MHWRWJLKSA-N 0 0 289.429 3.466 10 30 CGEERN N#C[C@H]1CCCOc2c(Br)cccc21 ZINC000062624324 526513781 /nfs/dbraw/zinc/51/37/81/526513781.db2.gz AFFPVMQFUSEYAK-MRVPVSSYSA-N 0 0 252.111 3.229 10 30 CGEERN N#Cc1cc(Nc2nc3c(c(Cl)n2)CCC3)ccc1F ZINC000057343309 526573408 /nfs/dbraw/zinc/57/34/08/526573408.db2.gz OMNWSUCTNYRICW-UHFFFAOYSA-N 0 0 288.713 3.373 10 30 CGEERN Cc1nc(C)c([C@@H](C)N[C@@H]2CCCC[C@@H]2C#N)s1 ZINC000054826145 526745954 /nfs/dbraw/zinc/74/59/54/526745954.db2.gz GQMWIEYHANBATC-RAIGVLPGSA-N 0 0 263.410 3.493 10 30 CGEERN Cc1nc(C#N)cc(N[C@@H](C)c2ccc(C)c(F)c2)n1 ZINC000308266203 618198160 /nfs/dbraw/zinc/19/81/60/618198160.db2.gz PQLCERRRMFHSHG-JTQLQIEISA-N 0 0 270.311 3.277 10 30 CGEERN CC(C)(C)[C@H](C#N)OC(=O)Cc1ccc2c(c1)CCC2 ZINC000184929958 619056153 /nfs/dbraw/zinc/05/61/53/619056153.db2.gz HJNZNROCTFJMKU-HNNXBMFYSA-N 0 0 271.360 3.199 10 30 CGEERN C#CCCCC(=O)O[C@H]1C[C@H](OCC)C12CCCC2 ZINC000191249597 619717561 /nfs/dbraw/zinc/71/75/61/619717561.db2.gz APTCZJDNRFTDPS-KBPBESRZSA-N 0 0 264.365 3.071 10 30 CGEERN C#CCC(C)(C)C(=O)N[C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000186027301 625506717 /nfs/dbraw/zinc/50/67/17/625506717.db2.gz ZFZJLJQGAFHTAL-XJKSGUPXSA-N 0 0 269.388 3.394 10 30 CGEERN C#CC[C@H](OC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000175340241 624630049 /nfs/dbraw/zinc/63/00/49/624630049.db2.gz NFXXNNLHNROLPC-WWGRRREGSA-N 0 0 290.309 3.413 10 30 CGEERN CC(C)[C@@H](C)NC(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000180063742 624712944 /nfs/dbraw/zinc/71/29/44/624712944.db2.gz UGFGYQRHPCUAMU-NWDGAFQWSA-N 0 0 275.352 3.143 10 30 CGEERN CC(C)(C)OC(=O)N[C@@H](CC=O)c1ccccc1Cl ZINC000238198341 624750431 /nfs/dbraw/zinc/75/04/31/624750431.db2.gz NFDWYXHKMFFRJB-LBPRGKRZSA-N 0 0 283.755 3.495 10 30 CGEERN C=CCCC[C@H](C)NC(=O)N[C@H]1COc2ccccc21 ZINC000180637360 624762062 /nfs/dbraw/zinc/76/20/62/624762062.db2.gz IDXOZNTXRPMFKT-JSGCOSHPSA-N 0 0 274.364 3.164 10 30 CGEERN CCCCCCCC(=O)NC[C@@H](O)Cc1ccccc1 ZINC000104915920 635472324 /nfs/dbraw/zinc/47/23/24/635472324.db2.gz QUSSHYCBBWJXAF-INIZCTEOSA-N 0 0 277.408 3.067 10 30 CGEERN CCCCCCOc1ccc(C=NO)cc1OC ZINC000249803024 640808821 /nfs/dbraw/zinc/80/88/21/640808821.db2.gz NTJVXMVELZUDOK-UHFFFAOYSA-N 0 0 251.326 3.462 10 30 CGEERN C[N+](C)(C)c1ccc(C=Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000254294355 717170685 /nfs/dbraw/zinc/17/06/85/717170685.db2.gz NZVRIJZEGKPEKZ-UHFFFAOYSA-O 0 0 283.351 3.332 10 30 CGEERN COc1ccc(O)cc1C(=O)/C=C\c1cccnc1Cl ZINC000588410391 799690130 /nfs/dbraw/zinc/69/01/30/799690130.db2.gz QSMYYBGBCJNSHV-XQRVVYSFSA-N 0 0 289.718 3.345 10 30 CGEERN CC/C=C\COC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000588539396 799707977 /nfs/dbraw/zinc/70/79/77/799707977.db2.gz IKWRKKLYFATIKF-ARJAWSKDSA-N 0 0 255.317 3.099 10 30 CGEERN COc1ccc2c(c1)C(=O)/C(=C/c1cocn1)CS2 ZINC000588580366 799716975 /nfs/dbraw/zinc/71/69/75/799716975.db2.gz OGVLOCBOVPKJGQ-RUDMXATFSA-N 0 0 273.313 3.055 10 30 CGEERN COC(=O)c1ccc2c(c1)[C@H](CC=O)c1ccccc1CO2 ZINC000038602590 344956532 /nfs/dbraw/zinc/95/65/32/344956532.db2.gz LGNKMMKIFVSJSE-OAHLLOKOSA-N 0 0 296.322 3.087 10 30 CGEERN Cc1ccccc1[S@@](=O)c1cccc(F)c1C#N ZINC000039000306 344957326 /nfs/dbraw/zinc/95/73/26/344957326.db2.gz DTEDSDISSUZRMK-SFHVURJKSA-N 0 0 259.305 3.173 10 30 CGEERN O=C(/C=C/CCCC[C@@H](O)c1ccc2ccccc2c1)NO ZINC000036462010 344944082 /nfs/dbraw/zinc/94/40/82/344944082.db2.gz DHJCHUMLAXSDKC-PEJPJJPESA-N 0 0 299.370 3.495 10 30 CGEERN CC(C)N[C@@H](C#N)c1ccccc1Br ZINC000036924631 344945683 /nfs/dbraw/zinc/94/56/83/344945683.db2.gz FTHNWURHWYUZKU-NSHDSACASA-N 0 0 253.143 3.012 10 30 CGEERN C=C(Br)CNc1cc(F)c(F)c(F)c1 ZINC000061096193 345226770 /nfs/dbraw/zinc/22/67/70/345226770.db2.gz DMXUAWZOUGNLEF-UHFFFAOYSA-N 0 0 266.060 3.424 10 30 CGEERN N#Cc1cccc(COc2cncc(Br)c2)c1 ZINC000070536033 345391842 /nfs/dbraw/zinc/39/18/42/345391842.db2.gz FHFKTVDPMVAACJ-UHFFFAOYSA-N 0 0 289.132 3.295 10 30 CGEERN N#Cc1c(Cl)nsc1N1CC[C@H]2CCCC[C@H]21 ZINC000080972498 345693466 /nfs/dbraw/zinc/69/34/66/345693466.db2.gz YYNLOJDYYLLLSX-PSASIEDQSA-N 0 0 267.785 3.437 10 30 CGEERN N#Cc1c(Cl)nsc1N1CC[C@H]2CCCC[C@@H]21 ZINC000080972500 345693546 /nfs/dbraw/zinc/69/35/46/345693546.db2.gz YYNLOJDYYLLLSX-SCZZXKLOSA-N 0 0 267.785 3.437 10 30 CGEERN CC[C@H](C#N)C(=O)c1ccc(C)cc1Br ZINC000129538107 346050192 /nfs/dbraw/zinc/05/01/92/346050192.db2.gz WRWYEACCVBAENI-SECBINFHSA-N 0 0 266.138 3.490 10 30 CGEERN CO/N=C1/c2ccccc2C[C@H]1c1ccc(OC)cc1 ZINC000138486455 346096726 /nfs/dbraw/zinc/09/67/26/346096726.db2.gz FLHGTDNWNMNOEU-QCPHZMBFSA-N 0 0 267.328 3.386 10 30 CGEERN C=CCNc1nc2c(C)csc2c(NC2CC2)n1 ZINC000141667511 346109552 /nfs/dbraw/zinc/10/95/52/346109552.db2.gz KTXSQOFIUXTMRE-UHFFFAOYSA-N 0 0 260.366 3.172 10 30 CGEERN N#Cc1ccc(N[C@@H]2CCC[C@H]3CCCC[C@@]32O)cc1 ZINC000144601029 346118031 /nfs/dbraw/zinc/11/80/31/346118031.db2.gz RAWOQAQHWSBMQN-DJIMGWMZSA-N 0 0 270.376 3.444 10 30 CGEERN COC1(c2ccc(C)cc2)CCC(=NOC(C)=O)CC1 ZINC000145918745 346121349 /nfs/dbraw/zinc/12/13/49/346121349.db2.gz GBMXWHLXLKAGRG-UHFFFAOYSA-N 0 0 275.348 3.330 10 30 CGEERN CSC(=NC#N)Nc1cccc(C(F)(F)F)c1 ZINC000149854234 346131625 /nfs/dbraw/zinc/13/16/25/346131625.db2.gz UQDRJBNMKNACQP-UHFFFAOYSA-N 0 0 259.256 3.317 10 30 CGEERN C#CC(C)(C)Oc1ncc(Cl)cc1Br ZINC000162853317 346180149 /nfs/dbraw/zinc/18/01/49/346180149.db2.gz UDIMFNSFRYXOAF-UHFFFAOYSA-N 0 0 274.545 3.288 10 30 CGEERN Cc1ccc(C(=O)C2=CCCO2)c(Br)c1 ZINC000168376957 346190348 /nfs/dbraw/zinc/19/03/48/346190348.db2.gz ILOUOXAPAZQCOF-UHFFFAOYSA-N 0 0 267.122 3.244 10 30 CGEERN COc1cc(Cl)cc(CC#N)c1Br ZINC000218072565 346292954 /nfs/dbraw/zinc/29/29/54/346292954.db2.gz PFGUYLQWSIQVAZ-UHFFFAOYSA-N 0 0 260.518 3.177 10 30 CGEERN C[C@](C#N)(CC1CC1)c1cnc(C(F)(F)F)nc1 ZINC000217349790 346291154 /nfs/dbraw/zinc/29/11/54/346291154.db2.gz OUEWXBGUUXBDHW-LLVKDONJSA-N 0 0 255.243 3.077 10 30 CGEERN C#CCCC(=O)c1cccc(C)c1I ZINC000235776750 346336821 /nfs/dbraw/zinc/33/68/21/346336821.db2.gz DTXTZKXHFCYBFM-UHFFFAOYSA-N 0 0 298.123 3.196 10 30 CGEERN O=C(c1cc(F)ccc1F)C(F)(F)C(F)(F)F ZINC000236158914 346339983 /nfs/dbraw/zinc/33/99/83/346339983.db2.gz ZEQXTCWPZOKPAY-UHFFFAOYSA-N 0 0 260.108 3.345 10 30 CGEERN O=[N+]([O-])c1cccc(C=Nc2ccc3c[nH]nc3c2)c1 ZINC000257352575 346399947 /nfs/dbraw/zinc/39/99/47/346399947.db2.gz MBLURMWIWSTLMY-UHFFFAOYSA-N 0 0 266.260 3.222 10 30 CGEERN CN(C=[NH+]c1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000257354358 346399954 /nfs/dbraw/zinc/39/99/54/346399954.db2.gz XHISAOSCQLEAFC-UHFFFAOYSA-N 0 0 254.289 3.181 10 30 CGEERN C[C@H](CC(=O)N[C@H]1CCC[C@H]1C#N)CC(C)(C)C ZINC000251636570 346389253 /nfs/dbraw/zinc/38/92/53/346389253.db2.gz RQNIRIUZGZIAPV-AGIUHOORSA-N 0 0 250.386 3.257 10 30 CGEERN CC[C@@H](C#N)Nc1cc(F)cc(Br)c1 ZINC000306643937 346456342 /nfs/dbraw/zinc/45/63/42/346456342.db2.gz YECQGWIPWZMQOR-VIFPVBQESA-N 0 0 257.106 3.302 10 30 CGEERN Cc1cc(N[C@@H](C)COCc2ccccc2)cc(C#N)n1 ZINC000308274644 346466101 /nfs/dbraw/zinc/46/61/01/346466101.db2.gz CZFMRTYRIOBUGT-AWEZNQCLSA-N 0 0 281.359 3.279 10 30 CGEERN CCC(C#N)(CC)C(=O)N[C@@H](C)COCc1ccccc1 ZINC000390754269 346574201 /nfs/dbraw/zinc/57/42/01/346574201.db2.gz FYVNNJIEPUGKFR-AWEZNQCLSA-N 0 0 288.391 3.038 10 30 CGEERN COCCNc1ccc(-c2ccc(C#N)s2)cc1C#N ZINC000536955740 346650482 /nfs/dbraw/zinc/65/04/82/346650482.db2.gz SONXJVLWQGJQHQ-UHFFFAOYSA-N 0 0 283.356 3.217 10 30 CGEERN N#Cc1ccc(C(F)(F)F)c(CO)c1C(F)(F)F ZINC000514260807 346635700 /nfs/dbraw/zinc/63/57/00/346635700.db2.gz MEHWQDLACZCBRC-UHFFFAOYSA-N 0 0 269.144 3.088 10 30 CGEERN N#CCc1cc(C(F)(F)F)cnc1C(F)(F)F ZINC000514262635 346636260 /nfs/dbraw/zinc/63/62/60/346636260.db2.gz RBPLIUVJMUSWIE-UHFFFAOYSA-N 0 0 254.133 3.185 10 30 CGEERN CCOC(=O)c1c2c(C#N)cn(C(C)(C)C)c2ncc1C ZINC000584662015 346706322 /nfs/dbraw/zinc/70/63/22/346706322.db2.gz MWLMEOCSAJBMMD-UHFFFAOYSA-N 0 0 285.347 3.148 10 30 CGEERN CSc1ccc(C#C[C@H](O)c2cccc(O)c2)cc1 ZINC000584595763 346687067 /nfs/dbraw/zinc/68/70/67/346687067.db2.gz PDQWBBVTJXNMLC-INIZCTEOSA-N 0 0 270.353 3.199 10 30 CGEERN CCOC(=O)C[C@@H]1CCC[C@@H](CCC#N)/C1=C\OC ZINC000584600677 346689217 /nfs/dbraw/zinc/68/92/17/346689217.db2.gz UHMNQWISVSSBTD-UBZWLNIWSA-N 0 0 265.353 3.190 10 30 CGEERN CC(C)O[C@@](O)(C=O)c1ccc(-c2ccccc2)cc1 ZINC000584611805 346692722 /nfs/dbraw/zinc/69/27/22/346692722.db2.gz XPOAGEQWTNMKRY-KRWDZBQOSA-N 0 0 270.328 3.123 10 30 CGEERN COc1cccc([C@]23CCC(=O)C(C)=C2CCCC3=O)c1 ZINC000584615946 346693871 /nfs/dbraw/zinc/69/38/71/346693871.db2.gz YROKLMIZGCUFHO-GOSISDBHSA-N 0 0 284.355 3.365 10 30 CGEERN O=C1C=C[C@@H](O)O[C@@H]1c1ccc2oc3ccccc3c2c1 ZINC000584625556 346697041 /nfs/dbraw/zinc/69/70/41/346697041.db2.gz KDPBPVOBQGJOBS-DLBZAZTESA-N 0 0 280.279 3.101 10 30 CGEERN N#CC1CN(C2c3ccccc3CCc3ccccc32)C1 ZINC000584631127 346698939 /nfs/dbraw/zinc/69/89/39/346698939.db2.gz VZNYXYORZOESQJ-UHFFFAOYSA-N 0 0 274.367 3.330 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1cscc1C(F)(F)F ZINC000598690151 347679468 /nfs/dbraw/zinc/67/94/68/347679468.db2.gz JLEADULATFFPJX-XVKPBYJWSA-N 0 0 288.294 3.189 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1csc(C(F)(F)F)c1 ZINC000599630575 347759821 /nfs/dbraw/zinc/75/98/21/347759821.db2.gz SIMOYQUXEYTWPM-IONNQARKSA-N 0 0 288.294 3.189 10 30 CGEERN CCCCCCCC(=O)N(CC)C[C@H](C)C(N)=S ZINC000103407505 185838375 /nfs/dbraw/zinc/83/83/75/185838375.db2.gz DLXNDMCYGMSBRY-LBPRGKRZSA-N 0 0 272.458 3.118 10 30 CGEERN COC(=O)C1=CC[C@H]([C@H](C)CC(=O)C=C(C)C)CC1 ZINC000004098258 290864188 /nfs/dbraw/zinc/86/41/88/290864188.db2.gz DEMNMQDWPCIOLA-OLZOCXBDSA-N 0 0 264.365 3.447 10 30 biogenic,in-vitro CGEERN CC(=O)N1CCc2ccccc2[C@@H]1c1ccc(C#N)cc1 ZINC000616583592 348836360 /nfs/dbraw/zinc/83/63/60/348836360.db2.gz FQCJIDHIRQSIOK-SFHVURJKSA-N 0 0 276.339 3.052 10 30 CGEERN CC(=O)N1c2ccccc2NC[C@@H]1c1cccc(C#N)c1 ZINC000616585771 348836936 /nfs/dbraw/zinc/83/69/36/348836936.db2.gz UGWXXPQFNBIPRF-QGZVFWFLSA-N 0 0 277.327 3.078 10 30 CGEERN CC(=O)N1C[C@@H](c2ccc(C#N)cc2)Cc2ccccc21 ZINC000616670200 348861179 /nfs/dbraw/zinc/86/11/79/348861179.db2.gz DRWSSAVCUPJCAY-KRWDZBQOSA-N 0 0 276.339 3.251 10 30 CGEERN N#Cc1ccc2c(c1)O[C@@](F)(Cl)[C@@](F)(Cl)O2 ZINC000091252452 180114622 /nfs/dbraw/zinc/11/46/22/180114622.db2.gz PFKJVDZATHNTLQ-DTWKUNHWSA-N 0 0 266.030 3.054 10 30 CGEERN C=CCN(C)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000155475098 188209501 /nfs/dbraw/zinc/20/95/01/188209501.db2.gz OWCUUKPQNQHADJ-CYBMUJFWSA-N 0 0 274.364 3.116 10 30 CGEERN N#Cc1ccc2c(c1)SCC(=O)N2c1ccc(F)cc1 ZINC000096028768 283196936 /nfs/dbraw/zinc/19/69/36/283196936.db2.gz FLUYZLIAAIQKRG-UHFFFAOYSA-N 0 0 284.315 3.468 10 30 CGEERN CCS[C@@H]1CC[C@@]1(O)CNc1ccc(C#N)c(Cl)c1 ZINC000301485536 201024070 /nfs/dbraw/zinc/02/40/70/201024070.db2.gz HEXDOLGKBRCMSF-ZIAGYGMSSA-N 0 0 296.823 3.270 10 30 CGEERN Cc1cc(Oc2ccc(-c3nnco3)cc2)c(C#N)c(C)n1 ZINC000301773726 201187794 /nfs/dbraw/zinc/18/77/94/201187794.db2.gz KGHJLSLZSZEPQN-UHFFFAOYSA-N 0 0 292.298 3.412 10 30 CGEERN CC(=O)c1ccc(C#N)c(N(C)Cc2nc(C)cs2)c1 ZINC000302040609 201315046 /nfs/dbraw/zinc/31/50/46/201315046.db2.gz RHEUIIZZTVKIFY-UHFFFAOYSA-N 0 0 285.372 3.162 10 30 CGEERN CC(=O)c1ccc(C#N)cc1N1C[C@H]2CC=CC[C@@H]2C1 ZINC000302111355 201345180 /nfs/dbraw/zinc/34/51/80/201345180.db2.gz PPMAQIUTZWTZMC-HUUCEWRRSA-N 0 0 266.344 3.163 10 30 CGEERN COc1ccc(CNc2cc(C)nc(C)c2C#N)cc1 ZINC000211089386 189686808 /nfs/dbraw/zinc/68/68/08/189686808.db2.gz XERSZJYYGMWLLL-UHFFFAOYSA-N 0 0 267.332 3.191 10 30 CGEERN Cc1ccc(CN(C)c2nnc(C)c(C)c2C#N)cc1F ZINC000302743394 201536056 /nfs/dbraw/zinc/53/60/56/201536056.db2.gz ZVYQQWPCSMUUPQ-UHFFFAOYSA-N 0 0 284.338 3.049 10 30 CGEERN CC(C)C1=Cc2ccc3c(c2C(=O)C1=O)CCCC3=O ZINC000013821919 368668773 /nfs/dbraw/zinc/66/87/73/368668773.db2.gz OFBWLFBAAKZPJH-UHFFFAOYSA-N 0 0 268.312 3.010 10 30 CGEERN CCCCCC(=O)/C=C/I ZINC000038294508 369146008 /nfs/dbraw/zinc/14/60/08/369146008.db2.gz LRJFQILVAYLBBP-VOTSOKGWSA-N 0 0 252.095 3.085 10 30 CGEERN Cc1[nH]c2ccc(C(=O)N[C@H]3CCC[C@H]3C#N)cc2c1C ZINC000061890873 369610913 /nfs/dbraw/zinc/61/09/13/369610913.db2.gz MKKREKAMZMLCFZ-ZFWWWQNUSA-N 0 0 281.359 3.207 10 30 CGEERN C[C@@]1(S)CCCN(C(=O)OCc2ccccc2)C1 ZINC000095089639 370173899 /nfs/dbraw/zinc/17/38/99/370173899.db2.gz WAUCWUSHACMXDT-CQSZACIVSA-N 0 0 265.378 3.108 10 30 CGEERN CC(=O)c1ccc(C#N)cc1OCCC(F)(F)F ZINC000098095760 370263800 /nfs/dbraw/zinc/26/38/00/370263800.db2.gz OHTKALJYRYYPIW-UHFFFAOYSA-N 0 0 257.211 3.092 10 30 CGEERN Cc1cc(NCCc2ccccc2F)c(C#N)c(C)n1 ZINC000133751788 371277468 /nfs/dbraw/zinc/27/74/68/371277468.db2.gz CZNBYQSGTZUNHA-UHFFFAOYSA-N 0 0 269.323 3.364 10 30 CGEERN COc1ccc([C@@H](C)NCc2ccc(C#N)o2)cc1OC ZINC000135155830 371395765 /nfs/dbraw/zinc/39/57/65/371395765.db2.gz OAGONWGGRJLMSM-LLVKDONJSA-N 0 0 286.331 3.019 10 30 CGEERN CCC[C@@H](NCc1cccc(C#N)c1)C(=O)OC(C)(C)C ZINC000156587814 371986109 /nfs/dbraw/zinc/98/61/09/371986109.db2.gz YVUQJKMNMAANLC-OAHLLOKOSA-N 0 0 288.391 3.158 10 30 CGEERN CC[C@@H](C#N)C(=O)c1cccc(F)c1Br ZINC000155862907 371950340 /nfs/dbraw/zinc/95/03/40/371950340.db2.gz GKHRUOKHUCQGDL-ZETCQYMHSA-N 0 0 270.101 3.321 10 30 CGEERN C=CCCCC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000176074065 373553880 /nfs/dbraw/zinc/55/38/80/373553880.db2.gz IILJRECCBABEAT-CQSZACIVSA-N 0 0 283.375 3.406 10 30 CGEERN N#Cc1nc(SC2CCCCC2)ccc1[N+](=O)[O-] ZINC000302753597 373952250 /nfs/dbraw/zinc/95/22/50/373952250.db2.gz VYKZQDNUJWFMKX-UHFFFAOYSA-N 0 0 263.322 3.286 10 30 CGEERN C[C@@H]1CC(=O)Oc2cc(Oc3ccc(C#N)cn3)ccc21 ZINC000302818286 373973465 /nfs/dbraw/zinc/97/34/65/373973465.db2.gz IXHZMJKLDNVTOA-SNVBAGLBSA-N 0 0 280.283 3.158 10 30 CGEERN CCc1ccc([C@H]2CCCCN2C(=O)NC[C@@H](C)C#N)o1 ZINC000182778093 374326562 /nfs/dbraw/zinc/32/65/62/374326562.db2.gz GPIITDBFSXKABI-GXTWGEPZSA-N 0 0 289.379 3.238 10 30 CGEERN O=C(N[C@@H]1CCC(=O)NC12CCC2)[C@@H]1CCCCS1 ZINC000328713053 374377032 /nfs/dbraw/zinc/37/70/32/374377032.db2.gz BVSQDQDTAOZFAA-WDEREUQCSA-N 0 0 282.409 3.270 10 30 CGEERN C[C@]1(CNC(=O)C[C@@H]2CCCCC(=O)N2)CCCC[C@H]1O ZINC000328687328 374377270 /nfs/dbraw/zinc/37/72/70/374377270.db2.gz YZMBDQISZKURMV-WOSRLPQWSA-N 0 0 296.411 3.173 10 30 CGEERN CCc1nc2cc(NC(=O)N3C[C@@H]4CCC[C@@H]43)ccc2o1 ZINC000329927479 374442150 /nfs/dbraw/zinc/44/21/50/374442150.db2.gz LQSBTDKLQGTMRQ-GWCFXTLKSA-N 0 0 285.347 3.420 10 30 CGEERN C=C(Cl)CN1CCC[C@H](c2nc(C)cs2)C1 ZINC000195440549 376103397 /nfs/dbraw/zinc/10/33/97/376103397.db2.gz PTTMHQRWXLGHDM-NSHDSACASA-N 0 0 256.802 3.383 10 30 CGEERN O=CC[C@H](Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000199872659 376124258 /nfs/dbraw/zinc/12/42/58/376124258.db2.gz FMFQSJXKQNFGAZ-OAHLLOKOSA-N 0 0 268.312 3.331 10 30 CGEERN CCC1(CNc2ccc([N+](=O)[O-])c(C#N)n2)CCCC1 ZINC000232952115 376591980 /nfs/dbraw/zinc/59/19/80/376591980.db2.gz XNUFJTURAKZVQF-UHFFFAOYSA-N 0 0 274.324 3.244 10 30 CGEERN C[C@H]1CCC[C@H](CCNc2ccc([N+](=O)[O-])c(C#N)n2)C1 ZINC000235602609 376645322 /nfs/dbraw/zinc/64/53/22/376645322.db2.gz BDLNUAXNTVWQAD-NWDGAFQWSA-N 0 0 288.351 3.490 10 30 CGEERN C[C@@H](Nc1ccc(C#N)nc1)c1ccccc1[N+](=O)[O-] ZINC000341001044 377351320 /nfs/dbraw/zinc/35/13/20/377351320.db2.gz XLHKWBQCODBIOZ-SNVBAGLBSA-N 0 0 268.276 3.035 10 30 CGEERN Cc1ccc(C=NNC(=S)Nc2ccc(F)cc2F)o1 ZINC000254310814 377705816 /nfs/dbraw/zinc/70/58/16/377705816.db2.gz HJSYXTSAXPIPQM-UHFFFAOYSA-N 0 0 295.314 3.187 10 30 CGEERN CCn1nc(C)c(C=NN=c2[nH]c3ccccc3o2)c1C ZINC000254294756 377705726 /nfs/dbraw/zinc/70/57/26/377705726.db2.gz LQCFZMAJLDTXDS-UHFFFAOYSA-N 0 0 283.335 3.107 10 30 CGEERN CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2C#N)C1 ZINC000260861657 377809799 /nfs/dbraw/zinc/80/97/99/377809799.db2.gz JRSJMORYEZHUFE-ZDUSSCGKSA-N 0 0 272.348 3.283 10 30 CGEERN N#Cc1c(CO)ccc(C(F)(F)F)c1C(F)(F)F ZINC000575379300 377891684 /nfs/dbraw/zinc/89/16/84/377891684.db2.gz CVAMKENQNNMYCY-UHFFFAOYSA-N 0 0 269.144 3.088 10 30 CGEERN CCOC(=O)c1ccc(OC(F)(F)F)c(Cl)c1C#N ZINC000575382866 377892749 /nfs/dbraw/zinc/89/27/49/377892749.db2.gz JRSJFMHUQNFLSB-UHFFFAOYSA-N 0 0 293.628 3.287 10 30 CGEERN CCOC(=O)c1ccc(C(F)F)c(C#N)c1CC ZINC000575389785 377897285 /nfs/dbraw/zinc/89/72/85/377897285.db2.gz SABZKVZKOLDTCC-UHFFFAOYSA-N 0 0 253.248 3.235 10 30 CGEERN N#CCc1cc(OC(F)F)cc(C#N)c1C(F)(F)F ZINC000575639378 377925071 /nfs/dbraw/zinc/92/50/71/377925071.db2.gz QUZAFSYFVSPJFE-UHFFFAOYSA-N 0 0 276.164 3.245 10 30 CGEERN N#Cc1cc(OC(F)F)c(F)c(OC(F)(F)F)c1 ZINC000575658570 377935032 /nfs/dbraw/zinc/93/50/32/377935032.db2.gz CCUBCDBAWJDTEL-UHFFFAOYSA-N 0 0 271.116 3.197 10 30 CGEERN COc1cc(OC(F)F)c(CC#N)c(C(F)(F)F)c1 ZINC000575665596 377941875 /nfs/dbraw/zinc/94/18/75/377941875.db2.gz QXFCREOKILGPKS-UHFFFAOYSA-N 0 0 281.180 3.381 10 30 CGEERN N#CCc1cc(OC(F)F)c([N+](=O)[O-])cc1C(F)(F)F ZINC000575666393 377943138 /nfs/dbraw/zinc/94/31/38/377943138.db2.gz KUZRZZJYGWLYTP-UHFFFAOYSA-N 0 0 296.151 3.281 10 30 CGEERN N#CCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1OC(F)F ZINC000575668187 377944944 /nfs/dbraw/zinc/94/49/44/377944944.db2.gz UQTJVAVJGXOOSF-UHFFFAOYSA-N 0 0 296.151 3.281 10 30 CGEERN CCOc1cc(Br)c(CC#N)c(OCC)c1 ZINC000575680673 377954775 /nfs/dbraw/zinc/95/47/75/377954775.db2.gz HJZHDIXKPSUXIK-UHFFFAOYSA-N 0 0 284.153 3.313 10 30 CGEERN Cc1c(Br)ccc(C#N)c1OC(F)F ZINC000575683793 377958255 /nfs/dbraw/zinc/95/82/55/377958255.db2.gz SJRIEGOGZAPTNL-UHFFFAOYSA-N 0 0 262.053 3.231 10 30 CGEERN COc1ccc(C(F)F)c(Br)c1CC#N ZINC000575686124 377961382 /nfs/dbraw/zinc/96/13/82/377961382.db2.gz OZEUJEPXXGLKPB-UHFFFAOYSA-N 0 0 276.080 3.461 10 30 CGEERN N#Cc1cc(OC(F)(F)F)cc(Br)c1F ZINC000575689445 377964092 /nfs/dbraw/zinc/96/40/92/377964092.db2.gz LFABWVGDNFHGRP-UHFFFAOYSA-N 0 0 284.006 3.358 10 30 CGEERN N#Cc1cc(F)c(Br)cc1C(F)(F)F ZINC000575688808 377964274 /nfs/dbraw/zinc/96/42/74/377964274.db2.gz SISYFRNMPYFOEG-UHFFFAOYSA-N 0 0 268.007 3.479 10 30 CGEERN N#CCc1cc([N+](=O)[O-])c(Cl)cc1C(F)(F)F ZINC000575693770 377967864 /nfs/dbraw/zinc/96/78/64/377967864.db2.gz GAFXWCBKXDLYJT-UHFFFAOYSA-N 0 0 264.590 3.333 10 30 CGEERN N#CCc1cc(C(F)(F)F)cc(Cl)c1[N+](=O)[O-] ZINC000575694774 377969202 /nfs/dbraw/zinc/96/92/02/377969202.db2.gz NMCRMPABWKJSNZ-UHFFFAOYSA-N 0 0 264.590 3.333 10 30 CGEERN CCc1c(C=O)ccc(OC(F)(F)F)c1CC#N ZINC000575702212 377976080 /nfs/dbraw/zinc/97/60/80/377976080.db2.gz GXIKQZLWZNUMDS-UHFFFAOYSA-N 0 0 257.211 3.026 10 30 CGEERN CCc1cc(OC(F)(F)F)c(C=O)cc1CC#N ZINC000575703049 377976189 /nfs/dbraw/zinc/97/61/89/377976189.db2.gz PZHFLAPMPNTHBH-UHFFFAOYSA-N 0 0 257.211 3.026 10 30 CGEERN CC(CC1CCC1)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000584627940 378395032 /nfs/dbraw/zinc/39/50/32/378395032.db2.gz WAOJMAQAWBXNGJ-NTEUORMPSA-N 0 0 292.295 3.481 10 30 CGEERN N#Cc1ccc(Nc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000584628482 378395315 /nfs/dbraw/zinc/39/53/15/378395315.db2.gz IMKYXYOGVAZWRO-UHFFFAOYSA-N 0 0 274.667 3.258 10 30 CGEERN CCC1CCC(NC(=O)c2cc(C#N)oc2C)CC1 ZINC000280630121 379750505 /nfs/dbraw/zinc/75/05/05/379750505.db2.gz STYXFTYAJDJJIL-UHFFFAOYSA-N 0 0 260.337 3.158 10 30 CGEERN CCCCCCC[N@@H+]1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000366823466 382317257 /nfs/dbraw/zinc/31/72/57/382317257.db2.gz UTAXPYHDUIJEDF-DZGCQCFKSA-N 0 0 253.386 3.144 10 30 CGEERN N#Cc1ccc(-c2ccc3c(c2)OCCCO3)nc1Cl ZINC000043401899 184557473 /nfs/dbraw/zinc/55/74/73/184557473.db2.gz JOPUNGMHBHLOPV-UHFFFAOYSA-N 0 0 286.718 3.435 10 30 CGEERN COC1(c2noc([C@@]3(C#N)CC34CCCC4)n2)CCCC1 ZINC000333889790 533030990 /nfs/dbraw/zinc/03/09/90/533030990.db2.gz YMPISPHSSUNMHI-HNNXBMFYSA-N 0 0 287.363 3.211 10 30 CGEERN O=C(NC[C@@H]1CCC[C@@H]1O)c1scnc1C1CCCC1 ZINC000329449067 542446791 /nfs/dbraw/zinc/44/67/91/542446791.db2.gz DEYSPXVWGYODNS-RYUDHWBXSA-N 0 0 294.420 3.266 10 30 CGEERN C=C[C@@](C)(CC)C(=O)N[C@H](C)c1ccc(OC)c(OC)c1 ZINC000134929262 392469838 /nfs/dbraw/zinc/46/98/38/392469838.db2.gz CVOHBKTWEVPZGQ-PXAZEXFGSA-N 0 0 291.391 3.483 10 30 CGEERN N#Cc1ccc(C(F)(F)F)nc1NCCC1=CCOCC1 ZINC000158116365 392557267 /nfs/dbraw/zinc/55/72/67/392557267.db2.gz UJUDPCAKFOPRLE-UHFFFAOYSA-N 0 0 297.280 3.121 10 30 CGEERN CCO[C@H]1C[C@H](N(C)c2ccc(C#N)cn2)C12CCCC2 ZINC000156883094 392549666 /nfs/dbraw/zinc/54/96/66/392549666.db2.gz WJMYQPXPQVKJTL-GJZGRUSLSA-N 0 0 285.391 3.127 10 30 CGEERN Cc1ncoc1C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000329505505 392684208 /nfs/dbraw/zinc/68/42/08/392684208.db2.gz LIGSDTMWUUVQAI-UHFFFAOYSA-N 0 0 260.337 3.112 10 30 CGEERN N#CCCN(CC(F)(F)F)C(=O)c1ccc2cc[nH]c2c1 ZINC000177627247 392664096 /nfs/dbraw/zinc/66/40/96/392664096.db2.gz ATACBCUTAMQFIU-UHFFFAOYSA-N 0 0 295.264 3.086 10 30 CGEERN Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1C ZINC000186251340 392780436 /nfs/dbraw/zinc/78/04/36/392780436.db2.gz UKBCKWYVCIIQNC-SFHVURJKSA-N 0 0 294.402 3.036 10 30 CGEERN C[C@H](NC(=O)c1ccnc(C#N)c1)c1ccc(Cl)cc1 ZINC000195027704 392952529 /nfs/dbraw/zinc/95/25/29/392952529.db2.gz JMNJNMDWBHSDJT-JTQLQIEISA-N 0 0 285.734 3.098 10 30 CGEERN C[C@@H](C#N)Oc1cc(Br)cc(F)c1F ZINC000219874939 393003947 /nfs/dbraw/zinc/00/39/47/393003947.db2.gz OLNYZOVMWIQMOO-YFKPBYRVSA-N 0 0 262.053 3.018 10 30 CGEERN Cc1nn(C[C@H]2C[C@@H]2c2ccccc2)c(C)c1C#N ZINC000575602631 393201732 /nfs/dbraw/zinc/20/17/32/393201732.db2.gz RGCVVAITUNPWAJ-HUUCEWRRSA-N 0 0 251.333 3.175 10 30 CGEERN COc1ccc(-c2ccnc(Br)c2C#N)cc1 ZINC000575602425 393201894 /nfs/dbraw/zinc/20/18/94/393201894.db2.gz ONNAZTNXNVAXMG-UHFFFAOYSA-N 0 0 289.132 3.391 10 30 CGEERN CC[C@H](S)C(=O)Nc1cccc(Br)c1 ZINC000306213796 397677098 /nfs/dbraw/zinc/67/70/98/397677098.db2.gz XUEBDNUIOTUADY-VIFPVBQESA-N 0 0 274.183 3.096 10 30 CGEERN N#Cc1nc2c(cc(Br)cc2Cl)o1 ZINC000675057470 543311816 /nfs/dbraw/zinc/31/18/16/543311816.db2.gz CPXRQDSKXVQVPT-UHFFFAOYSA-N 0 0 257.474 3.115 10 30 CGEERN CC(C)(C)OC(=O)C#Cc1ccc(Br)c(F)c1 ZINC000675078711 543313585 /nfs/dbraw/zinc/31/35/85/543313585.db2.gz JLYMIOSBUADRPD-UHFFFAOYSA-N 0 0 299.139 3.281 10 30 CGEERN C=C[C@H]([C@H](O)c1ccc(C)cc1)n1nnc2ccccc21 ZINC000005416581 170096313 /nfs/dbraw/zinc/09/63/13/170096313.db2.gz VKCVSTIYYRKGRJ-NVXWUHKLSA-N 0 0 279.343 3.200 10 30 CGEERN CNC(=S)N=NCc1cccc(OCc2ccccc2)c1 ZINC000005548916 170112114 /nfs/dbraw/zinc/11/21/14/170112114.db2.gz YSWFGHGCKZTLCM-WQRHYEAKSA-N 0 0 299.399 3.105 10 30 CGEERN Cc1ccccc1NN=Cc1cccc([N+](=O)[O-])c1 ZINC000007892098 170306432 /nfs/dbraw/zinc/30/64/32/170306432.db2.gz SWZQVAYJBVVCNA-XNTDXEJSSA-N 0 0 255.277 3.349 10 30 CGEERN COc1ccc(C=NNc2ccccc2C)c(OC)c1 ZINC000007892149 170306592 /nfs/dbraw/zinc/30/65/92/170306592.db2.gz RHMXVEPLHHQBBF-GZTJUZNOSA-N 0 0 270.332 3.458 10 30 CGEERN Cc1oc(C)c(C(=O)Nc2ccc(C#N)cc2)c1C ZINC000008270689 170327765 /nfs/dbraw/zinc/32/77/65/170327765.db2.gz NYZKGVZXSJMIIS-UHFFFAOYSA-N 0 0 254.289 3.329 10 30 CGEERN Cc1cc(C)c(C(=O)ON=C2C=CC(=NO)C=C2)c(C)c1 ZINC000008300600 170329975 /nfs/dbraw/zinc/32/99/75/170329975.db2.gz SSZCBNSOUMTQMC-UHFFFAOYSA-N 0 0 284.315 3.081 10 30 CGEERN N#Cc1ccccc1NC(=O)c1cc2c(s1)CCC2 ZINC000019426833 170795540 /nfs/dbraw/zinc/79/55/40/170795540.db2.gz PTLSCXCVPGQPST-UHFFFAOYSA-N 0 0 268.341 3.361 10 30 CGEERN COc1cc([C@H](C)Nc2ccccc2C#N)ccc1O ZINC000019921699 170928752 /nfs/dbraw/zinc/92/87/52/170928752.db2.gz VRHVSWGFMQWDSQ-NSHDSACASA-N 0 0 268.316 3.446 10 30 CGEERN CC(C)CS[C@H](C)C(=O)Nc1ccc(C#N)cc1 ZINC000020297579 171137674 /nfs/dbraw/zinc/13/76/74/171137674.db2.gz DNVKMIAVEXWURR-LLVKDONJSA-N 0 0 262.378 3.274 10 30 CGEERN Brc1ccc2cc(OC[C@@H]3CO3)ccc2c1 ZINC000022161676 171364245 /nfs/dbraw/zinc/36/42/45/171364245.db2.gz DKSTXGJXBCORFI-CYBMUJFWSA-N 0 0 279.133 3.380 10 30 CGEERN CC(=O)N(/C=C\C(=O)C(C)(C)C)OCc1ccccc1 ZINC000027332259 171514171 /nfs/dbraw/zinc/51/41/71/171514171.db2.gz LGZOXZSUMPXIQD-KHPPLWFESA-N 0 0 275.348 3.096 10 30 CGEERN CNC(=S)N1CCS[C@@H]1c1ccc(Cl)cc1 ZINC000027523762 171519309 /nfs/dbraw/zinc/51/93/09/171519309.db2.gz CXXQTNPMAUAAPP-SNVBAGLBSA-N 0 0 272.826 3.303 10 30 CGEERN C=CCN1N=C(/C=C\c2ccc(C)cc2)CCC1=O ZINC000033336585 171785153 /nfs/dbraw/zinc/78/51/53/171785153.db2.gz OLNUVUWYKHXCQP-HJWRWDBZSA-N 0 0 254.333 3.173 10 30 CGEERN Cc1ccc(C)c(OCC(=O)c2ccc(C#N)cc2)c1 ZINC000035224896 172069707 /nfs/dbraw/zinc/06/97/07/172069707.db2.gz LLAXQKYCUXDHLB-UHFFFAOYSA-N 0 0 265.312 3.437 10 30 CGEERN N/C(CCCSc1ccc2ccccc2c1)=N\O ZINC000035676491 172347119 /nfs/dbraw/zinc/34/71/19/172347119.db2.gz GHYALXXDVWLAIN-UHFFFAOYSA-N 0 0 260.362 3.459 10 30 CGEERN N#CC1(S(=O)(=O)c2cc(Cl)ccc2Cl)CCC1 ZINC000035676693 172347268 /nfs/dbraw/zinc/34/72/68/172347268.db2.gz XQBLEMYPEXAVDA-UHFFFAOYSA-N 0 0 290.171 3.213 10 30 CGEERN N#Cc1c(F)cccc1NC(=O)c1cc(F)ccc1F ZINC000036157142 172478590 /nfs/dbraw/zinc/47/85/90/172478590.db2.gz OPIQUVXAFJAEBM-UHFFFAOYSA-N 0 0 276.217 3.228 10 30 CGEERN CCOC(=O)[C@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000044197764 175153371 /nfs/dbraw/zinc/15/33/71/175153371.db2.gz DIMUOIODQKPTPZ-MRVPVSSYSA-N 0 0 258.104 3.164 10 30 CGEERN C[C@H](NC(=O)C1(C#N)CCCC1)c1ccccc1F ZINC000044293322 175160139 /nfs/dbraw/zinc/16/01/39/175160139.db2.gz HHKOHPSXCWUPHY-NSHDSACASA-N 0 0 260.312 3.087 10 30 CGEERN C#CC[C@H](O)c1cccc(OCc2ccccc2)c1 ZINC000075421097 176702858 /nfs/dbraw/zinc/70/28/58/176702858.db2.gz CBGUCRYRSNIXRE-KRWDZBQOSA-N 0 0 252.313 3.322 10 30 CGEERN Cc1ccn(-c2ccccc2NC(=O)N2C[C@H]3CCC[C@H]32)n1 ZINC000329977912 228004605 /nfs/dbraw/zinc/00/46/05/228004605.db2.gz GOYMMQAYQJUGOU-UKRRQHHQSA-N 0 0 296.374 3.211 10 30 CGEERN C[C@H](CC1CC1)NC(=O)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000330076883 228033725 /nfs/dbraw/zinc/03/37/25/228033725.db2.gz DYYIHFZFXIMOQF-BYCMXARLSA-N 0 0 274.364 3.304 10 30 CGEERN C[C@H]1OCC[C@H]1NC(=O)NCC1(C)CCCCCC1 ZINC000330226264 228072232 /nfs/dbraw/zinc/07/22/32/228072232.db2.gz UJKUHIRBXJCVKL-CHWSQXEVSA-N 0 0 268.401 3.028 10 30 CGEERN C[C@H]1C[C@H]1NC(=O)c1ccccc1Oc1ccccc1C#N ZINC000181612250 260598215 /nfs/dbraw/zinc/59/82/15/260598215.db2.gz ZDYHPCXJCXJBDS-SWLSCSKDSA-N 0 0 292.338 3.489 10 30 CGEERN C[C@@H](CC(=O)NC1(C#N)CCCCC1)C(C)(C)C ZINC000111617679 261528899 /nfs/dbraw/zinc/52/88/99/261528899.db2.gz ZQWDWNJPVUVIDA-LBPRGKRZSA-N 0 0 250.386 3.401 10 30 CGEERN Cc1ccc2c(c1)[C@H](NC(=O)C1(C#N)CCCC1)[C@H](C)C2 ZINC000182192644 261928473 /nfs/dbraw/zinc/92/84/73/261928473.db2.gz BNIGLLSYXUXTMB-CZUORRHYSA-N 0 0 282.387 3.429 10 30 CGEERN COc1cccc(CN[C@@H]2CCC[C@H]2C#N)c1OC(F)F ZINC000061891928 262405462 /nfs/dbraw/zinc/40/54/62/262405462.db2.gz HYAWJGJPGOLDSM-CMPLNLGQSA-N 0 0 296.317 3.078 10 30 CGEERN C=CCCS(=O)(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000119899084 263277720 /nfs/dbraw/zinc/27/77/20/263277720.db2.gz UZCLUUUYSBUDEV-SECBINFHSA-N 0 0 291.775 3.036 10 30 CGEERN C=C(Cl)CN1CCC(Nc2ccccc2F)CC1 ZINC000126454151 264218142 /nfs/dbraw/zinc/21/81/42/264218142.db2.gz RNBMLMREIFHZBE-UHFFFAOYSA-N 0 0 268.763 3.455 10 30 CGEERN C=CC[C@@H](C)[C@@H](C)Nc1cnn(-c2ncccc2C#N)c1 ZINC000186001011 265632520 /nfs/dbraw/zinc/63/25/20/265632520.db2.gz CYMNLKRWQHMLNU-CHWSQXEVSA-N 0 0 281.363 3.152 10 30 CGEERN C=CC[C@H](C)NC(=O)N1CC=C(c2ccccc2)CC1 ZINC000116972791 267195226 /nfs/dbraw/zinc/19/52/26/267195226.db2.gz NZTAPDPXLJHMHF-AWEZNQCLSA-N 0 0 270.376 3.450 10 30 CGEERN C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1C ZINC000119312048 267321626 /nfs/dbraw/zinc/32/16/26/267321626.db2.gz CJZAMEYEAFPIII-HZPDHXFCSA-N 0 0 286.419 3.235 10 30 CGEERN Cn1cc(/C=C2/Oc3c(cccc3Cl)C2=O)cc1C#N ZINC000191297312 267779101 /nfs/dbraw/zinc/77/91/01/267779101.db2.gz OTZRHVINCNAZDP-AWNIVKPZSA-N 0 0 284.702 3.166 10 30 CGEERN CCNc1c(C#N)cnc2ccc(Br)cc21 ZINC000048400143 276271194 /nfs/dbraw/zinc/27/11/94/276271194.db2.gz CPNXMYPRNHKXSX-UHFFFAOYSA-N 0 0 276.137 3.301 10 30 CGEERN CC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)C1(C#N)CCCCC1 ZINC000188708250 277262738 /nfs/dbraw/zinc/26/27/38/277262738.db2.gz QWZDWTITNZTNFX-KGLIPLIRSA-N 0 0 292.423 3.028 10 30 CGEERN CO[C@@H]1CCC[C@H](Nc2nc(C(F)(F)F)ccc2C#N)C1 ZINC000301753869 277648466 /nfs/dbraw/zinc/64/84/66/277648466.db2.gz CCMXWULJMIREOO-WDEREUQCSA-N 0 0 299.296 3.342 10 30 CGEERN N#Cc1c(Cl)nc(C(F)(F)F)nc1C(F)(F)F ZINC000096034670 279494055 /nfs/dbraw/zinc/49/40/55/279494055.db2.gz MCANUZJXHITPLD-UHFFFAOYSA-N 0 0 275.539 3.039 10 30 CGEERN Cc1cc(C(=O)N[C@@H]2CCCc3cc(F)ccc32)cnn1 ZINC000329934750 280291705 /nfs/dbraw/zinc/29/17/05/280291705.db2.gz CCFBXIFMXBYEIZ-OAHLLOKOSA-N 0 0 285.322 3.306 10 30 CGEERN Cc1cc(N2CCc3ccc(F)cc32)c(C#N)c(C)n1 ZINC000227593464 301342879 /nfs/dbraw/zinc/34/28/79/301342879.db2.gz YMOZOWHCCOGMMU-UHFFFAOYSA-N 0 0 267.307 3.403 10 30 CGEERN Cc1nc2ccc(NC(=O)N3C[C@@H]4CCC[C@@H]43)cc2o1 ZINC000329945679 302663947 /nfs/dbraw/zinc/66/39/47/302663947.db2.gz FXSQNTLLSXDBGS-GWCFXTLKSA-N 0 0 271.320 3.166 10 30 CGEERN C=CC[C@H](C)NC(=O)N[C@H](C)c1ccc(OC)c(OC)c1 ZINC000116942577 326795309 /nfs/dbraw/zinc/79/53/09/326795309.db2.gz LGKVKMPNXOGSNX-NWDGAFQWSA-N 0 0 292.379 3.029 10 30 CGEERN Cc1cc(Cl)ccc1C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000223201219 329234883 /nfs/dbraw/zinc/23/48/83/329234883.db2.gz CYYFZUPJCLQBSV-GXFFZTMASA-N 0 0 262.740 3.071 10 30 CGEERN C[C@@H](C#N)N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000181867223 329237914 /nfs/dbraw/zinc/23/79/14/329237914.db2.gz XXQJOXIRXQVNBM-NSHDSACASA-N 0 0 271.339 3.398 10 30 CGEERN CC(C)(C#N)CNC(=O)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000167216069 331308112 /nfs/dbraw/zinc/30/81/12/331308112.db2.gz DRBPCTKWRJITHV-UWVGGRQHSA-N 0 0 276.302 3.021 10 30 CGEERN C=CCOc1ccc(CN[C@H](C)c2ncc(C)o2)cc1 ZINC000227556495 333285827 /nfs/dbraw/zinc/28/58/27/333285827.db2.gz VTUZHPPEYQRTNI-CYBMUJFWSA-N 0 0 272.348 3.399 10 30 CGEERN C=CCOCCCC(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000157794274 334784213 /nfs/dbraw/zinc/78/42/13/334784213.db2.gz JVDGDVVVTDFKOK-INIZCTEOSA-N 0 0 291.366 3.302 10 30 CGEERN C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@H]4[C@@H]3CC[C@@]21C ZINC000257373051 518358392 /nfs/dbraw/zinc/35/83/92/518358392.db2.gz VIKNJXKGJWUCNN-FZWBFHRNSA-N 0 0 298.426 3.493 10 30 CGEERN CC(C)(C)c1ccc(-c2ccc(C#N)c(N)n2)cc1 ZINC000050871152 519007810 /nfs/dbraw/zinc/00/78/10/519007810.db2.gz UKYUCQXNEFQGKP-UHFFFAOYSA-N 0 0 251.333 3.500 10 30 CGEERN CC[C@H](C)N(CCOC)c1cccc(Cl)c1C#N ZINC000052908914 523938687 /nfs/dbraw/zinc/93/86/87/523938687.db2.gz FVMKEYLYHNOYEU-NSHDSACASA-N 0 0 266.772 3.463 10 30 CGEERN COc1ccc(CNc2ccc(C#N)cc2Cl)cn1 ZINC000062791219 524099167 /nfs/dbraw/zinc/09/91/67/524099167.db2.gz ISBDWGHHHCFUTC-UHFFFAOYSA-N 0 0 273.723 3.227 10 30 CGEERN C[C@@H](CC#N)[C@@H](O)c1ccc(Br)cc1 ZINC000049840346 524341651 /nfs/dbraw/zinc/34/16/51/524341651.db2.gz DZJRQVIKRYVMJN-GZMMTYOYSA-N 0 0 254.127 3.032 10 30 CGEERN Cc1cc(NCc2ccccc2F)c(C#N)c(C)n1 ZINC000156539342 525280667 /nfs/dbraw/zinc/28/06/67/525280667.db2.gz RQFRWWOOEYNLMK-UHFFFAOYSA-N 0 0 255.296 3.321 10 30 CGEERN C[C@@H](Nc1cc(Cl)ccc1C#N)[C@H]1CCCO1 ZINC000062785286 525696517 /nfs/dbraw/zinc/69/65/17/525696517.db2.gz ZNZOWMUNKWPTSA-NOZJJQNGSA-N 0 0 250.729 3.191 10 30 CGEERN Cc1ccc([C@@H](C)NCc2cccnc2C#N)s1 ZINC000061658237 525733099 /nfs/dbraw/zinc/73/30/99/525733099.db2.gz JGLBGLWKWCWEGK-LLVKDONJSA-N 0 0 257.362 3.174 10 30 CGEERN COc1cccc(SCc2cccnc2C#N)c1 ZINC000061664993 526246208 /nfs/dbraw/zinc/24/62/08/526246208.db2.gz SYCPCFPDTQTYHP-UHFFFAOYSA-N 0 0 256.330 3.254 10 30 CGEERN N#C[C@@H]1CCCOc2c(Br)cccc21 ZINC000062624325 526500395 /nfs/dbraw/zinc/50/03/95/526500395.db2.gz AFFPVMQFUSEYAK-QMMMGPOBSA-N 0 0 252.111 3.229 10 30 CGEERN N#Cc1ccc(NCCc2cccnc2)c(Cl)c1 ZINC000062790957 526663139 /nfs/dbraw/zinc/66/31/39/526663139.db2.gz YHDNYYRQXWGLCZ-UHFFFAOYSA-N 0 0 257.724 3.261 10 30 CGEERN Cc1c(Br)cccc1[C@@]1(C=O)C[C@@H](F)C1 ZINC000725259032 567916931 /nfs/dbraw/zinc/91/69/31/567916931.db2.gz PLXUVESJPUYHKM-WVSHTKLVSA-N 0 0 271.129 3.326 10 30 CGEERN C=C(C)[C@@H]1CC=C(COC(=O)[C@H](C)COC)CC1 ZINC000177693630 618018945 /nfs/dbraw/zinc/01/89/45/618018945.db2.gz KEDHCFZIQWPTRP-TZMCWYRMSA-N 0 0 252.354 3.115 10 30 CGEERN CC(=O)[C@@H]1CCCN(c2cc(Cl)ccc2C#N)C1 ZINC000104417034 620328683 /nfs/dbraw/zinc/32/86/83/620328683.db2.gz XFPCFXCFRSRBBF-GFCCVEGCSA-N 0 0 262.740 3.017 10 30 CGEERN O=C(OCC#Cc1ccccc1)c1cc2c(s1)CCOC2 ZINC000103336140 626325326 /nfs/dbraw/zinc/32/53/26/626325326.db2.gz BIQCPSYCQIIBNZ-UHFFFAOYSA-N 0 0 298.363 3.029 10 30 CGEERN C/C(=C/C(=O)N[C@H](C)C#N)c1ccc(C(F)(F)F)cc1 ZINC000125173061 634631516 /nfs/dbraw/zinc/63/15/16/634631516.db2.gz DHVPTJUXYRXYBB-UJICNMFASA-N 0 0 282.265 3.137 10 30 CGEERN C=CCCO[C@H](C)C(=O)O[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000119665682 629682996 /nfs/dbraw/zinc/68/29/96/629682996.db2.gz DOLFCTXILQSUNP-KFWWJZLASA-N 0 0 296.407 3.249 10 30 CGEERN CC(C)(C)CN(CCC#N)C(=O)CSC(C)(C)C ZINC000104626544 635274523 /nfs/dbraw/zinc/27/45/23/635274523.db2.gz DCJSBSNQQLDTCO-UHFFFAOYSA-N 0 0 270.442 3.306 10 30 CGEERN N#C[C@H](C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1)c1ccccn1 ZINC000109184434 636990651 /nfs/dbraw/zinc/99/06/51/636990651.db2.gz XSVKHXXRIAVAPL-AGIUHOORSA-N 0 0 298.292 3.340 10 30 CGEERN N#C[C@H](C(=O)Cc1ccccc1Cl)c1ccccn1 ZINC000046705811 639998397 /nfs/dbraw/zinc/99/83/97/639998397.db2.gz QSTUVMVSOJCAOT-LBPRGKRZSA-N 0 0 270.719 3.154 10 30 CGEERN CCCCCCCCCC(=O)N1C[C@@H](C)[C@H](CO)C1 ZINC000191820337 640331967 /nfs/dbraw/zinc/33/19/67/640331967.db2.gz WFKIEKRBNKILDS-CABCVRRESA-N 0 0 269.429 3.214 10 30 CGEERN CCOc1cccc(/C=N/[C@H]2COc3ccccc32)c1O ZINC000194595367 640543360 /nfs/dbraw/zinc/54/33/60/640543360.db2.gz BZMXEUYMZFRMHM-XKYMITNMSA-N 0 0 283.327 3.344 10 30 CGEERN C[C@@H](OC(=O)CCc1ccc(C#N)cc1)C1CCC1 ZINC000083149793 640595911 /nfs/dbraw/zinc/59/59/11/640595911.db2.gz KDOQUHOTXKYURS-GFCCVEGCSA-N 0 0 257.333 3.223 10 30 CGEERN CCCCc1ccc(CC(=O)N(C)C(C)(C)C#N)cc1 ZINC000096006647 640818575 /nfs/dbraw/zinc/81/85/75/640818575.db2.gz ZDZSYYGVNQCSRM-UHFFFAOYSA-N 0 0 272.392 3.332 10 30 CGEERN CCCCCCCCCCCC[N+]([O-])(CCO)CCO ZINC000100869141 717144096 /nfs/dbraw/zinc/14/40/96/717144096.db2.gz DZJFABDVWIPEIM-UHFFFAOYSA-N 0 0 289.460 3.207 10 30 CGEERN COc1ccc(O)cc1C(=O)/C=C\c1ccc(F)cc1 ZINC000588410321 799690022 /nfs/dbraw/zinc/69/00/22/799690022.db2.gz AMJUGMYOVUGMSP-YWEYNIOJSA-N 0 0 272.275 3.436 10 30 CGEERN CC(C)(C#N)COC(=O)/C=C\c1ccc(Cl)cc1 ZINC000588418870 799693011 /nfs/dbraw/zinc/69/30/11/799693011.db2.gz BHWNIDQIGUNZOQ-YVMONPNESA-N 0 0 263.724 3.446 10 30 CGEERN Cc1nn(C)c(C)c1C(=O)/C=C\c1cccc2cnccc12 ZINC000588423138 799693084 /nfs/dbraw/zinc/69/30/84/799693084.db2.gz FTENMWZWKWQGJH-FPLPWBNLSA-N 0 0 291.354 3.481 10 30 CGEERN Cc1cc([N+](=O)[O-])ccc1/C=C\C(=O)c1cccnc1 ZINC000588450084 799695927 /nfs/dbraw/zinc/69/59/27/799695927.db2.gz OYTMIHSTLQSRGT-ALCCZGGFSA-N 0 0 268.272 3.194 10 30 CGEERN COc1cc(C(=O)/C=C\c2c(Cl)cnn2C)ccc1F ZINC000588535038 799707132 /nfs/dbraw/zinc/70/71/32/799707132.db2.gz KJRPDZLCAHJJCO-WAYWQWQTSA-N 0 0 294.713 3.117 10 30 CGEERN C#CC[C@@H](OC(=O)/C=C\c1cncc(F)c1)C(C)(C)C ZINC000588540025 799709060 /nfs/dbraw/zinc/70/90/60/799709060.db2.gz IFTUFFLSBUKKPV-WBTMPAOCSA-N 0 0 275.323 3.215 10 30 CGEERN Cn1c(=O)sc2cc(/C=C\C(=O)c3ccccc3)ccc21 ZINC000588598893 799720136 /nfs/dbraw/zinc/72/01/36/799720136.db2.gz BEVUHNUYHJDIFH-NTMALXAHSA-N 0 0 295.363 3.496 10 30 CGEERN N#Cc1ccc(CN2CCCC[C@H]2c2nccs2)o1 ZINC000127660905 187324917 /nfs/dbraw/zinc/32/49/17/187324917.db2.gz GOFKEMQWABIOEA-ZDUSSCGKSA-N 0 0 273.361 3.335 10 30 CGEERN N#C[C@H](c1cc(Br)cs1)N1CCCC1 ZINC000041678563 344972308 /nfs/dbraw/zinc/97/23/08/344972308.db2.gz MEMUZGKCSWTXKI-SECBINFHSA-N 0 0 271.183 3.171 10 30 CGEERN C=CCOc1cccc(C(=O)c2ccccc2C(=O)OC)c1 ZINC000034401284 344939328 /nfs/dbraw/zinc/93/93/28/344939328.db2.gz LKQYWMVKOZGXLA-UHFFFAOYSA-N 0 0 296.322 3.269 10 30 CGEERN Cc1noc(C)c1C=NN=c1ccc2ccccc2[nH]1 ZINC000005637062 282378556 /nfs/dbraw/zinc/37/85/56/282378556.db2.gz PDZNEDAWBRMLDI-CXUHLZMHSA-N 0 0 266.304 3.286 10 30 CGEERN C[C@H](C#N)CC(=O)c1cc(Br)ccc1F ZINC000043368293 344997526 /nfs/dbraw/zinc/99/75/26/344997526.db2.gz SRPYGRNLRRQJJU-ZETCQYMHSA-N 0 0 270.101 3.321 10 30 CGEERN CC[C@@H](C#N)C(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000044825621 345017139 /nfs/dbraw/zinc/01/71/39/345017139.db2.gz ZNQCSSKCICSLGK-UWVGGRQHSA-N 0 0 250.729 3.067 10 30 CGEERN N#C[C@H]1CCC[C@H]1NCc1ccc(Br)s1 ZINC000054825855 345139080 /nfs/dbraw/zinc/13/90/80/345139080.db2.gz FDSNRSXJNRTDIB-PSASIEDQSA-N 0 0 285.210 3.292 10 30 CGEERN C[C@]1(c2cccc(Br)c2)CC(=O)C=CO1 ZINC000069852302 345386241 /nfs/dbraw/zinc/38/62/41/345386241.db2.gz IUSKKRJFZMYZGZ-GFCCVEGCSA-N 0 0 267.122 3.167 10 30 CGEERN C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](C)C(C)C ZINC000079569873 345646772 /nfs/dbraw/zinc/64/67/72/345646772.db2.gz AQGCVPGHCMNAAW-AWEZNQCLSA-N 0 0 290.407 3.437 10 30 CGEERN C[C@H](C#N)NC(=O)c1cc2ccccc2cc1OC(F)F ZINC000090444245 345787431 /nfs/dbraw/zinc/78/74/31/345787431.db2.gz AHKOMKSNURPKMC-SECBINFHSA-N 0 0 290.269 3.083 10 30 CGEERN N#Cc1ccc(C(=O)/C=C/c2ccc3c(c2)OCO3)cc1 ZINC000090567074 345790810 /nfs/dbraw/zinc/79/08/10/345790810.db2.gz WGNRJVQUFKICMC-XVNBXDOJSA-N 0 0 277.279 3.183 10 30 CGEERN Cc1ccc(C(=O)[C@H](C)C#N)c(Br)c1 ZINC000129537692 346050396 /nfs/dbraw/zinc/05/03/96/346050396.db2.gz BJCWLMHRGHNEGE-MRVPVSSYSA-N 0 0 252.111 3.100 10 30 CGEERN COc1ccc(/C=C2\Oc3ccc(OC)cc3C2=O)cc1 ZINC000126573628 346025426 /nfs/dbraw/zinc/02/54/26/346025426.db2.gz PNZRGYJVKVQOLI-SXGWCWSVSA-N 0 0 282.295 3.320 10 30 CGEERN C[C@H](NCc1ccc(C#N)o1)c1cc(F)ccc1F ZINC000135141101 346086415 /nfs/dbraw/zinc/08/64/15/346086415.db2.gz BSHAIOKIBBMYTC-VIFPVBQESA-N 0 0 262.259 3.280 10 30 CGEERN CCOC(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cc1F ZINC000143763408 346115264 /nfs/dbraw/zinc/11/52/64/346115264.db2.gz BIOXSNLXVJOPJX-VIFPVBQESA-N 0 0 275.201 3.015 10 30 CGEERN CC(C)(C)NC(=O)c1c(CCC=O)ccc2ccccc21 ZINC000144247451 346117852 /nfs/dbraw/zinc/11/78/52/346117852.db2.gz WEBHQEIMADBFMF-UHFFFAOYSA-N 0 0 283.371 3.500 10 30 CGEERN C=C(C)[C@@H](NN)c1cccc(Br)c1Cl ZINC000158844566 346165792 /nfs/dbraw/zinc/16/57/92/346165792.db2.gz GDKZUHPZIRXQAE-SNVBAGLBSA-N 0 0 275.577 3.183 10 30 CGEERN O=C(c1ccc(Br)cc1)C1=COCCC1 ZINC000160003240 346169532 /nfs/dbraw/zinc/16/95/32/346169532.db2.gz HGUDYNBOVDNHCT-UHFFFAOYSA-N 0 0 267.122 3.326 10 30 CGEERN C[C@@H](C#N)CC(=O)c1ccc(Br)c(F)c1 ZINC000161538531 346175834 /nfs/dbraw/zinc/17/58/34/346175834.db2.gz YNSRHHWSKLIBBO-SSDOTTSWSA-N 0 0 270.101 3.321 10 30 CGEERN CCOP(=O)(OCC)C(F)(F)C#CBr ZINC000205213493 346282467 /nfs/dbraw/zinc/28/24/67/346282467.db2.gz ATQPSBSLZNVASC-UHFFFAOYSA-N 0 0 291.028 3.201 10 30 CGEERN COc1cc(CC#N)c(Br)cc1Cl ZINC000218073883 346292797 /nfs/dbraw/zinc/29/27/97/346292797.db2.gz ZEELOHISNNAJHK-UHFFFAOYSA-N 0 0 260.518 3.177 10 30 CGEERN C#CCNc1c(Cl)cc(F)cc1Br ZINC000225290096 346303452 /nfs/dbraw/zinc/30/34/52/346303452.db2.gz WPAKQIPNWJNYLF-UHFFFAOYSA-N 0 0 262.509 3.287 10 30 CGEERN O=[N+]([O-])c1cccc(/C=[N+](\[O-])c2ccc(Cl)cc2)c1 ZINC000225421617 346304018 /nfs/dbraw/zinc/30/40/18/346304018.db2.gz BGPJEHRPYBXCPI-DHDCSXOGSA-N 0 0 277.687 3.401 10 30 CGEERN CC(C)(C)Oc1cc(Br)cc(C#N)c1 ZINC000227634584 346309763 /nfs/dbraw/zinc/30/97/63/346309763.db2.gz JSPCWQNGQTZRMD-UHFFFAOYSA-N 0 0 254.127 3.498 10 30 CGEERN C=C[C@@H](C)Nc1cccc(I)c1 ZINC000235218491 346334547 /nfs/dbraw/zinc/33/45/47/346334547.db2.gz LYBZPHIGZKDYTR-MRVPVSSYSA-N 0 0 273.117 3.278 10 30 CGEERN C=C(Cl)CNc1ccc(C#N)c(Br)c1 ZINC000228195203 346314059 /nfs/dbraw/zinc/31/40/59/346314059.db2.gz KXYCUVLOBCSGOV-UHFFFAOYSA-N 0 0 271.545 3.485 10 30 CGEERN C#C[C@H](C)Nc1cc(F)c(Br)cc1F ZINC000232165339 346324818 /nfs/dbraw/zinc/32/48/18/346324818.db2.gz FYUXTMNIPFSYDF-LURJTMIESA-N 0 0 260.081 3.161 10 30 CGEERN CC[C@H](C#N)Nc1cc(C)cc(Br)c1 ZINC000231977634 346324868 /nfs/dbraw/zinc/32/48/68/346324868.db2.gz PPKAXVTYFXUZCZ-SNVBAGLBSA-N 0 0 253.143 3.472 10 30 CGEERN C[C@H](S)C(=O)Nc1ccc(Cl)cc1Br ZINC000235564145 346335795 /nfs/dbraw/zinc/33/57/95/346335795.db2.gz URVJTNSATXCPED-YFKPBYRVSA-N 0 0 294.601 3.359 10 30 CGEERN CC(=O)N(C)c1ccc(N=Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000257352039 346399389 /nfs/dbraw/zinc/39/93/89/346399389.db2.gz IQCQTSBMYITXGZ-UHFFFAOYSA-N 0 0 297.314 3.328 10 30 CGEERN NC(=S)NN=Cc1c2ccccc2cc2ccccc21 ZINC000254766765 346395725 /nfs/dbraw/zinc/39/57/25/346395725.db2.gz WYLUUWBULMMVJF-UHFFFAOYSA-N 0 0 279.368 3.160 10 30 CGEERN C[C@@H](CC#N)C(=O)c1cccc(I)c1 ZINC000306818378 346458255 /nfs/dbraw/zinc/45/82/55/346458255.db2.gz FJNNEYIDOWTURT-QMMMGPOBSA-N 0 0 299.111 3.024 10 30 CGEERN C[C@]1(c2cccc(Br)c2)CC[C@@H](C=O)O1 ZINC000307257954 346460976 /nfs/dbraw/zinc/46/09/76/346460976.db2.gz BSCKITMQDIZGJV-NWDGAFQWSA-N 0 0 269.138 3.042 10 30 CGEERN CCCCCCC[C@H](C)c1[nH]nc2ncnc(N)c21 ZINC000100361019 185713500 /nfs/dbraw/zinc/71/35/00/185713500.db2.gz SPDHBNMXAMKOQH-JTQLQIEISA-N 0 0 261.373 3.399 10 30 CGEERN N#Cc1cc(F)c(N2CCC3(CC3)C2)cc1Br ZINC000400371071 346589277 /nfs/dbraw/zinc/58/92/77/346589277.db2.gz GHFCLILQBOKJQS-UHFFFAOYSA-N 0 0 295.155 3.450 10 30 CGEERN N#Cc1cc(-c2ccc(Br)o2)nc(C2CC2)n1 ZINC000409436936 346606227 /nfs/dbraw/zinc/60/62/27/346606227.db2.gz AKEQRWGGBKKZHG-UHFFFAOYSA-N 0 0 290.120 3.248 10 30 CGEERN N#CCc1ccc(C(F)(F)F)c(C(F)(F)F)c1N ZINC000514263133 346636346 /nfs/dbraw/zinc/63/63/46/346636346.db2.gz FNMDIDYNMRQLPQ-UHFFFAOYSA-N 0 0 268.160 3.372 10 30 CGEERN N#C[C@H](c1cncs1)[C@@H](CCO)c1c(F)cccc1F ZINC000584639373 346702144 /nfs/dbraw/zinc/70/21/44/346702144.db2.gz WNOVWMLFSCYNGP-ZJUUUORDSA-N 0 0 294.326 3.195 10 30 CGEERN Cc1ccc([C@H](O)c2c(F)cc(C#N)cc2F)c(F)c1 ZINC000584659941 346705953 /nfs/dbraw/zinc/70/59/53/346705953.db2.gz CLMZYKCVNWDENZ-HNNXBMFYSA-N 0 0 277.245 3.366 10 30 CGEERN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C#N)[C@@H]1CC[C@@H]2O ZINC000584591583 346685482 /nfs/dbraw/zinc/68/54/82/346685482.db2.gz FJAWAYIXEGEIAQ-KOUJMVCDSA-N 0 0 299.414 3.383 10 30 CGEERN CC(C)CN1CCS/C1=N/c1ccc([N+](=O)[O-])cc1 ZINC000584593216 346686604 /nfs/dbraw/zinc/68/66/04/346686604.db2.gz DOIFXHNLEMBVIE-BUHFOSPRSA-N 0 0 279.365 3.287 10 30 CGEERN COc1cccc([C@@]23CCC(=O)C(C)=C2CCCC3=O)c1 ZINC000584615947 346693972 /nfs/dbraw/zinc/69/39/72/346693972.db2.gz YROKLMIZGCUFHO-SFHVURJKSA-N 0 0 284.355 3.365 10 30 CGEERN O/N=C1/C[C@@H]2CCCC[C@H]2C[C@@]1(O)c1ccccc1 ZINC000584621692 346695606 /nfs/dbraw/zinc/69/56/06/346695606.db2.gz KMELCHREZIDTNB-RHUZXKKJSA-N 0 0 259.349 3.305 10 30 CGEERN N#C[C@H](c1ccc[nH]1)c1ccc(Br)cc1 ZINC000584622826 346696756 /nfs/dbraw/zinc/69/67/56/346696756.db2.gz MXUYPCKCFBJNBC-NSHDSACASA-N 0 0 261.122 3.433 10 30 CGEERN C=CC[C@@H]1OC(=O)c2ccc(Br)cc21 ZINC000584630930 346698234 /nfs/dbraw/zinc/69/82/34/346698234.db2.gz OFVFAOGJDNGJAN-JTQLQIEISA-N 0 0 253.095 3.237 10 30 CGEERN CCCCC#CC1(O)CC[NH+](CCc2ccccc2)CC1 ZINC000584636972 346700920 /nfs/dbraw/zinc/70/09/20/346700920.db2.gz OZEOHFXDZZLWPI-UHFFFAOYSA-N 0 0 285.431 3.250 10 30 CGEERN CCCCCCCCC(=O)N(CC)CCC(=O)OC ZINC000103089594 185806932 /nfs/dbraw/zinc/80/69/32/185806932.db2.gz BACYSZXXYGRXFG-UHFFFAOYSA-N 0 0 271.401 3.149 10 30 CGEERN CCCCCCCCC(=O)N(CCC)CC(=O)OC ZINC000103430384 185839166 /nfs/dbraw/zinc/83/91/66/185839166.db2.gz GJBSFKXWOXRJBB-UHFFFAOYSA-N 0 0 271.401 3.149 10 30 CGEERN N#CCc1cccc(OC(F)F)c1OC(F)(F)F ZINC000616576272 348834370 /nfs/dbraw/zinc/83/43/70/348834370.db2.gz QEEBCFBWXWRQRD-UHFFFAOYSA-N 0 0 267.153 3.253 10 30 CGEERN N#Cc1ccc([C@@H]2COCCN2Cc2ccccc2)cc1 ZINC000616639060 348853190 /nfs/dbraw/zinc/85/31/90/348853190.db2.gz MLNIYQFBKRWJJK-SFHVURJKSA-N 0 0 278.355 3.132 10 30 CGEERN N#Cc1ccc([C@H]2CCc3ccccc3N2C(N)=O)cc1 ZINC000616668077 348860622 /nfs/dbraw/zinc/86/06/22/348860622.db2.gz GEHXQPVOVJEBQD-MRXNPFEDSA-N 0 0 277.327 3.131 10 30 CGEERN CCCC[C@@H](C)Nc1cnn(-c2ncccc2C#N)c1 ZINC000186010775 138439001 /nfs/dbraw/zinc/43/90/01/138439001.db2.gz MFAIJIJXKCRWTK-GFCCVEGCSA-N 0 0 269.352 3.130 10 30 CGEERN N#Cc1ccc(N[C@@H]2CCc3c2cccc3F)cn1 ZINC000426475927 236297884 /nfs/dbraw/zinc/29/78/84/236297884.db2.gz NQVZPCJXODVWLI-OAHLLOKOSA-N 0 0 253.280 3.192 10 30 CGEERN C=CCCCC(=O)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000177939243 189080439 /nfs/dbraw/zinc/08/04/39/189080439.db2.gz DROUDBHTPBYALP-UHFFFAOYSA-N 0 0 289.379 3.189 10 30 CGEERN N#Cc1cccnc1NCc1ccnc2ccccc12 ZINC000301549989 201062563 /nfs/dbraw/zinc/06/25/63/201062563.db2.gz QNKBFPNNWLHNKV-UHFFFAOYSA-N 0 0 260.300 3.114 10 30 CGEERN N#CCCCn1nnc(-c2ccc(-c3ccccc3)cc2)n1 ZINC000013744420 368665937 /nfs/dbraw/zinc/66/59/37/368665937.db2.gz YPVWYSAPKXCQGD-UHFFFAOYSA-N 0 0 289.342 3.311 10 30 CGEERN CC1=NN(c2ccccc2)C(=O)/C1=N\c1ccccc1 ZINC000016161031 368708495 /nfs/dbraw/zinc/70/84/95/368708495.db2.gz UCPXEXHZKICDCS-ICFOKQHNSA-N 0 0 263.300 3.182 10 30 CGEERN O=C(/C=C\N(O)Cc1ccccc1)c1ccc(F)cc1 ZINC000026020412 368854068 /nfs/dbraw/zinc/85/40/68/368854068.db2.gz ZUJYYCSNLSCOIM-KHPPLWFESA-N 0 0 271.291 3.414 10 30 CGEERN C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)cc1 ZINC000026002555 368854772 /nfs/dbraw/zinc/85/47/72/368854772.db2.gz RYWGNBFHIFRNEP-UHFFFAOYSA-N 0 0 266.296 3.399 10 30 CGEERN c1cn2c(nc(-c3ccccc3)c2N/N=C2/N=CN=N2)s1 ZINC000033921667 368971046 /nfs/dbraw/zinc/97/10/46/368971046.db2.gz LYHKZHMQTLPAOR-UNOMPAQXSA-N 0 0 295.331 3.240 10 30 CGEERN CCC1CCC(NC(=O)c2ccc(C#N)cc2)CC1 ZINC000042354105 369216302 /nfs/dbraw/zinc/21/63/02/369216302.db2.gz LWNIXIHJELPTSR-UHFFFAOYSA-N 0 0 256.349 3.257 10 30 CGEERN COc1ccc2c(c1)[C@@H](S)C[C@H](C(F)(F)F)O2 ZINC000043464976 369253325 /nfs/dbraw/zinc/25/33/25/369253325.db2.gz NFGXMCIWTUDCLO-VHSXEESVSA-N 0 0 264.268 3.380 10 30 CGEERN Cc1ccccc1[C@@H](C)Nc1ncc([N+](=O)[O-])cc1C#N ZINC000049943006 369424006 /nfs/dbraw/zinc/42/40/06/369424006.db2.gz WYVBGZLAVFQRCP-LLVKDONJSA-N 0 0 282.303 3.343 10 30 CGEERN N#C[C@H]1CCC[C@H]1NCc1ccc(Br)cc1 ZINC000054824365 369507086 /nfs/dbraw/zinc/50/70/86/369507086.db2.gz HYQYUKNMTHXDIK-DGCLKSJQSA-N 0 0 279.181 3.231 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)c1ccccc1C(F)(F)F ZINC000061889251 369609890 /nfs/dbraw/zinc/60/98/90/369609890.db2.gz SYIBCGCRSFBTJA-BXKDBHETSA-N 0 0 282.265 3.127 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1cc2ccccc2s1 ZINC000061888269 369609958 /nfs/dbraw/zinc/60/99/58/369609958.db2.gz ZCISNDYIYGINCY-NWDGAFQWSA-N 0 0 270.357 3.323 10 30 CGEERN C=CCn1c(COc2ccc(OCC)cc2)n[nH]c1=S ZINC000064872095 369661019 /nfs/dbraw/zinc/66/10/19/369661019.db2.gz FFUZJVDUVCYLPD-UHFFFAOYSA-N 0 0 291.376 3.104 10 30 CGEERN C[C@@H](Nc1ccc([N+](=O)[O-])c(C#N)n1)C1CCCCC1 ZINC000235259097 189826298 /nfs/dbraw/zinc/82/62/98/189826298.db2.gz UYWPNOWOERPTRW-SNVBAGLBSA-N 0 0 274.324 3.242 10 30 CGEERN Cc1cc(NCCc2ccc(F)cc2)c(C#N)c(C)n1 ZINC000133748842 371277002 /nfs/dbraw/zinc/27/70/02/371277002.db2.gz ANIOYWKUDZHNMF-UHFFFAOYSA-N 0 0 269.323 3.364 10 30 CGEERN CCc1cnc([C@H](C)Nc2ccc(C#N)nc2)s1 ZINC000135819070 371449820 /nfs/dbraw/zinc/44/98/20/371449820.db2.gz YSXGJFVTFVOECO-VIFPVBQESA-N 0 0 258.350 3.145 10 30 CGEERN N#Cc1cc(Cl)ccc1N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160666447 372266358 /nfs/dbraw/zinc/26/63/58/372266358.db2.gz ZZHUZOURHNYMGG-CZUORRHYSA-N 0 0 290.794 3.343 10 30 CGEERN C=CCCCC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000176074049 373553731 /nfs/dbraw/zinc/55/37/31/373553731.db2.gz IILJRECCBABEAT-AWEZNQCLSA-N 0 0 283.375 3.406 10 30 CGEERN CCn1c(C)nnc1CS[C@H](C)c1ccc(C#N)cc1 ZINC000179834340 373924458 /nfs/dbraw/zinc/92/44/58/373924458.db2.gz PORPEFCOOOXJIJ-LLVKDONJSA-N 0 0 286.404 3.473 10 30 CGEERN CCc1cccc(Oc2ccc([N+](=O)[O-])c(C#N)n2)c1 ZINC000302723819 373940562 /nfs/dbraw/zinc/94/05/62/373940562.db2.gz MOAJMENPALAFBO-UHFFFAOYSA-N 0 0 269.260 3.216 10 30 CGEERN CC[C@@H]1CCCCN1C(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328705355 374377023 /nfs/dbraw/zinc/37/70/23/374377023.db2.gz PFEGUGOAOVHMJT-CHWSQXEVSA-N 0 0 293.411 3.207 10 30 CGEERN CCN(CCC1CC1)C(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328697768 374377594 /nfs/dbraw/zinc/37/75/94/374377594.db2.gz LLBIBFYYNJSMAO-CYBMUJFWSA-N 0 0 293.411 3.064 10 30 CGEERN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC000329886761 374438062 /nfs/dbraw/zinc/43/80/62/374438062.db2.gz WOLICOBKDYZMPX-BPUTZDHNSA-N 0 0 295.386 3.336 10 30 CGEERN Cn1ccnc1-c1cccc(NC(=O)N2C[C@@H]3CCC[C@H]32)c1 ZINC000329913729 374440100 /nfs/dbraw/zinc/44/01/00/374440100.db2.gz CASPNJGUZUSLHR-DZGCQCFKSA-N 0 0 296.374 3.117 10 30 CGEERN CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)[C@]1(C)CCCNC1=O ZINC000330246392 374451965 /nfs/dbraw/zinc/45/19/65/374451965.db2.gz LFLFSGNCZWPHLN-DVOMOZLQSA-N 0 0 296.411 3.151 10 30 CGEERN C=C(C)C[C@H](C)C(=O)N[C@H](CC(=O)OC)c1ccccc1 ZINC000185108226 374589807 /nfs/dbraw/zinc/58/98/07/374589807.db2.gz KIPCDSXDEJCBLY-DZGCQCFKSA-N 0 0 289.375 3.009 10 30 CGEERN C#CCCCC(=O)N1CCCC[C@H]1c1nccs1 ZINC000192359375 375737679 /nfs/dbraw/zinc/73/76/79/375737679.db2.gz PUTKKVRKJXCWGG-LBPRGKRZSA-N 0 0 262.378 3.000 10 30 CGEERN CN1Cc2cc(N[C@H]3CCC[C@@H](C#N)C3)ccc2NC1=O ZINC000193304242 375856657 /nfs/dbraw/zinc/85/66/57/375856657.db2.gz UCMVYKDREFOWQA-YPMHNXCESA-N 0 0 284.363 3.158 10 30 CGEERN CCCc1c(C#N)cc2ccccc2c1C(=O)OC ZINC000225776926 376324578 /nfs/dbraw/zinc/32/45/78/376324578.db2.gz IBPFLIJBSWXLJZ-UHFFFAOYSA-N 0 0 253.301 3.451 10 30 CGEERN Cc1cc(NC[C@H](C)c2nccs2)c(C#N)c(C)n1 ZINC000230607551 376521920 /nfs/dbraw/zinc/52/19/20/376521920.db2.gz VCWSHJGYIPNYFK-VIFPVBQESA-N 0 0 272.377 3.242 10 30 CGEERN CC1(C)CCC(Nc2ccc([N+](=O)[O-])c(C#N)n2)CC1 ZINC000232802203 376590490 /nfs/dbraw/zinc/59/04/90/376590490.db2.gz OBQHZZGLQUFDQU-UHFFFAOYSA-N 0 0 274.324 3.242 10 30 CGEERN N#Cc1cc(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)ccc1F ZINC000245453948 376821386 /nfs/dbraw/zinc/82/13/86/376821386.db2.gz GKSYDJXGPTWRHM-IMRBUKKESA-N 0 0 258.296 3.072 10 30 CGEERN N#Cc1cc(F)ccc1N[C@@H]1COc2ccccc21 ZINC000070536338 249005009 /nfs/dbraw/zinc/00/50/09/249005009.db2.gz PPFPLUYNKZOARX-CQSZACIVSA-N 0 0 254.264 3.243 10 30 CGEERN CCCOc1cc(Br)c(C=NO)cc1OC ZINC000254860755 377714884 /nfs/dbraw/zinc/71/48/84/377714884.db2.gz ULFKESQEBHYWKI-UHFFFAOYSA-N 0 0 288.141 3.055 10 30 CGEERN C=CCOc1c(Cl)cc(C=NO)cc1OCC ZINC000254481962 377707405 /nfs/dbraw/zinc/70/74/05/377707405.db2.gz WJGAMUHMBYXZGH-UHFFFAOYSA-N 0 0 255.701 3.112 10 30 CGEERN N=C(NN=Cc1ccccc1)OC/C=C\c1ccccc1 ZINC000575150575 377756009 /nfs/dbraw/zinc/75/60/09/377756009.db2.gz PMNLGKLHMQHPAB-NDDKWHODSA-N 0 0 279.343 3.275 10 30 CGEERN CCOC(=O)Cc1c(C#N)ccc(CC)c1C(F)(F)F ZINC000575389330 377897773 /nfs/dbraw/zinc/89/77/73/377897773.db2.gz GWMVZFJWLGCILA-UHFFFAOYSA-N 0 0 285.265 3.245 10 30 CGEERN CCOC(=O)c1cc(C#N)c(SC(F)(F)F)cc1O ZINC000575392052 377899456 /nfs/dbraw/zinc/89/94/56/377899456.db2.gz NHURRWJUVOWORP-UHFFFAOYSA-N 0 0 291.250 3.052 10 30 CGEERN COC(=O)Cc1ccc(F)c(SC(F)(F)F)c1C#N ZINC000575390624 377898384 /nfs/dbraw/zinc/89/83/84/377898384.db2.gz HEQFZHTZVDDINN-UHFFFAOYSA-N 0 0 293.241 3.025 10 30 CGEERN COC(=O)c1c(C#N)cc(C(F)(F)F)cc1C(F)(F)F ZINC000575341510 377882817 /nfs/dbraw/zinc/88/28/17/377882817.db2.gz ZUAWAPKSIOJLPW-UHFFFAOYSA-N 0 0 297.154 3.382 10 30 CGEERN N#CCc1ccc(C(F)(F)F)c(N)c1C(F)(F)F ZINC000575381408 377892706 /nfs/dbraw/zinc/89/27/06/377892706.db2.gz UFUUDHMALDJWGT-UHFFFAOYSA-N 0 0 268.160 3.372 10 30 CGEERN CCOC(=O)c1cc(C(F)(F)F)c(C#N)cc1Cl ZINC000575383041 377893661 /nfs/dbraw/zinc/89/36/61/377893661.db2.gz BQUZPGFZRWBTMO-UHFFFAOYSA-N 0 0 277.629 3.407 10 30 CGEERN CCOC(=O)c1c(Cl)ccc(C#N)c1C(F)(F)F ZINC000575383282 377893929 /nfs/dbraw/zinc/89/39/29/377893929.db2.gz NENJBRQDZAEFGQ-UHFFFAOYSA-N 0 0 277.629 3.407 10 30 CGEERN CCOC(=O)Cc1cc(C(F)(F)F)cc(C#N)c1Cl ZINC000575383413 377894086 /nfs/dbraw/zinc/89/40/86/377894086.db2.gz UDUPSDBRCRUDDP-UHFFFAOYSA-N 0 0 291.656 3.336 10 30 CGEERN COC(=O)c1cc(C#N)c(Cl)cc1C(F)(F)F ZINC000575383277 377894136 /nfs/dbraw/zinc/89/41/36/377894136.db2.gz MXMQGKZZEZFERL-UHFFFAOYSA-N 0 0 263.602 3.017 10 30 CGEERN COC(=O)c1c(C#N)ccc(OC(F)(F)F)c1C(F)F ZINC000575387005 377894775 /nfs/dbraw/zinc/89/47/75/377894775.db2.gz BTMVJYFLECZYQP-UHFFFAOYSA-N 0 0 295.163 3.181 10 30 CGEERN CCOC(=O)c1cc(Cl)cc(C(F)(F)F)c1C#N ZINC000575383543 377894846 /nfs/dbraw/zinc/89/48/46/377894846.db2.gz ZLZRSGGYAWUABT-UHFFFAOYSA-N 0 0 277.629 3.407 10 30 CGEERN CCOC(=O)c1cc(C(F)F)cc(OC(F)F)c1C#N ZINC000575385335 377894906 /nfs/dbraw/zinc/89/49/06/377894906.db2.gz LRYJWSDRIAPHHL-UHFFFAOYSA-N 0 0 291.200 3.274 10 30 CGEERN CCOC(=O)c1ccc(C(F)(F)F)c(C#N)c1CC ZINC000575389200 377896017 /nfs/dbraw/zinc/89/60/17/377896017.db2.gz BZFPDZXCEPDVSW-UHFFFAOYSA-N 0 0 271.238 3.316 10 30 CGEERN COC(=O)Cc1cc(C(F)F)c(C#N)c(C(F)(F)F)c1 ZINC000575387898 377896495 /nfs/dbraw/zinc/89/64/95/377896495.db2.gz WSFPGLOZOXXGOR-UHFFFAOYSA-N 0 0 293.191 3.230 10 30 CGEERN CCOC(=O)Cc1cc(C(F)(F)F)c(C#N)cc1CC ZINC000575389318 377897216 /nfs/dbraw/zinc/89/72/16/377897216.db2.gz GJVUTEHHAHYWHX-UHFFFAOYSA-N 0 0 285.265 3.245 10 30 CGEERN CCOC(=O)Cc1cc(C#N)c(C(F)(F)F)c(CC)c1 ZINC000575389604 377897507 /nfs/dbraw/zinc/89/75/07/377897507.db2.gz MDBCAQCRLFXFPI-UHFFFAOYSA-N 0 0 285.265 3.245 10 30 CGEERN N#CCc1cc(OC(F)F)cc(C(F)(F)F)c1C#N ZINC000575638189 377924420 /nfs/dbraw/zinc/92/44/20/377924420.db2.gz FIWUNNFKFPZJBU-UHFFFAOYSA-N 0 0 276.164 3.245 10 30 CGEERN N#CCc1cc(Br)c(F)cc1OC(F)F ZINC000575681213 377955626 /nfs/dbraw/zinc/95/56/26/377955626.db2.gz ZWFOFEDQYUDCQO-UHFFFAOYSA-N 0 0 280.043 3.256 10 30 CGEERN COc1cc(C(F)F)cc(OC(F)F)c1CC#N ZINC000575652979 377930366 /nfs/dbraw/zinc/93/03/66/377930366.db2.gz ZRFBDVURBPOJPF-UHFFFAOYSA-N 0 0 263.190 3.300 10 30 CGEERN N#Cc1cc(OC(F)F)c(F)c(C(F)(F)F)c1 ZINC000575658735 377934603 /nfs/dbraw/zinc/93/46/03/377934603.db2.gz DKUYHSZEWSVPGS-UHFFFAOYSA-N 0 0 255.117 3.318 10 30 CGEERN N#Cc1ccc(OC(F)F)c(F)c1OC(F)(F)F ZINC000575660172 377935642 /nfs/dbraw/zinc/93/56/42/377935642.db2.gz OFADDBYBZFFXHR-UHFFFAOYSA-N 0 0 271.116 3.197 10 30 CGEERN N#CCc1c(O)cc(OC(F)F)cc1C(F)(F)F ZINC000575661568 377938832 /nfs/dbraw/zinc/93/88/32/377938832.db2.gz JMQQEBOYJUTUNL-UHFFFAOYSA-N 0 0 267.153 3.078 10 30 CGEERN Cc1cc(C#N)cc(OC(F)F)c1OC(F)(F)F ZINC000575664853 377940593 /nfs/dbraw/zinc/94/05/93/377940593.db2.gz NLQICMLKTVJWFL-UHFFFAOYSA-N 0 0 267.153 3.367 10 30 CGEERN Cc1cc(C(F)(F)F)cc(C#N)c1OC(F)F ZINC000575666817 377944066 /nfs/dbraw/zinc/94/40/66/377944066.db2.gz ZNQHMRNRIZYXFR-UHFFFAOYSA-N 0 0 251.154 3.487 10 30 CGEERN Cc1c(Br)cc(C#N)cc1OC(F)F ZINC000575682990 377956756 /nfs/dbraw/zinc/95/67/56/377956756.db2.gz JHIHWKJQPXGMLG-UHFFFAOYSA-N 0 0 262.053 3.231 10 30 CGEERN N#CCc1c(OC(F)F)cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575667457 377945205 /nfs/dbraw/zinc/94/52/05/377945205.db2.gz QCVKZXPDTKBEJW-UHFFFAOYSA-N 0 0 296.151 3.281 10 30 CGEERN COc1ccc(Br)c(Cl)c1CC#N ZINC000575674329 377949377 /nfs/dbraw/zinc/94/93/77/377949377.db2.gz RWBUYNUBALGLIR-UHFFFAOYSA-N 0 0 260.518 3.177 10 30 CGEERN CCOC(=O)c1ccc(C#N)c(C)c1C(F)(F)F ZINC000575394687 377902405 /nfs/dbraw/zinc/90/24/05/377902405.db2.gz LDPLCAHVJJMZBS-UHFFFAOYSA-N 0 0 257.211 3.062 10 30 CGEERN COC(=O)Cc1cc(C)c(SC(F)(F)F)c(C#N)c1 ZINC000575395986 377903575 /nfs/dbraw/zinc/90/35/75/377903575.db2.gz ZUEYAMGFWIUOQF-UHFFFAOYSA-N 0 0 289.278 3.194 10 30 CGEERN COC(=O)Cc1c(C#N)cc(C)cc1SC(F)(F)F ZINC000575395984 377903704 /nfs/dbraw/zinc/90/37/04/377903704.db2.gz ZOEHOTXLUGKCFF-UHFFFAOYSA-N 0 0 289.278 3.194 10 30 CGEERN Nc1c(C(F)(F)F)ccc(F)c1OC(F)(F)F ZINC000575397361 377905017 /nfs/dbraw/zinc/90/50/17/377905017.db2.gz ORGAVKLCOUHTMT-UHFFFAOYSA-N 0 0 263.112 3.325 10 30 CGEERN COc1cc(Br)cc(CC#N)c1C(F)F ZINC000575684551 377959187 /nfs/dbraw/zinc/95/91/87/377959187.db2.gz HHGCEILWIBAVEL-UHFFFAOYSA-N 0 0 276.080 3.461 10 30 CGEERN N#CCc1c(Br)ccc(O)c1C(F)F ZINC000575685966 377961247 /nfs/dbraw/zinc/96/12/47/377961247.db2.gz NVAINTRHVFTRNQ-UHFFFAOYSA-N 0 0 262.053 3.158 10 30 CGEERN C[C@@H]1OCC[C@@H]1NC(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000328930270 542445248 /nfs/dbraw/zinc/44/52/48/542445248.db2.gz HKGNHMCHOYKKOB-AHDPXTMNSA-N 0 0 280.412 3.026 10 30 CGEERN O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)N[C@H]1CCCC[C@H]1CO ZINC000330105243 542450161 /nfs/dbraw/zinc/45/01/61/542450161.db2.gz JKPIZKWUNOSGKG-NPJQDHAYSA-N 0 0 294.439 3.010 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000332885664 542450966 /nfs/dbraw/zinc/45/09/66/542450966.db2.gz GFWLCWBQJVSOTP-LJIZCISZSA-N 0 0 289.423 3.337 10 30 CGEERN C=CCN(Cc1ccccc1F)C(=O)[C@H]1CCCO[C@@H]1C ZINC000189863567 130032075 /nfs/dbraw/zinc/03/20/75/130032075.db2.gz AOKSDNQPCQTVIA-HIFRSBDPSA-N 0 0 291.366 3.155 10 30 CGEERN C=CCN(Cc1ccccc1F)C(=O)[C@H]1CCCO[C@H]1C ZINC000189863587 130032533 /nfs/dbraw/zinc/03/25/33/130032533.db2.gz AOKSDNQPCQTVIA-ZFWWWQNUSA-N 0 0 291.366 3.155 10 30 CGEERN CCOc1ccc(C=NN=c2[nH]c3ccccc3o2)cc1O ZINC000005653843 391925343 /nfs/dbraw/zinc/92/53/43/391925343.db2.gz CPEJAIKFGSPRFO-LICLKQGHSA-N 0 0 297.314 3.378 10 30 CGEERN C[C@H]1CC(CNc2cccc(F)c2C#N)C[C@H](C)O1 ZINC000281996518 392269165 /nfs/dbraw/zinc/26/91/65/392269165.db2.gz WVDBABVSMWONSY-QWRGUYRKSA-N 0 0 262.328 3.313 10 30 CGEERN C[C@@H]1C[C@@H](CNc2cccc(F)c2C#N)C[C@H](C)O1 ZINC000281996520 392270485 /nfs/dbraw/zinc/27/04/85/392270485.db2.gz WVDBABVSMWONSY-ZSBIGDGJSA-N 0 0 262.328 3.313 10 30 CGEERN C=C(Br)CN1CCC(c2nccs2)CC1 ZINC000373994220 392667161 /nfs/dbraw/zinc/66/71/61/392667161.db2.gz VMDBIXIOMZPTFF-UHFFFAOYSA-N 0 0 287.226 3.231 10 30 CGEERN C=CCCCCCN(C)C(=O)C1CCC(C(=O)OC)CC1 ZINC000180251601 392707836 /nfs/dbraw/zinc/70/78/36/392707836.db2.gz XFJRDVWTTZLUAF-UHFFFAOYSA-N 0 0 295.423 3.171 10 30 CGEERN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](C)c1ccc(C)o1 ZINC000193285116 392874684 /nfs/dbraw/zinc/87/46/84/392874684.db2.gz FUBOLKJYKFLGOJ-KGLIPLIRSA-N 0 0 278.396 3.052 10 30 CGEERN C=CCOc1cc(Br)ccc1C1(C)OCCO1 ZINC000584615153 393205560 /nfs/dbraw/zinc/20/55/60/393205560.db2.gz RXCYREVLRXYTGR-UHFFFAOYSA-N 0 0 299.164 3.233 10 30 CGEERN CC(=O)c1ccc2c(c1)Cc1cc(N(O)C(C)=O)ccc1-2 ZINC000005167606 170073155 /nfs/dbraw/zinc/07/31/55/170073155.db2.gz LXVZVYKQLBVLPT-UHFFFAOYSA-N 0 0 281.311 3.203 10 30 CGEERN CC(C)CNC(=O)c1ccc(/N=C/c2ccc[nH]2)cc1 ZINC000005843943 170146634 /nfs/dbraw/zinc/14/66/34/170146634.db2.gz HSGWSJGPQZCCNT-WOJGMQOQSA-N 0 0 269.348 3.151 10 30 CGEERN O=C(/C=C/c1ccc(O)c(O)c1)CCc1ccccc1 ZINC000006579265 170215363 /nfs/dbraw/zinc/21/53/63/170215363.db2.gz LOEMUCWNSZVSGY-JXMROGBWSA-N 0 0 268.312 3.313 10 30 CGEERN CC(C)c1nc(C#N)c(N=NCc2ccc(F)cc2)o1 ZINC000006633881 170220402 /nfs/dbraw/zinc/22/04/02/170220402.db2.gz BEZXLWGARBNJAR-CAOOACKPSA-N 0 0 272.283 3.255 10 30 CGEERN CCCCNC(=S)N(C)N=Cc1ccccc1F ZINC000008774649 170355443 /nfs/dbraw/zinc/35/54/43/170355443.db2.gz HCMKVIOGFVMBKT-MHWRWJLKSA-N 0 0 267.373 3.177 10 30 CGEERN C=C(Br)Cn1c2ccccc2nc1C(C)(C)O ZINC000008785910 170355973 /nfs/dbraw/zinc/35/59/73/170355973.db2.gz LQLBYRCZAYNACZ-UHFFFAOYSA-N 0 0 295.180 3.172 10 30 CGEERN C=CCOc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000009814996 170385995 /nfs/dbraw/zinc/38/59/95/170385995.db2.gz REKHILINERZACY-UHFFFAOYSA-N 0 0 298.298 3.412 10 30 CGEERN C=CCNC(=S)Nc1ccccc1OCC(=C)C ZINC000014569228 170638113 /nfs/dbraw/zinc/63/81/13/170638113.db2.gz OHGDGYKCVMLSBQ-UHFFFAOYSA-N 0 0 262.378 3.114 10 30 CGEERN N#Cc1ccc(COCCOc2ccccc2)cc1 ZINC000019433117 170798809 /nfs/dbraw/zinc/79/88/09/170798809.db2.gz ZZDCPFLIXNLNFZ-UHFFFAOYSA-N 0 0 253.301 3.154 10 30 CGEERN N#Cc1ccc(COc2ccc3c(c2)CCC(=O)N3)cc1 ZINC000019470993 170804627 /nfs/dbraw/zinc/80/46/27/170804627.db2.gz INQQPMCIQAMLGA-UHFFFAOYSA-N 0 0 278.311 3.022 10 30 CGEERN Cc1cc(Cl)ccc1OCc1ccccc1/C(N)=N/O ZINC000019808369 170877399 /nfs/dbraw/zinc/87/73/99/170877399.db2.gz SFPXISWAHVOPNQ-UHFFFAOYSA-N 0 0 290.750 3.322 10 30 CGEERN N/C(=N\O)c1ccccc1O[C@H]1CCCc2ccccc21 ZINC000020076639 170984800 /nfs/dbraw/zinc/98/48/00/170984800.db2.gz GPDVFJZPHBDXIC-HNNXBMFYSA-N 0 0 282.343 3.238 10 30 CGEERN N#Cc1ccccc1NC(=O)c1ccc(Cl)c(N)c1 ZINC000020193941 171059470 /nfs/dbraw/zinc/05/94/70/171059470.db2.gz UGDNMRWTQXTVLZ-UHFFFAOYSA-N 0 0 271.707 3.046 10 30 CGEERN N#CCc1ccc(Oc2ccc([N+](=O)[O-])cc2C=O)cc1 ZINC000020368593 171166995 /nfs/dbraw/zinc/16/69/95/171166995.db2.gz NYWKSHTUHVZCSN-UHFFFAOYSA-N 0 0 282.255 3.266 10 30 CGEERN CCN[C@H](C#N)c1ccc(SC(F)(F)F)cc1 ZINC000020379243 171171956 /nfs/dbraw/zinc/17/19/56/171171956.db2.gz MCSAJMGWNYDYEN-SNVBAGLBSA-N 0 0 260.284 3.473 10 30 CGEERN C=CCn1c(SCCOC=C)nnc1C(C)(C)C ZINC000020839304 171275600 /nfs/dbraw/zinc/27/56/00/171275600.db2.gz PSXYZTZCQYLDSB-UHFFFAOYSA-N 0 0 267.398 3.014 10 30 CGEERN Brc1ccc2cc(OC[C@H]3CO3)ccc2c1 ZINC000022161680 171364177 /nfs/dbraw/zinc/36/41/77/171364177.db2.gz DKSTXGJXBCORFI-ZDUSSCGKSA-N 0 0 279.133 3.380 10 30 CGEERN Cc1cc(N)ccc1NC(=O)Nc1ccc(C#N)cc1 ZINC000022168508 171366703 /nfs/dbraw/zinc/36/67/03/171366703.db2.gz BVYRXISPNAOUOK-UHFFFAOYSA-N 0 0 266.304 3.093 10 30 CGEERN Cc1csc(N=NCc2cccc(Br)c2)n1 ZINC000033377200 171787348 /nfs/dbraw/zinc/78/73/48/171787348.db2.gz JNDXPJUBHZOVGF-MLPAPPSSSA-N 0 0 296.193 3.082 10 30 CGEERN CCC1([C@H](C#N)c2ccc(Cl)cc2)OCCO1 ZINC000033986619 171829169 /nfs/dbraw/zinc/82/91/69/171829169.db2.gz YZCAFLAEZJEYSA-GFCCVEGCSA-N 0 0 251.713 3.100 10 30 CGEERN CC[C@@H]1CSC(Nc2cccc3cccnc32)=N1 ZINC000035057227 171960425 /nfs/dbraw/zinc/96/04/25/171960425.db2.gz ICTGECQDOLAPMP-LLVKDONJSA-N 0 0 257.362 3.337 10 30 CGEERN C[C@@H]1CN=C(Nc2ccc(OC(F)F)cc2)S1 ZINC000035082661 171968097 /nfs/dbraw/zinc/96/80/97/171968097.db2.gz VLTJPSWHYFQSPA-SSDOTTSWSA-N 0 0 258.293 3.000 10 30 CGEERN C=C(C)C(=O)NCCc1nc2ccccc2n1CCC(C)C ZINC000035144434 172009742 /nfs/dbraw/zinc/00/97/42/172009742.db2.gz OGDZEIFXPFGBDV-UHFFFAOYSA-N 0 0 299.418 3.317 10 30 CGEERN C[C@@H](O)c1cccc(OCc2cccc(C#N)c2)c1 ZINC000035199456 172044745 /nfs/dbraw/zinc/04/47/45/172044745.db2.gz ZHYWMHHPNOCBSL-GFCCVEGCSA-N 0 0 253.301 3.191 10 30 CGEERN CC(C)c1nn(C)cc1CNc1ccccc1C#N ZINC000037203105 173026168 /nfs/dbraw/zinc/02/61/68/173026168.db2.gz SAWCCZHQZBFKFE-UHFFFAOYSA-N 0 0 254.337 3.027 10 30 CGEERN COc1cccc(N[C@@](C)(C#N)CC(C)(C)OC)c1 ZINC000037937666 173877616 /nfs/dbraw/zinc/87/76/16/173877616.db2.gz DMGVPRKUGAMZGT-OAHLLOKOSA-N 0 0 262.353 3.204 10 30 CGEERN COc1ccc([C@H](C#N)NC2CCCCCC2)cc1O ZINC000037970048 173919383 /nfs/dbraw/zinc/91/93/83/173919383.db2.gz ZGXZVFDUXZNGIY-AWEZNQCLSA-N 0 0 274.364 3.278 10 30 CGEERN Cc1ccc(C)c(NN=C2C(=O)N(C)C(=O)C(C#N)=C2C)c1 ZINC000039871180 174174564 /nfs/dbraw/zinc/17/45/64/174174564.db2.gz FXBZEQZXSFJERZ-VHEBQXMUSA-N 0 0 296.330 3.303 10 30 CGEERN Cc1ncsc1C(=O)NC1(C#N)CCCCCCC1 ZINC000040222163 174207526 /nfs/dbraw/zinc/20/75/26/174207526.db2.gz ZIAKAVFCJXVDRT-UHFFFAOYSA-N 0 0 277.393 3.188 10 30 CGEERN C=C(C)CNc1ccc(I)cc1 ZINC000041571390 174569506 /nfs/dbraw/zinc/56/95/06/174569506.db2.gz NHBNUORQSWZKAK-UHFFFAOYSA-N 0 0 273.117 3.279 10 30 CGEERN Cc1c(C)c(Nc2cccc(C#N)c2)nnc1Cl ZINC000071171066 176051528 /nfs/dbraw/zinc/05/15/28/176051528.db2.gz GAIYWXVFKHGZKF-UHFFFAOYSA-N 0 0 258.712 3.362 10 30 CGEERN Cc1cnc([C@@H](C)NC(=O)c2sc3nccn3c2C)o1 ZINC000329244800 227378031 /nfs/dbraw/zinc/37/80/31/227378031.db2.gz QDMPBWMOXGTXAV-MRVPVSSYSA-N 0 0 290.348 3.066 10 30 CGEERN C=C(Cl)CC(=O)C1(N(C)C(=O)OC(C)(C)C)CC1 ZINC000685962279 544111431 /nfs/dbraw/zinc/11/14/31/544111431.db2.gz BHJNOECLOLEMLC-UHFFFAOYSA-N 0 0 273.760 3.098 10 30 CGEERN N#Cc1cccc(CNC(=O)[C@H]2C[C@H]2C2CCCCC2)c1 ZINC000133983287 287433447 /nfs/dbraw/zinc/43/34/47/287433447.db2.gz SSHLQSXPFDAYNR-IRXDYDNUSA-N 0 0 282.387 3.391 10 30 CGEERN C[C@H]1CCCC[C@@H]1OCC(=O)Nc1nc2cccnc2[nH]1 ZINC000330039265 228024284 /nfs/dbraw/zinc/02/42/84/228024284.db2.gz FGVIXOJCTAKSNY-JQWIXIFHSA-N 0 0 288.351 3.141 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1cncc2ccccc21 ZINC000330057601 228028433 /nfs/dbraw/zinc/02/84/33/228028433.db2.gz XTFJGILXXWSAMU-XHDPSFHLSA-N 0 0 265.316 3.232 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)NC[C@@H]1C[C@H]1C1CCCCC1 ZINC000333659771 228209283 /nfs/dbraw/zinc/20/92/83/228209283.db2.gz WEQVFEDLBHVFJU-VGWMRTNUSA-N 0 0 289.423 3.194 10 30 CGEERN N#C[C@]1(c2nc(CCC3CC3)no2)CC12CCCC2 ZINC000333188754 228192287 /nfs/dbraw/zinc/19/22/87/228192287.db2.gz NNXRMDOCVHCGPG-HNNXBMFYSA-N 0 0 257.337 3.138 10 30 CGEERN Cc1oc(-c2ccsc2)nc1CN[C@@H]1CCC[C@H]1C#N ZINC000333631086 228207388 /nfs/dbraw/zinc/20/73/88/228207388.db2.gz QYMGBXGMJUPGAJ-WCQYABFASA-N 0 0 287.388 3.493 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)Nc1ccc([C@H]2CCOC2)cc1 ZINC000333751923 228212286 /nfs/dbraw/zinc/21/22/86/228212286.db2.gz ZQVHMZIEOFIFIC-OFQRWUPVSA-N 0 0 299.374 3.004 10 30 CGEERN C[C@@H]1CCC[C@](C#N)(NC(=O)[C@H]2CCc3ccccc32)C1 ZINC000408004523 260169644 /nfs/dbraw/zinc/16/96/44/260169644.db2.gz MKWPYRHTLVJLIC-SKDZVZGDSA-N 0 0 282.387 3.305 10 30 CGEERN CO[C@H](C)c1cccc(NC(=O)N2CCC(C#N)CC2)c1 ZINC000105032805 261306467 /nfs/dbraw/zinc/30/64/67/261306467.db2.gz FXSJPMCDTWSWQU-GFCCVEGCSA-N 0 0 287.363 3.161 10 30 CGEERN CC[C@H](CC#N)NC(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000183876519 262050005 /nfs/dbraw/zinc/05/00/05/262050005.db2.gz KKYJITUPWCBQGN-YNEHKIRRSA-N 0 0 250.386 3.257 10 30 CGEERN CN(C(=O)[C@@H]1C[C@@H]1C1CCCCC1)C1(C#N)CCC1 ZINC000161613491 262317728 /nfs/dbraw/zinc/31/77/28/262317728.db2.gz RUGPTSBYVXMGMX-ZIAGYGMSSA-N 0 0 260.381 3.107 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccc2ccccc2c1 ZINC000061889286 262405360 /nfs/dbraw/zinc/40/53/60/262405360.db2.gz VXSXGNSSBXEWSJ-HOTGVXAUSA-N 0 0 264.328 3.262 10 30 CGEERN CC[C@@H]1CCCN(C(=O)N[C@@H]2CCC(=O)NC23CCC3)C1 ZINC000328744245 263852734 /nfs/dbraw/zinc/85/27/34/263852734.db2.gz NUUJHNMGOTVDCK-CHWSQXEVSA-N 0 0 293.411 3.064 10 30 CGEERN C[C@@H]1CC(CNC(=O)[C@@H]2CCC(=O)[C@H](C)C2)C[C@@H](C)O1 ZINC000328906435 263898816 /nfs/dbraw/zinc/89/88/16/263898816.db2.gz BMRZZCHSFACKIE-HKUMRIAESA-N 0 0 281.396 3.152 10 30 CGEERN C=C[C@H](CC(=O)N1CCS[C@@H](C)C1)c1ccccc1 ZINC000129685935 264328031 /nfs/dbraw/zinc/32/80/31/264328031.db2.gz IKBHQIRAWAPAKF-UONOGXRCSA-N 0 0 275.417 3.310 10 30 CGEERN Cc1ccc(C)c(SCC(=O)N[C@@H]2CCC[C@@H]2C#N)c1 ZINC000359681760 266622833 /nfs/dbraw/zinc/62/28/33/266622833.db2.gz UXTLGKGXWGWRCJ-ZIAGYGMSSA-N 0 0 288.416 3.204 10 30 CGEERN C=CC[C@@H](C)NC(=O)N[C@H]1CCCc2ccccc21 ZINC000116972721 267195111 /nfs/dbraw/zinc/19/51/11/267195111.db2.gz LEAOAJMMTKSEIA-DOMZBBRYSA-N 0 0 258.365 3.328 10 30 CGEERN C#CCc1c(C)cc(C)c(I)c1C ZINC000098179157 275385256 /nfs/dbraw/zinc/38/52/56/275385256.db2.gz YBZBWUCAGJOTKD-UHFFFAOYSA-N 0 0 284.140 3.392 10 30 CGEERN CCOC(=O)c1nc(C#Cc2ccccc2)sc1Cl ZINC000039121840 276303673 /nfs/dbraw/zinc/30/36/73/276303673.db2.gz YAGTVZOELAWACJ-UHFFFAOYSA-N 0 0 291.759 3.373 10 30 CGEERN CC(C)(CCNC(=O)[C@@H]1CCCC(=O)N1)C1CC1 ZINC000329261094 278599356 /nfs/dbraw/zinc/59/93/56/278599356.db2.gz BCEFGLMFUZWSMJ-NSHDSACASA-N 0 0 252.358 3.278 10 30 CGEERN CCCCCCCCC(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000177709046 329189672 /nfs/dbraw/zinc/18/96/72/329189672.db2.gz ZBSQXVPNEUULGU-AWEZNQCLSA-N 0 0 292.427 3.288 10 30 CGEERN CCCCCCCC(=O)N1CCC(c2ccnn2C)CC1 ZINC000124425831 329570042 /nfs/dbraw/zinc/57/00/42/329570042.db2.gz UQOAMXLGPSICJS-UHFFFAOYSA-N 0 0 291.439 3.487 10 30 CGEERN CC(C)[C@@H]1[C@H](C=O)[C@@H]1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000536956398 330383238 /nfs/dbraw/zinc/38/32/38/330383238.db2.gz ZDFWEZFWAIVZAW-XQLPTFJDSA-N 0 0 295.423 3.351 10 30 CGEERN CC(=O)c1nnc(-c2ccc(C#N)cc2)cc1C(F)(F)F ZINC000536961386 330384487 /nfs/dbraw/zinc/38/44/87/330384487.db2.gz ZZSPPEDAKRIEGL-UHFFFAOYSA-N 0 0 291.232 3.237 10 30 CGEERN C=CCCS(=O)(=O)N[C@@H]1c2ccccc2CCC1(C)C ZINC000161779398 330536247 /nfs/dbraw/zinc/53/62/47/330536247.db2.gz JMEQKYWIGXPQIQ-OAHLLOKOSA-N 0 0 293.432 3.196 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NCc1cccc(OC(F)(F)F)c1 ZINC000230686389 333320772 /nfs/dbraw/zinc/32/07/72/333320772.db2.gz VMVIHSPUXHLQMO-YPMHNXCESA-N 0 0 284.281 3.367 10 30 CGEERN CCN(C[C@H](C)C#N)C(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000248593496 334307406 /nfs/dbraw/zinc/30/74/06/334307406.db2.gz SGTQHVWWAPOYLU-MCIONIFRSA-N 0 0 264.413 3.457 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NCc1c(F)cccc1Br ZINC000347697301 335403094 /nfs/dbraw/zinc/40/30/94/335403094.db2.gz COABHIRUEWFDRJ-RNCFNFMXSA-N 0 0 297.171 3.370 10 30 CGEERN C=C(Cl)CC(=O)C1(NC(=O)OC(C)(C)C)CCC1 ZINC000685959006 572881775 /nfs/dbraw/zinc/88/17/75/572881775.db2.gz HDICXFAIQBTPBN-UHFFFAOYSA-N 0 0 273.760 3.146 10 30 CGEERN C#CCC(C)(C)C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000185876925 518244506 /nfs/dbraw/zinc/24/45/06/518244506.db2.gz SADIZUDOSMTSGZ-CYBMUJFWSA-N 0 0 297.320 3.326 10 30 CGEERN C=CC[C@H](CO)NC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000183828404 519114264 /nfs/dbraw/zinc/11/42/64/519114264.db2.gz SIYWUWQUWPZCPP-CXAGYDPISA-N 0 0 298.386 3.137 10 30 CGEERN CCN(CCC#N)c1ccc([C@H](C)O)cc1Cl ZINC000061696480 520979028 /nfs/dbraw/zinc/97/90/28/520979028.db2.gz JYXWLQLWKLPFAJ-JTQLQIEISA-N 0 0 252.745 3.133 10 30 CGEERN CCOc1cccc(CN[C@H]2CCCC[C@H]2C#N)c1 ZINC000054825528 521376265 /nfs/dbraw/zinc/37/62/65/521376265.db2.gz CMOKZTWOOOJZKA-HOCLYGCPSA-N 0 0 258.365 3.257 10 30 CGEERN CN[C@@H](C#N)CCSc1ccc2ccccc2c1 ZINC000062456382 522317443 /nfs/dbraw/zinc/31/74/43/522317443.db2.gz MCWXTRNOPRNCQG-CQSZACIVSA-N 0 0 256.374 3.434 10 30 CGEERN COCCN(c1cccc(Cl)c1C#N)[C@H](C)C1CC1 ZINC000052908925 523784287 /nfs/dbraw/zinc/78/42/87/523784287.db2.gz KTAFLGKUUMETPD-LLVKDONJSA-N 0 0 278.783 3.463 10 30 CGEERN CC[C@H](C)N(CC)c1ccc(Cl)cc1/C(N)=N/O ZINC000052860533 523935467 /nfs/dbraw/zinc/93/54/67/523935467.db2.gz BGNXOCPXQHFFEV-VIFPVBQESA-N 0 0 269.776 3.059 10 30 CGEERN Cc1cc(=O)[nH]c(Sc2cccc(Cl)c2C#N)n1 ZINC000052909207 525345214 /nfs/dbraw/zinc/34/52/14/525345214.db2.gz UZPIOITUMADNNR-UHFFFAOYSA-N 0 0 277.736 3.167 10 30 CGEERN N#C[C@@H](Nc1ccc(Br)cc1)C1CCOCC1 ZINC000052178724 526496864 /nfs/dbraw/zinc/49/68/64/526496864.db2.gz QDLNBPZXWDOSDE-CYBMUJFWSA-N 0 0 295.180 3.180 10 30 CGEERN CC(C)[C@@H]1N(C(=O)N[C@@H]2CCC[C@@H]2C#N)CC12CCC2 ZINC000330198601 528803720 /nfs/dbraw/zinc/80/37/20/528803720.db2.gz UIAIUMCQGUYGJG-MCIONIFRSA-N 0 0 275.396 3.103 10 30 CGEERN C#CCOCCC(=O)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000179189523 620372030 /nfs/dbraw/zinc/37/20/30/620372030.db2.gz DEKLMQRWIWUEBQ-AWEZNQCLSA-N 0 0 273.376 3.027 10 30 CGEERN C=C(C)COC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000171770969 623189892 /nfs/dbraw/zinc/18/98/92/623189892.db2.gz CLUPIUHEFJAYMC-MNOVXSKESA-N 0 0 252.260 3.188 10 30 CGEERN C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H](C)C(C)C ZINC000062474242 623241569 /nfs/dbraw/zinc/24/15/69/623241569.db2.gz YOXBWVMSYJEWEX-ZDUSSCGKSA-N 0 0 276.355 3.015 10 30 CGEERN C#CCCCNC(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000174097893 623360556 /nfs/dbraw/zinc/36/05/56/623360556.db2.gz KLHYIHJXLZCXDL-NSHDSACASA-N 0 0 264.756 3.114 10 30 CGEERN COc1ccc([C@H](C)C(=O)OCC2(CC#N)CC2)cc1 ZINC000174737961 623637812 /nfs/dbraw/zinc/63/78/12/623637812.db2.gz PZZSOPOPXGNZNP-LBPRGKRZSA-N 0 0 273.332 3.036 10 30 CGEERN C#CCCCCC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000179699310 624676543 /nfs/dbraw/zinc/67/65/43/624676543.db2.gz OUIWNSICEDJUBP-RYUDHWBXSA-N 0 0 275.314 3.417 10 30 CGEERN Cn1cccc1/C=C1/CS/C(=C/c2cccn2C)C1=O ZINC000096448700 640830061 /nfs/dbraw/zinc/83/00/61/640830061.db2.gz XWSGKXFRZAGMGT-LURFLBPHSA-N 0 0 284.384 3.104 10 30 CGEERN CC[C@@H](CC#N)OC(=O)/C(C)=C\c1ccc(OC)c(F)c1 ZINC000588558099 799711773 /nfs/dbraw/zinc/71/17/73/799711773.db2.gz BFUSIOZGVPKYQX-FUWURINLSA-N 0 0 291.322 3.473 10 30 CGEERN O=C1c2cccc(F)c2SC/C1=C/c1cocn1 ZINC000588580740 799716681 /nfs/dbraw/zinc/71/66/81/799716681.db2.gz IJZBJFVDMSCWMI-YWEYNIOJSA-N 0 0 261.277 3.186 10 30 CGEERN Cc1ccc2c(c1)OCC/C(=C/c1cocn1)C2=O ZINC000588578928 799716735 /nfs/dbraw/zinc/71/67/35/799716735.db2.gz CEPHQWWJWDWARL-XFFZJAGNSA-N 0 0 255.273 3.032 10 30 CGEERN C=CC(C)(C)CC[NH2+]Cc1ccc(C(=O)[O-])c(F)c1 ZINC000701894377 977052305 /nfs/dbraw/zinc/05/23/05/977052305.db2.gz XBLOSUVTYGYLEQ-UHFFFAOYSA-N 0 0 265.328 3.216 10 30 CGEERN CCOC(=O)[C@@]1(C#N)C[C@H]1c1ccc(Br)cc1 ZINC000095616836 185016034 /nfs/dbraw/zinc/01/60/34/185016034.db2.gz GITKMPNCZJGOCJ-WCQYABFASA-N 0 0 294.148 3.009 10 30 CGEERN CC(C)(C)OC(=O)[C@H](C#N)c1cncc(C(F)(F)F)c1 ZINC000095642752 185017221 /nfs/dbraw/zinc/01/72/21/185017221.db2.gz ASXOLQVDNCEIKI-SNVBAGLBSA-N 0 0 286.253 3.049 10 30 CGEERN C=CCN1C(=O)COc2ccc(-c3csc(C)n3)cc21 ZINC000020162544 136421534 /nfs/dbraw/zinc/42/15/34/136421534.db2.gz PUAWFYUMWNZYFW-UHFFFAOYSA-N 0 0 286.356 3.030 10 30 CGEERN C=CCOc1c(C)cc(C(=O)N(CC)CC)cc1C ZINC000003636536 344858585 /nfs/dbraw/zinc/85/85/85/344858585.db2.gz ZIQJZCYECYAVKQ-UHFFFAOYSA-N 0 0 261.365 3.350 10 30 CGEERN CC(C)CCOc1ccc(/C=C/C(=O)NO)cc1Cl ZINC000005298704 344860834 /nfs/dbraw/zinc/86/08/34/344860834.db2.gz CVMNGQUKPNSVQJ-GQCTYLIASA-N 0 0 283.755 3.284 10 30 CGEERN O=C(/C=C/c1ccccc1)c1ccc2c(c1)COCO2 ZINC000005946234 344863840 /nfs/dbraw/zinc/86/38/40/344863840.db2.gz ZLJFVMZCACTCTO-SOFGYWHQSA-N 0 0 266.296 3.449 10 30 CGEERN Cc1ccc(/C(=N\O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000006478620 344865319 /nfs/dbraw/zinc/86/53/19/344865319.db2.gz OMVINLSWVSQCOX-CCEZHUSRSA-N 0 0 256.261 3.130 10 30 CGEERN N#C[C@]1(NCc2ccccc2)CCc2ccccc2C1 ZINC000037939495 344954153 /nfs/dbraw/zinc/95/41/53/344954153.db2.gz YTFVFOLXQYYCGJ-SFHVURJKSA-N 0 0 262.356 3.227 10 30 CGEERN C=C(CSCc1ccc(OC)cc1)C(=O)OCC ZINC000034399126 344938867 /nfs/dbraw/zinc/93/88/67/344938867.db2.gz BCVPYBQWAFWYLF-UHFFFAOYSA-N 0 0 266.362 3.048 10 30 CGEERN Cc1ccc([S@](=O)c2cccc(F)c2C#N)cc1 ZINC000034523414 344940286 /nfs/dbraw/zinc/94/02/86/344940286.db2.gz SEJCWDPOPKEDGO-GOSISDBHSA-N 0 0 259.305 3.173 10 30 CGEERN Cc1ccc(-c2ccccc2-c2n[nH]nc2C#N)cc1 ZINC000034721559 344940923 /nfs/dbraw/zinc/94/09/23/344940923.db2.gz NKFXIMSLZLVDRD-UHFFFAOYSA-N 0 0 260.300 3.319 10 30 CGEERN Cc1ccc(Br)cc1NC[C@H](C)C#N ZINC000037368240 344949950 /nfs/dbraw/zinc/94/99/50/344949950.db2.gz FVAYMARVDIGDOF-MRVPVSSYSA-N 0 0 253.143 3.329 10 30 CGEERN C=C(C)[C@@H]1COC([C@H](C)[C@@H](C)C2=N[C@H](C(=C)C)CO2)=N1 ZINC000048547112 345067431 /nfs/dbraw/zinc/06/74/31/345067431.db2.gz LNFGJDBAWVODMB-MQYQWHSLSA-N 0 0 276.380 3.005 10 30 CGEERN Cc1ccc([C@@H](C)NC(=O)c2sccc2C#N)o1 ZINC000052035079 345096477 /nfs/dbraw/zinc/09/64/77/345096477.db2.gz QXEIHQJSBGUFCK-SECBINFHSA-N 0 0 260.318 3.012 10 30 CGEERN O=C[C@H]1CCCCN1Cc1ccc(Br)s1 ZINC000054237974 345130909 /nfs/dbraw/zinc/13/09/09/345130909.db2.gz TZIICZISJRLGNU-SECBINFHSA-N 0 0 288.210 3.064 10 30 CGEERN N#Cc1ccc(-n2cc(Br)cn2)cc1Cl ZINC000061847330 345235739 /nfs/dbraw/zinc/23/57/39/345235739.db2.gz NBPZIKVILNTMLZ-UHFFFAOYSA-N 0 0 282.528 3.160 10 30 CGEERN CCCOc1ccc(CN[C@H]2CCC[C@H]2C#N)cc1 ZINC000061891669 345236085 /nfs/dbraw/zinc/23/60/85/345236085.db2.gz BFROKQXZPFKCTM-HOCLYGCPSA-N 0 0 258.365 3.257 10 30 CGEERN N#C[C@@H]1CCCc2cc(S(=O)(=O)c3ccccc3)ccc21 ZINC000113554229 345960852 /nfs/dbraw/zinc/96/08/52/345960852.db2.gz ABDPKROISPVFOS-AWEZNQCLSA-N 0 0 297.379 3.463 10 30 CGEERN C=CC1CCN(C(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000110359917 345944579 /nfs/dbraw/zinc/94/45/79/345944579.db2.gz LCOWTNAHHCFKTD-KBPBESRZSA-N 0 0 291.341 3.493 10 30 CGEERN COC(=O)CCc1ccc(C#Cc2ccccc2)cc1 ZINC000116495400 345978222 /nfs/dbraw/zinc/97/82/22/345978222.db2.gz RLTAMLHTEIQTEW-UHFFFAOYSA-N 0 0 264.324 3.192 10 30 CGEERN Cc1nc2cnc3[nH]ccc3c2n1-c1ccc(C#N)cc1 ZINC000118521882 345989642 /nfs/dbraw/zinc/98/96/42/345989642.db2.gz FSTKFVXRPSFVPL-UHFFFAOYSA-N 0 0 273.299 3.082 10 30 CGEERN Cc1ccc([C@@H]2CC(=O)C=CO2)c(Br)c1 ZINC000129789192 346052959 /nfs/dbraw/zinc/05/29/59/346052959.db2.gz KYQKGCDFRSXWRG-LBPRGKRZSA-N 0 0 267.122 3.302 10 30 CGEERN N#CC[C@@H](O)c1ccc(Cl)cc1Br ZINC000126845358 346027553 /nfs/dbraw/zinc/02/75/53/346027553.db2.gz OZYLGLVTLWFXKL-SECBINFHSA-N 0 0 260.518 3.050 10 30 CGEERN C#CC[C@@H](CC)Nc1ncccc1Br ZINC000131176974 346063498 /nfs/dbraw/zinc/06/34/98/346063498.db2.gz SSCAMKILUKYDSC-SECBINFHSA-N 0 0 253.143 3.058 10 30 CGEERN C[C@H](C#N)CC(=O)c1ccc(Br)c(F)c1 ZINC000161538420 346175957 /nfs/dbraw/zinc/17/59/57/346175957.db2.gz YNSRHHWSKLIBBO-ZETCQYMHSA-N 0 0 270.101 3.321 10 30 CGEERN CC#CC[C@H](O)c1ccc(F)c(Br)c1 ZINC000169232727 346191911 /nfs/dbraw/zinc/19/19/11/346191911.db2.gz FDBWUKYJSYFUHL-NSHDSACASA-N 0 0 257.102 3.035 10 30 CGEERN C=C(C)CN(C)C(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000180287023 346254173 /nfs/dbraw/zinc/25/41/73/346254173.db2.gz OPYVRUCSVTWKRV-SNVBAGLBSA-N 0 0 268.307 3.243 10 30 CGEERN CCC[C@H](O)c1ccc(Br)c(C#N)c1 ZINC000205495677 346283330 /nfs/dbraw/zinc/28/33/30/346283330.db2.gz YYRBMVZMADKHOY-NSHDSACASA-N 0 0 254.127 3.154 10 30 CGEERN N#CC1(c2cccc(C(F)(F)F)c2)CC2(C1)OCCO2 ZINC000218451530 346293487 /nfs/dbraw/zinc/29/34/87/346293487.db2.gz WQVOABMFVHANDY-UHFFFAOYSA-N 0 0 283.249 3.004 10 30 CGEERN N#Cc1ccc([N+](=O)[O-])cc1C(F)(F)C(F)(F)F ZINC000220976613 346296709 /nfs/dbraw/zinc/29/67/09/346296709.db2.gz WQDQAFKNZYTFKZ-UHFFFAOYSA-N 0 0 266.125 3.121 10 30 CGEERN CCOc1ccc(C2(C#N)CCC(F)(F)CC2)cn1 ZINC000217348130 346290867 /nfs/dbraw/zinc/29/08/67/346290867.db2.gz ZNOLQHIRRNWJBC-UHFFFAOYSA-N 0 0 266.291 3.451 10 30 CGEERN CCc1cc(C)nc(OCc2ccccc2)c1C#N ZINC000217952228 346291835 /nfs/dbraw/zinc/29/18/35/346291835.db2.gz DSSGTMPXLJPNEF-UHFFFAOYSA-N 0 0 252.317 3.403 10 30 CGEERN C=C(C)[C@H](O)c1cccc(C)c1I ZINC000232568363 346326933 /nfs/dbraw/zinc/32/69/33/346326933.db2.gz HBAPFSBWGWNFLU-NSHDSACASA-N 0 0 288.128 3.209 10 30 CGEERN CC(C)(C#N)[C@@H](O)c1sccc1Br ZINC000228024171 346312412 /nfs/dbraw/zinc/31/24/12/346312412.db2.gz GJTJMCCSKRKIML-QMMMGPOBSA-N 0 0 260.156 3.094 10 30 CGEERN C#CCC[C@H](O)c1cc(C)cc(Br)c1 ZINC000228647608 346314842 /nfs/dbraw/zinc/31/48/42/346314842.db2.gz PURIBQYTYLYIMB-LBPRGKRZSA-N 0 0 253.139 3.204 10 30 CGEERN N#CCCNc1ccc(Br)c(Cl)c1 ZINC000232195980 346325437 /nfs/dbraw/zinc/32/54/37/346325437.db2.gz WVRUGYHDIXKHKL-UHFFFAOYSA-N 0 0 259.534 3.428 10 30 CGEERN C#CCCOc1cc(C)c(Br)c(C)c1 ZINC000235754560 346337077 /nfs/dbraw/zinc/33/70/77/346337077.db2.gz YVMMVAHWLWBGSC-UHFFFAOYSA-N 0 0 253.139 3.468 10 30 CGEERN N#Cc1c(Br)nccc1-c1ccccc1 ZINC000257856072 346400820 /nfs/dbraw/zinc/40/08/20/346400820.db2.gz BTQGTPOXQWOEGL-UHFFFAOYSA-N 0 0 259.106 3.383 10 30 CGEERN N#CC1(Cc2ccc(F)cc2Br)CC1 ZINC000306310791 346453533 /nfs/dbraw/zinc/45/35/33/346453533.db2.gz MKTAXRIITPONQS-UHFFFAOYSA-N 0 0 254.102 3.434 10 30 CGEERN N#CC1(Cc2cc(F)ccc2Br)CC1 ZINC000307613081 346464019 /nfs/dbraw/zinc/46/40/19/346464019.db2.gz LXGBSSDJPRBEFM-UHFFFAOYSA-N 0 0 254.102 3.434 10 30 CGEERN N#CCc1ccc(Br)c(C(F)(F)F)c1N ZINC000396052677 346578735 /nfs/dbraw/zinc/57/87/35/346578735.db2.gz NWFRHWQIPCSKMS-UHFFFAOYSA-N 0 0 279.059 3.116 10 30 CGEERN N#CCc1cc(C(F)(F)F)c(C(F)(F)F)cc1O ZINC000514262400 346636266 /nfs/dbraw/zinc/63/62/66/346636266.db2.gz OSZUCBZWCZIRRI-UHFFFAOYSA-N 0 0 269.144 3.496 10 30 CGEERN C=CCc1ccccc1O[C@@H](C)C(=O)NCCCCC ZINC000584650968 346704301 /nfs/dbraw/zinc/70/43/01/346704301.db2.gz MHODSAAYLGAABS-AWEZNQCLSA-N 0 0 275.392 3.489 10 30 CGEERN CCCC[C@@](C#N)(C(=O)OCC)c1cccc(OC)c1 ZINC000584595495 346686894 /nfs/dbraw/zinc/68/68/94/346686894.db2.gz BEFRPGLPFDORPV-INIZCTEOSA-N 0 0 275.348 3.210 10 30 CGEERN COc1ccc([C@@]23CCC(=O)C(C)=C2CCCC3=O)cc1 ZINC000584615803 346693708 /nfs/dbraw/zinc/69/37/08/346693708.db2.gz GQSQJJTWFSNZJX-SFHVURJKSA-N 0 0 284.355 3.365 10 30 CGEERN Cc1cc(-c2cc(C#N)cc3cc(C(N)=O)[nH]c32)ccc1F ZINC000584618928 346695051 /nfs/dbraw/zinc/69/50/51/346695051.db2.gz YBSUZVPEZGTLFJ-UHFFFAOYSA-N 0 0 293.301 3.253 10 30 CGEERN Cc1cc(C)c([C@@H](O)C#CBr)c(C)c1 ZINC000584630979 346698502 /nfs/dbraw/zinc/69/85/02/346698502.db2.gz GJABPDFFGQCQLI-NSHDSACASA-N 0 0 253.139 3.001 10 30 CGEERN N#C[C@H](c1nccs1)[C@H](CCO)c1c(F)cccc1F ZINC000584630352 346698653 /nfs/dbraw/zinc/69/86/53/346698653.db2.gz QVPCOYKXBNMBRP-UWVGGRQHSA-N 0 0 294.326 3.195 10 30 CGEERN N#C[C@H]1CCCC[C@H]1NCc1cccnc1C(F)(F)F ZINC000599465969 347746926 /nfs/dbraw/zinc/74/69/26/347746926.db2.gz WTUZENJZKJVHMZ-ZYHUDNBSSA-N 0 0 283.297 3.272 10 30 CGEERN CCOC(=O)N1CCCC[C@H]1c1ccccc1C#N ZINC000616616908 348847352 /nfs/dbraw/zinc/84/73/52/348847352.db2.gz YAOAOGIJXVZAQW-AWEZNQCLSA-N 0 0 258.321 3.242 10 30 CGEERN CCOC(=O)N1CCCC[C@H]1c1ccc(C#N)cc1 ZINC000616616828 348847383 /nfs/dbraw/zinc/84/73/83/348847383.db2.gz SFUDFHOBHZACRD-AWEZNQCLSA-N 0 0 258.321 3.242 10 30 CGEERN N#Cc1ccc(C2(Cc3ccccc3)OCCO2)cc1 ZINC000090567143 180006595 /nfs/dbraw/zinc/00/65/95/180006595.db2.gz KTFTYUCDVNKLBU-UHFFFAOYSA-N 0 0 265.312 3.001 10 30 CGEERN N#Cc1cc(N2CC[C@@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000227977520 283106387 /nfs/dbraw/zinc/10/63/87/283106387.db2.gz QNZPWKXIDBAXFL-SMDDNHRTSA-N 0 0 271.320 3.235 10 30 CGEERN N#Cc1cnn(-c2ccc(Br)cc2)c1Cl ZINC000034085281 283245218 /nfs/dbraw/zinc/24/52/18/283245218.db2.gz VUCAYZBSNOAXSW-UHFFFAOYSA-N 0 0 282.528 3.160 10 30 CGEERN N#Cc1ccc(NC(=O)[C@H]2CCCc3cccnc32)cc1 ZINC000193781045 138483523 /nfs/dbraw/zinc/48/35/23/138483523.db2.gz HVXKBVRQWJRYGD-HNNXBMFYSA-N 0 0 277.327 3.012 10 30 CGEERN C[C@@H]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)c2ccccc21 ZINC000181363360 189295196 /nfs/dbraw/zinc/29/51/96/189295196.db2.gz SWOYXXJMYUZEQI-BZNIZROVSA-N 0 0 279.343 3.255 10 30 CGEERN Cc1cc(C#N)cc(N[C@@H](C)COCc2ccccc2)n1 ZINC000342299557 216298769 /nfs/dbraw/zinc/29/87/69/216298769.db2.gz XFXKVPQSSZZPKX-AWEZNQCLSA-N 0 0 281.359 3.279 10 30 CGEERN CCS[C@H]1CC[C@]1(O)CNc1ccc(C#N)c(Cl)c1 ZINC000301485533 201024264 /nfs/dbraw/zinc/02/42/64/201024264.db2.gz HEXDOLGKBRCMSF-KBPBESRZSA-N 0 0 296.823 3.270 10 30 CGEERN COC(=O)C(C)(C)C(C)(C)Nc1cccc(F)c1C#N ZINC000301581332 201079666 /nfs/dbraw/zinc/07/96/66/201079666.db2.gz SQBVMXNKPWKGQJ-UHFFFAOYSA-N 0 0 278.327 3.087 10 30 CGEERN Cc1ccc(OCCN(C)c2cc(C)nc(C)c2C#N)cc1 ZINC000301801311 201205955 /nfs/dbraw/zinc/20/59/55/201205955.db2.gz WDTGUBCRSJRUQP-UHFFFAOYSA-N 0 0 295.386 3.394 10 30 CGEERN COc1ccc(F)cc1CSc1cccc(C#N)n1 ZINC000301854590 201234220 /nfs/dbraw/zinc/23/42/20/201234220.db2.gz QSQHLLMUFYFGPQ-UHFFFAOYSA-N 0 0 274.320 3.393 10 30 CGEERN N#Cc1ccc(N(C[C@@H](O)c2ccc(F)cc2)C2CC2)cc1 ZINC000120294204 370756311 /nfs/dbraw/zinc/75/63/11/370756311.db2.gz PIDKPKLXRBSVPB-GOSISDBHSA-N 0 0 296.345 3.400 10 30 CGEERN C#CCN(Cc1ccc(F)cc1)C(=O)[C@H]1C[C@H]1c1ccco1 ZINC000121331873 370852148 /nfs/dbraw/zinc/85/21/48/370852148.db2.gz ZJAULVZOHMXETK-CVEARBPZSA-N 0 0 297.329 3.184 10 30 CGEERN Oc1cccc(NC(=S)Nc2cccc(O)c2)c1 ZINC000025997996 368855106 /nfs/dbraw/zinc/85/51/06/368855106.db2.gz FUJPHUMMZXYJIN-UHFFFAOYSA-N 0 0 260.318 3.127 10 30 CGEERN COc1ccc2c(c1)c(-c1ccccc1)c(C#N)[nH]c2=O ZINC000034418270 368974100 /nfs/dbraw/zinc/97/41/00/368974100.db2.gz TVUAYFVGQJIYGX-UHFFFAOYSA-N 0 0 276.295 3.488 10 30 CGEERN CC(C)(C)Nc1nccc(C#Cc2ccc(F)cc2)n1 ZINC000035924280 369005576 /nfs/dbraw/zinc/00/55/76/369005576.db2.gz ISXQUWSDJKMSPH-UHFFFAOYSA-N 0 0 269.323 3.226 10 30 CGEERN Cc1nc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2C#N)cs1 ZINC000037131489 369066471 /nfs/dbraw/zinc/06/64/71/369066471.db2.gz ZTYAZKOUAPPBFS-MRVPVSSYSA-N 0 0 288.332 3.405 10 30 CGEERN COc1ccc2c(c1)O[C@H](C(F)(F)F)C[C@@H]2S ZINC000043465019 369253476 /nfs/dbraw/zinc/25/34/76/369253476.db2.gz MVBQXVPEHYTZFK-UWVGGRQHSA-N 0 0 264.268 3.380 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NCc1ccc(Br)cc1F ZINC000061891811 369610538 /nfs/dbraw/zinc/61/05/38/369610538.db2.gz VUHMKWGHZDQWGK-RNCFNFMXSA-N 0 0 297.171 3.370 10 30 CGEERN COc1ccc(CN[C@H]2CCC[C@H]2C#N)cc1OC(F)F ZINC000061891026 369610556 /nfs/dbraw/zinc/61/05/56/369610556.db2.gz YHWJNWSBHFYQOE-RYUDHWBXSA-N 0 0 296.317 3.078 10 30 CGEERN N#C[C@H]1CCC[C@H]1NCc1ccccc1OC(F)F ZINC000061891500 369610916 /nfs/dbraw/zinc/61/09/16/369610916.db2.gz KITOIIOLDQAVIL-ZYHUDNBSSA-N 0 0 266.291 3.070 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)Cc1cccc2ccccc21 ZINC000061889294 369611268 /nfs/dbraw/zinc/61/12/68/369611268.db2.gz PHUPLUKTTVDHTE-RDJZCZTQSA-N 0 0 278.355 3.191 10 30 CGEERN N#Cc1cc([N+](=O)[O-])ccc1N[C@H]1COc2ccccc21 ZINC000070199015 369789763 /nfs/dbraw/zinc/78/97/63/369789763.db2.gz XXZOQLZWBXVMTB-AWEZNQCLSA-N 0 0 281.271 3.012 10 30 CGEERN C=CCNC(=O)NC(C)(C)Cc1ccccc1Cl ZINC000103246470 370322959 /nfs/dbraw/zinc/32/29/59/370322959.db2.gz RSCBUQYHAMGJBG-UHFFFAOYSA-N 0 0 266.772 3.146 10 30 CGEERN N#CC1(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)CCCC1 ZINC000109086966 370360613 /nfs/dbraw/zinc/36/06/13/370360613.db2.gz IINJRKHFSGCIBL-NEPJUHHUSA-N 0 0 290.313 3.021 10 30 CGEERN N#CC1(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)CCCC1 ZINC000109086972 370360904 /nfs/dbraw/zinc/36/09/04/370360904.db2.gz IINJRKHFSGCIBL-VXGBXAGGSA-N 0 0 290.313 3.021 10 30 CGEERN Cc1ccc(C(=O)C=C(N)C(=O)c2ccc(C)cc2)cc1 ZINC000103556235 370332305 /nfs/dbraw/zinc/33/23/05/370332305.db2.gz JJWIXTGEEPTWQR-WJDWOHSUSA-N 0 0 279.339 3.212 10 30 CGEERN C[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1sccc1C#N ZINC000117569341 370594588 /nfs/dbraw/zinc/59/45/88/370594588.db2.gz LMDMVUYUHADZCI-NOZJJQNGSA-N 0 0 284.340 3.123 10 30 CGEERN C[C@@H]1c2ccccc2O[C@H]1C(=O)Oc1ccc(C#N)cc1 ZINC000117562032 370594842 /nfs/dbraw/zinc/59/48/42/370594842.db2.gz OUWGKDLOPPKSRN-BDJLRTHQSA-N 0 0 279.295 3.028 10 30 CGEERN C=CCC[C@H](NC(=O)[C@@H](C)COC)c1ccccc1 ZINC000133676788 371272190 /nfs/dbraw/zinc/27/21/90/371272190.db2.gz LXDBUFKGXKEYSX-ZFWWWQNUSA-N 0 0 261.365 3.093 10 30 CGEERN C#Cc1cnn(C)c1-c1ccc(C(F)(F)F)cc1 ZINC000220033031 376205844 /nfs/dbraw/zinc/20/58/44/376205844.db2.gz BZJOXMJTQSLBAY-UHFFFAOYSA-N 0 0 250.223 3.087 10 30 CGEERN N#Cc1ccc(C[NH2+][C@@H]2CCOc3ccccc32)s1 ZINC000135670412 371442565 /nfs/dbraw/zinc/44/25/65/371442565.db2.gz HDSSOQHMPUYBOJ-CQSZACIVSA-N 0 0 270.357 3.233 10 30 CGEERN N#CCc1ccc(Br)c(OC(F)(F)F)c1 ZINC000149770484 371529124 /nfs/dbraw/zinc/52/91/24/371529124.db2.gz CPPAIYAHMKUJLS-UHFFFAOYSA-N 0 0 280.043 3.414 10 30 CGEERN C=C(C)CNC(=O)N[C@H](C)c1ccccc1Br ZINC000156490371 371980358 /nfs/dbraw/zinc/98/03/58/371980358.db2.gz UJEVSPOYZYQPPQ-SNVBAGLBSA-N 0 0 297.196 3.385 10 30 CGEERN Cc1ccc([C@@H]2CN(Cc3ccc(C#N)cc3)CCO2)o1 ZINC000159025609 372101225 /nfs/dbraw/zinc/10/12/25/372101225.db2.gz DODHXTMNGKZGQJ-KRWDZBQOSA-N 0 0 282.343 3.033 10 30 CGEERN CCSC[C@H](C)N(C)c1ccc([N+](=O)[O-])c(C#N)c1 ZINC000166975662 372587348 /nfs/dbraw/zinc/58/73/48/372587348.db2.gz JJSRQLLOSLTTBE-JTQLQIEISA-N 0 0 279.365 3.044 10 30 CGEERN Cc1ccc([C@H]2CCCCN2C(=O)c2cc(C#N)cn2C)o1 ZINC000177449874 373683253 /nfs/dbraw/zinc/68/32/53/373683253.db2.gz ROPRDZLWCJCAEW-CQSZACIVSA-N 0 0 297.358 3.166 10 30 CGEERN COc1cccc2c1CCN(c1cc(C)nc(C)c1C#N)C2 ZINC000302197910 373827442 /nfs/dbraw/zinc/82/74/42/373827442.db2.gz TZWATRXPZYDYBE-UHFFFAOYSA-N 0 0 293.370 3.141 10 30 CGEERN COc1cc(C=O)ccc1Oc1cc(C#N)ccc1[N+](=O)[O-] ZINC000302220015 373830167 /nfs/dbraw/zinc/83/01/67/373830167.db2.gz ROQYKCMUVHYHMI-UHFFFAOYSA-N 0 0 298.254 3.080 10 30 CGEERN CN(CCC#N)c1cc(C#N)c2cc(Cl)ccc2n1 ZINC000301711529 373799089 /nfs/dbraw/zinc/79/90/89/373799089.db2.gz DUFZAFNYPGWJMR-UHFFFAOYSA-N 0 0 270.723 3.110 10 30 CGEERN Cc1ccc(N2CCC[C@@H]2c2noc(C(C)C)n2)nc1C#N ZINC000302745122 373949981 /nfs/dbraw/zinc/94/99/81/373949981.db2.gz RTMKHUTXNWWLDX-CYBMUJFWSA-N 0 0 297.362 3.110 10 30 CGEERN O=C(N[C@H]1CCCO[C@@H]1c1ccncc1)[C@H]1CCSC1 ZINC000328654614 374375746 /nfs/dbraw/zinc/37/57/46/374375746.db2.gz LXZXSGPWSFFHLE-MELADBBJSA-N 0 0 292.404 3.011 10 30 CGEERN CO[C@@H]1[C@H](C)[C@H](NC(=O)C[C@H]2CCCCNC2=O)C1(C)C ZINC000329407742 374408583 /nfs/dbraw/zinc/40/85/83/374408583.db2.gz ZSKDACRRACKXHI-MHDGFBEUSA-N 0 0 296.411 3.149 10 30 CGEERN CCCS(=O)(=O)c1cccc(C#C[Si](C)(C)C)c1 ZINC000199880869 376124035 /nfs/dbraw/zinc/12/40/35/376124035.db2.gz QSMSFDYNDHAZOK-UHFFFAOYSA-N 0 0 280.465 3.099 10 30 CGEERN CC1(C)CCCC[C@H]1Nc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000232775035 376588180 /nfs/dbraw/zinc/58/81/80/376588180.db2.gz YRGOWXSEHNCJNF-GFCCVEGCSA-N 0 0 274.324 3.242 10 30 CGEERN CC(C)[C@](C)(C#N)NC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000245996201 376950667 /nfs/dbraw/zinc/95/06/67/376950667.db2.gz BTLCWGALVVXGHN-OZVIIMIRSA-N 0 0 292.329 3.123 10 30 CGEERN COc1cccc(N=Cc2ccc(OC)c(OC)c2)c1 ZINC000254506672 377709252 /nfs/dbraw/zinc/70/92/52/377709252.db2.gz XWOSRKDWSHDOLJ-UHFFFAOYSA-N 0 0 271.316 3.463 10 30 CGEERN CCOC(=O)c1cc(F)cc(C#N)c1SC(F)(F)F ZINC000575390619 377899117 /nfs/dbraw/zinc/89/91/17/377899117.db2.gz GFTKOOOMQZVTGO-UHFFFAOYSA-N 0 0 293.241 3.486 10 30 CGEERN N#CCc1ccc(C(F)(F)F)c(C(F)(F)F)c1O ZINC000575381450 377892416 /nfs/dbraw/zinc/89/24/16/377892416.db2.gz NUONBJKFYVJOME-UHFFFAOYSA-N 0 0 269.144 3.496 10 30 CGEERN CCOC(=O)c1cc(Cl)c(C#N)cc1C(F)(F)F ZINC000575383023 377893583 /nfs/dbraw/zinc/89/35/83/377893583.db2.gz AQCGUJYXNWEHLR-UHFFFAOYSA-N 0 0 277.629 3.407 10 30 CGEERN CCOC(=O)c1cc(C#N)cc(CC)c1OC(F)(F)F ZINC000575388764 377896105 /nfs/dbraw/zinc/89/61/05/377896105.db2.gz DISIFMPTQTYCCO-UHFFFAOYSA-N 0 0 287.237 3.196 10 30 CGEERN COC(=O)Cc1c(C(F)(F)F)ccc(C#N)c1C(F)F ZINC000575387037 377896181 /nfs/dbraw/zinc/89/61/81/377896181.db2.gz FMCLZMUYLLBCPF-UHFFFAOYSA-N 0 0 293.191 3.230 10 30 CGEERN CCOC(=O)c1ccc(CC)c(C#N)c1OC(F)(F)F ZINC000575389122 377896245 /nfs/dbraw/zinc/89/62/45/377896245.db2.gz ZGYLFRGUMVLFGU-UHFFFAOYSA-N 0 0 287.237 3.196 10 30 CGEERN COC(=O)c1ccc(OC(F)(F)F)c(C(F)F)c1C#N ZINC000575387514 377896390 /nfs/dbraw/zinc/89/63/90/377896390.db2.gz QHRKWMCZSKUZOB-UHFFFAOYSA-N 0 0 295.163 3.181 10 30 CGEERN CCOC(=O)c1c(C#N)ccc(F)c1SC(F)(F)F ZINC000575390715 377899811 /nfs/dbraw/zinc/89/98/11/377899811.db2.gz SXVUJAUWWFPRKG-UHFFFAOYSA-N 0 0 293.241 3.486 10 30 CGEERN CCOC(=O)Cc1cc(C(F)F)c(C#N)cc1CC ZINC000575389370 377897528 /nfs/dbraw/zinc/89/75/28/377897528.db2.gz CIBZDNXULRJXPC-UHFFFAOYSA-N 0 0 267.275 3.164 10 30 CGEERN N#CCc1cc(OC(F)F)c(C#N)c(C(F)(F)F)c1 ZINC000575638174 377924405 /nfs/dbraw/zinc/92/44/05/377924405.db2.gz FDAHBAVXTUFMLJ-UHFFFAOYSA-N 0 0 276.164 3.245 10 30 CGEERN CCc1cc(C#N)c(CC)cc1I ZINC000575652453 377929562 /nfs/dbraw/zinc/92/95/62/377929562.db2.gz RZKHRQJHCRAKOD-UHFFFAOYSA-N 0 0 285.128 3.288 10 30 CGEERN CCc1ccc(C#N)c(CC)c1I ZINC000575652763 377930741 /nfs/dbraw/zinc/93/07/41/377930741.db2.gz YSHCHWAFZNFGFW-UHFFFAOYSA-N 0 0 285.128 3.288 10 30 CGEERN CCOc1cc(OC(F)F)cc(CC#N)c1CC ZINC000575655878 377933088 /nfs/dbraw/zinc/93/30/88/377933088.db2.gz NIVQANZXTHIHMC-UHFFFAOYSA-N 0 0 255.264 3.315 10 30 CGEERN CCOc1cc(CC)c(OC(F)F)cc1CC#N ZINC000575657542 377933284 /nfs/dbraw/zinc/93/32/84/377933284.db2.gz XQWDJTASKSGKOF-UHFFFAOYSA-N 0 0 255.264 3.315 10 30 CGEERN N#Cc1ccc(F)c(C(F)(F)F)c1OC(F)F ZINC000575658452 377934941 /nfs/dbraw/zinc/93/49/41/377934941.db2.gz BIYLASPPEYXARC-UHFFFAOYSA-N 0 0 255.117 3.318 10 30 CGEERN N#Cc1ccc(C(F)(F)F)c(F)c1OC(F)F ZINC000575659567 377936228 /nfs/dbraw/zinc/93/62/28/377936228.db2.gz JABJTVYSFNINST-UHFFFAOYSA-N 0 0 255.117 3.318 10 30 CGEERN N#CCc1cc(O)cc(OC(F)F)c1C(F)(F)F ZINC000575661147 377937097 /nfs/dbraw/zinc/93/70/97/377937097.db2.gz AEDVRQRALJSJMH-UHFFFAOYSA-N 0 0 267.153 3.078 10 30 CGEERN Cc1cc(C(F)(F)F)c(C#N)cc1OC(F)F ZINC000575665586 377941754 /nfs/dbraw/zinc/94/17/54/377941754.db2.gz RHABMFBAJFLFEB-UHFFFAOYSA-N 0 0 251.154 3.487 10 30 CGEERN N#CCc1cc(C(F)(F)F)cc([N+](=O)[O-])c1OC(F)F ZINC000575665447 377942041 /nfs/dbraw/zinc/94/20/41/377942041.db2.gz FFOSYWGUPNMTDP-UHFFFAOYSA-N 0 0 296.151 3.281 10 30 CGEERN CCOc1cc(C#N)c(CC)cc1OC(F)(F)F ZINC000575672108 377948671 /nfs/dbraw/zinc/94/86/71/377948671.db2.gz VYYLEZSVIGFLQI-UHFFFAOYSA-N 0 0 259.227 3.418 10 30 CGEERN Cc1cc(C#N)c(Br)cc1OC(F)F ZINC000575683249 377957164 /nfs/dbraw/zinc/95/71/64/377957164.db2.gz NTORDQPRCKSBKM-UHFFFAOYSA-N 0 0 262.053 3.231 10 30 CGEERN N#Cc1c(OC(F)F)ccc(Cl)c1OC(F)F ZINC000575677178 377951555 /nfs/dbraw/zinc/95/15/55/377951555.db2.gz RUWJDWLPIWDYQF-UHFFFAOYSA-N 0 0 269.581 3.414 10 30 CGEERN N#CCc1cc(OC(F)F)cc(F)c1Br ZINC000575679953 377953373 /nfs/dbraw/zinc/95/33/73/377953373.db2.gz GPBVYGHTPCKBQQ-UHFFFAOYSA-N 0 0 280.043 3.256 10 30 CGEERN Fc1ccc(F)c(OC(F)(F)F)c1OC(F)F ZINC000575396803 377903735 /nfs/dbraw/zinc/90/37/35/377903735.db2.gz VSUHWJNTUDLATM-UHFFFAOYSA-N 0 0 264.096 3.465 10 30 CGEERN CCOc1cc(Br)c(C#N)c(OCC)c1 ZINC000575680383 377954660 /nfs/dbraw/zinc/95/46/60/377954660.db2.gz FZDFYCKXHXABRB-UHFFFAOYSA-N 0 0 270.126 3.118 10 30 CGEERN C[C@@H]1CCCCC[C@]1(C#N)NC(=O)OC(C)(C)C ZINC000575496126 377914813 /nfs/dbraw/zinc/91/48/13/377914813.db2.gz DTEYHHOSUMILDR-BXUZGUMPSA-N 0 0 252.358 3.374 10 30 CGEERN C[C@H]1CC(C)(C)C[C@@]1(C#N)NC(=O)OC(C)(C)C ZINC000575496026 377914966 /nfs/dbraw/zinc/91/49/66/377914966.db2.gz CZRSMRYCBRTRFE-HZMBPMFUSA-N 0 0 252.358 3.230 10 30 CGEERN CC#CCNc1cc(C)cc(I)c1 ZINC000575488424 377915223 /nfs/dbraw/zinc/91/52/23/377915223.db2.gz LWHZORRWDFQQDO-UHFFFAOYSA-N 0 0 285.128 3.035 10 30 CGEERN N#CCc1cc(Br)cc([N+](=O)[O-])c1C(F)F ZINC000575688219 377963226 /nfs/dbraw/zinc/96/32/26/377963226.db2.gz ZOOIZDAATZDTKA-UHFFFAOYSA-N 0 0 291.051 3.361 10 30 CGEERN N#Cc1cc(O)cc(Br)c1C(F)(F)F ZINC000575691337 377966427 /nfs/dbraw/zinc/96/64/27/377966427.db2.gz KPEFWITVHMETHG-UHFFFAOYSA-N 0 0 266.016 3.045 10 30 CGEERN N#CCc1c([N+](=O)[O-])cc(Cl)cc1C(F)(F)F ZINC000575695749 377969311 /nfs/dbraw/zinc/96/93/11/377969311.db2.gz SOSBROYBHMCFAX-UHFFFAOYSA-N 0 0 264.590 3.333 10 30 CGEERN CCc1c([N+](=O)[O-])ccc(OC(F)(F)F)c1CC#N ZINC000575706826 377979456 /nfs/dbraw/zinc/97/94/56/377979456.db2.gz XCVNKUWMWCICNI-UHFFFAOYSA-N 0 0 274.198 3.122 10 30 CGEERN CC#CCO/N=C/c1ccc(-c2ccccc2N)cc1 ZINC000584647628 378396115 /nfs/dbraw/zinc/39/61/15/378396115.db2.gz HEMKHCLVJCKKPW-CPNJWEJPSA-N 0 0 264.328 3.310 10 30 CGEERN O=C1/C(=C\c2ccncc2)CC/C1=C/c1ccncc1 ZINC000000214240 296313085 /nfs/dbraw/zinc/31/30/85/296313085.db2.gz VJTIKIQJUZWNSW-NFLUSIDLSA-N 0 0 262.312 3.307 10 30 CGEERN Cc1ccc(/C=N\S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000204087114 542283264 /nfs/dbraw/zinc/28/32/64/542283264.db2.gz NTXDXEGIZZZWEN-YBEGLDIGSA-N 0 0 293.775 3.456 10 30 CGEERN C#CCCCC(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000192088906 533020741 /nfs/dbraw/zinc/02/07/41/533020741.db2.gz UMJMATIELICWBI-SNVBAGLBSA-N 0 0 267.731 3.460 10 30 CGEERN Cc1n[nH]c(C)c1NC(=O)[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000328816858 542445301 /nfs/dbraw/zinc/44/53/01/542445301.db2.gz CZOCFVHNJUHEBP-SUMWQHHRSA-N 0 0 297.358 3.355 10 30 CGEERN C[C@@H]1OCC[C@@H]1NC(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000328930271 542445316 /nfs/dbraw/zinc/44/53/16/542445316.db2.gz HKGNHMCHOYKKOB-LXFSFDBISA-N 0 0 280.412 3.026 10 30 CGEERN Cc1ccc([C@H](C)NCc2ccc(C#N)o2)cc1F ZINC000088766014 260001555 /nfs/dbraw/zinc/00/15/55/260001555.db2.gz ZKWFGJBLWIXRTO-NSHDSACASA-N 0 0 258.296 3.450 10 30 CGEERN CCc1nnc(CS[C@H](C)c2cccc(C#N)c2)n1C ZINC000190821211 130149645 /nfs/dbraw/zinc/14/96/45/130149645.db2.gz MADYFUVPZJJSAL-LLVKDONJSA-N 0 0 286.404 3.244 10 30 CGEERN C=CC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccs1 ZINC000405905559 542627579 /nfs/dbraw/zinc/62/75/79/542627579.db2.gz GAFXHNZTISWLGJ-LLVKDONJSA-N 0 0 267.350 3.069 10 30 CGEERN C[C@@H]1CC(CNc2ccc(F)cc2C#N)C[C@@H](C)O1 ZINC000281973180 392265118 /nfs/dbraw/zinc/26/51/18/392265118.db2.gz VFZPJJSDIQRZMO-GHMZBOCLSA-N 0 0 262.328 3.313 10 30 CGEERN CCC[C@H](C)CC(=O)N1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000366208621 392451368 /nfs/dbraw/zinc/45/13/68/392451368.db2.gz AZETTXVTMNSIDR-UXLLHSPISA-N 0 0 292.423 3.267 10 30 CGEERN C=CC[C@@H](CO)NC(=O)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000182806129 392750294 /nfs/dbraw/zinc/75/02/94/392750294.db2.gz YDHRVILQQZVGBW-CJNGLKHVSA-N 0 0 290.407 3.107 10 30 CGEERN C[C@H](CC1CCCCC1)C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000408328185 392972118 /nfs/dbraw/zinc/97/21/18/392972118.db2.gz FXHGWPYVLMOLLJ-YUELXQCFSA-N 0 0 262.397 3.401 10 30 CGEERN Cc1cccc2c1C(=O)C(Nc1ccccc1)=CC2=O ZINC000196148796 392975008 /nfs/dbraw/zinc/97/50/08/392975008.db2.gz VZIKKCGDDMPMOT-UHFFFAOYSA-N 0 0 263.296 3.370 10 30 CGEERN O=C1c2c(oc(=O)c(Cl)c2Cl)C(Cl)=C1Cl ZINC000196132533 392975407 /nfs/dbraw/zinc/97/54/07/392975407.db2.gz YOFUYUWQUGDSGD-UHFFFAOYSA-N 0 0 285.897 3.289 10 30 CGEERN CCS[C@@H]1CC[C@H](Nc2nnc(C)c(C)c2C#N)C1 ZINC000078587521 165137075 /nfs/dbraw/zinc/13/70/75/165137075.db2.gz CVKYRKSUCZBNFS-NWDGAFQWSA-N 0 0 276.409 3.051 10 30 CGEERN N#Cc1cc(Cl)ccc1CN1CCO[C@H]2CCCC[C@H]21 ZINC000248579851 165777558 /nfs/dbraw/zinc/77/75/58/165777558.db2.gz VKGBQPFDLCFZGO-CVEARBPZSA-N 0 0 290.794 3.355 10 30 CGEERN COc1cc(C=NNc2ccc(C)cc2)ccc1O ZINC000005339563 170087511 /nfs/dbraw/zinc/08/75/11/170087511.db2.gz OPPMQSSYYHILDL-MHWRWJLKSA-N 0 0 256.305 3.155 10 30 CGEERN COc1ccc(OC)c(/N=C/c2ccc([N+](=O)[O-])cc2)c1 ZINC000005513148 170105987 /nfs/dbraw/zinc/10/59/87/170105987.db2.gz BIRVHTQQXMIFSR-MHWRWJLKSA-N 0 0 286.287 3.363 10 30 CGEERN O=S(=O)(/N=C/C=C\c1ccccc1)c1ccccc1 ZINC000006192802 170182217 /nfs/dbraw/zinc/18/22/17/170182217.db2.gz FLKIIIPKCJGYIM-YTLDOUCOSA-N 0 0 271.341 3.160 10 30 CGEERN O=[N+]([O-])c1cccc(/C=N/OCc2ccc(F)cc2)c1 ZINC000007263083 170274502 /nfs/dbraw/zinc/27/45/02/170274502.db2.gz BHHYPAGZWKEXEG-CXUHLZMHSA-N 0 0 274.251 3.285 10 30 CGEERN C[C@@H](Oc1ccc(C#N)cc1)C(=O)c1ccccc1 ZINC000009653668 170384030 /nfs/dbraw/zinc/38/40/30/170384030.db2.gz IXOVJISRZPUVJV-GFCCVEGCSA-N 0 0 251.285 3.208 10 30 CGEERN CC(C)(C)c1ccc(Oc2cc(/C(N)=N/O)ccn2)cc1 ZINC000019502231 170815216 /nfs/dbraw/zinc/81/52/16/170815216.db2.gz FUKRJAMRAVPGHD-UHFFFAOYSA-N 0 0 285.347 3.266 10 30 CGEERN CC[C@H]1CCCC[C@H]1Oc1ccc(/C(N)=N/O)cc1 ZINC000019866184 170899569 /nfs/dbraw/zinc/89/95/69/170899569.db2.gz GYCXOBNZOMIBFS-SMDDNHRTSA-N 0 0 262.353 3.129 10 30 CGEERN CCOc1cc(CNc2ccc(C#N)cc2)ccc1O ZINC000019950737 170939110 /nfs/dbraw/zinc/93/91/10/170939110.db2.gz VGZYKGSNKAIYMZ-UHFFFAOYSA-N 0 0 268.316 3.275 10 30 CGEERN C=C1C(=O)O[C@@H]2/C=C(/C)CC/C=C(/C)C[C@@H](OC(C)=O)[C@@H]12 ZINC000033953353 171828019 /nfs/dbraw/zinc/82/80/19/171828019.db2.gz UPNVKIZABMRHNR-JBTXAANASA-N 0 0 290.359 3.092 10 30 CGEERN COC(=O)[C@@H](C)N=C(c1ccccc1)c1ccccc1 ZINC000034925775 171894251 /nfs/dbraw/zinc/89/42/51/171894251.db2.gz JRWHHNOBMTWAPR-CYBMUJFWSA-N 0 0 267.328 3.086 10 30 CGEERN C[C@H](Nc1cccnc1)c1ccc(OCC#N)cc1 ZINC000037187067 173017675 /nfs/dbraw/zinc/01/76/75/173017675.db2.gz SGHKVSAKDYJPFQ-LBPRGKRZSA-N 0 0 253.305 3.157 10 30 CGEERN N/C(=N\O)c1ccccc1Sc1ccc(F)c(F)c1 ZINC000037380833 173167266 /nfs/dbraw/zinc/16/72/66/173167266.db2.gz HQCMHWUUZNBBNY-UHFFFAOYSA-N 0 0 280.299 3.211 10 30 CGEERN N#C[C@H](NC[C@H]1CCCO1)c1cccc(Cl)c1Cl ZINC000037939810 173879634 /nfs/dbraw/zinc/87/96/34/173879634.db2.gz LGOFLMMWURPBBJ-SKDRFNHKSA-N 0 0 285.174 3.327 10 30 CGEERN CC[C@H](C)Oc1ccc2ccccc2c1C#CCO ZINC000038077819 174088268 /nfs/dbraw/zinc/08/82/68/174088268.db2.gz CTUKUEKBOATHJP-ZDUSSCGKSA-N 0 0 254.329 3.361 10 30 CGEERN N#C[C@@H](c1ccc(F)cc1F)N1CCCCCC1 ZINC000038086169 174096728 /nfs/dbraw/zinc/09/67/28/174096728.db2.gz AXMRNJAGBQUJTH-AWEZNQCLSA-N 0 0 250.292 3.405 10 30 CGEERN C=CC[C@@H](CN(CC=C)C(=O)OC(C)(C)C)C(=O)OCC ZINC000038875510 174157944 /nfs/dbraw/zinc/15/79/44/174157944.db2.gz JHJVLXXLUWOXES-ZDUSSCGKSA-N 0 0 297.395 3.165 10 30 CGEERN N#Cc1ccc(Cl)cc1NC(=O)Cc1ccccc1 ZINC000039153717 174164049 /nfs/dbraw/zinc/16/40/49/174164049.db2.gz USLTXEZFBBRGAI-UHFFFAOYSA-N 0 0 270.719 3.393 10 30 CGEERN C=CCNc1ncnc(Nc2ccc(Cl)cc2)c1N ZINC000040708991 174380582 /nfs/dbraw/zinc/38/05/82/174380582.db2.gz VJGAEUGYZXZXCX-UHFFFAOYSA-N 0 0 275.743 3.054 10 30 CGEERN N#CCCN(c1c(F)c(F)c(F)c(F)c1F)C1CC1 ZINC000042549606 174789119 /nfs/dbraw/zinc/78/91/19/174789119.db2.gz PREGJDCAIFEDJW-UHFFFAOYSA-N 0 0 276.208 3.265 10 30 CGEERN CC1(C)CCC(CC(=O)N[C@H]2CCC[C@H]2C#N)CC1 ZINC000407962451 260084499 /nfs/dbraw/zinc/08/44/99/260084499.db2.gz BETNHRGRGNYVPX-KBPBESRZSA-N 0 0 262.397 3.401 10 30 CGEERN NC(=O)[C@@H]1CCC[C@H](NC(=O)C[C@@H]2CCCCNC2=O)C1 ZINC000329256389 227386199 /nfs/dbraw/zinc/38/61/99/227386199.db2.gz BPMYXBALUWEPCO-WOPDTQHZSA-N 0 0 295.383 3.184 10 30 CGEERN COCCC1(NC(=O)C[C@@H]2CCCCNC2=O)CCC1 ZINC000329835252 227962583 /nfs/dbraw/zinc/96/25/83/227962583.db2.gz LZZOAEJPQOIABV-LBPRGKRZSA-N 0 0 282.384 3.049 10 30 CGEERN Cc1ccc2c(c1)CC[C@H](C(=O)N[C@@H]1CCC[C@H]1C#N)O2 ZINC000330010916 228016427 /nfs/dbraw/zinc/01/64/27/228016427.db2.gz IKVHCGMZFQRLDV-SQWLQELKSA-N 0 0 284.359 3.337 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(C2CCC2)cn1 ZINC000333670062 228209756 /nfs/dbraw/zinc/20/97/56/228209756.db2.gz NQDFDKVIQGFSLB-GXTWGEPZSA-N 0 0 284.363 3.163 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NCc1cccc(C(F)F)c1 ZINC000156007968 260777676 /nfs/dbraw/zinc/77/76/76/260777676.db2.gz WWUMTNWNFNUGGF-STQMWFEESA-N 0 0 250.292 3.406 10 30 CGEERN CC(C)[C@H]1CCCC[C@@H]1NC(=O)N1CCC(C#N)CC1 ZINC000105244622 261308580 /nfs/dbraw/zinc/30/85/80/261308580.db2.gz IMEQNUMCQQMPOF-CABCVRRESA-N 0 0 277.412 3.146 10 30 CGEERN O=C(Nc1nccn1-c1ccccc1)N1CC[C@@H]2CCC[C@@H]21 ZINC000328713340 263848577 /nfs/dbraw/zinc/84/85/77/263848577.db2.gz BYDCYRCXOVPHAJ-ZFWWWQNUSA-N 0 0 296.374 3.292 10 30 CGEERN N#Cc1nccc2c(F)cc(Br)cc12 ZINC000521401614 268323681 /nfs/dbraw/zinc/32/36/81/268323681.db2.gz LOWLADUJMCWPOU-UHFFFAOYSA-N 0 0 251.058 3.008 10 30 CGEERN CC(C)(C)n1nc(C(F)(F)F)c(C#N)c1Cl ZINC000057354242 275855584 /nfs/dbraw/zinc/85/55/84/275855584.db2.gz OHMVFSHNJYUYEA-UHFFFAOYSA-N 0 0 251.639 3.182 10 30 CGEERN CC1CCC(Nc2cc(C#N)ccc2[N+](=O)[O-])CC1 ZINC000124727563 276191204 /nfs/dbraw/zinc/19/12/04/276191204.db2.gz QOELTELHZYNVEC-UHFFFAOYSA-N 0 0 259.309 3.457 10 30 CGEERN COc1ccc(/C=C2/COc3cc(O)ccc3C2=O)cc1 ZINC000038816510 277398903 /nfs/dbraw/zinc/39/89/03/277398903.db2.gz DLQSYZMPSWHYMW-WQLSENKSSA-N 0 0 282.295 3.060 10 30 biogenic,in-vitro CGEERN N#Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H]2CCCC[C@H]21 ZINC000229105109 279507061 /nfs/dbraw/zinc/50/70/61/279507061.db2.gz LTAAIINUXOSJBF-SMDDNHRTSA-N 0 0 271.320 3.235 10 30 CGEERN C[C@@H]1C[C@@H](C(=O)N(C)C2(C#N)CCC2)CC(C)(C)C1 ZINC000182223012 329241117 /nfs/dbraw/zinc/24/11/17/329241117.db2.gz GQDLRCNWCYWOPZ-CHWSQXEVSA-N 0 0 262.397 3.353 10 30 CGEERN N#CC1(C(=O)N[C@@H]2CCOc3ccccc32)CCCCC1 ZINC000049081225 327281788 /nfs/dbraw/zinc/28/17/88/327281788.db2.gz SNPKRVOBZFURKB-CQSZACIVSA-N 0 0 284.359 3.100 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1csc2c1CCCC2 ZINC000335751968 327517949 /nfs/dbraw/zinc/51/79/49/327517949.db2.gz RTQRCWHSBADOFM-GXFFZTMASA-N 0 0 274.389 3.049 10 30 CGEERN CC[C@H](CC#N)N[C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000054183368 328690060 /nfs/dbraw/zinc/69/00/60/328690060.db2.gz UOHLNYLDJIJVNK-DGCLKSJQSA-N 0 0 292.379 3.055 10 30 CGEERN C=CCC1(C(=O)Nc2cccc(-c3ncon3)c2)CCC1 ZINC000190956668 329403514 /nfs/dbraw/zinc/40/35/14/329403514.db2.gz INLDALGVUSXJRR-UHFFFAOYSA-N 0 0 283.331 3.422 10 30 CGEERN C=CCN(Cc1cccs1)C(=O)[C@H]1CCCO[C@H]1C ZINC000191678921 329416723 /nfs/dbraw/zinc/41/67/23/329416723.db2.gz VGAXLAUFBWVQBE-JSGCOSHPSA-N 0 0 279.405 3.078 10 30 CGEERN CN1Cc2cc(N[C@@H]3CCC[C@@H](C#N)C3)ccc2NC1=O ZINC000193304227 329439846 /nfs/dbraw/zinc/43/98/46/329439846.db2.gz UCMVYKDREFOWQA-DGCLKSJQSA-N 0 0 284.363 3.158 10 30 CGEERN C#Cc1cccc(NC(=O)[C@H]2Oc3ccccc3[C@H]2C)c1 ZINC000117589573 329546301 /nfs/dbraw/zinc/54/63/01/329546301.db2.gz QGCBQCLKYUHJQB-PXAZEXFGSA-N 0 0 277.323 3.171 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000225124620 333231401 /nfs/dbraw/zinc/23/14/01/333231401.db2.gz YLCUGOUPTZVVDS-KXNHARMFSA-N 0 0 288.313 3.164 10 30 CGEERN CC#CCNC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000135810010 334138974 /nfs/dbraw/zinc/13/89/74/334138974.db2.gz XGOYNDCHAAKVGB-OAHLLOKOSA-N 0 0 298.386 3.146 10 30 CGEERN C=C(C)CNC(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000156480540 334743189 /nfs/dbraw/zinc/74/31/89/334743189.db2.gz DIPUYHJDCFOQHL-AWEZNQCLSA-N 0 0 262.328 3.078 10 30 CGEERN CC1(C)CCN(c2cc(Cl)ccc2/C(N)=N/O)CC1 ZINC000062789561 520383828 /nfs/dbraw/zinc/38/38/28/520383828.db2.gz YPISQEGUNOTEPD-UHFFFAOYSA-N 0 0 281.787 3.061 10 30 CGEERN C[C@@H]1OCCC[C@@H]1C(=O)NCc1nc2c(s1)CCCC2 ZINC000330043437 534150732 /nfs/dbraw/zinc/15/07/32/534150732.db2.gz HGFQALUPFYGIPN-QWRGUYRKSA-N 0 0 294.420 3.294 10 30 CGEERN CC(C)CN(C(=O)[C@@H](C#N)c1ccccc1)C(C)C ZINC000061615182 519706702 /nfs/dbraw/zinc/70/67/02/519706702.db2.gz VKRQSWFMNUSPAE-HNNXBMFYSA-N 0 0 258.365 3.187 10 30 CGEERN CCCc1ccc(OC[C@](C)(C#N)NC(C)C)cc1 ZINC000053334402 521405183 /nfs/dbraw/zinc/40/51/83/521405183.db2.gz IEUOWWOMLMOYCI-INIZCTEOSA-N 0 0 260.381 3.298 10 30 CGEERN Cc1cnc([C@H](C)NC(=O)N[C@H]2CC23CCCCC3)o1 ZINC000329259659 534629859 /nfs/dbraw/zinc/62/98/59/534629859.db2.gz YRQKHGSUKLLJMA-RYUDHWBXSA-N 0 0 277.368 3.270 10 30 CGEERN Cc1cnc([C@H](C)NC(=O)c2ccc3c(c2)COC3)o1 ZINC000329427247 534630949 /nfs/dbraw/zinc/63/09/49/534630949.db2.gz JBXSQHLUCQBBBF-JTQLQIEISA-N 0 0 272.304 3.079 10 30 CGEERN CC[C@@H](NCc1cccnc1C#N)c1ccccc1 ZINC000061658803 522884342 /nfs/dbraw/zinc/88/43/42/522884342.db2.gz HHJFIQMSSCMGRM-OAHLLOKOSA-N 0 0 251.333 3.194 10 30 CGEERN CN(Cc1cccnc1Cl)c1cccc(C#N)c1 ZINC000061803637 523421153 /nfs/dbraw/zinc/42/11/53/523421153.db2.gz FJOQVEJLDGKBPH-UHFFFAOYSA-N 0 0 257.724 3.243 10 30 CGEERN C=CCN(CCc1ccccc1)C(=O)[C@@H]1CCCO[C@H]1C ZINC000190446447 534838328 /nfs/dbraw/zinc/83/83/28/534838328.db2.gz PHDOEPHXEIVQQH-DOTOQJQBSA-N 0 0 287.403 3.059 10 30 CGEERN C[C@H](CC#N)C(=O)c1ccccc1OC(F)(F)F ZINC000048259015 526217445 /nfs/dbraw/zinc/21/74/45/526217445.db2.gz JLPDXWJDPGOQDA-MRVPVSSYSA-N 0 0 257.211 3.318 10 30 CGEERN N#C[C@@H](C(=O)c1cccnc1)c1ccc(F)cc1Cl ZINC000062610669 526492348 /nfs/dbraw/zinc/49/23/48/526492348.db2.gz DSXAZTPSXXBUNB-GFCCVEGCSA-N 0 0 274.682 3.364 10 30 CGEERN N#C[C@@H]1CCCC[C@H]1NCc1ccc(F)cc1F ZINC000054829057 526499839 /nfs/dbraw/zinc/49/98/39/526499839.db2.gz WPLGIWBOMKTRNY-IINYFYTJSA-N 0 0 250.292 3.137 10 30 CGEERN CC(C)c1nc([C@@H]2CCCN2CC2(C#N)CCC2)no1 ZINC000333514283 528308139 /nfs/dbraw/zinc/30/81/39/528308139.db2.gz FVHLOGWHWNEVQY-LBPRGKRZSA-N 0 0 274.368 3.024 10 30 CGEERN CCN(CCC#N)c1nccc(Oc2ccc(F)cc2)n1 ZINC000301500277 528397975 /nfs/dbraw/zinc/39/79/75/528397975.db2.gz WQULLHWAFOIZOB-UHFFFAOYSA-N 0 0 286.310 3.148 10 30 CGEERN CC(C)[C@@H]1N(C(=O)N[C@@H]2CCC[C@H]2C#N)CC12CCC2 ZINC000330198602 528804303 /nfs/dbraw/zinc/80/43/03/528804303.db2.gz UIAIUMCQGUYGJG-MJBXVCDLSA-N 0 0 275.396 3.103 10 30 CGEERN CC[C@H](C)C(=O)SCC[C@@H](S)CCCCC(N)=O ZINC000016343185 571739588 /nfs/dbraw/zinc/73/95/88/571739588.db2.gz UFNCWFSSEGPJNL-QWRGUYRKSA-N 0 0 291.482 3.027 10 30 endogenous,in-man CGEERN Cc1cc(C(=O)N[C@H](C)C#N)c(C)n1-c1cc(C)cc(C)c1 ZINC000176222012 618434207 /nfs/dbraw/zinc/43/42/07/618434207.db2.gz UUVVISMJZMXECS-CYBMUJFWSA-N 0 0 295.386 3.353 10 30 CGEERN C#C[C@@H](C)NC(=O)N[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000186019175 625504297 /nfs/dbraw/zinc/50/42/97/625504297.db2.gz DBMZLDBSMWMZSK-KGLIPLIRSA-N 0 0 288.391 3.103 10 30 CGEERN Cc1cc(C#N)ccc1COc1cccc([C@H](C)O)c1 ZINC000166038730 622872430 /nfs/dbraw/zinc/87/24/30/622872430.db2.gz DMVWVEINTIUGDG-ZDUSSCGKSA-N 0 0 267.328 3.499 10 30 CGEERN C[C@H](O)c1nc2ccccc2n1Cc1ccc(C#N)cc1 ZINC000076080662 625038776 /nfs/dbraw/zinc/03/87/76/625038776.db2.gz YOSLQIBCYBVUKU-LBPRGKRZSA-N 0 0 277.327 3.010 10 30 CGEERN CCO[C@@H]1C[C@@H](OC(=O)c2cccc(C#N)c2)C12CCCC2 ZINC000119717958 629697325 /nfs/dbraw/zinc/69/73/25/629697325.db2.gz WQUUILHQXHMQNX-HZPDHXFCSA-N 0 0 299.370 3.453 10 30 CGEERN C#CCCCCC(=O)N(C)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000120198110 629893529 /nfs/dbraw/zinc/89/35/29/629893529.db2.gz PUMXVSSDXIPKID-HZPDHXFCSA-N 0 0 291.435 3.376 10 30 CGEERN C[C@@H](S)C[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000757162234 630587442 /nfs/dbraw/zinc/58/74/42/630587442.db2.gz CKWJMWGGSWDHBS-GHMZBOCLSA-N 0 0 259.415 3.484 10 30 CGEERN CC(=O)[C@@H]1CCCN(c2ccc(C#N)c(Cl)c2)C1 ZINC000104415838 638032895 /nfs/dbraw/zinc/03/28/95/638032895.db2.gz KVKMCVBDXSUJGR-GFCCVEGCSA-N 0 0 262.740 3.017 10 30 CGEERN CC[C@@H](Cc1ccccc1)OC(=O)c1cc(C#N)cn1C ZINC000083769953 640600045 /nfs/dbraw/zinc/60/00/45/640600045.db2.gz FAFBQIWXCIBJLN-HNNXBMFYSA-N 0 0 282.343 3.075 10 30 CGEERN C=CCC[C@H](C)OC(=O)[C@@H](NC(=O)CC(C)C)C(C)C ZINC000089317897 640638972 /nfs/dbraw/zinc/63/89/72/640638972.db2.gz OUNBHRGVOWLFOR-ZFWWWQNUSA-N 0 0 283.412 3.071 10 30 CGEERN CCN(CC)c1ccc(/C=C\C(=O)c2cnn(C)c2)cc1 ZINC000096569086 640833027 /nfs/dbraw/zinc/83/30/27/640833027.db2.gz PWDQVDDAJNYBAO-FLIBITNWSA-N 0 0 283.375 3.162 10 30 CGEERN CCn1cc(/C=C\C(=O)c2ccc(F)cc2)c(C)n1 ZINC000096577652 640833801 /nfs/dbraw/zinc/83/38/01/640833801.db2.gz PYALNQBRKMDTTR-TWGQIWQCSA-N 0 0 258.296 3.247 10 30 CGEERN CC12C[C@H]3C[C@@H](C1)CC(C(=O)N[C@H]1CCC[C@H]1C#N)(C3)C2 ZINC000252797066 640863397 /nfs/dbraw/zinc/86/33/97/640863397.db2.gz IPPLOHYTERIMCV-XUJKWMDPSA-N 0 0 286.419 3.401 10 30 CGEERN COc1ccc(O)cc1C(=O)/C=C\c1ccccc1 ZINC000588410403 799689766 /nfs/dbraw/zinc/68/97/66/799689766.db2.gz UPIFFPNBZNIXOK-CLFYSBASSA-N 0 0 254.285 3.297 10 30 CGEERN Cn1ncc2c1CC/C(=C\c1cccc3cnccc13)C2=O ZINC000588423112 799692303 /nfs/dbraw/zinc/69/23/03/799692303.db2.gz BNBMFWQXDHYLBV-UKTHLTGXSA-N 0 0 289.338 3.181 10 30 CGEERN CCCCCCCCOC(=O)/C=C\c1ccncn1 ZINC000588443935 799694918 /nfs/dbraw/zinc/69/49/18/799694918.db2.gz PLPIXSPCFFFHLC-HJWRWDBZSA-N 0 0 262.353 3.394 10 30 CGEERN O=C(/C=C\c1cocn1)c1cc(Br)ccc1F ZINC000588580144 799717064 /nfs/dbraw/zinc/71/70/64/799717064.db2.gz VKQSUSUZRPUJHY-RQOWECAXSA-N 0 0 296.095 3.472 10 30 CGEERN C=CC[C@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2F)C1 ZINC000703674304 977176196 /nfs/dbraw/zinc/17/61/96/977176196.db2.gz NNOLVPJGYJIODV-LBPRGKRZSA-N 0 0 277.339 3.312 10 30 CGEERN CCOC(=O)c1ccc(/N=C/c2ccccn2)cc1 ZINC000000067811 344854543 /nfs/dbraw/zinc/85/45/43/344854543.db2.gz DJZNYLZKWBSXRM-GZTJUZNOSA-N 0 0 254.289 3.009 10 30 CGEERN Cc1ccc(S(=O)(=O)OCCCC(F)(F)F)cc1 ZINC000034108625 344937707 /nfs/dbraw/zinc/93/77/07/344937707.db2.gz GCDCOBYBHQJKDU-UHFFFAOYSA-N 0 0 282.283 3.043 10 30 CGEERN N#C[C@H]1CCCn2c(C(=O)c3ccccc3)ccc21 ZINC000034069304 344936976 /nfs/dbraw/zinc/93/69/76/344936976.db2.gz HCQRZUGFAPYFQY-CYBMUJFWSA-N 0 0 250.301 3.120 10 30 CGEERN O=C(CCCc1ccccc1)N(O)Cc1ccccc1 ZINC000029487793 344917717 /nfs/dbraw/zinc/91/77/17/344917717.db2.gz DVJSQECECAURST-UHFFFAOYSA-N 0 0 269.344 3.427 10 30 CGEERN N#CC1(Nc2ccccc2Br)CCC1 ZINC000037938570 344954219 /nfs/dbraw/zinc/95/42/19/344954219.db2.gz WVPOGCMVTXABKN-UHFFFAOYSA-N 0 0 251.127 3.307 10 30 CGEERN N#Cc1cc([N+](=O)[O-])ccc1-c1ccc([N+](=O)[O-])cc1 ZINC000039001513 344957335 /nfs/dbraw/zinc/95/73/35/344957335.db2.gz DSOFWZMVTRJXES-UHFFFAOYSA-N 0 0 269.216 3.042 10 30 CGEERN COc1cc2c(cc1OC)[C@@H](c1ccc(C#N)cc1)OCC2 ZINC000039025449 344957341 /nfs/dbraw/zinc/95/73/41/344957341.db2.gz ATRRCCUUCUHVDI-GOSISDBHSA-N 0 0 295.338 3.238 10 30 CGEERN CSc1ccc([C@H](O)C#Cc2ccccc2)cc1 ZINC000034485976 344939455 /nfs/dbraw/zinc/93/94/55/344939455.db2.gz XZBOBYWYKQNWBM-MRXNPFEDSA-N 0 0 254.354 3.494 10 30 CGEERN CCCN[C@H](C#N)c1cc(Br)ccc1F ZINC000034939509 344941169 /nfs/dbraw/zinc/94/11/69/344941169.db2.gz GJRMVKUOZJXACB-LLVKDONJSA-N 0 0 271.133 3.152 10 30 CGEERN C[C@H](C#N)Nc1cc(Br)ccc1Cl ZINC000061691129 345230993 /nfs/dbraw/zinc/23/09/93/345230993.db2.gz ADGUGWHYWGAVQF-ZCFIWIBFSA-N 0 0 259.534 3.426 10 30 CGEERN C=CCC[C@@H](O)CCCc1cc(F)ccc1OC ZINC000059242693 345206394 /nfs/dbraw/zinc/20/63/94/345206394.db2.gz FFBBRGORNUZOIW-CQSZACIVSA-N 0 0 252.329 3.484 10 30 CGEERN C[C@H]1OCC[C@@H]1Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000147814842 232202251 /nfs/dbraw/zinc/20/22/51/232202251.db2.gz PMPAZTMJEXVAEO-PELKAZGASA-N 0 0 270.254 3.166 10 30 CGEERN Cn1nc(C(F)(F)C(F)(F)F)c(C(F)(F)F)c1F ZINC000141702499 346109249 /nfs/dbraw/zinc/10/92/49/346109249.db2.gz WLZXOARVJYAXQK-UHFFFAOYSA-N 0 0 286.097 3.232 10 30 CGEERN CNc1c(C#N)c(-c2ccccc2C)ccc1[N+](=O)[O-] ZINC000145069547 346119693 /nfs/dbraw/zinc/11/96/93/346119693.db2.gz KCGVVFDHOGXYGX-UHFFFAOYSA-N 0 0 267.288 3.484 10 30 CGEERN CC(C)[C@@](C)(C#N)c1ccc(-c2cnc(N)nc2)cc1 ZINC000146470649 346123744 /nfs/dbraw/zinc/12/37/44/346123744.db2.gz DGZHYJXGAIVMHB-MRXNPFEDSA-N 0 0 266.348 3.163 10 30 CGEERN C#CC(=O)c1cc(Br)ccc1Br ZINC000168762284 346191349 /nfs/dbraw/zinc/19/13/49/346191349.db2.gz XEKDZVMPPVLUNX-UHFFFAOYSA-N 0 0 287.938 3.028 10 30 CGEERN N#C[C@H](c1sccc1Br)N1CCCC1 ZINC000228015219 346312553 /nfs/dbraw/zinc/31/25/53/346312553.db2.gz NGYGLGARWQJUQV-SECBINFHSA-N 0 0 271.183 3.171 10 30 CGEERN N#CCc1cc(Cl)ccc1I ZINC000238594699 346350468 /nfs/dbraw/zinc/35/04/68/346350468.db2.gz NJZMPGYZDPEFIQ-UHFFFAOYSA-N 0 0 277.492 3.011 10 30 CGEERN C#CCCC(=O)Nc1cccc(Cl)c1Br ZINC000236051846 346339289 /nfs/dbraw/zinc/33/92/89/346339289.db2.gz UUXCVQXPWNAMAZ-UHFFFAOYSA-N 0 0 286.556 3.454 10 30 CGEERN N#CC(F)(F)c1ccc(F)cc1Br ZINC000307401682 346462041 /nfs/dbraw/zinc/46/20/41/346462041.db2.gz ANGACYWQFHKZNI-UHFFFAOYSA-N 0 0 250.017 3.204 10 30 CGEERN C#CCCNc1c(F)ccc(C)c1Br ZINC000307634152 346464333 /nfs/dbraw/zinc/46/43/33/346464333.db2.gz SFXGVJGAJMSIGN-UHFFFAOYSA-N 0 0 256.118 3.332 10 30 CGEERN CC(C)(C)OC(=O)NOC(=O)[C@@H]1CCCc2ccccc21 ZINC000309966328 346470838 /nfs/dbraw/zinc/47/08/38/346470838.db2.gz LCOYQNWZORLNIN-CYBMUJFWSA-N 0 0 291.347 3.089 10 30 CGEERN N#C[C@@H](c1cc(F)cc(F)c1)[C@H](CCO)c1cncs1 ZINC000584639294 346702366 /nfs/dbraw/zinc/70/23/66/346702366.db2.gz MERULVMTIVWZPZ-STQMWFEESA-N 0 0 294.326 3.195 10 30 CGEERN N#Cc1csc(/C=C2/OC(=O)c3ccccc32)c1 ZINC000584654642 346705279 /nfs/dbraw/zinc/70/52/79/346705279.db2.gz KNBWKJFGLIYMEQ-AWNIVKPZSA-N 0 0 253.282 3.288 10 30 CGEERN COc1ccc2c(c1)[C@@H](C=O)c1ccc(OC)c(OC)c1-2 ZINC000584590405 346685834 /nfs/dbraw/zinc/68/58/34/346685834.db2.gz GTSFXJLBBPRTJS-AWEZNQCLSA-N 0 0 284.311 3.024 10 30 CGEERN CCOC(=O)C[C@H]1CCC[C@@H](CCC#N)/C1=C\OC ZINC000584600676 346689219 /nfs/dbraw/zinc/68/92/19/346689219.db2.gz UHMNQWISVSSBTD-OLUBVHAASA-N 0 0 265.353 3.190 10 30 CGEERN N#CCCCOc1cccc2c(=O)c3ccccc3[nH]c12 ZINC000584600262 346689221 /nfs/dbraw/zinc/68/92/21/346689221.db2.gz UPMYRSCEXKPNFF-UHFFFAOYSA-N 0 0 278.311 3.364 10 30 CGEERN C[C@H](C#CBr)COCc1ccccc1 ZINC000584610362 346691914 /nfs/dbraw/zinc/69/19/14/346691914.db2.gz DOYISRMSVIQQEP-LLVKDONJSA-N 0 0 253.139 3.195 10 30 CGEERN O=C1C=C[C@H](O)O[C@@H]1c1ccc2oc3ccccc3c2c1 ZINC000584625559 346697069 /nfs/dbraw/zinc/69/70/69/346697069.db2.gz KDPBPVOBQGJOBS-IAGOWNOFSA-N 0 0 280.279 3.101 10 30 CGEERN CC1=Nc2cc([N+](=O)[O-])ccc2O[C@H]1CC(C)(C)C#N ZINC000584626367 346697385 /nfs/dbraw/zinc/69/73/85/346697385.db2.gz MBHLNGAMLMUKQT-ZDUSSCGKSA-N 0 0 273.292 3.388 10 30 CGEERN C=CC[C@@](Cc1cccs1)(C(C)=O)C(=O)OCC ZINC000584630286 346698416 /nfs/dbraw/zinc/69/84/16/346698416.db2.gz TWVKXELNAYREJG-CQSZACIVSA-N 0 0 266.362 3.005 10 30 CGEERN CCCCC/C=C\C/C=C\CCOS(C)(=O)=O ZINC000584631383 346699225 /nfs/dbraw/zinc/69/92/25/346699225.db2.gz RXVSKXOVNSITNW-NQLNTKRDSA-N 0 0 260.399 3.436 10 30 CGEERN C=C[C@](O)(c1ccncc1)c1ccc(OC(C)C)cc1 ZINC000584637299 346701031 /nfs/dbraw/zinc/70/10/31/346701031.db2.gz PJRQVKGUENMFQD-QGZVFWFLSA-N 0 0 269.344 3.291 10 30 CGEERN N#Cc1c(Br)cccc1N[C@H]1CCC[C@@H](O)C1 ZINC000589561968 346800467 /nfs/dbraw/zinc/80/04/67/346800467.db2.gz QFJSVJFZJNOEEQ-VHSXEESVSA-N 0 0 295.180 3.036 10 30 CGEERN N#C[C@@H]1CCCC[C@@H]1NCc1ccncc1Br ZINC000599466041 347747104 /nfs/dbraw/zinc/74/71/04/347747104.db2.gz YOQOJRCKJTZXNK-GWCFXTLKSA-N 0 0 294.196 3.016 10 30 CGEERN CC[C@H](CC(=O)N[C@H]1CCC[C@@H]1C#N)C(C)(C)C ZINC000601273716 347887471 /nfs/dbraw/zinc/88/74/71/347887471.db2.gz MRNQVYQBEDFQGM-UPJWGTAASA-N 0 0 250.386 3.257 10 30 CGEERN Cc1ccc(CCC(=O)N[C@@H]2CCC[C@H]2C#N)cc1Cl ZINC000610497144 348385172 /nfs/dbraw/zinc/38/51/72/348385172.db2.gz QFZLOMSOYVLATF-DZGCQCFKSA-N 0 0 290.794 3.390 10 30 CGEERN N#Cc1cc(C(F)(F)F)ccc1N[C@@H]1CCC[C@H](O)C1 ZINC000610715055 348398240 /nfs/dbraw/zinc/39/82/40/348398240.db2.gz JRLNJEGTSHJGNC-NEPJUHHUSA-N 0 0 284.281 3.292 10 30 CGEERN C[C@H]1CCC[C@H](C)C1(CC=O)NC(=O)OC(C)(C)C ZINC000616568535 348833802 /nfs/dbraw/zinc/83/38/02/348833802.db2.gz KBAITJOQTFJPLD-RYUDHWBXSA-N 0 0 269.385 3.295 10 30 CGEERN O[C@H](CC#Cc1ccc(Br)cc1)C(F)(F)F ZINC000616581520 348835475 /nfs/dbraw/zinc/83/54/75/348835475.db2.gz XIQPCQJZELQXHV-SNVBAGLBSA-N 0 0 293.082 3.114 10 30 CGEERN CCC(CC)[C@@H](C)NC(=O)C1(C#N)CCCCC1 ZINC000104431842 186000574 /nfs/dbraw/zinc/00/05/74/186000574.db2.gz MUNSUPYOQDXRMN-GFCCVEGCSA-N 0 0 250.386 3.401 10 30 CGEERN CCn1cc(C#N)c2ccc(Oc3cnccn3)cc21 ZINC000090568201 180008001 /nfs/dbraw/zinc/00/80/01/180008001.db2.gz GGSBXXYFGVAKHD-UHFFFAOYSA-N 0 0 264.288 3.115 10 30 CGEERN C[C@@H]1CCN(C(=O)NCc2ccc(C#N)cc2)C[C@@H](C)C1 ZINC000121519726 138367587 /nfs/dbraw/zinc/36/75/87/138367587.db2.gz VPOYMYKPQCBVKU-KGLIPLIRSA-N 0 0 285.391 3.136 10 30 CGEERN CCS[C@H]1CC[C@]1(O)CNc1c(Cl)cccc1C#N ZINC000301503442 138578322 /nfs/dbraw/zinc/57/83/22/138578322.db2.gz YNDVPURJMIUDQA-JSGCOSHPSA-N 0 0 296.823 3.270 10 30 CGEERN N#Cc1nc(Nc2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000302685402 138578928 /nfs/dbraw/zinc/57/89/28/138578928.db2.gz AWNUOOAAQHFXQZ-UHFFFAOYSA-N 0 0 274.667 3.258 10 30 CGEERN C=CC[C@H](C)NC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000176861452 189011868 /nfs/dbraw/zinc/01/18/68/189011868.db2.gz ZORYILJFZMNWHG-UONOGXRCSA-N 0 0 298.390 3.197 10 30 CGEERN CCc1sc([C@H](C)Nc2nccnc2C#N)cc1C ZINC000301787297 201198043 /nfs/dbraw/zinc/19/80/43/201198043.db2.gz WWLUCTHPSQPAMQ-JTQLQIEISA-N 0 0 272.377 3.454 10 30 CGEERN Cc1nc(CNc2ccc(Cl)c(C#N)n2)c(C)s1 ZINC000301823552 201218070 /nfs/dbraw/zinc/21/80/70/201218070.db2.gz CNVMPDBEYKBYBI-UHFFFAOYSA-N 0 0 278.768 3.292 10 30 CGEERN N#CC(C#N)=NNc1c(Cl)cc(Cl)cc1Cl ZINC000003042854 368489583 /nfs/dbraw/zinc/48/95/83/368489583.db2.gz FACSZFSWIFLGOW-UHFFFAOYSA-N 0 0 273.510 3.462 10 30 CGEERN CC(=NNc1cccc([N+](=O)[O-])c1)c1cc(F)ccc1O ZINC000013122303 368643949 /nfs/dbraw/zinc/64/39/49/368643949.db2.gz XCLSZWBRPIGUBP-CXUHLZMHSA-N 0 0 289.266 3.276 10 30 CGEERN C[C@@](C#N)(Cc1ccc(O)cc1)c1ccc(O)cc1 ZINC000013470335 368654472 /nfs/dbraw/zinc/65/44/72/368654472.db2.gz GWZQYZICYXDPFF-INIZCTEOSA-N 0 0 253.301 3.122 10 30 CGEERN CC(N=NC(N)=S)c1ccc(Nc2ccccc2)cc1 ZINC000013580128 368657991 /nfs/dbraw/zinc/65/79/91/368657991.db2.gz UYRRWIXEEYODEH-WOJGMQOQSA-N 0 0 284.388 3.399 10 30 CGEERN CC(=NNc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000033387325 368964261 /nfs/dbraw/zinc/96/42/61/368964261.db2.gz VXRMHXXWRBMDFK-PTNGSMBKSA-N 0 0 255.277 3.431 10 30 CGEERN C=CCOc1ccc2cc(C(=O)OC)ccc2c1C=O ZINC000038273582 369146575 /nfs/dbraw/zinc/14/65/75/369146575.db2.gz KXEPTHWVTNNVJZ-UHFFFAOYSA-N 0 0 270.284 3.004 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NCc1ccc(Br)cc1 ZINC000054824366 369507367 /nfs/dbraw/zinc/50/73/67/369507367.db2.gz HYQYUKNMTHXDIK-YPMHNXCESA-N 0 0 279.181 3.231 10 30 CGEERN Cc1ccc2oc(C(=O)N[C@H]3CCC[C@@H]3C#N)cc2c1 ZINC000061888260 369609814 /nfs/dbraw/zinc/60/98/14/369609814.db2.gz VCXPPZIAJCHZLV-YPMHNXCESA-N 0 0 268.316 3.163 10 30 CGEERN COc1cc(CN[C@H]2CCC[C@H]2C#N)ccc1OC(C)C ZINC000061891673 369610741 /nfs/dbraw/zinc/61/07/41/369610741.db2.gz WHPKCHRPZBEFRM-GJZGRUSLSA-N 0 0 288.391 3.264 10 30 CGEERN COc1cc(CN[C@H]2CCC[C@@H]2C#N)ccc1OC(C)C ZINC000061891671 369610967 /nfs/dbraw/zinc/61/09/67/369610967.db2.gz WHPKCHRPZBEFRM-CABCVRRESA-N 0 0 288.391 3.264 10 30 CGEERN C=CCOc1ccccc1CN[C@@H]1CCC[C@@H]1C#N ZINC000061892110 369611076 /nfs/dbraw/zinc/61/10/76/369611076.db2.gz OYSQNHATSMHKKR-UKRRQHHQSA-N 0 0 256.349 3.033 10 30 CGEERN CC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1 ZINC000073281716 369855696 /nfs/dbraw/zinc/85/56/96/369855696.db2.gz HMVKGJOHYRCQRV-GDNBJRDFSA-N 0 0 271.276 3.137 10 30 CGEERN CC(C)(C)OC(=O)N1C[C@H](C#N)Cc2ccccc21 ZINC000084799474 370015343 /nfs/dbraw/zinc/01/53/43/370015343.db2.gz WGCWMPNQGRRYPS-NSHDSACASA-N 0 0 258.321 3.124 10 30 CGEERN CC(C)Oc1cc2ncc(C#N)c(Cl)c2cc1[N+](=O)[O-] ZINC000090568235 370062155 /nfs/dbraw/zinc/06/21/55/370062155.db2.gz YYTBPNXBRRHQBI-UHFFFAOYSA-N 0 0 291.694 3.455 10 30 CGEERN CCN(C[C@@H](C)C#N)[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000101727977 370294952 /nfs/dbraw/zinc/29/49/52/370294952.db2.gz FTAAEYGMOQHXLG-STQMWFEESA-N 0 0 284.363 3.279 10 30 CGEERN Cc1ccc(CCCC(=O)Nc2ccc(C#N)cn2)cc1 ZINC000103926727 370334644 /nfs/dbraw/zinc/33/46/44/370334644.db2.gz WAEHZYYMTHOCGM-UHFFFAOYSA-N 0 0 279.343 3.223 10 30 CGEERN CC(C)COCCNc1cc(Cl)ccc1C#N ZINC000134825448 371366670 /nfs/dbraw/zinc/36/66/70/371366670.db2.gz MXLBHPOIVJBNGP-UHFFFAOYSA-N 0 0 252.745 3.296 10 30 CGEERN Cc1cc(C(=O)N[C@H]2CCC[C@H]2C#N)ccc1Cl ZINC000135026128 371384884 /nfs/dbraw/zinc/38/48/84/371384884.db2.gz CDBWYUVKHDPEBF-AAEUAGOBSA-N 0 0 262.740 3.071 10 30 CGEERN CC[C@H](C#N)C(=O)c1cccc(F)c1Br ZINC000155863020 371949583 /nfs/dbraw/zinc/94/95/83/371949583.db2.gz GKHRUOKHUCQGDL-SSDOTTSWSA-N 0 0 270.101 3.321 10 30 CGEERN C[C@H]1CN(CC#Cc2cccc(Cl)c2)CCS1 ZINC000159844547 372187120 /nfs/dbraw/zinc/18/71/20/372187120.db2.gz AAXUZUKVXJFLFH-LBPRGKRZSA-N 0 0 265.809 3.129 10 30 CGEERN CCC[C@H](O)CNc1cc(C#N)c2cc(Cl)ccc2n1 ZINC000301291863 373733063 /nfs/dbraw/zinc/73/30/63/373733063.db2.gz UXVFRBMLVRWNKN-LBPRGKRZSA-N 0 0 289.766 3.333 10 30 CGEERN C=CCC[C@@H](NCc1nnnn1C(C)C)c1ccccc1 ZINC000180050259 373959151 /nfs/dbraw/zinc/95/91/51/373959151.db2.gz WSWNWCRLTSRFOA-OAHLLOKOSA-N 0 0 285.395 3.051 10 30 CGEERN Cc1ccc(CN(C)c2ccc(C#N)cn2)cc1F ZINC000302644296 373913384 /nfs/dbraw/zinc/91/33/84/373913384.db2.gz AFTNNPIJSIDCNQ-UHFFFAOYSA-N 0 0 255.296 3.037 10 30 CGEERN N#Cc1nc(Sc2ccccc2)ccc1[N+](=O)[O-] ZINC000302698765 373931664 /nfs/dbraw/zinc/93/16/64/373931664.db2.gz FDUNWGNYNJBBMT-UHFFFAOYSA-N 0 0 257.274 3.013 10 30 CGEERN CC(C)(C)[C@H](O)COc1cc(Br)ccc1C#N ZINC000307935818 374154522 /nfs/dbraw/zinc/15/45/22/374154522.db2.gz OGKIFVWRTGCMEK-GFCCVEGCSA-N 0 0 298.180 3.107 10 30 CGEERN O=C(C[C@@H]1CCCCC(=O)N1)NCC[C@H]1CCCCO1 ZINC000328680841 374376122 /nfs/dbraw/zinc/37/61/22/374376122.db2.gz USXDQIGIBXDEJD-QWHCGFSZSA-N 0 0 282.384 3.191 10 30 CGEERN CC[C@H](NC(=O)C[C@@H]1CCCCNC1=O)[C@@H]1CCCO1 ZINC000329570597 374409579 /nfs/dbraw/zinc/40/95/79/374409579.db2.gz UOFRCJVFVQYFFD-AVGNSLFASA-N 0 0 282.384 3.047 10 30 CGEERN C[C@@H]1CCCC[C@@H]1Nc1cnn(-c2ncccc2C#N)c1 ZINC000186015402 374784447 /nfs/dbraw/zinc/78/44/47/374784447.db2.gz JXARFVQAANSHBS-DOMZBBRYSA-N 0 0 281.363 3.130 10 30 CGEERN C#CCCCC(=O)N1C[C@H](c2ccccc2)OCC1(C)C ZINC000192260450 375720743 /nfs/dbraw/zinc/72/07/43/375720743.db2.gz GDWUKHJKBFMYTB-MRXNPFEDSA-N 0 0 285.387 3.169 10 30 CGEERN CC(C)(C)c1ncc(CNc2ccccc2C#N)cn1 ZINC000336829388 375989143 /nfs/dbraw/zinc/98/91/43/375989143.db2.gz HIFHLAXXTKMQMN-UHFFFAOYSA-N 0 0 266.348 3.258 10 30 CGEERN O=C(C1=C(c2ccccc2)C(=O)N=N1)c1ccccc1 ZINC000211837950 376135592 /nfs/dbraw/zinc/13/55/92/376135592.db2.gz XQRCBDBENJNVQH-UHFFFAOYSA-N 0 0 262.268 3.273 10 30 CGEERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)N[C@H](C#N)C1CCCCC1 ZINC000248342074 377291269 /nfs/dbraw/zinc/29/12/69/377291269.db2.gz JHRQHIWLNJSKFV-VMGRFDJRSA-N 0 0 298.386 3.140 10 30 CGEERN CCOC(=O)c1c(O)c(C#N)ccc1SC(F)(F)F ZINC000575392235 377900008 /nfs/dbraw/zinc/90/00/08/377900008.db2.gz OWJDJZJJOUOHFU-UHFFFAOYSA-N 0 0 291.250 3.052 10 30 CGEERN CCOC(=O)Cc1c(CC)ccc(C#N)c1C(F)(F)F ZINC000575390149 377898488 /nfs/dbraw/zinc/89/84/88/377898488.db2.gz WPMNDTHSEPYXCU-UHFFFAOYSA-N 0 0 285.265 3.245 10 30 CGEERN CCOC(=O)c1cc(Cl)c(C#N)c(C(F)(F)F)c1 ZINC000575383319 377893792 /nfs/dbraw/zinc/89/37/92/377893792.db2.gz PDYULBFCQYDTOY-UHFFFAOYSA-N 0 0 277.629 3.407 10 30 CGEERN CCOC(=O)c1ccc(C#N)c(C(F)F)c1OC(F)F ZINC000575385429 377895032 /nfs/dbraw/zinc/89/50/32/377895032.db2.gz QFYORRJRCCNYAI-UHFFFAOYSA-N 0 0 291.200 3.274 10 30 CGEERN COC(=O)c1c(C#N)ccc(C(F)F)c1OC(F)(F)F ZINC000575387309 377895974 /nfs/dbraw/zinc/89/59/74/377895974.db2.gz IYEMOODQJJZZDU-UHFFFAOYSA-N 0 0 295.163 3.181 10 30 CGEERN CCOC(=O)Cc1cc(CC)cc(C#N)c1C(F)(F)F ZINC000575389214 377896007 /nfs/dbraw/zinc/89/60/07/377896007.db2.gz CHMHJTIYLKSLPI-UHFFFAOYSA-N 0 0 285.265 3.245 10 30 CGEERN CCOC(=O)Cc1ccc(C(F)(F)F)c(C#N)c1CC ZINC000575389288 377896511 /nfs/dbraw/zinc/89/65/11/377896511.db2.gz FGFSLOFLIOBVAV-UHFFFAOYSA-N 0 0 285.265 3.245 10 30 CGEERN CC(C)(C)OC(=O)N[C@]1(C#N)CCCCC1(C)C ZINC000575497296 377916329 /nfs/dbraw/zinc/91/63/29/377916329.db2.gz UFWUPRXMJSRAAB-AWEZNQCLSA-N 0 0 252.358 3.374 10 30 CGEERN CCOc1cc(CC#N)c(CC)c(OC(F)F)c1 ZINC000575657433 377933324 /nfs/dbraw/zinc/93/33/24/377933324.db2.gz WGALKXVCAKSNRP-UHFFFAOYSA-N 0 0 255.264 3.315 10 30 CGEERN COc1c(Cl)ccc(CC#N)c1Br ZINC000575674146 377949591 /nfs/dbraw/zinc/94/95/91/377949591.db2.gz MNTKVINWRFLKSA-UHFFFAOYSA-N 0 0 260.518 3.177 10 30 CGEERN N#CCc1cc(Cl)c(Br)c([N+](=O)[O-])c1 ZINC000575676306 377951806 /nfs/dbraw/zinc/95/18/06/377951806.db2.gz DGLZHOHRVLUAOU-UHFFFAOYSA-N 0 0 275.489 3.077 10 30 CGEERN CCOC(=O)c1c(C)cc(C(F)(F)F)cc1C#N ZINC000575394684 377902261 /nfs/dbraw/zinc/90/22/61/377902261.db2.gz KSSDLRALYRIHMT-UHFFFAOYSA-N 0 0 257.211 3.062 10 30 CGEERN COC(=O)c1c(C)c(SC(F)(F)F)ccc1C#N ZINC000575395317 377902336 /nfs/dbraw/zinc/90/23/36/377902336.db2.gz XVZLLVPJBMHVQX-UHFFFAOYSA-N 0 0 275.251 3.265 10 30 CGEERN Nc1c(F)ccc(C(F)(F)F)c1OC(F)(F)F ZINC000575397383 377904838 /nfs/dbraw/zinc/90/48/38/377904838.db2.gz SZDNIWRIUDVZSD-UHFFFAOYSA-N 0 0 263.112 3.325 10 30 CGEERN N#CCc1cc(O)cc(Br)c1C(F)F ZINC000575685025 377960146 /nfs/dbraw/zinc/96/01/46/377960146.db2.gz ISKCQKOKSYUFBX-UHFFFAOYSA-N 0 0 262.053 3.158 10 30 CGEERN N#CCc1c(C(F)F)cc(Br)cc1[N+](=O)[O-] ZINC000575684919 377960173 /nfs/dbraw/zinc/96/01/73/377960173.db2.gz ICKBIEFMKIIALI-UHFFFAOYSA-N 0 0 291.051 3.361 10 30 CGEERN COc1ccc(Br)c(OC(F)F)c1CC#N ZINC000575685863 377960825 /nfs/dbraw/zinc/96/08/25/377960825.db2.gz XVTSGWQADDLRCK-UHFFFAOYSA-N 0 0 292.079 3.125 10 30 CGEERN N#CCc1cc(Br)cc(O)c1C(F)F ZINC000575685920 377961331 /nfs/dbraw/zinc/96/13/31/377961331.db2.gz NIUPNFWQTOVSRV-UHFFFAOYSA-N 0 0 262.053 3.158 10 30 CGEERN N#Cc1c(F)cc(Br)cc1C(F)(F)F ZINC000575687535 377961948 /nfs/dbraw/zinc/96/19/48/377961948.db2.gz CVOVNGRUZDYRDB-UHFFFAOYSA-N 0 0 268.007 3.479 10 30 CGEERN N#Cc1cc(Cl)cc(C(F)(F)F)c1[N+](=O)[O-] ZINC000575695978 377969396 /nfs/dbraw/zinc/96/93/96/377969396.db2.gz VGVMPDVXXFVZLX-UHFFFAOYSA-N 0 0 250.563 3.139 10 30 CGEERN CSc1ccc(Cl)c(C(=O)N[C@H]2CCC[C@@H]2C#N)c1 ZINC000334639391 532964153 /nfs/dbraw/zinc/96/41/53/532964153.db2.gz DBSKBWVXOFCTHL-RNCFNFMXSA-N 0 0 294.807 3.484 10 30 CGEERN Cc1cnc([C@H](C)NC(=O)[C@@H]2CCCSC2)o1 ZINC000329592382 542447524 /nfs/dbraw/zinc/44/75/24/542447524.db2.gz UIZGTEKWLXVBSJ-VHSXEESVSA-N 0 0 254.355 3.144 10 30 CGEERN Cc1nc([C@H](C)NC(=O)C[C@H]2CCCC(=O)N2)cs1 ZINC000329327978 542445945 /nfs/dbraw/zinc/44/59/45/542445945.db2.gz KEPGGTJJZUQCRQ-WCBMZHEXSA-N 0 0 281.381 3.368 10 30 CGEERN CC1(C)C[C@H]1NC(=O)Nc1scnc1C1CC1 ZINC000328952057 542446173 /nfs/dbraw/zinc/44/61/73/542446173.db2.gz XMMFRPJGUNIXAS-MRVPVSSYSA-N 0 0 251.355 3.145 10 30 CGEERN Cc1cnc([C@H](C)NC(=O)N2CC[C@H](C)C3(CCC3)C2)o1 ZINC000329467305 542446655 /nfs/dbraw/zinc/44/66/55/542446655.db2.gz WNYQLGXSAPMCTF-AAEUAGOBSA-N 0 0 291.395 3.470 10 30 CGEERN Cc1cc(C(=O)Nc2ccc3nn(C(C)C)cc3c2)nn1C ZINC000329760560 542448339 /nfs/dbraw/zinc/44/83/39/542448339.db2.gz QHHXYENVQLACFB-UHFFFAOYSA-N 0 0 297.362 3.295 10 30 CGEERN CC(C)O[C@@H]1C[C@H](NC(=O)[C@@H]2CCCC(=O)N2)C1(C)C ZINC000329808540 542449334 /nfs/dbraw/zinc/44/93/34/542449334.db2.gz LYZRAQPLPGWUHJ-SDDRHHMPSA-N 0 0 282.384 3.044 10 30 CGEERN Cc1ccc2c(c1)[C@H](NC(=O)N[C@H]1CCC[C@@H]1C#N)CCC2 ZINC000332973311 542451444 /nfs/dbraw/zinc/45/14/44/542451444.db2.gz GQDMAOJFOFTRAM-HYVNUMGLSA-N 0 0 297.402 3.364 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000333007496 542451519 /nfs/dbraw/zinc/45/15/19/542451519.db2.gz PIXIMWTZOGSYNK-GWOFURMSSA-N 0 0 294.807 3.313 10 30 CGEERN CC(C)(C)OC(=O)N1CCc2ccc(CC#N)cc21 ZINC000384300875 256846240 /nfs/dbraw/zinc/84/62/40/256846240.db2.gz ITPGWRIRKOWNEO-UHFFFAOYSA-N 0 0 258.321 3.050 10 30 CGEERN C#CCCCC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000192154963 130383150 /nfs/dbraw/zinc/38/31/50/130383150.db2.gz YDZSKPLSRVEDTL-CYBMUJFWSA-N 0 0 283.293 3.080 10 30 CGEERN C=CCNc1c(Br)cncc1Br ZINC000307337328 392649818 /nfs/dbraw/zinc/64/98/18/392649818.db2.gz SXMROEHVMLMXOX-UHFFFAOYSA-N 0 0 291.974 3.205 10 30 CGEERN C=C(C)CN(C)C(=O)N[C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000181900912 392737533 /nfs/dbraw/zinc/73/75/33/392737533.db2.gz HGTOYOLFIPMUGC-XJKSGUPXSA-N 0 0 272.392 3.446 10 30 CGEERN C[C@@H](NC(=O)NC[C@H](C)C#N)c1ccc2ccccc2c1 ZINC000182345174 392744710 /nfs/dbraw/zinc/74/47/10/392744710.db2.gz XNVYSHWGTDMAJO-CHWSQXEVSA-N 0 0 281.359 3.360 10 30 CGEERN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](C)c1ccc(C)o1 ZINC000193285094 392874559 /nfs/dbraw/zinc/87/45/59/392874559.db2.gz FUBOLKJYKFLGOJ-KBPBESRZSA-N 0 0 278.396 3.052 10 30 CGEERN N#CCc1cc(C#N)c(OC(F)F)c(C(F)(F)F)c1 ZINC000575638005 393203367 /nfs/dbraw/zinc/20/33/67/393203367.db2.gz CEQLPUHHULOTRV-UHFFFAOYSA-N 0 0 276.164 3.245 10 30 CGEERN O=C(Nc1cnc2c(c1)CCCC2)[C@H]1CCCCC(=O)N1 ZINC000329906532 296535587 /nfs/dbraw/zinc/53/55/87/296535587.db2.gz SFZFTANCTJMEKZ-CQSZACIVSA-N 0 0 287.363 3.448 10 30 CGEERN O=C(/C=C/c1ccc2c(c1)OCO2)c1ccccc1[N+](=O)[O-] ZINC000005277884 170081984 /nfs/dbraw/zinc/08/19/84/170081984.db2.gz JBPHVKCHXMKECM-FNORWQNLSA-N 0 0 297.266 3.220 10 30 CGEERN O=C(Nc1nccs1)c1ccc(/N=C/c2ccc[nH]2)cc1 ZINC000006240155 170184958 /nfs/dbraw/zinc/18/49/58/170184958.db2.gz KZPLXUQXSUFGRF-VCHYOVAHSA-N 0 0 296.355 3.474 10 30 CGEERN C[C@H]1CCC[C@H](C)N1CC(=O)c1ccc(C#N)cc1 ZINC000009998160 170394390 /nfs/dbraw/zinc/39/43/90/170394390.db2.gz QOUVFMDJMJRGDT-STQMWFEESA-N 0 0 256.349 3.004 10 30 CGEERN O=S(=O)(/N=C(/Cl)c1ccc(F)cc1)c1ccccc1 ZINC000010149207 170398544 /nfs/dbraw/zinc/39/85/44/170398544.db2.gz OBAZKLYFZWRQBF-DTQAZKPQSA-N 0 0 297.738 3.200 10 30 CGEERN N#CC[C@H](Cc1ccc(O)cc1)c1ccc(O)cc1 ZINC000013470332 170552967 /nfs/dbraw/zinc/55/29/67/170552967.db2.gz PSUVUCFAOBYJQU-CQSZACIVSA-N 0 0 253.301 3.338 10 30 CGEERN COc1cc(Nc2ccc(C#N)cn2)c(OC)cc1Cl ZINC000019517266 170823499 /nfs/dbraw/zinc/82/34/99/170823499.db2.gz KJZLWKHHYIFMLW-UHFFFAOYSA-N 0 0 289.722 3.367 10 30 CGEERN CCOc1ccc(OCC)c(Nc2ncccc2C#N)c1 ZINC000019804415 170873739 /nfs/dbraw/zinc/87/37/39/170873739.db2.gz DSGKTQWDYMNCHS-UHFFFAOYSA-N 0 0 283.331 3.494 10 30 CGEERN CC[C@H](C)SCCC(=O)Nc1ccc(C#N)cc1 ZINC000019870194 170901574 /nfs/dbraw/zinc/90/15/74/170901574.db2.gz SBPHCZUMMVDDIZ-NSHDSACASA-N 0 0 262.378 3.419 10 30 CGEERN C[C@H](Nc1ccc(C#N)cc1)c1ccc(O)cc1O ZINC000019951147 170939408 /nfs/dbraw/zinc/93/94/08/170939408.db2.gz GOLWHPUXOYAWBR-JTQLQIEISA-N 0 0 254.289 3.143 10 30 CGEERN N#CCc1ccc(Oc2ccc(C=O)cc2[N+](=O)[O-])cc1 ZINC000020298702 171138329 /nfs/dbraw/zinc/13/83/29/171138329.db2.gz ZNVYCOSYTAKUHT-UHFFFAOYSA-N 0 0 282.255 3.266 10 30 CGEERN C=CCNC(=O)[C@@H](C)Nc1ccc(Cl)c(Cl)c1 ZINC000020313057 171145072 /nfs/dbraw/zinc/14/50/72/171145072.db2.gz OUDWRSYVWWSUBW-MRVPVSSYSA-N 0 0 273.163 3.096 10 30 CGEERN N#CCCCNc1ccc(F)cc1Br ZINC000020430853 171195612 /nfs/dbraw/zinc/19/56/12/171195612.db2.gz IZULSIZREIUEJX-UHFFFAOYSA-N 0 0 257.106 3.304 10 30 CGEERN CC(=O)c1ccc(NC(=O)Nc2ccccc2C#N)cc1 ZINC000020514528 171231946 /nfs/dbraw/zinc/23/19/46/171231946.db2.gz LNWXQTFCXFUZLJ-UHFFFAOYSA-N 0 0 279.299 3.405 10 30 CGEERN COCc1nn(-c2ccccc2Cl)c(Cl)c1C#N ZINC000021948691 171338601 /nfs/dbraw/zinc/33/86/01/171338601.db2.gz CIVJXETWWVQNGA-UHFFFAOYSA-N 0 0 282.130 3.197 10 30 CGEERN N#Cc1cccc(NC(=O)c2ccc(Cl)cc2N)c1 ZINC000022216466 171375869 /nfs/dbraw/zinc/37/58/69/171375869.db2.gz UHHUOHOZIFELFB-UHFFFAOYSA-N 0 0 271.707 3.046 10 30 CGEERN C[C@@H]1CN=C(Nc2ccccc2OC(F)F)S1 ZINC000035295260 172107042 /nfs/dbraw/zinc/10/70/42/172107042.db2.gz DCMCTIIZMYASGG-SSDOTTSWSA-N 0 0 258.293 3.000 10 30 CGEERN C[C@@H](O)c1ccccc1OCc1ccc(C#N)cc1F ZINC000035627077 172306341 /nfs/dbraw/zinc/30/63/41/172306341.db2.gz HPLYSFHUEXHMQD-LLVKDONJSA-N 0 0 271.291 3.330 10 30 CGEERN N#Cc1ccc(NC(=O)c2ccc(N)cc2)cc1Cl ZINC000037393102 173173457 /nfs/dbraw/zinc/17/34/57/173173457.db2.gz DHZSYYTURXOXEF-UHFFFAOYSA-N 0 0 271.707 3.046 10 30 CGEERN Cc1c(Cl)cccc1Nc1ncc(N)cc1C#N ZINC000037758947 173684088 /nfs/dbraw/zinc/68/40/88/173684088.db2.gz JAORCNXYUOYZES-UHFFFAOYSA-N 0 0 258.712 3.241 10 30 CGEERN COc1ccc(N[C@@H](C#N)c2cccc(O)c2)cc1 ZINC000037936552 173876691 /nfs/dbraw/zinc/87/66/91/173876691.db2.gz HDOCHDZUCPHVEZ-HNNXBMFYSA-N 0 0 254.289 3.078 10 30 CGEERN N#Cc1cccc(Oc2nc(Cl)ccc2[N+](=O)[O-])c1 ZINC000038082178 174091316 /nfs/dbraw/zinc/09/13/16/174091316.db2.gz LAHVOCGMXVRKGV-UHFFFAOYSA-N 0 0 275.651 3.307 10 30 CGEERN COC(=O)/C=N/C(c1ccccc1)c1ccccc1 ZINC000039255864 174167343 /nfs/dbraw/zinc/16/73/43/174167343.db2.gz RAYLELVERLVXCS-SFQUDFHCSA-N 0 0 253.301 3.020 10 30 CGEERN Cc1ccc(C(=O)N[C@@H](C#N)c2ccccc2)cc1C ZINC000040215239 174204313 /nfs/dbraw/zinc/20/43/13/174204313.db2.gz FLXBBLURNUKZOS-INIZCTEOSA-N 0 0 264.328 3.298 10 30 CGEERN CCN(C(=O)C1(C#N)CCCC1)c1ccccc1C ZINC000044764865 175248711 /nfs/dbraw/zinc/24/87/11/175248711.db2.gz PESIDYXWJWARSU-UHFFFAOYSA-N 0 0 256.349 3.432 10 30 CGEERN CN(C(=O)[C@@H](C#N)Cc1ccccc1)c1ccccc1 ZINC000044808870 175257744 /nfs/dbraw/zinc/25/77/44/175257744.db2.gz RRLFUBNNZPXPFP-OAHLLOKOSA-N 0 0 264.328 3.032 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)Cc1c(Cl)cccc1Cl ZINC000335296728 226238492 /nfs/dbraw/zinc/23/84/92/226238492.db2.gz MMCZOTJCBBRSQV-RNCFNFMXSA-N 0 0 297.185 3.344 10 30 CGEERN CCCCCCC(=O)CC#CC(OCC)OCC ZINC000725254087 544113383 /nfs/dbraw/zinc/11/33/83/544113383.db2.gz GVAUUUZLMJAMOF-UHFFFAOYSA-N 0 0 254.370 3.319 10 30 CGEERN O=C(Nc1cnn(-c2ccccc2)c1)N1CC[C@@H]2CCC[C@H]21 ZINC000330244141 228077847 /nfs/dbraw/zinc/07/78/47/228077847.db2.gz KDCXUKYGHAHOOA-XJKSGUPXSA-N 0 0 296.374 3.292 10 30 CGEERN CC(C)[C@](C)(C#N)NC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000245996194 262672319 /nfs/dbraw/zinc/67/23/19/262672319.db2.gz BTLCWGALVVXGHN-MKBNYLNASA-N 0 0 292.329 3.123 10 30 CGEERN C[C@H](CNC(=O)C[C@H]1CCCCC(=O)N1)c1nccs1 ZINC000328649250 263832345 /nfs/dbraw/zinc/83/23/45/263832345.db2.gz IRFXXXYQDIUFES-GHMZBOCLSA-N 0 0 295.408 3.492 10 30 CGEERN C[C@H](CC1CC1)NC(=O)c1coc(C2CCOCC2)n1 ZINC000328811321 263866067 /nfs/dbraw/zinc/86/60/67/263866067.db2.gz OOOSYHARHITQRQ-SNVBAGLBSA-N 0 0 278.352 3.062 10 30 CGEERN COc1ccc2c(c1)CC/C(=C\c1ccncc1)C2=O ZINC000013824050 274121946 /nfs/dbraw/zinc/12/19/46/274121946.db2.gz OMJQCRYAFOMMKI-GXDHUFHOSA-N 0 0 265.312 3.303 10 30 CGEERN C=C(C)CNC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000156875934 276863527 /nfs/dbraw/zinc/86/35/27/276863527.db2.gz PCBBCDWFQYHRIC-CYBMUJFWSA-N 0 0 274.364 3.164 10 30 CGEERN CN1c2ccccc2C(=O)/C1=C\c1ccc(F)cc1 ZINC000006871674 277217234 /nfs/dbraw/zinc/21/72/34/277217234.db2.gz CCULBDZISZJCRU-XNTDXEJSSA-N 0 0 253.276 3.499 10 30 CGEERN C#C[C@H](C)NC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000186069679 277706562 /nfs/dbraw/zinc/70/65/62/277706562.db2.gz IWFRZYDRRHBSJR-ZFWWWQNUSA-N 0 0 298.386 3.144 10 30 CGEERN C=C(C)CC(CC(=C)C)(C(=O)OCC)C(=O)OCC ZINC000001678930 277765221 /nfs/dbraw/zinc/76/52/21/277765221.db2.gz ZXVVBHVQWWXUJI-UHFFFAOYSA-N 0 0 268.353 3.031 10 30 CGEERN C[C@@H]1Cc2cc(O)ccc2/C(=N/OC(=O)c2ccco2)C1 ZINC000005370028 279012587 /nfs/dbraw/zinc/01/25/87/279012587.db2.gz GMVUIJIFSYMNTE-SBGIHMHXSA-N 0 0 285.299 3.129 10 30 CGEERN Cc1ncc(NC(=O)[C@H]2C[C@@]23CCOc2ccccc23)cn1 ZINC000329719991 279153942 /nfs/dbraw/zinc/15/39/42/279153942.db2.gz MQPSNDRALLEZJX-RHSMWYFYSA-N 0 0 295.342 3.113 10 30 CGEERN O=C1C=C2c3cc(Cl)c(O)cc3C[C@]23CC[C@H]1C3 ZINC000066346704 280247747 /nfs/dbraw/zinc/24/77/47/280247747.db2.gz ZIOXDCFIRHKCBM-VXJOIVPMSA-N 0 0 260.720 3.354 10 30 CGEERN Cc1nn(C(C)(C)C)c(NC(=O)c2ccccc2)c1C#N ZINC000000165244 293691106 /nfs/dbraw/zinc/69/11/06/293691106.db2.gz VJKOSYFOFPVMDP-UHFFFAOYSA-N 0 0 282.347 3.071 10 30 CGEERN Cc1cc(Cl)ccc1C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000223201165 329235018 /nfs/dbraw/zinc/23/50/18/329235018.db2.gz CYYFZUPJCLQBSV-MFKMUULPSA-N 0 0 262.740 3.071 10 30 CGEERN N#CC1(C(=O)Nc2cccc(-c3ncon3)c2)CCCCC1 ZINC000170632108 329067465 /nfs/dbraw/zinc/06/74/65/329067465.db2.gz UQUOJRGCDLFNHS-UHFFFAOYSA-N 0 0 296.330 3.149 10 30 CGEERN C#CCCCNC(=O)N1CCCC[C@H]1c1ccc(CC)o1 ZINC000173324809 329145682 /nfs/dbraw/zinc/14/56/82/329145682.db2.gz CQZLMMLAAAXZJP-HNNXBMFYSA-N 0 0 288.391 3.492 10 30 CGEERN C=CCCCC(=O)N1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000177212396 329181877 /nfs/dbraw/zinc/18/18/77/329181877.db2.gz DIPDIUQTTFFLNH-KGLIPLIRSA-N 0 0 277.364 3.050 10 30 CGEERN C#CCCCNC(=O)N1CC=C(c2ccccc2F)CC1 ZINC000184689845 329262110 /nfs/dbraw/zinc/26/21/10/329262110.db2.gz HQPVOCYEFVIXOU-UHFFFAOYSA-N 0 0 286.350 3.038 10 30 CGEERN Cc1ccc(Cl)cc1C(=O)N[C@H]1CCC[C@H]1C#N ZINC000228454143 329341675 /nfs/dbraw/zinc/34/16/75/329341675.db2.gz KDEZIRJHUXPBOS-GWCFXTLKSA-N 0 0 262.740 3.071 10 30 CGEERN CCCCCCCCOCC(=O)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000188662024 329371658 /nfs/dbraw/zinc/37/16/58/329371658.db2.gz WJWGXYZEHIRXIU-OAGGEKHMSA-N 0 0 297.439 3.047 10 30 CGEERN C=C(C)CN(CC)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000053961908 329668477 /nfs/dbraw/zinc/66/84/77/329668477.db2.gz PDGSOVVYSPFAAO-CQSZACIVSA-N 0 0 274.364 3.118 10 30 CGEERN N#CCc1ccc(NC(=O)N[C@H]2COc3ccccc32)cc1 ZINC000058612714 329678874 /nfs/dbraw/zinc/67/88/74/329678874.db2.gz NYNSAZJWNOKEHE-HNNXBMFYSA-N 0 0 293.326 3.008 10 30 CGEERN COc1cc(CN[C@@H]2CCC[C@@H]2C#N)ccc1Cl ZINC000459456243 331282185 /nfs/dbraw/zinc/28/21/85/331282185.db2.gz FOKYFMNEJJSPFE-DGCLKSJQSA-N 0 0 264.756 3.130 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1cc(F)c(Cl)cc1F ZINC000167554069 331308430 /nfs/dbraw/zinc/30/84/30/331308430.db2.gz RRJHORROAQAASV-MADCSZMMSA-N 0 0 284.693 3.040 10 30 CGEERN CCC[C@H](CC(C)C)C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000308092080 333024628 /nfs/dbraw/zinc/02/46/28/333024628.db2.gz STUXEFCKJIUYAC-MCIONIFRSA-N 0 0 250.386 3.257 10 30 CGEERN C=CCN(CCOC)C(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000190452086 333206929 /nfs/dbraw/zinc/20/69/29/333206929.db2.gz HTQCDHLWUZSASR-LBPRGKRZSA-N 0 0 296.798 3.245 10 30 CGEERN C=CCSCCNC(=O)N[C@H]1CCCc2ccccc21 ZINC000194635952 333274133 /nfs/dbraw/zinc/27/41/33/333274133.db2.gz FNHAEAMHLPSIBI-HNNXBMFYSA-N 0 0 290.432 3.282 10 30 CGEERN CCC[C@H](N[C@@H]1CCC[C@@H](C#N)C1)C(=O)OC(C)(C)C ZINC000248877491 334320385 /nfs/dbraw/zinc/32/03/85/334320385.db2.gz RHIDJTZOKIXKPV-MCIONIFRSA-N 0 0 280.412 3.169 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000250680922 334348495 /nfs/dbraw/zinc/34/84/95/334348495.db2.gz YLCUGOUPTZVVDS-RHYQMDGZSA-N 0 0 288.313 3.164 10 30 CGEERN C=CCN(Cc1cccs1)Cc1nnc(C(C)C)n1C ZINC000195030976 336043221 /nfs/dbraw/zinc/04/32/21/336043221.db2.gz ICFRVWCBFXXMCX-UHFFFAOYSA-N 0 0 290.436 3.188 10 30 CGEERN C=CC[C@H](C)NC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000247557370 534345170 /nfs/dbraw/zinc/34/51/70/534345170.db2.gz UFBKPUJFEZZWKB-DLOVCJGASA-N 0 0 265.303 3.149 10 30 CGEERN CC(C)CN(CCC#N)c1nncc2ccccc21 ZINC000048371985 519715140 /nfs/dbraw/zinc/71/51/40/519715140.db2.gz PXSNNEVABJHFQM-UHFFFAOYSA-N 0 0 254.337 3.006 10 30 CGEERN CCCCCCCNc1cccc(-n2cnnn2)c1 ZINC000059426952 520059274 /nfs/dbraw/zinc/05/92/74/520059274.db2.gz VCQWROBKXIBTDX-UHFFFAOYSA-N 0 0 259.357 3.045 10 30 CGEERN CCCN[C@H](C#N)CCOc1cc(C)cc(C)c1C ZINC000062447268 520059387 /nfs/dbraw/zinc/05/93/87/520059387.db2.gz ZXCFSXJTRFZZDA-HNNXBMFYSA-N 0 0 260.381 3.273 10 30 CGEERN CC1(C)CSC(Nc2cnc3ccccc3c2)=N1 ZINC000055142313 520513657 /nfs/dbraw/zinc/51/36/57/520513657.db2.gz VJPHDNKCWOADBZ-UHFFFAOYSA-N 0 0 257.362 3.337 10 30 CGEERN C=C[C@@](C)(CC)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000189880563 534612707 /nfs/dbraw/zinc/61/27/07/534612707.db2.gz PMFZIYBEYHPTFX-PXAZEXFGSA-N 0 0 289.375 3.237 10 30 CGEERN Cc1cncc(NC(=O)C[C@@H]2CCCCC(=O)N2)c1 ZINC000329862008 534682646 /nfs/dbraw/zinc/68/26/46/534682646.db2.gz YGBYDKZYSBJJGX-NSHDSACASA-N 0 0 261.325 3.267 10 30 CGEERN CC[C@H]1CCCN(c2ccc(Cl)cc2/C(N)=N/O)C1 ZINC000052860561 523095854 /nfs/dbraw/zinc/09/58/54/523095854.db2.gz ILRGXRMBHNOCOM-JTQLQIEISA-N 0 0 281.787 3.061 10 30 CGEERN COCCN(c1ccc(C#N)cc1Cl)[C@H](C)C1CC1 ZINC000062793797 523782353 /nfs/dbraw/zinc/78/23/53/523782353.db2.gz ZLJWWHIXHORYPW-LLVKDONJSA-N 0 0 278.783 3.463 10 30 CGEERN COc1ccc(N[C@H](CC#N)c2ccccc2)cn1 ZINC000055014817 524710197 /nfs/dbraw/zinc/71/01/97/524710197.db2.gz SMKOKOUSLUICDD-CQSZACIVSA-N 0 0 253.305 3.157 10 30 CGEERN Cc1ccc(C#N)c(N2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000051598223 525991084 /nfs/dbraw/zinc/99/10/84/525991084.db2.gz LLGRBMAEEZORAK-GOEBONIOSA-N 0 0 256.349 3.015 10 30 CGEERN N#Cc1c(Cl)cccc1NCc1ccc(N)cc1 ZINC000052906446 526519532 /nfs/dbraw/zinc/51/95/32/526519532.db2.gz LEUBBIPOOHUAFY-UHFFFAOYSA-N 0 0 257.724 3.406 10 30 CGEERN N#Cc1cc(Cl)ccc1Oc1ccccc1C(N)=O ZINC000052859804 526553906 /nfs/dbraw/zinc/55/39/06/526553906.db2.gz QUVGSWHXMQLWSG-UHFFFAOYSA-N 0 0 272.691 3.103 10 30 CGEERN N#Cc1cccc(CNc2c(F)cc(N)cc2F)c1 ZINC000051667520 526711330 /nfs/dbraw/zinc/71/13/30/526711330.db2.gz JSLMWRFTYFYWDN-UHFFFAOYSA-N 0 0 259.259 3.031 10 30 CGEERN CC(C)n1nnnc1CS[C@@H](C)c1ccc(C#N)cc1 ZINC000176903691 528702740 /nfs/dbraw/zinc/70/27/40/528702740.db2.gz AJSNTRFESVQOHA-NSHDSACASA-N 0 0 287.392 3.120 10 30 CGEERN C=C(Cl)CC(=O)[C@@H](C)NC(=O)OCc1ccccc1 ZINC000685959042 570406639 /nfs/dbraw/zinc/40/66/39/570406639.db2.gz ITNWYQGPDJQFNU-LLVKDONJSA-N 0 0 281.739 3.013 10 30 CGEERN Cn1c(C#N)ccc1-c1ccc2c(c1)CCCC2=O ZINC000058591637 581098761 /nfs/dbraw/zinc/09/87/61/581098761.db2.gz LQXCQLISPYZXBF-UHFFFAOYSA-N 0 0 250.301 3.083 10 30 CGEERN C#CC[C@@H](OC(=O)Cc1ccccc1Cl)C1CC1 ZINC000175332273 617678544 /nfs/dbraw/zinc/67/85/44/617678544.db2.gz NPSWSFHJUQBFTN-CQSZACIVSA-N 0 0 262.736 3.228 10 30 CGEERN CCCCCCCC(=O)N1CCC[C@@H](NC(=O)CCC)C1 ZINC000157089593 618160953 /nfs/dbraw/zinc/16/09/53/618160953.db2.gz VGVRAGJXKZFWEC-OAHLLOKOSA-N 0 0 296.455 3.254 10 30 CGEERN N#Cc1sc(N[C@@H]2COc3ccccc32)nc1Cl ZINC000236061147 618838642 /nfs/dbraw/zinc/83/86/42/618838642.db2.gz JGUDWOWKUJSKTE-MRVPVSSYSA-N 0 0 277.736 3.214 10 30 CGEERN C#CCCCC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000191903348 619722080 /nfs/dbraw/zinc/72/20/80/619722080.db2.gz UFSFSIRQEMQNOS-QWRGUYRKSA-N 0 0 261.287 3.027 10 30 CGEERN C#CCCCCNC(=O)N[C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000181452132 624860598 /nfs/dbraw/zinc/86/05/98/624860598.db2.gz JZIGSLVAEHJMGB-YOEHRIQHSA-N 0 0 284.403 3.331 10 30 CGEERN C=CCc1cc(OCC)ccc1OC(=O)[C@H]1CC[C@@H](C)O1 ZINC000121425156 634561481 /nfs/dbraw/zinc/56/14/81/634561481.db2.gz GDZRZFFCWVGZIG-MLGOLLRUSA-N 0 0 290.359 3.287 10 30 CGEERN C=CCCOC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1 ZINC000103648063 630338845 /nfs/dbraw/zinc/33/88/45/630338845.db2.gz ZGOFGVGXGODTNE-SMDDNHRTSA-N 0 0 273.332 3.014 10 30 CGEERN C=CC[C@H](C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)CC ZINC000116862465 639175969 /nfs/dbraw/zinc/17/59/69/639175969.db2.gz NBNMBVZZAUDNFY-AGIUHOORSA-N 0 0 298.427 3.007 10 30 CGEERN C=C(Br)CN[C@@H](C)c1csc(C)n1 ZINC000158856715 640021365 /nfs/dbraw/zinc/02/13/65/640021365.db2.gz WIDZVAUDRPEYMQ-ZETCQYMHSA-N 0 0 261.188 3.011 10 30 CGEERN CCCCCCCCCN1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000192045606 640347295 /nfs/dbraw/zinc/34/72/95/640347295.db2.gz IHIBEIJSKLMCNK-HNNXBMFYSA-N 0 0 294.443 3.237 10 30 CGEERN C[C@@H](Oc1ccccc1C#N)C(=O)O[C@H](C)C1CCC1 ZINC000083149721 640595918 /nfs/dbraw/zinc/59/59/18/640595918.db2.gz WDQDAENAPBMLDY-VXGBXAGGSA-N 0 0 273.332 3.057 10 30 CGEERN C=CCOc1ccc(C(=O)Oc2ccc(C=O)cc2)cc1 ZINC000090443426 640680065 /nfs/dbraw/zinc/68/00/65/640680065.db2.gz NNSHWWJZAJGKFR-UHFFFAOYSA-N 0 0 282.295 3.283 10 30 CGEERN C=C[C@](C)(CCOC)COC(=O)/C=C\c1ncccc1C ZINC000588552081 799710865 /nfs/dbraw/zinc/71/08/65/799710865.db2.gz IMFCUWGSKBVXLJ-XZVRFQMRSA-N 0 0 289.375 3.175 10 30 CGEERN CC(C)c1cccc2c1OC/C(=C/c1cocn1)C2=O ZINC000588579818 799716643 /nfs/dbraw/zinc/71/66/43/799716643.db2.gz NOOFKVIHABRLEU-WDZFZDKYSA-N 0 0 269.300 3.457 10 30 CGEERN C[C@H]([NH2+]Cc1csc(C(=O)[O-])c1)c1ccc(C#N)cc1 ZINC000689089501 976215839 /nfs/dbraw/zinc/21/58/39/976215839.db2.gz RJUQYLWMUKFVPF-JTQLQIEISA-N 0 0 286.356 3.169 10 30 CGEERN Cc1ccc(CNC2=CC(=O)c3ccccc3C2=O)cc1 ZINC000100257005 230391855 /nfs/dbraw/zinc/39/18/55/230391855.db2.gz JDFQGKLNEOIQIG-UHFFFAOYSA-N 0 0 277.323 3.048 10 30 CGEERN COC(=O)CC=C(Nc1ccc(F)cc1)C(F)(F)F ZINC000095930762 185032933 /nfs/dbraw/zinc/03/29/33/185032933.db2.gz XDFYKSQGDDRUFM-YVLHZVERSA-N 0 0 277.217 3.414 10 30 CGEERN N#Cc1nnc2ccccc2c1N[C@@H]1CCC[C@H]2C[C@H]21 ZINC000591991888 346954149 /nfs/dbraw/zinc/95/41/49/346954149.db2.gz HXFQPKHVJHRZON-CYZMBNFOSA-N 0 0 264.332 3.102 10 30 CGEERN C=C(Br)CNc1cc(C)ccc1OC ZINC000037681018 344952019 /nfs/dbraw/zinc/95/20/19/344952019.db2.gz NYJMCZCMDCOYOS-UHFFFAOYSA-N 0 0 256.143 3.324 10 30 CGEERN C=C(Br)CSc1ccc(N)cc1F ZINC000037681590 344952169 /nfs/dbraw/zinc/95/21/69/344952169.db2.gz QRBDEPLZUSSKDM-UHFFFAOYSA-N 0 0 262.147 3.409 10 30 CGEERN C[C@H](CC#N)Nc1ccc(Br)cc1F ZINC000037871176 344953094 /nfs/dbraw/zinc/95/30/94/344953094.db2.gz FIRGQRHXODHTCN-SSDOTTSWSA-N 0 0 257.106 3.302 10 30 CGEERN COc1ccc(C(=O)[C@H](C#N)c2cccc(OC)c2)cc1 ZINC000039128352 344958187 /nfs/dbraw/zinc/95/81/87/344958187.db2.gz FPEAVBPJROUOHX-MRXNPFEDSA-N 0 0 281.311 3.194 10 30 CGEERN Cc1c(C#N)oc2c(c1=O)CSc1ccccc1-2 ZINC000039246887 344958928 /nfs/dbraw/zinc/95/89/28/344958928.db2.gz GKXKOVHKLUVLCQ-UHFFFAOYSA-N 0 0 255.298 3.093 10 30 CGEERN CCCCCCCNC(=O)OCCCc1c[nH]cn1 ZINC000036289074 344944225 /nfs/dbraw/zinc/94/42/25/344944225.db2.gz XPSRIMNHOBWTMI-UHFFFAOYSA-N 0 0 267.373 3.039 10 30 CGEERN C[C@H](C#N)Sc1ccc(Br)cc1N ZINC000043516650 345000304 /nfs/dbraw/zinc/00/03/04/345000304.db2.gz JLUPNLLETGYUIH-ZCFIWIBFSA-N 0 0 257.156 3.035 10 30 CGEERN C[C@H](CC(=O)N[C@@H]1CCC[C@@H]1C#N)CC(C)(C)C ZINC000061888352 345235565 /nfs/dbraw/zinc/23/55/65/345235565.db2.gz RQNIRIUZGZIAPV-JHJVBQTASA-N 0 0 250.386 3.257 10 30 CGEERN CC[C@@H](C#N)Oc1ccc(Br)cc1C ZINC000063061934 345243428 /nfs/dbraw/zinc/24/34/28/345243428.db2.gz BRUFSIGCOSNDQF-JTQLQIEISA-N 0 0 254.127 3.439 10 30 CGEERN C[C@@H]1C[C@@H]1NC(=O)c1ccccc1-c1ccccc1C#N ZINC000075524624 345511551 /nfs/dbraw/zinc/51/15/51/345511551.db2.gz OXVODDUMIQSKBD-PXAZEXFGSA-N 0 0 276.339 3.363 10 30 CGEERN Cc1cnc(CCNc2ccc(Cl)c(C#N)n2)s1 ZINC000078373083 345604735 /nfs/dbraw/zinc/60/47/35/345604735.db2.gz OWOIETGTANPELM-UHFFFAOYSA-N 0 0 278.768 3.026 10 30 CGEERN N#Cc1cccnc1N1CCC(Nc2ccccc2F)CC1 ZINC000078370565 345604800 /nfs/dbraw/zinc/60/48/00/345604800.db2.gz XAAXREICJQNUEB-UHFFFAOYSA-N 0 0 296.349 3.173 10 30 CGEERN N#CC1(c2nc3cccc(-c4ccccc4)c3c(=O)[nH]2)CC1 ZINC000116369378 345977301 /nfs/dbraw/zinc/97/73/01/345977301.db2.gz QKRHXYDHNFPJNR-UHFFFAOYSA-N 0 0 287.322 3.145 10 30 CGEERN C(#Cc1ccc(NC2CCOCC2)nc1)c1ccccc1 ZINC000116747876 345979759 /nfs/dbraw/zinc/97/97/59/345979759.db2.gz ZJHNHVJDSIORAA-UHFFFAOYSA-N 0 0 278.355 3.072 10 30 CGEERN Cc1cc(-c2cncc(F)c2[C@H](C)O)ccc1C#N ZINC000117052655 345981093 /nfs/dbraw/zinc/98/10/93/345981093.db2.gz AVSFJTVGWZGTMV-JTQLQIEISA-N 0 0 256.280 3.121 10 30 CGEERN Nc1cccc(C#Cc2ccc(OC(F)F)cc2)c1 ZINC000145346360 346120123 /nfs/dbraw/zinc/12/01/23/346120123.db2.gz XPHRJVAQFFOVRU-UHFFFAOYSA-N 0 0 259.255 3.270 10 30 CGEERN COCOc1cc(C#N)ccc1-c1cccc(C=O)c1 ZINC000145917284 346121797 /nfs/dbraw/zinc/12/17/97/346121797.db2.gz SXOPCLPKSATQME-UHFFFAOYSA-N 0 0 267.284 3.020 10 30 CGEERN N#CC1(Cc2cncc(Br)c2)CCC1 ZINC000161829313 346176830 /nfs/dbraw/zinc/17/68/30/346176830.db2.gz JFXGNHNJDJMZLF-UHFFFAOYSA-N 0 0 251.127 3.080 10 30 CGEERN C=CCN1CCc2cc(-c3ccc(C#N)cc3)ccc2C1=O ZINC000166489098 346186912 /nfs/dbraw/zinc/18/69/12/346186912.db2.gz DTQNESBBNIWOBW-UHFFFAOYSA-N 0 0 288.350 3.410 10 30 CGEERN C=CCOc1ccc(O[C@H]2CCCCO2)cc1C(C)=O ZINC000167684053 346189110 /nfs/dbraw/zinc/18/91/10/346189110.db2.gz XRQWOPOLEZNPIN-INIZCTEOSA-N 0 0 276.332 3.359 10 30 CGEERN CC=C=CC(=O)c1cc(C)c(Br)s1 ZINC000167875196 346189217 /nfs/dbraw/zinc/18/92/17/346189217.db2.gz TZIRVODCFOHWFS-UHFFFAOYSA-N 0 0 257.152 3.415 10 30 CGEERN CCOC(=O)/C(=C/c1cccc2ccccc12)[N+](=O)[O-] ZINC000168394505 346190760 /nfs/dbraw/zinc/19/07/60/346190760.db2.gz OEYQTLOPFACQGV-UVTDQMKNSA-N 0 0 271.272 3.021 10 30 CGEERN C=CCOc1cc(=O)oc2ccc(Br)cc12 ZINC000197120266 346277001 /nfs/dbraw/zinc/27/70/01/346277001.db2.gz SGLKTSAFKMKNCL-UHFFFAOYSA-N 0 0 281.105 3.120 10 30 CGEERN CO[C@H](C#N)c1ccc(Br)c(Cl)c1 ZINC000234767286 346332551 /nfs/dbraw/zinc/33/25/51/346332551.db2.gz QSZOJUASESVQTL-SECBINFHSA-N 0 0 260.518 3.314 10 30 CGEERN Cc1ccc(Br)cc1NC(=O)[C@@H](C)S ZINC000235294950 346334357 /nfs/dbraw/zinc/33/43/57/346334357.db2.gz WYVPWIXMTSOYRI-SSDOTTSWSA-N 0 0 274.183 3.014 10 30 CGEERN CC[C@@H](C#N)[C@H](O)c1sccc1Br ZINC000228024316 346312917 /nfs/dbraw/zinc/31/29/17/346312917.db2.gz CADZIEJVZIWQFF-XPUUQOCRSA-N 0 0 260.156 3.094 10 30 CGEERN C=C(Cl)CNc1ccc(Br)c(C)n1 ZINC000230079193 346319920 /nfs/dbraw/zinc/31/99/20/346319920.db2.gz RPJUGAIRNYVJIE-UHFFFAOYSA-N 0 0 261.550 3.317 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NCc1ccc(F)cc1Br ZINC000230686419 346321537 /nfs/dbraw/zinc/32/15/37/346321537.db2.gz KCEGLTYHCVKMTQ-ZANVPECISA-N 0 0 297.171 3.370 10 30 CGEERN N#CCc1cc(I)ccc1Cl ZINC000238595414 346350178 /nfs/dbraw/zinc/35/01/78/346350178.db2.gz LANKCPMHRZYVLQ-UHFFFAOYSA-N 0 0 277.492 3.011 10 30 CGEERN C=C(Br)CNc1ccc(C)cc1C#N ZINC000235758365 346336629 /nfs/dbraw/zinc/33/66/29/346336629.db2.gz ALXFVDKVRQORDC-UHFFFAOYSA-N 0 0 251.127 3.187 10 30 CGEERN C#CCC(=O)c1cc(Cl)cc(Br)c1 ZINC000236032062 346338403 /nfs/dbraw/zinc/33/84/03/346338403.db2.gz IEJRNAOYSPRASB-UHFFFAOYSA-N 0 0 257.514 3.309 10 30 CGEERN CC(=O)Nc1ccc(N=Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000254442985 346395922 /nfs/dbraw/zinc/39/59/22/346395922.db2.gz IMXKJMANWWMXIO-UHFFFAOYSA-N 0 0 283.287 3.304 10 30 CGEERN Cc1cc(Br)c(C#CC#N)cc1Cl ZINC000306512900 346454566 /nfs/dbraw/zinc/45/45/66/346454566.db2.gz RBILFQIJHPPJSL-UHFFFAOYSA-N 0 0 254.514 3.286 10 30 CGEERN N#Cc1cc(C(F)(F)F)c(C(F)(F)F)cc1C=O ZINC000514279398 346638106 /nfs/dbraw/zinc/63/81/06/346638106.db2.gz KOTDEUBPNYDMMK-UHFFFAOYSA-N 0 0 267.128 3.408 10 30 CGEERN C=CCSc1snnc1C(=O)c1cccs1 ZINC000584637668 346701616 /nfs/dbraw/zinc/70/16/16/346701616.db2.gz ZQRWAXNVTGZCKX-UHFFFAOYSA-N 0 0 268.388 3.109 10 30 CGEERN Oc1ccccc1C=NNc1ccc2cccc(O)c2n1 ZINC000584591686 346685931 /nfs/dbraw/zinc/68/59/31/346685931.db2.gz OSKMQYGWZQCYIH-LICLKQGHSA-N 0 0 279.299 3.092 10 30 CGEERN N#Cc1ccccc1-c1cc(-c2ccccc2O)n[nH]1 ZINC000584598602 346689023 /nfs/dbraw/zinc/68/90/23/346689023.db2.gz KQJKYEKRRDBMDA-UHFFFAOYSA-N 0 0 261.284 3.321 10 30 CGEERN C[C@@H](CC#N)[NH2+]CCCCCCCC[NH2+][C@@H](C)CC#N ZINC000584600238 346689092 /nfs/dbraw/zinc/68/90/92/346689092.db2.gz UEASPWPTZMVZLO-HOTGVXAUSA-N 0 0 278.444 3.111 10 30 CGEERN CCc1ccccc1Oc1ccc(/C=N/NC(N)=S)cc1 ZINC000584605514 346690989 /nfs/dbraw/zinc/69/09/89/346690989.db2.gz RHOUWSKBPNOGPH-WOJGMQOQSA-N 0 0 299.399 3.208 10 30 CGEERN C[C@]1(O)C=CC(=O)[C@@H](c2ccc(-c3ccccc3)cc2)O1 ZINC000584625876 346697461 /nfs/dbraw/zinc/69/74/61/346697461.db2.gz XIYKUJUSGRHODB-QZTJIDSGSA-N 0 0 280.323 3.259 10 30 CGEERN Cc1cc(C)c([C@H](O)C#CBr)c(C)c1 ZINC000584630977 346698570 /nfs/dbraw/zinc/69/85/70/346698570.db2.gz GJABPDFFGQCQLI-LLVKDONJSA-N 0 0 253.139 3.001 10 30 CGEERN C=CC[C@H]1OC(=O)c2ccc(Br)cc21 ZINC000584630934 346698657 /nfs/dbraw/zinc/69/86/57/346698657.db2.gz OFVFAOGJDNGJAN-SNVBAGLBSA-N 0 0 253.095 3.237 10 30 CGEERN C[Si](C)(C)C#CCCOc1nc(Cl)cc(Cl)n1 ZINC000584635716 346700961 /nfs/dbraw/zinc/70/09/61/346700961.db2.gz HSTPURUKQIXWEH-UHFFFAOYSA-N 0 0 289.238 3.433 10 30 CGEERN N/C(=N/O)c1cc(F)ccc1OC1CCCCCC1 ZINC000104244631 185942121 /nfs/dbraw/zinc/94/21/21/185942121.db2.gz PLRKNEYYQXEPGR-UHFFFAOYSA-N 0 0 266.316 3.022 10 30 CGEERN Cc1nn(C)c(N[C@H](C)c2ccc(Cl)s2)c1C#N ZINC000111350106 186403326 /nfs/dbraw/zinc/40/33/26/186403326.db2.gz BORVJDVURZMZBK-MRVPVSSYSA-N 0 0 280.784 3.488 10 30 CGEERN C=C[C@H](CC(=O)N[C@H](C)[C@@H]1CCCO1)c1ccccc1 ZINC000152878567 188049791 /nfs/dbraw/zinc/04/97/91/188049791.db2.gz JSUVABADYOLRBW-FMKPAKJESA-N 0 0 273.376 3.030 10 30 CGEERN C#CCCCCNC(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000158682152 188389040 /nfs/dbraw/zinc/38/90/40/188389040.db2.gz GWVUXQLVQPWATN-LLVKDONJSA-N 0 0 280.318 3.129 10 30 CGEERN N#Cc1nc(N[C@H]2CCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000302781225 283251639 /nfs/dbraw/zinc/25/16/39/283251639.db2.gz RXAYBMSOGMTMMJ-ZDUSSCGKSA-N 0 0 294.314 3.351 10 30 CGEERN N#Cc1nc2ccccc2cc1N[C@@H]1CC12CCOCC2 ZINC000334052514 283252285 /nfs/dbraw/zinc/25/22/85/283252285.db2.gz SPIJESGNKCJAOK-MRXNPFEDSA-N 0 0 279.343 3.087 10 30 CGEERN C=CCC(CC=C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000176895709 189013323 /nfs/dbraw/zinc/01/33/23/189013323.db2.gz OEIBLXIFWQOCQS-OAHLLOKOSA-N 0 0 271.360 3.395 10 30 CGEERN C=CC[C@@H](C)NC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000176861439 189012070 /nfs/dbraw/zinc/01/20/70/189012070.db2.gz ZORYILJFZMNWHG-KGLIPLIRSA-N 0 0 298.390 3.197 10 30 CGEERN Cc1nc(CNc2snc(Cl)c2C#N)c(C)s1 ZINC000301849857 201232563 /nfs/dbraw/zinc/23/25/63/201232563.db2.gz WFUBYHXWVXRTGM-UHFFFAOYSA-N 0 0 284.797 3.354 10 30 CGEERN C=CCc1ccccc1OCC(=O)Nc1ccccc1OC ZINC000001284713 368405781 /nfs/dbraw/zinc/40/57/81/368405781.db2.gz NJTHSGCZEBPGIF-UHFFFAOYSA-N 0 0 297.354 3.441 10 30 CGEERN CCN(C(=O)[C@@H](C)Oc1ccccc1C#N)c1ccccc1 ZINC000003556561 368513454 /nfs/dbraw/zinc/51/34/54/368513454.db2.gz UPYHOBGJUQGGBZ-CQSZACIVSA-N 0 0 294.354 3.379 10 30 CGEERN C=CCOc1ccc2cccc(CCNC(=O)CC)c2c1 ZINC000013781770 368667827 /nfs/dbraw/zinc/66/78/27/368667827.db2.gz ILVAJXKYVTYTGU-UHFFFAOYSA-N 0 0 283.371 3.473 10 30 CGEERN N#CCCN(c1ccccc1)c1ccccc1CO ZINC000034956826 368981879 /nfs/dbraw/zinc/98/18/79/368981879.db2.gz UMWQIJSXFTYTKA-UHFFFAOYSA-N 0 0 252.317 3.231 10 30 CGEERN C[C@@H](CC#N)C(=O)c1ccc(Br)cc1 ZINC000033426668 368965529 /nfs/dbraw/zinc/96/55/29/368965529.db2.gz CZFMVNRMLPEAHV-QMMMGPOBSA-N 0 0 252.111 3.182 10 30 CGEERN CCC1CCC(Nc2nnc(C)c(C)c2C#N)CC1 ZINC000048346387 369342852 /nfs/dbraw/zinc/34/28/52/369342852.db2.gz OJBORTXSRXSMHY-UHFFFAOYSA-N 0 0 258.369 3.346 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NCc1cc(Br)ccc1F ZINC000054826264 369507266 /nfs/dbraw/zinc/50/72/66/369507266.db2.gz LAPZOYOZRBYJQM-ZANVPECISA-N 0 0 297.171 3.370 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1cc2c(s1)CCCC2 ZINC000061889101 369609687 /nfs/dbraw/zinc/60/96/87/369609687.db2.gz WATGTYGYUNVAOR-NWDGAFQWSA-N 0 0 274.389 3.049 10 30 CGEERN CC(C)Oc1ccccc1CN[C@H]1CCC[C@@H]1C#N ZINC000061892091 369610801 /nfs/dbraw/zinc/61/08/01/369610801.db2.gz MUOPBWCRSGPQMC-HIFRSBDPSA-N 0 0 258.365 3.256 10 30 CGEERN N#Cc1ccc(N[C@H]2COc3ccccc32)c([N+](=O)[O-])c1 ZINC000070199004 369789560 /nfs/dbraw/zinc/78/95/60/369789560.db2.gz GWCQJCSCTBTVHJ-ZDUSSCGKSA-N 0 0 281.271 3.012 10 30 CGEERN COC(=O)c1ccc(/N=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000100035244 370270390 /nfs/dbraw/zinc/27/03/90/370270390.db2.gz MXPZWBFXNXTFQB-MHWRWJLKSA-N 0 0 284.271 3.132 10 30 CGEERN CC[C@@H](Nc1ccc([N+](=O)[O-])c(C#N)n1)c1cccs1 ZINC000233891276 189820614 /nfs/dbraw/zinc/82/06/14/189820614.db2.gz XJOTXQYIBJYYMS-SECBINFHSA-N 0 0 288.332 3.486 10 30 CGEERN C[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(C#N)n2)CC1 ZINC000235646527 189829679 /nfs/dbraw/zinc/82/96/79/189829679.db2.gz FFEHUWDBWNXWFB-WDEREUQCSA-N 0 0 274.324 3.242 10 30 CGEERN CC(C)[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(C#N)n2)C1 ZINC000302743107 373949120 /nfs/dbraw/zinc/94/91/20/373949120.db2.gz RXSIHRZYQXVDSL-RYUDHWBXSA-N 0 0 288.351 3.488 10 30 CGEERN Cc1ccc(CN(C)c2ccc(C)c(C#N)n2)cc1F ZINC000302694473 373929860 /nfs/dbraw/zinc/92/98/60/373929860.db2.gz GBTNKLXTIZKQPG-UHFFFAOYSA-N 0 0 269.323 3.346 10 30 CGEERN O=C(N[C@H]1CCCO[C@@H]1c1ccncc1)[C@@H]1C[C@@H]1C1CC1 ZINC000328653344 374374972 /nfs/dbraw/zinc/37/49/72/374374972.db2.gz LBRRTWLGVHVKRE-LVQVYYBASA-N 0 0 286.375 3.304 10 30 CGEERN CCC[C@@H]1C[C@@H]1NC(=O)C[C@H]1CCCCC(=O)N1 ZINC000328647479 374373765 /nfs/dbraw/zinc/37/37/65/374373765.db2.gz HYQKJHSXLHOCQT-UTUOFQBUSA-N 0 0 252.358 3.421 10 30 CGEERN O=C(Nc1cccc(-c2ncco2)c1)N1C[C@H]2CCC[C@@H]21 ZINC000328773023 374382020 /nfs/dbraw/zinc/38/20/20/374382020.db2.gz RQVYDCWCZLEPMK-OCCSQVGLSA-N 0 0 283.331 3.371 10 30 CGEERN C[C@H](NC(=O)N[C@@H]1CCO[C@@H]1C1CC1)C1CCCCC1 ZINC000328811433 374383761 /nfs/dbraw/zinc/38/37/61/374383761.db2.gz AZFVBASXWOFJID-NILFDRSVSA-N 0 0 280.412 3.026 10 30 CGEERN N#Cc1ccc(NCc2ncc(-c3ccccc3)cn2)cn1 ZINC000186013889 374785092 /nfs/dbraw/zinc/78/50/92/374785092.db2.gz OSGWJISBBDVRTC-UHFFFAOYSA-N 0 0 287.326 3.022 10 30 CGEERN C=CCC[C@H](C(=O)N[C@H](C)[C@@H]1CCCO1)c1ccccc1 ZINC000186603250 374885627 /nfs/dbraw/zinc/88/56/27/374885627.db2.gz OQIQKJWUOILAIC-PVAVHDDUSA-N 0 0 287.403 3.420 10 30 CGEERN C#C[C@@]1(O)C[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C1 ZINC000255999959 190000530 /nfs/dbraw/zinc/00/05/30/190000530.db2.gz RQTAWUWLPLUKCO-REPLKXPHSA-N 0 0 277.367 3.217 10 30 CGEERN C=C1COc2ccccc2[C@@H]1NOCc1ccccc1 ZINC000211675085 376135234 /nfs/dbraw/zinc/13/52/34/376135234.db2.gz NWKUTNAIHSHYPR-QGZVFWFLSA-N 0 0 267.328 3.398 10 30 CGEERN Cc1ccc([C@@H](C)NCc2cccc(C#N)c2F)o1 ZINC000230630304 376523906 /nfs/dbraw/zinc/52/39/06/376523906.db2.gz PXVWKFXRVRMENV-LLVKDONJSA-N 0 0 258.296 3.450 10 30 CGEERN CSc1nnc(C(F)F)n1N=Cc1ccc(C)s1 ZINC000254836899 377714840 /nfs/dbraw/zinc/71/48/40/377714840.db2.gz QRCISMUODXEBRO-UHFFFAOYSA-N 0 0 288.348 3.190 10 30 CGEERN CC(=O)Nc1ccc(N=Cc2ccc3c(c2)OCO3)cc1 ZINC000254683169 377710976 /nfs/dbraw/zinc/71/09/76/377710976.db2.gz RPCUEDMNDXRFJS-UHFFFAOYSA-N 0 0 282.299 3.124 10 30 CGEERN CCOC(=O)Cc1ccc(C(F)F)c(CC)c1C#N ZINC000575389756 377897647 /nfs/dbraw/zinc/89/76/47/377897647.db2.gz PTYDSWJPFFEXFW-UHFFFAOYSA-N 0 0 267.275 3.164 10 30 CGEERN CCOC(=O)c1ccc(C#N)c(C(F)(F)F)c1CC ZINC000575389829 377897825 /nfs/dbraw/zinc/89/78/25/377897825.db2.gz QNTDNJDHBLYTDB-UHFFFAOYSA-N 0 0 271.238 3.316 10 30 CGEERN CCOC(=O)c1cc(C(F)F)c(CC)cc1C#N ZINC000575389939 377898169 /nfs/dbraw/zinc/89/81/69/377898169.db2.gz VKRPNHYBMNIOIO-UHFFFAOYSA-N 0 0 253.248 3.235 10 30 CGEERN N#CCc1cc(N)c(C(F)(F)F)c(C(F)(F)F)c1 ZINC000575381108 377892408 /nfs/dbraw/zinc/89/24/08/377892408.db2.gz PLAJEAJYHSOAOR-UHFFFAOYSA-N 0 0 268.160 3.372 10 30 CGEERN N#CCc1c(O)c(C(F)(F)F)ccc1C(F)(F)F ZINC000575381806 377892857 /nfs/dbraw/zinc/89/28/57/377892857.db2.gz UCKSWTPFTOXJTA-UHFFFAOYSA-N 0 0 269.144 3.496 10 30 CGEERN CCOC(=O)c1cc(C(F)(F)F)cc(Cl)c1C#N ZINC000575383286 377893556 /nfs/dbraw/zinc/89/35/56/377893556.db2.gz NIJBZBSWFDOVBV-UHFFFAOYSA-N 0 0 277.629 3.407 10 30 CGEERN COC(=O)c1c(C#N)cc(Cl)cc1C(F)(F)F ZINC000575383316 377893997 /nfs/dbraw/zinc/89/39/97/377893997.db2.gz OZEZOCHSTAXNMJ-UHFFFAOYSA-N 0 0 263.602 3.017 10 30 CGEERN CCOC(=O)Cc1c(C#N)c(Cl)ccc1C(F)(F)F ZINC000575383540 377895002 /nfs/dbraw/zinc/89/50/02/377895002.db2.gz ZGJNVAXBHCYHOB-UHFFFAOYSA-N 0 0 291.656 3.336 10 30 CGEERN COC(=O)Cc1cc(C(F)(F)F)cc(C#N)c1C(F)F ZINC000575387353 377896062 /nfs/dbraw/zinc/89/60/62/377896062.db2.gz KSJUXSQPACCPJD-UHFFFAOYSA-N 0 0 293.191 3.230 10 30 CGEERN CCOC(=O)c1c(CC)cc(C#N)cc1C(F)F ZINC000575389772 377897295 /nfs/dbraw/zinc/89/72/95/377897295.db2.gz RGWGBXHVNODWCQ-UHFFFAOYSA-N 0 0 253.248 3.235 10 30 CGEERN COC(=O)c1cc(F)c(C#N)cc1SC(F)(F)F ZINC000575390702 377899829 /nfs/dbraw/zinc/89/98/29/377899829.db2.gz RZUJFYJGEWPPDX-UHFFFAOYSA-N 0 0 279.214 3.096 10 30 CGEERN COC(=O)Cc1cc(F)c(SC(F)(F)F)c(C#N)c1 ZINC000575390705 377899864 /nfs/dbraw/zinc/89/98/64/377899864.db2.gz SHIXPMGEXSMBEW-UHFFFAOYSA-N 0 0 293.241 3.025 10 30 CGEERN CCOc1cc(C#N)cc(C(F)(F)F)c1CC#N ZINC000575643333 377926034 /nfs/dbraw/zinc/92/60/34/377926034.db2.gz POOIHOBQHDIECL-UHFFFAOYSA-N 0 0 254.211 3.042 10 30 CGEERN CCOc1c(CC#N)ccc(OC(F)F)c1OCC ZINC000575651311 377928640 /nfs/dbraw/zinc/92/86/40/377928640.db2.gz YENBQGKDYYCMSW-UHFFFAOYSA-N 0 0 271.263 3.151 10 30 CGEERN N#CCc1cc(OC(F)F)cc([N+](=O)[O-])c1C(F)F ZINC000575653044 377930437 /nfs/dbraw/zinc/93/04/37/377930437.db2.gz RWHUZZUAOQZCIF-UHFFFAOYSA-N 0 0 278.161 3.200 10 30 CGEERN N#CCc1cc(C(F)F)cc([N+](=O)[O-])c1OC(F)F ZINC000575652566 377930871 /nfs/dbraw/zinc/93/08/71/377930871.db2.gz IEOUMGBJPAMBOC-UHFFFAOYSA-N 0 0 278.161 3.200 10 30 CGEERN CCOc1c(CC#N)cc(CC)cc1OC(F)F ZINC000575656312 377933486 /nfs/dbraw/zinc/93/34/86/377933486.db2.gz NPYMNZVWNMKBOG-UHFFFAOYSA-N 0 0 255.264 3.315 10 30 CGEERN N#Cc1ccc(OC(F)F)c(F)c1C(F)(F)F ZINC000575658813 377934427 /nfs/dbraw/zinc/93/44/27/377934427.db2.gz DXSDAFSVUANRHW-UHFFFAOYSA-N 0 0 255.117 3.318 10 30 CGEERN Cc1cc(OC(F)F)cc(C#N)c1OC(F)(F)F ZINC000575665172 377942005 /nfs/dbraw/zinc/94/20/05/377942005.db2.gz QAKUSJXEUZYKQK-UHFFFAOYSA-N 0 0 267.153 3.367 10 30 CGEERN N#CCc1ccc(OC(F)F)c([N+](=O)[O-])c1C(F)(F)F ZINC000575666017 377943188 /nfs/dbraw/zinc/94/31/88/377943188.db2.gz HURBZUVETVAEFH-UHFFFAOYSA-N 0 0 296.151 3.281 10 30 CGEERN COc1c(CC#N)ccc(OC(F)F)c1C(F)(F)F ZINC000575666606 377944130 /nfs/dbraw/zinc/94/41/30/377944130.db2.gz WOKWRQILEQJBCP-UHFFFAOYSA-N 0 0 281.180 3.381 10 30 CGEERN Cc1ccc(C(F)(F)F)c(C#N)c1OC(F)F ZINC000575666824 377944377 /nfs/dbraw/zinc/94/43/77/377944377.db2.gz ZQHNSYGHEDZXBB-UHFFFAOYSA-N 0 0 251.154 3.487 10 30 CGEERN Cc1cc(OC(F)F)cc(C#N)c1C(F)(F)F ZINC000575666605 377944381 /nfs/dbraw/zinc/94/43/81/377944381.db2.gz VZEJDEFDPFJPEF-UHFFFAOYSA-N 0 0 251.154 3.487 10 30 CGEERN N#CCc1cc([N+](=O)[O-])c(C(F)(F)F)cc1OC(F)F ZINC000575668814 377946230 /nfs/dbraw/zinc/94/62/30/377946230.db2.gz XREJGDIQFDBMNO-UHFFFAOYSA-N 0 0 296.151 3.281 10 30 CGEERN Cc1cc(CC#N)c(Br)c(OC(F)F)c1 ZINC000575682872 377956938 /nfs/dbraw/zinc/95/69/38/377956938.db2.gz FYJGTJJOMIPCHQ-UHFFFAOYSA-N 0 0 276.080 3.425 10 30 CGEERN COc1cc(Br)cc(CC#N)c1Cl ZINC000575674316 377949477 /nfs/dbraw/zinc/94/94/77/377949477.db2.gz RNJLZZBSGBKDTE-UHFFFAOYSA-N 0 0 260.518 3.177 10 30 CGEERN COC(=O)c1ccc(C#N)c(C)c1SC(F)(F)F ZINC000575394302 377901455 /nfs/dbraw/zinc/90/14/55/377901455.db2.gz BBHFQFWJOSUKLV-UHFFFAOYSA-N 0 0 275.251 3.265 10 30 CGEERN Nc1cc(F)c(OC(F)(F)F)c(C(F)(F)F)c1 ZINC000575397299 377903560 /nfs/dbraw/zinc/90/35/60/377903560.db2.gz BXZWPJLWZFDAHD-UHFFFAOYSA-N 0 0 263.112 3.325 10 30 CGEERN Nc1c(F)cc(C(F)(F)F)cc1OC(F)(F)F ZINC000575397310 377903993 /nfs/dbraw/zinc/90/39/93/377903993.db2.gz DPPKBKGROXZENV-UHFFFAOYSA-N 0 0 263.112 3.325 10 30 CGEERN N#Cc1cc(F)cc(Br)c1OC(F)F ZINC000575680920 377954506 /nfs/dbraw/zinc/95/45/06/377954506.db2.gz VYVFJDWHPBZCDT-UHFFFAOYSA-N 0 0 266.016 3.061 10 30 CGEERN COc1cc(OC(F)F)c(Br)cc1CC#N ZINC000575686170 377961084 /nfs/dbraw/zinc/96/10/84/377961084.db2.gz ZRQNRMJPGLEABQ-UHFFFAOYSA-N 0 0 292.079 3.125 10 30 CGEERN N#Cc1cc(F)c(OC(F)(F)F)cc1Br ZINC000575689443 377964086 /nfs/dbraw/zinc/96/40/86/377964086.db2.gz LCWLXIMDDIRJNK-UHFFFAOYSA-N 0 0 284.006 3.358 10 30 CGEERN CCc1c(CC#N)ccc(OC(F)(F)F)c1[N+](=O)[O-] ZINC000575706564 377978485 /nfs/dbraw/zinc/97/84/85/377978485.db2.gz PYPIRESJIVGXSK-UHFFFAOYSA-N 0 0 274.198 3.122 10 30 CGEERN CC(C)[C@H](C)CC(=O)N1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000373378978 379269650 /nfs/dbraw/zinc/26/96/50/379269650.db2.gz UMGGJLYEAJDWIX-VYDXJSESSA-N 0 0 292.423 3.122 10 30 CGEERN O=C(N[C@@H]1CCCc2c(O)cccc21)C1CCC(=O)CC1 ZINC000330062086 296315160 /nfs/dbraw/zinc/31/51/60/296315160.db2.gz AMYOGIYBYXZJCH-OAHLLOKOSA-N 0 0 287.359 3.485 10 30 CGEERN O=C(C[C@@H]1CCCCNC1=O)NCCOC1CCCCC1 ZINC000329231904 227368314 /nfs/dbraw/zinc/36/83/14/227368314.db2.gz FNZPFKMHVKMGPE-ZDUSSCGKSA-N 0 0 296.411 3.439 10 30 CGEERN C[C@@H]1OCC[C@@H]1NC(=O)C1(c2cccnc2)CCCC1 ZINC000329281645 542446058 /nfs/dbraw/zinc/44/60/58/542446058.db2.gz ADJLQVXXSBEPSQ-JSGCOSHPSA-N 0 0 274.364 3.027 10 30 CGEERN CCn1cc(NC(=O)[C@H]2C[C@@]23CCOc2ccccc23)cn1 ZINC000329734677 542448388 /nfs/dbraw/zinc/44/83/88/542448388.db2.gz RNEWEYXWILBIRX-RHSMWYFYSA-N 0 0 297.358 3.231 10 30 CGEERN C[C@H](CCC1CC1)NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000329893668 542449514 /nfs/dbraw/zinc/44/95/14/542449514.db2.gz JQUHTANSEKJXMP-FRFSOERESA-N 0 0 294.439 3.106 10 30 CGEERN C[C@H]1CCN(C(=O)Nc2cccc(C#N)c2)C[C@H](C)C1 ZINC000154615570 533616815 /nfs/dbraw/zinc/61/68/15/533616815.db2.gz JKXHYFJLZHGIMS-QWHCGFSZSA-N 0 0 271.364 3.458 10 30 CGEERN C=CC(=O)[C@H](NC(=O)OC(C)(C)C)c1cccs1 ZINC000405905564 542627420 /nfs/dbraw/zinc/62/74/20/542627420.db2.gz GAFXHNZTISWLGJ-NSHDSACASA-N 0 0 267.350 3.069 10 30 CGEERN O=C1/C(=C/c2ccc(Cl)c(F)c2)N2CCC1CC2 ZINC000575601387 393201792 /nfs/dbraw/zinc/20/17/92/393201792.db2.gz CVXJTQPDSGSMMK-JYRVWZFOSA-N 0 0 265.715 3.115 10 30 CGEERN CC(C)(C)OC(=O)N1CC2(CCCC2)CC[C@@H]1C=O ZINC000675050884 543311165 /nfs/dbraw/zinc/31/11/65/543311165.db2.gz YIGDKJRYDUZGGY-GFCCVEGCSA-N 0 0 267.369 3.145 10 30 CGEERN Cc1ccc(NN=Cc2ccccc2[N+](=O)[O-])cc1 ZINC000005339646 170087428 /nfs/dbraw/zinc/08/74/28/170087428.db2.gz NIMMXRHFGFNTTP-XNTDXEJSSA-N 0 0 255.277 3.349 10 30 CGEERN C[C@H]1Cc2cc(C(=O)/C=C/c3ccco3)ccc2O1 ZINC000005359004 170089296 /nfs/dbraw/zinc/08/92/96/170089296.db2.gz XFVDROJOTUDXNC-QRGHLMKCSA-N 0 0 254.285 3.499 10 30 CGEERN N#Cc1cccc(NC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000005456856 170100977 /nfs/dbraw/zinc/10/09/77/170100977.db2.gz YXKCRFOFHHYZTF-YUTCNCBUSA-N 0 0 254.333 3.323 10 30 CGEERN CCC(=O)N(O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000005768104 170138883 /nfs/dbraw/zinc/13/88/83/170138883.db2.gz ZKPHEBDABUEJDE-UHFFFAOYSA-N 0 0 253.301 3.390 10 30 CGEERN Clc1cnc(N=NCc2ccncc2)c(Cl)c1 ZINC000007158296 170269617 /nfs/dbraw/zinc/26/96/17/170269617.db2.gz UDXAJSLZFDGQKY-OMCISZLKSA-N 0 0 267.119 3.229 10 30 CGEERN N#C[C@H](C(=O)c1ccncc1)c1cccc(Cl)c1 ZINC000012958695 170523547 /nfs/dbraw/zinc/52/35/47/170523547.db2.gz HWQADDPOAVJVMK-ZDUSSCGKSA-N 0 0 256.692 3.225 10 30 CGEERN Cc1cccc(C(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000013834201 170602667 /nfs/dbraw/zinc/60/26/67/170602667.db2.gz PQYKZTSUHGGIBP-FNORWQNLSA-N 0 0 254.285 3.302 10 30 CGEERN N#Cc1ccnc(Oc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000019474268 170806642 /nfs/dbraw/zinc/80/66/42/170806642.db2.gz BDZBEFRXKBRYDM-UHFFFAOYSA-N 0 0 275.651 3.307 10 30 CGEERN CC[C@@H](C)c1ccccc1Oc1ccc(/C(N)=N/O)cn1 ZINC000019505562 170817711 /nfs/dbraw/zinc/81/77/11/170817711.db2.gz WWNZABBGODWMDC-LLVKDONJSA-N 0 0 285.347 3.482 10 30 CGEERN C[C@@H](Nc1ccc(C#N)cc1)c1ccc(O)cc1O ZINC000019951143 170939482 /nfs/dbraw/zinc/93/94/82/170939482.db2.gz GOLWHPUXOYAWBR-SNVBAGLBSA-N 0 0 254.289 3.143 10 30 CGEERN COc1cccc([C@@H](C#N)NCc2ccccc2)c1 ZINC000020173316 171041312 /nfs/dbraw/zinc/04/13/12/171041312.db2.gz VOBVLOUAIGECRZ-MRXNPFEDSA-N 0 0 252.317 3.050 10 30 CGEERN C=CCNC(=O)[C@H](C)Nc1ccc(Cl)cc1Cl ZINC000020313775 171145409 /nfs/dbraw/zinc/14/54/09/171145409.db2.gz YGDTYLFXSYPZSE-QMMMGPOBSA-N 0 0 273.163 3.096 10 30 CGEERN C=CCN(CC=C)c1nc2ccccc2cc1C=O ZINC000020444411 171205701 /nfs/dbraw/zinc/20/57/01/171205701.db2.gz GGWQPONMDKGBLU-UHFFFAOYSA-N 0 0 252.317 3.226 10 30 CGEERN CCC(C)(C)O[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000020514772 171232104 /nfs/dbraw/zinc/23/21/04/171232104.db2.gz OCTFXSTYUZMELK-NSHDSACASA-N 0 0 260.337 3.090 10 30 CGEERN CCCCCCC1=CC(=O)CC[C@H]1C(=O)OCC ZINC000033610846 171814915 /nfs/dbraw/zinc/81/49/15/171814915.db2.gz VAFVKZPVSZARCO-CQSZACIVSA-N 0 0 252.354 3.425 10 30 CGEERN C[C@@H]1CSC(Nc2cccc(Br)c2)=N1 ZINC000035294936 172107220 /nfs/dbraw/zinc/10/72/20/172107220.db2.gz FNZAVRXRJUYXCL-SSDOTTSWSA-N 0 0 271.183 3.162 10 30 CGEERN C[C@H](O)c1cccc(OCc2ccccc2C#N)c1 ZINC000035627821 172306722 /nfs/dbraw/zinc/30/67/22/172306722.db2.gz BEBYVOJTBXAOEL-LBPRGKRZSA-N 0 0 253.301 3.191 10 30 CGEERN C[C@@H](C#N)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000036240620 172537959 /nfs/dbraw/zinc/53/79/59/172537959.db2.gz HBOHMXPXFOORGL-LURJTMIESA-N 0 0 276.645 3.457 10 30 CGEERN N/C(=N\O)c1ccc(Sc2ccc(F)c(F)c2)cc1 ZINC000037380835 173166808 /nfs/dbraw/zinc/16/68/08/173166808.db2.gz GVECLBOKJWSQLI-UHFFFAOYSA-N 0 0 280.299 3.211 10 30 CGEERN CCCc1ccc(Nc2ncc(N)cc2C#N)cc1 ZINC000037759076 173684561 /nfs/dbraw/zinc/68/45/61/173684561.db2.gz TVBTVOZKFHCDMD-UHFFFAOYSA-N 0 0 252.321 3.232 10 30 CGEERN N#C[C@H](NC1CCCCC1)c1ccc(F)cc1F ZINC000037969354 173917557 /nfs/dbraw/zinc/91/75/57/173917557.db2.gz TXDRZDIPFTXKCY-AWEZNQCLSA-N 0 0 250.292 3.452 10 30 CGEERN N#Cc1ccc(Oc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000037987968 173948472 /nfs/dbraw/zinc/94/84/72/173948472.db2.gz AOWSLVZAEMPCKK-UHFFFAOYSA-N 0 0 258.208 3.398 10 30 CGEERN N#Cc1cc([N+](=O)[O-])ccc1Nc1cc(N)ccc1Cl ZINC000038033837 174032227 /nfs/dbraw/zinc/03/22/27/174032227.db2.gz RZVLFQKNKHFRNP-UHFFFAOYSA-N 0 0 288.694 3.446 10 30 CGEERN CC[C@H](C)N[C@H](C#N)c1cc(Br)ccc1OC ZINC000038064437 174075506 /nfs/dbraw/zinc/07/55/06/174075506.db2.gz ZKDFROQMPVBMGA-JOYOIKCWSA-N 0 0 297.196 3.410 10 30 CGEERN N#C[C@@H](c1ccc(F)c(F)c1)N1CCCCCC1 ZINC000038086116 174096935 /nfs/dbraw/zinc/09/69/35/174096935.db2.gz AFZXQSRZEUGJED-AWEZNQCLSA-N 0 0 250.292 3.405 10 30 CGEERN COc1ccc([C@@H](C)Nc2cc(C#N)ccn2)cc1OC ZINC000040491206 174292557 /nfs/dbraw/zinc/29/25/57/174292557.db2.gz MPLASZDXCOWXTP-LLVKDONJSA-N 0 0 283.331 3.144 10 30 CGEERN Cc1nn2c(nc(C)c(Cc3ccccc3C)c2C)c1C#N ZINC000045370695 175364439 /nfs/dbraw/zinc/36/44/39/175364439.db2.gz UYPFGLVHCDBJGN-UHFFFAOYSA-N 0 0 290.370 3.425 10 30 CGEERN C[C@@H]1CCCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)C1 ZINC000329094206 287321310 /nfs/dbraw/zinc/32/13/10/287321310.db2.gz XOFMYVAHUDTMOW-YRGRVCCFSA-N 0 0 295.427 3.166 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CC(=O)c2ccccc21 ZINC000330024934 228019582 /nfs/dbraw/zinc/01/95/82/228019582.db2.gz KDGYTXYRKSCKQF-GDLCADMTSA-N 0 0 268.316 3.005 10 30 CGEERN C[C@H](C1CC1)n1cc(NC(=O)N2CC[C@@H]3CCC[C@H]32)cn1 ZINC000330251371 228080474 /nfs/dbraw/zinc/08/04/74/228080474.db2.gz NNUMRCRVCGTFRI-OSAQELSMSA-N 0 0 288.395 3.274 10 30 CGEERN C=C(C)c1c2cc(Br)ccc2nn1C ZINC000307285871 260136890 /nfs/dbraw/zinc/13/68/90/260136890.db2.gz PNGGKGJHKUXDLX-UHFFFAOYSA-N 0 0 251.127 3.369 10 30 CGEERN C=CCN(CC1CCCCC1)C(=O)[C@H]1CC[C@@H](C)O1 ZINC000154448000 260746975 /nfs/dbraw/zinc/74/69/75/260746975.db2.gz QQBJHLNMJSEIMU-UKRRQHHQSA-N 0 0 265.397 3.149 10 30 CGEERN CC(C)[C@](C)(C#N)NC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000162666243 262334175 /nfs/dbraw/zinc/33/41/75/262334175.db2.gz GSEALTQKEJUBMR-YCPHGPKFSA-N 0 0 262.397 3.257 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)Cc1ccc2ccccc2c1 ZINC000061888902 262405260 /nfs/dbraw/zinc/40/52/60/262405260.db2.gz HIRWFPIGJLCCIJ-IRXDYDNUSA-N 0 0 278.355 3.191 10 30 CGEERN C#CCCCCC(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000119568474 263276125 /nfs/dbraw/zinc/27/61/25/263276125.db2.gz QBMDGSFOFBDVDR-ZDUSSCGKSA-N 0 0 289.375 3.075 10 30 CGEERN C#CCCCCC(=O)N1CCCC[C@H]1c1nccs1 ZINC000180037031 264390247 /nfs/dbraw/zinc/39/02/47/264390247.db2.gz UZUSXJUMMWFEHF-ZDUSSCGKSA-N 0 0 276.405 3.390 10 30 CGEERN N#Cc1c(F)cccc1N1CCC[C@@H](C(F)(F)F)C1 ZINC000105736045 270048012 /nfs/dbraw/zinc/04/80/12/270048012.db2.gz BJPYFEFFSCIRPZ-SECBINFHSA-N 0 0 272.245 3.476 10 30 CGEERN C#CCn1c2ccccc2c2nc3ccccc3nc21 ZINC000000429903 275385642 /nfs/dbraw/zinc/38/56/42/275385642.db2.gz LOYGZDQOCPELSQ-UHFFFAOYSA-N 0 0 257.296 3.371 10 30 CGEERN CC1(C)CCC[C@H](NC(=O)[C@@H]2CCCC(=O)N2)C1 ZINC000329951725 278237945 /nfs/dbraw/zinc/23/79/45/278237945.db2.gz IJMQWQOHMKEAEX-QWRGUYRKSA-N 0 0 252.358 3.421 10 30 CGEERN CC(C)[C@H]1CCO[C@H]1C(=O)N[C@@H](C#N)C1CCCCC1 ZINC000329661327 280390787 /nfs/dbraw/zinc/39/07/87/280390787.db2.gz OXQJRVBZGUNMMW-QLFBSQMISA-N 0 0 278.396 3.476 10 30 CGEERN C[C@@]12CC[C@@H]3[C@H](CC(=O)C4=CC(=O)C=C[C@]43C)[C@H]1CCC2=O ZINC000504172827 289227407 /nfs/dbraw/zinc/22/74/07/289227407.db2.gz BXPQXTJWPDQYMP-IFDPXEGKSA-N 0 0 298.382 3.042 10 30 CGEERN Cc1ccc(/C=N\NC(=S)NC2CCCCC2)cc1 ZINC000034870983 301484453 /nfs/dbraw/zinc/48/44/53/301484453.db2.gz TWSGSJSJGLRBID-WJDWOHSUSA-N 0 0 275.421 3.126 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NCc1cccc(C(F)(F)F)c1 ZINC000054823380 327905290 /nfs/dbraw/zinc/90/52/90/327905290.db2.gz ARKOGSGQHFRVPX-AAEUAGOBSA-N 0 0 268.282 3.487 10 30 CGEERN C[C@H]1c2ccccc2O[C@H]1C(=O)N(CC#N)c1ccccc1 ZINC000172064967 329080747 /nfs/dbraw/zinc/08/07/47/329080747.db2.gz SRLMDWYTJSGUCU-SUMWQHHRSA-N 0 0 292.338 3.108 10 30 CGEERN CSc1ccc(CN[C@H]2CCC[C@H]2C#N)s1 ZINC000336719435 335115318 /nfs/dbraw/zinc/11/53/18/335115318.db2.gz YFVKNTDNSRXNLF-ONGXEEELSA-N 0 0 252.408 3.252 10 30 CGEERN C=C[C@](C)(CC)C(=O)N[C@@H](CCC)C(=O)OC(C)(C)C ZINC000189214595 333185902 /nfs/dbraw/zinc/18/59/02/333185902.db2.gz UORIUMBVLLUJBV-BLLLJJGKSA-N 0 0 283.412 3.215 10 30 CGEERN C=CCOc1ccccc1C(=O)N[C@@H]1COc2ccccc21 ZINC000194878769 333278507 /nfs/dbraw/zinc/27/85/07/333278507.db2.gz ZHEUHBILXTVHGC-OAHLLOKOSA-N 0 0 295.338 3.115 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000250830303 334351686 /nfs/dbraw/zinc/35/16/86/334351686.db2.gz IVHKPEPVWIVHNG-QMHWVQJVSA-N 0 0 274.408 3.401 10 30 CGEERN C=C(C)C[C@@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000185009127 518630521 /nfs/dbraw/zinc/63/05/21/518630521.db2.gz ZOJLRVCDDDBOPQ-OCCSQVGLSA-N 0 0 259.349 3.229 10 30 CGEERN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000185009055 518635591 /nfs/dbraw/zinc/63/55/91/518635591.db2.gz ZOJLRVCDDDBOPQ-GXTWGEPZSA-N 0 0 259.349 3.229 10 30 CGEERN CC(C)CN(C(=O)[C@H](C#N)c1ccccc1)C(C)C ZINC000061615183 519706609 /nfs/dbraw/zinc/70/66/09/519706609.db2.gz VKRQSWFMNUSPAE-OAHLLOKOSA-N 0 0 258.365 3.187 10 30 CGEERN CC(C)CS[C@@H](C/C(N)=N/O)c1ccccc1 ZINC000055023022 519769854 /nfs/dbraw/zinc/76/98/54/519769854.db2.gz PBUOAPIKEDWSRH-LBPRGKRZSA-N 0 0 252.383 3.253 10 30 CGEERN CCOc1cc(C=NNc2nc3ccccc3[nH]2)ccc1O ZINC000051012657 520647335 /nfs/dbraw/zinc/64/73/35/520647335.db2.gz UYLHZCMBDAICHZ-YVLHZVERSA-N 0 0 296.330 3.113 10 30 CGEERN Cc1cnc([C@H](C)NC(=O)c2scnc2C2CC2)o1 ZINC000329409813 534631224 /nfs/dbraw/zinc/63/12/24/534631224.db2.gz CVACFZOAXBHFIQ-QMMMGPOBSA-N 0 0 277.349 3.383 10 30 CGEERN Cc1cc(NC[C@@H]2Cc3ccccc32)c(C#N)c(C)n1 ZINC000156590435 525274728 /nfs/dbraw/zinc/27/47/28/525274728.db2.gz PBAFHRJVPBXLPU-AWEZNQCLSA-N 0 0 263.344 3.322 10 30 CGEERN Cc1cc(NCc2ccccc2C)c(C#N)c(C)n1 ZINC000156540025 525280828 /nfs/dbraw/zinc/28/08/28/525280828.db2.gz YTZPQVGXOGHRBU-UHFFFAOYSA-N 0 0 251.333 3.491 10 30 CGEERN Cc1ccnc(Sc2ccc(C#N)cc2Cl)n1 ZINC000062794215 525710254 /nfs/dbraw/zinc/71/02/54/525710254.db2.gz ARHBWDFLHINKCM-UHFFFAOYSA-N 0 0 261.737 3.461 10 30 CGEERN C=CCCC(=O)N1CCC[C@H](c2nc(CC)cs2)C1 ZINC000113204666 527070076 /nfs/dbraw/zinc/07/00/76/527070076.db2.gz AAELEEFBUMAWQB-LBPRGKRZSA-N 0 0 278.421 3.378 10 30 CGEERN OCC#Cc1cccc(COCC2CCCCC2)c1 ZINC000052156026 527519412 /nfs/dbraw/zinc/51/94/12/527519412.db2.gz JKGVURFODJJKMW-UHFFFAOYSA-N 0 0 258.361 3.127 10 30 CGEERN Cc1cc(C#N)ccc1COc1cccc([C@@H](C)O)c1 ZINC000166038622 618467683 /nfs/dbraw/zinc/46/76/83/618467683.db2.gz DMVWVEINTIUGDG-CYBMUJFWSA-N 0 0 267.328 3.499 10 30 CGEERN C#C[C@H](C)NC(=O)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000186025538 625504632 /nfs/dbraw/zinc/50/46/32/625504632.db2.gz ZXBQILZBLQXVSJ-QWHCGFSZSA-N 0 0 258.365 3.192 10 30 CGEERN Cc1cnc([C@@H](C)Nc2nc(Cl)c(C#N)s2)o1 ZINC000231748555 623339432 /nfs/dbraw/zinc/33/94/32/623339432.db2.gz IGSNUFWEQULKTC-ZCFIWIBFSA-N 0 0 268.729 3.138 10 30 CGEERN C#CCSCCNC(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000153389728 623871097 /nfs/dbraw/zinc/87/10/97/623871097.db2.gz JBOAPROUOBBWNA-NSHDSACASA-N 0 0 296.823 3.067 10 30 CGEERN C#CC[C@H](OC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000175340211 624629525 /nfs/dbraw/zinc/62/95/25/624629525.db2.gz NFXXNNLHNROLPC-IOASZLSFSA-N 0 0 290.309 3.413 10 30 CGEERN C=C[C@@H](CC)OC(=O)C1(c2ccccc2)CCOCC1 ZINC000181225509 624829435 /nfs/dbraw/zinc/82/94/35/624829435.db2.gz ZJJKGPALPFWFJG-HNNXBMFYSA-N 0 0 274.360 3.243 10 30 CGEERN C[C@@H](O)c1nc2ccccc2n1Cc1cccc(C#N)c1 ZINC000076080675 625039354 /nfs/dbraw/zinc/03/93/54/625039354.db2.gz IBOIAZVCFRFJRW-GFCCVEGCSA-N 0 0 277.327 3.010 10 30 CGEERN C=CCc1cc(OCC)ccc1OC(=O)[C@H]1CC[C@H](C)O1 ZINC000121424921 634561570 /nfs/dbraw/zinc/56/15/70/634561570.db2.gz GDZRZFFCWVGZIG-BLLLJJGKSA-N 0 0 290.359 3.287 10 30 CGEERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@H](C)C#N ZINC000125171321 634630982 /nfs/dbraw/zinc/63/09/82/634630982.db2.gz SRCUOBVFMZCXRC-GFCCVEGCSA-N 0 0 281.359 3.044 10 30 CGEERN C#CCCCCC(=O)N(C)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000120198245 629893510 /nfs/dbraw/zinc/89/35/10/629893510.db2.gz PUMXVSSDXIPKID-CVEARBPZSA-N 0 0 291.435 3.376 10 30 CGEERN CCCCCCCCC(=O)N1C[C@H](C)[C@@H](C(=O)OC)C1 ZINC000128957301 636101228 /nfs/dbraw/zinc/10/12/28/636101228.db2.gz JGWHDCYYAVEIFY-KBPBESRZSA-N 0 0 283.412 3.005 10 30 CGEERN N#Cc1cc(-c2nnc([C@H]3CCCOC3)o2)ccc1Cl ZINC000886038130 637379035 /nfs/dbraw/zinc/37/90/35/637379035.db2.gz DSQRGOAJSVTQOI-JTQLQIEISA-N 0 0 289.722 3.156 10 30 CGEERN CCCCCCCCCC(=O)NC[C@H]1CCC[C@H]1O ZINC000091315796 640710186 /nfs/dbraw/zinc/71/01/86/640710186.db2.gz KABBTVLNTOSITM-HUUCEWRRSA-N 0 0 269.429 3.404 10 30 CGEERN C=C[C@@H](C)OC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588539662 799708134 /nfs/dbraw/zinc/70/81/34/799708134.db2.gz YJNLIYYVUXGSKT-DWOQACPDSA-N 0 0 261.277 3.116 10 30 CGEERN CC[C@H](CC#N)OC(=O)/C(C)=C\c1ccc(F)cc1 ZINC000588558080 799711174 /nfs/dbraw/zinc/71/11/74/799711174.db2.gz PWYXSLNAADPGQO-IWMPZKFUSA-N 0 0 261.296 3.464 10 30 CGEERN Cc1ccc(C)c(N=C2NC(=O)/C(=C\c3cocn3)S2)c1 ZINC000588579622 799716922 /nfs/dbraw/zinc/71/69/22/799716922.db2.gz UHIPXIGCWITHBU-AWNIVKPZSA-N 0 0 299.355 3.183 10 30 CGEERN COc1ccc(-c2c(CC#N)ccc(OC)c2OC)cc1 ZINC000034122572 344937780 /nfs/dbraw/zinc/93/77/80/344937780.db2.gz DWDIHAOYFXLQTH-UHFFFAOYSA-N 0 0 283.327 3.445 10 30 CGEERN CCCSc1c(OC)cc(CC#N)cc1OC ZINC000037628342 344952023 /nfs/dbraw/zinc/95/20/23/344952023.db2.gz IOWQFIDMLXMIDU-UHFFFAOYSA-N 0 0 251.351 3.272 10 30 CGEERN C[C@@H](CC#N)Nc1ccc(Br)cc1F ZINC000037871175 344953219 /nfs/dbraw/zinc/95/32/19/344953219.db2.gz FIRGQRHXODHTCN-ZETCQYMHSA-N 0 0 257.106 3.302 10 30 CGEERN N#Cc1cnc2ccccc2c1NCC[C@@H]1CCCO1 ZINC000038097431 344954667 /nfs/dbraw/zinc/95/46/67/344954667.db2.gz YTUVBFAVUJTUCL-ZDUSSCGKSA-N 0 0 267.332 3.087 10 30 CGEERN COC(=O)c1ccc(/C=N/c2ccc(C(=O)OC)cc2)cc1 ZINC000035050304 344941835 /nfs/dbraw/zinc/94/18/35/344941835.db2.gz JPOHWWPZNKEAAO-WOJGMQOQSA-N 0 0 297.310 3.010 10 30 CGEERN C[C@@H](C#N)C(=O)c1cc(Br)ccc1Cl ZINC000037288049 344948829 /nfs/dbraw/zinc/94/88/29/344948829.db2.gz NTSYPXVBMDKHCH-LURJTMIESA-N 0 0 272.529 3.445 10 30 CGEERN C=C(Cl)CNc1cccc(I)c1 ZINC000037488527 344950791 /nfs/dbraw/zinc/95/07/91/344950791.db2.gz BBEAIOQPPZWCCQ-UHFFFAOYSA-N 0 0 293.535 3.456 10 30 CGEERN C=CCC[C@H](O)CCCc1cc(F)ccc1OC ZINC000059242694 345206462 /nfs/dbraw/zinc/20/64/62/345206462.db2.gz FFBBRGORNUZOIW-AWEZNQCLSA-N 0 0 252.329 3.484 10 30 CGEERN Cn1nc(-c2ccccc2)cc1C#Cc1ccccc1 ZINC000059127278 345206528 /nfs/dbraw/zinc/20/65/28/345206528.db2.gz PMJBEMDPZHJLIV-UHFFFAOYSA-N 0 0 258.324 3.487 10 30 CGEERN Cc1ccc(NCCCC#N)cc1Br ZINC000070993912 345400235 /nfs/dbraw/zinc/40/02/35/345400235.db2.gz SELQARIBGLXWSJ-UHFFFAOYSA-N 0 0 253.143 3.473 10 30 CGEERN Cc1cc(C#N)cc(C)c1Oc1ccnc(Cl)n1 ZINC000088154748 345757583 /nfs/dbraw/zinc/75/75/83/345757583.db2.gz HQYWBKBBGZBGFK-UHFFFAOYSA-N 0 0 259.696 3.411 10 30 CGEERN COc1ccc(Br)c(CC[C@@H](C)C=O)c1 ZINC000083710012 345727453 /nfs/dbraw/zinc/72/74/53/345727453.db2.gz BQKZNXGVZFLVTJ-SECBINFHSA-N 0 0 271.154 3.225 10 30 CGEERN CC[C@](C)(CO)Nc1cc(C#N)c2cc(Cl)ccc2n1 ZINC000092667957 345851046 /nfs/dbraw/zinc/85/10/46/345851046.db2.gz XCVMDIUXRZYTKN-OAHLLOKOSA-N 0 0 289.766 3.333 10 30 CGEERN C[C@@H](NCc1ccc(C#N)o1)c1cc(F)ccc1F ZINC000135141117 346086156 /nfs/dbraw/zinc/08/61/56/346086156.db2.gz BSHAIOKIBBMYTC-SECBINFHSA-N 0 0 262.259 3.280 10 30 CGEERN N#CC[S@@](=O)C1c2ccccc2-c2ccccc21 ZINC000137214230 346093023 /nfs/dbraw/zinc/09/30/23/346093023.db2.gz SOHXCOTZEZYZJG-SFHVURJKSA-N 0 0 253.326 3.029 10 30 CGEERN N#Cc1c(Sc2ccc(N)cc2)cccc1[N+](=O)[O-] ZINC000137471211 346094944 /nfs/dbraw/zinc/09/49/44/346094944.db2.gz FEQASGXEAAOZIB-UHFFFAOYSA-N 0 0 271.301 3.200 10 30 CGEERN COc1cc(CC=O)cc(OC)c1OCc1ccccc1 ZINC000145272160 346119794 /nfs/dbraw/zinc/11/97/94/346119794.db2.gz PGKXZOFABDDWSY-UHFFFAOYSA-N 0 0 286.327 3.024 10 30 CGEERN CO/N=C(/Cc1ccc(OC)cc1)c1ccccc1 ZINC000146700121 346124480 /nfs/dbraw/zinc/12/44/80/346124480.db2.gz YTFXVDZXFLGUBO-MSUUIHNZSA-N 0 0 255.317 3.288 10 30 CGEERN N#Cc1cnc2ccc(N)cc2c1NC1CCCC1 ZINC000149692863 346131849 /nfs/dbraw/zinc/13/18/49/346131849.db2.gz JYUPEQXQZCCQKM-UHFFFAOYSA-N 0 0 252.321 3.043 10 30 CGEERN CC#CC[C@H](O)c1c(F)cccc1Br ZINC000165105243 346184207 /nfs/dbraw/zinc/18/42/07/346184207.db2.gz DTCIENNSASGOQX-JTQLQIEISA-N 0 0 257.102 3.035 10 30 CGEERN CC#CC[C@@H](O)c1ccc(F)c(Br)c1 ZINC000169232803 346191780 /nfs/dbraw/zinc/19/17/80/346191780.db2.gz FDBWUKYJSYFUHL-LLVKDONJSA-N 0 0 257.102 3.035 10 30 CGEERN COC(=O)[C@@](C)(c1ccc(C#N)cc1)C1CCCC1 ZINC000169047504 346192080 /nfs/dbraw/zinc/19/20/80/346192080.db2.gz WNZWAMWNTRMUGQ-MRXNPFEDSA-N 0 0 257.333 3.179 10 30 CGEERN N#Cc1ccc(-c2[nH]c3cc(C#N)ccc3c2N)cc1 ZINC000196423861 346275905 /nfs/dbraw/zinc/27/59/05/346275905.db2.gz CMJXHZZKDNVWDC-UHFFFAOYSA-N 0 0 258.284 3.160 10 30 CGEERN COC(=O)CC1=CC(=O)C[C@H](C2CCCCC2)C1 ZINC000205489860 346283493 /nfs/dbraw/zinc/28/34/93/346283493.db2.gz YAEMJJURHJGLOR-CYBMUJFWSA-N 0 0 250.338 3.035 10 30 CGEERN CN(C)/C=C1\C(=O)C(C)(C)C[C@@H]1c1ccc(C#N)cc1 ZINC000219248727 346294291 /nfs/dbraw/zinc/29/42/91/346294291.db2.gz SGCPITXPZQVLEE-ADVGAGMGSA-N 0 0 268.360 3.086 10 30 CGEERN C#C[C@@H](CC)Nc1ncc(Cl)cc1Br ZINC000229999742 346318923 /nfs/dbraw/zinc/31/89/23/346318923.db2.gz ONBKSRYSIFFOJU-QMMMGPOBSA-N 0 0 273.561 3.321 10 30 CGEERN N#CCNc1c(Cl)cc(F)cc1Br ZINC000232167214 346324908 /nfs/dbraw/zinc/32/49/08/346324908.db2.gz USPDUNWZCILSNU-UHFFFAOYSA-N 0 0 263.497 3.177 10 30 CGEERN C[C@H]1CCC[C@@H](c2noc(-c3ccc(C#N)cn3)n2)C1 ZINC000235728271 346337018 /nfs/dbraw/zinc/33/70/18/346337018.db2.gz WUWCOYUAKDHHNP-CMPLNLGQSA-N 0 0 268.320 3.297 10 30 CGEERN N#Cc1ccc(-c2nc(C3CCCCCC3)no2)[nH]1 ZINC000236254749 346339654 /nfs/dbraw/zinc/33/96/54/346339654.db2.gz AWVSIZGTYVGJIH-UHFFFAOYSA-N 0 0 256.309 3.374 10 30 CGEERN O=C(c1cc(F)c(F)cc1F)C(F)(F)C(F)(F)F ZINC000236156431 346339797 /nfs/dbraw/zinc/33/97/97/346339797.db2.gz PILYHIDYTWAMJI-UHFFFAOYSA-N 0 0 278.098 3.484 10 30 CGEERN Cc1nc(C#N)cc(Cc2ccc(Br)cc2)n1 ZINC000409438337 346606371 /nfs/dbraw/zinc/60/63/71/346606371.db2.gz LVJYKIUHPNSBIB-UHFFFAOYSA-N 0 0 288.148 3.010 10 30 CGEERN N#CCc1c(C(F)(F)F)ccnc1C(F)(F)F ZINC000514261267 346635874 /nfs/dbraw/zinc/63/58/74/346635874.db2.gz BYKFYJFKKUESRN-UHFFFAOYSA-N 0 0 254.133 3.185 10 30 CGEERN N#Cc1ccc(C(F)(F)F)c(C(F)(F)F)c1C=O ZINC000514278744 346637973 /nfs/dbraw/zinc/63/79/73/346637973.db2.gz MOWPKRJGZMLXQA-UHFFFAOYSA-N 0 0 267.128 3.408 10 30 CGEERN N#Cc1c(C(F)(F)F)ccc(C=O)c1C(F)(F)F ZINC000514279679 346638024 /nfs/dbraw/zinc/63/80/24/346638024.db2.gz YXGGDHBCCQMEGA-UHFFFAOYSA-N 0 0 267.128 3.408 10 30 CGEERN C=CCc1cccc(CC=C)c1O[C@@H](C)C(=O)OCC ZINC000584643546 346703406 /nfs/dbraw/zinc/70/34/06/346703406.db2.gz HSFNBZOCOXRXKJ-ZDUSSCGKSA-N 0 0 274.360 3.474 10 30 CGEERN Cc1cc([C@H](O)c2ccc(C#N)cc2)n(-c2ccccc2)n1 ZINC000584659954 346705868 /nfs/dbraw/zinc/70/58/68/346705868.db2.gz FLAIVCLOUBXYML-GOSISDBHSA-N 0 0 289.338 3.134 10 30 CGEERN COC(=O)CCCCCCc1cccnc1CCC#N ZINC000584661665 346706507 /nfs/dbraw/zinc/70/65/07/346706507.db2.gz UMISOQIPYUJOCV-UHFFFAOYSA-N 0 0 274.364 3.204 10 30 CGEERN C#Cc1cccc(C(=O)Nc2cc(C)ccc2F)c1 ZINC000584592108 346686591 /nfs/dbraw/zinc/68/65/91/346686591.db2.gz KZPKIELWFGZLKU-UHFFFAOYSA-N 0 0 253.276 3.368 10 30 CGEERN CCOC(=O)c1ccc(C#CSC(F)(F)F)cc1 ZINC000584604526 346690307 /nfs/dbraw/zinc/69/03/07/346690307.db2.gz NWQBGTPNVQOWEJ-UHFFFAOYSA-N 0 0 274.263 3.425 10 30 CGEERN N#C[C@H](c1cccnc1)[C@@H](CCO)c1cccc(F)c1F ZINC000584633647 346699591 /nfs/dbraw/zinc/69/95/91/346699591.db2.gz XQXNVQPJSXWUSP-GXTWGEPZSA-N 0 0 288.297 3.133 10 30 CGEERN COc1cccc(CC[C@H](C#N)c2cccnc2)c1 ZINC000584633609 346699804 /nfs/dbraw/zinc/69/98/04/346699804.db2.gz WBFSIXWYRARNNS-CQSZACIVSA-N 0 0 252.317 3.330 10 30 CGEERN N#C[C@@H]1CCCC[C@@H]1NCc1cncc(Br)c1 ZINC000595688010 347337455 /nfs/dbraw/zinc/33/74/55/347337455.db2.gz AWVQVCVVYRBWGS-AAEUAGOBSA-N 0 0 294.196 3.016 10 30 CGEERN CSc1ccccc1Oc1ccc(/C(N)=N/O)cc1 ZINC000104339114 185974584 /nfs/dbraw/zinc/97/45/84/185974584.db2.gz QXADMQROEJAAIT-UHFFFAOYSA-N 0 0 274.345 3.295 10 30 CGEERN COc1ccc(C(=O)C[C@@H](C)C#N)c(Cl)c1OC ZINC000104362350 185984110 /nfs/dbraw/zinc/98/41/10/185984110.db2.gz DKIOTVOXLVSTSJ-MRVPVSSYSA-N 0 0 267.712 3.090 10 30 CGEERN CCCC[C@@H](NCc1ccc(C#N)o1)C(=O)OC(C)(C)C ZINC000156550261 188268768 /nfs/dbraw/zinc/26/87/68/188268768.db2.gz WURFYFZTBQQJCT-CQSZACIVSA-N 0 0 292.379 3.141 10 30 CGEERN N#Cc1cccc(-c2cccc(-c3ccccn3)n2)n1 ZINC000238809103 283200901 /nfs/dbraw/zinc/20/09/01/283200901.db2.gz JPYRGWAZGHVRGD-UHFFFAOYSA-N 0 0 258.284 3.077 10 30 CGEERN Cc1cnn([C@@H]2CCCN(Cc3cc(C#N)ccc3F)C2)c1 ZINC000105900880 138353142 /nfs/dbraw/zinc/35/31/42/138353142.db2.gz IBPKMIPKISDFRI-MRXNPFEDSA-N 0 0 298.365 3.039 10 30 CGEERN CC[S@](=O)[C@@H]1CCC[C@@H](Nc2ccc(C#N)cc2F)C1 ZINC000301588804 201083364 /nfs/dbraw/zinc/08/33/64/201083364.db2.gz WWXGAUWBUUPKNE-IZDJOXEWSA-N 0 0 294.395 3.189 10 30 CGEERN CC[S@](=O)[C@@H]1CCC[C@H](Nc2ccc(C#N)cc2F)C1 ZINC000301588806 201084462 /nfs/dbraw/zinc/08/44/62/201084462.db2.gz WWXGAUWBUUPKNE-RDXCRGQUSA-N 0 0 294.395 3.189 10 30 CGEERN C[C@@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)c1cccc(O)c1 ZINC000184015275 189373772 /nfs/dbraw/zinc/37/37/72/189373772.db2.gz AEQXFKHKPHEGRB-SNVBAGLBSA-N 0 0 283.287 3.345 10 30 CGEERN CCSC[C@@H](C)N(C)c1c(F)cc(C#N)cc1F ZINC000301742373 201170731 /nfs/dbraw/zinc/17/07/31/201170731.db2.gz LVQKAGOGMDNCEI-SECBINFHSA-N 0 0 270.348 3.414 10 30 CGEERN Cc1cc(Oc2ccc(C=O)cc2)c(C#N)c(C)n1 ZINC000301779649 201191336 /nfs/dbraw/zinc/19/13/36/201191336.db2.gz MOTGEAFRIHFJND-UHFFFAOYSA-N 0 0 252.273 3.175 10 30 CGEERN Cc1cccnc1[C@@H](Nc1cccc(C#N)n1)C(C)C ZINC000301806712 201209102 /nfs/dbraw/zinc/20/91/02/201209102.db2.gz AHTYKBVHRRXBFM-HNNXBMFYSA-N 0 0 266.348 3.466 10 30 CGEERN COc1cc(C)c(Sc2cccc(C#N)n2)cc1OC ZINC000301857029 201235315 /nfs/dbraw/zinc/23/53/15/201235315.db2.gz RRHVMPQRLXXMRG-UHFFFAOYSA-N 0 0 286.356 3.430 10 30 CGEERN N#Cc1nc(Oc2ccc3c(c2)CCC3)ccc1[N+](=O)[O-] ZINC000302690529 201513458 /nfs/dbraw/zinc/51/34/58/201513458.db2.gz CFTALGZWZIPOSW-UHFFFAOYSA-N 0 0 281.271 3.142 10 30 CGEERN Cc1ccc(/C=N/OC(=O)c2cccnc2Cl)cc1 ZINC000000165109 368306393 /nfs/dbraw/zinc/30/63/93/368306393.db2.gz UZSZYAJBFAQCCN-RQZCQDPDSA-N 0 0 274.707 3.234 10 30 CGEERN Cc1ccc(NC(=S)N/N=C/c2cccs2)cc1 ZINC000000585260 368389917 /nfs/dbraw/zinc/38/99/17/368389917.db2.gz XJKFVVWMXSYEFH-NTEUORMPSA-N 0 0 275.402 3.377 10 30 CGEERN S=C(N/N=C/C=C/c1ccccc1)N[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000004322307 368543523 /nfs/dbraw/zinc/54/35/23/368543523.db2.gz DVGSPFCAJAEAFV-ZVBOOWDZSA-N 0 0 299.443 3.338 10 30 CGEERN Cc1cc(O)ccc1C[C@@H](C#N)c1ccc(O)cc1 ZINC000013470328 368654118 /nfs/dbraw/zinc/65/41/18/368654118.db2.gz NJFCQEZGMMGGKH-AWEZNQCLSA-N 0 0 253.301 3.256 10 30 CGEERN CCCCCCCC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000125240724 370934322 /nfs/dbraw/zinc/93/43/22/370934322.db2.gz VJLUNIRHHAAAEV-UHFFFAOYSA-N 0 0 277.412 3.476 10 30 CGEERN CCC(C)(C)N=C(NC#N)Nc1c(C)cccc1C ZINC000033855200 368969606 /nfs/dbraw/zinc/96/96/06/368969606.db2.gz MGPCFLSZHITRBW-UHFFFAOYSA-N 0 0 258.369 3.331 10 30 CGEERN O=CCC(CC=O)(c1ccccc1)c1ccccc1 ZINC000034184553 368972322 /nfs/dbraw/zinc/97/23/22/368972322.db2.gz PMQLXPTVUKLMJN-UHFFFAOYSA-N 0 0 252.313 3.151 10 30 CGEERN O=C(O/N=C\c1cccc(F)c1)c1cccnc1Cl ZINC000033376728 368963640 /nfs/dbraw/zinc/96/36/40/368963640.db2.gz RZXPHQNFJQOEKR-IUXPMGMMSA-N 0 0 278.670 3.065 10 30 CGEERN O=C(O/N=C\c1ccccc1F)c1ccnc(Cl)c1 ZINC000033376727 368964014 /nfs/dbraw/zinc/96/40/14/368964014.db2.gz RONIYFYENCOIKK-IUXPMGMMSA-N 0 0 278.670 3.065 10 30 CGEERN C=CCOc1ccc(CN[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000061891654 369611006 /nfs/dbraw/zinc/61/10/06/369611006.db2.gz HGEYXTOFJANDER-GDBMZVCRSA-N 0 0 256.349 3.033 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NCc1ccccc1OC(F)(F)F ZINC000061891159 369611154 /nfs/dbraw/zinc/61/11/54/369611154.db2.gz KNJQUTIPKVPEIZ-PWSUYJOCSA-N 0 0 284.281 3.367 10 30 CGEERN COc1cc(CN[C@@H]2CCC[C@H]2C#N)cc(Cl)c1OC ZINC000061892200 369611236 /nfs/dbraw/zinc/61/12/36/369611236.db2.gz IRCKIPHRNKCRBH-WCQYABFASA-N 0 0 294.782 3.139 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000070579215 369805616 /nfs/dbraw/zinc/80/56/16/369805616.db2.gz XIPCFCRDNBYJJT-GWCFXTLKSA-N 0 0 297.185 3.344 10 30 CGEERN CC(=O)c1sc(N)c(C#N)c1-c1ccc(C)cc1 ZINC000072417632 369818920 /nfs/dbraw/zinc/81/89/20/369818920.db2.gz WRSYFBIRUGVRFQ-UHFFFAOYSA-N 0 0 256.330 3.380 10 30 CGEERN COc1cccc2c1CCC(=O)/C2=C/c1ccc(O)cc1 ZINC000103072636 370318595 /nfs/dbraw/zinc/31/85/95/370318595.db2.gz FVTLPXMOORYQQZ-LFIBNONCSA-N 0 0 280.323 3.457 10 30 CGEERN N#Cc1ccc(OCC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000098210916 370269043 /nfs/dbraw/zinc/26/90/43/370269043.db2.gz NDKLLESTBWWZSH-SECBINFHSA-N 0 0 283.171 3.473 10 30 CGEERN COc1cccc(/C=N/c2ccc(N(C)C(C)=O)cc2)c1O ZINC000100031461 370270119 /nfs/dbraw/zinc/27/01/19/370270119.db2.gz GCPKQRUBUYVPFP-WOJGMQOQSA-N 0 0 298.342 3.134 10 30 CGEERN O=C(C=C(O)C=Cc1cccs1)C(F)(F)C(F)F ZINC000100316290 370276107 /nfs/dbraw/zinc/27/61/07/370276107.db2.gz DHVPZCGSXPIICP-ONEGZZNKSA-N 0 0 280.242 3.190 10 30 CGEERN C=CCCO[C@H](C)C(=O)N1CC=C(c2cccs2)CC1 ZINC000117723410 370597400 /nfs/dbraw/zinc/59/74/00/370597400.db2.gz MFOMOXZMNOHCQD-CYBMUJFWSA-N 0 0 291.416 3.345 10 30 CGEERN N#CC1(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)CCCC1 ZINC000119027430 370638112 /nfs/dbraw/zinc/63/81/12/370638112.db2.gz HXWLLVLVKULIRM-KGLIPLIRSA-N 0 0 260.381 3.155 10 30 CGEERN COc1ccc([C@@H](C)Nc2ccc(C#N)nc2)cc1OC ZINC000149365836 371527692 /nfs/dbraw/zinc/52/76/92/371527692.db2.gz PSHWBQGZWHVFGW-LLVKDONJSA-N 0 0 283.331 3.144 10 30 CGEERN CCCCCCCN1CCO[C@@H](c2nccs2)C1 ZINC000157754003 372036272 /nfs/dbraw/zinc/03/62/72/372036272.db2.gz YCWNIORNKDZKPO-CYBMUJFWSA-N 0 0 268.426 3.487 10 30 CGEERN Cc1nnc(N(C)CC2CCC(C)CC2)c(C#N)c1C ZINC000301406810 373772439 /nfs/dbraw/zinc/77/24/39/373772439.db2.gz HFQAKMRGWZMMBZ-UHFFFAOYSA-N 0 0 272.396 3.228 10 30 CGEERN N#Cc1cc(Cl)ccc1NC[C@@H](O)C1CCCC1 ZINC000301289070 373732482 /nfs/dbraw/zinc/73/24/82/373732482.db2.gz OCEIAFNFNNSUNQ-CQSZACIVSA-N 0 0 264.756 3.175 10 30 CGEERN ON=C1CCc2cccc(OCc3ccccc3)c21 ZINC000309697271 374192400 /nfs/dbraw/zinc/19/24/00/374192400.db2.gz DWFVANIAPFABSC-UHFFFAOYSA-N 0 0 253.301 3.390 10 30 CGEERN C#C[C@H](C)NC(=O)[C@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000185983321 374780272 /nfs/dbraw/zinc/78/02/72/374780272.db2.gz HHDJJNKPJJLJDE-RCBQFDQVSA-N 0 0 255.361 3.051 10 30 CGEERN C=CC[C@H](C(=O)N[C@@H](C)[C@H]1CCCO1)c1ccccc1 ZINC000186602829 374884935 /nfs/dbraw/zinc/88/49/35/374884935.db2.gz YBVWKQDPOBRKAV-CWRNSKLLSA-N 0 0 273.376 3.030 10 30 CGEERN Cc1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccccc2C#N)o1 ZINC000193641625 375900228 /nfs/dbraw/zinc/90/02/28/375900228.db2.gz VBSRGXFVVLLUFD-QWHCGFSZSA-N 0 0 297.358 3.138 10 30 CGEERN Cc1ccccc1[C@H](C)NC(=O)c1cc(C#N)cs1 ZINC000084070268 249007911 /nfs/dbraw/zinc/00/79/11/249007911.db2.gz BWWRAUGEMYMYAB-NSHDSACASA-N 0 0 270.357 3.419 10 30 CGEERN CCOC(=O)c1cc(SC(F)(F)F)cc(C#N)c1F ZINC000575390600 377898155 /nfs/dbraw/zinc/89/81/55/377898155.db2.gz DFJXFPFTFAZMCX-UHFFFAOYSA-N 0 0 293.241 3.486 10 30 CGEERN COC(=O)Cc1cc(F)cc(C#N)c1SC(F)(F)F ZINC000575390604 377898273 /nfs/dbraw/zinc/89/82/73/377898273.db2.gz DXYPCJPMEOLIGI-UHFFFAOYSA-N 0 0 293.241 3.025 10 30 CGEERN COC(=O)c1ccc(F)c(SC(F)(F)F)c1C#N ZINC000575390617 377898293 /nfs/dbraw/zinc/89/82/93/377898293.db2.gz GEXWIPRBLQLLOI-UHFFFAOYSA-N 0 0 279.214 3.096 10 30 CGEERN COC(=O)c1cc(OC(F)(F)F)c(C#N)c(C(F)F)c1 ZINC000575343741 377883882 /nfs/dbraw/zinc/88/38/82/377883882.db2.gz FEFXODYPRSYMMM-UHFFFAOYSA-N 0 0 295.163 3.181 10 30 CGEERN COC(=O)c1cc(C#N)c(OC(F)(F)F)cc1C(F)F ZINC000575343955 377884011 /nfs/dbraw/zinc/88/40/11/377884011.db2.gz KUIQEAPISODCFL-UHFFFAOYSA-N 0 0 295.163 3.181 10 30 CGEERN OCc1ccc(F)c(C(F)(F)F)c1C(F)(F)F ZINC000575379569 377891590 /nfs/dbraw/zinc/89/15/90/377891590.db2.gz CBFGABWULZYQGZ-UHFFFAOYSA-N 0 0 262.124 3.356 10 30 CGEERN CCOC(=O)c1cc(Cl)c(OC(F)(F)F)cc1C#N ZINC000575382924 377892387 /nfs/dbraw/zinc/89/23/87/377892387.db2.gz SSERELMGIRXCJT-UHFFFAOYSA-N 0 0 293.628 3.287 10 30 CGEERN CCOC(=O)Cc1cc(Cl)c(C(F)(F)F)c(C#N)c1 ZINC000575383490 377893880 /nfs/dbraw/zinc/89/38/80/377893880.db2.gz XJWDTZSISPNNLP-UHFFFAOYSA-N 0 0 291.656 3.336 10 30 CGEERN CCOC(=O)c1cc(C#N)c(OC(F)F)cc1C(F)F ZINC000575385237 377895200 /nfs/dbraw/zinc/89/52/00/377895200.db2.gz FDGFBQURAHMDEX-UHFFFAOYSA-N 0 0 291.200 3.274 10 30 CGEERN CCOC(=O)c1cc(C#N)cc(OC(F)(F)F)c1CC ZINC000575388993 377896036 /nfs/dbraw/zinc/89/60/36/377896036.db2.gz PGEVFJMQJPLMAW-UHFFFAOYSA-N 0 0 287.237 3.196 10 30 CGEERN CCOC(=O)c1cc(C#N)c(OC(F)(F)F)cc1CC ZINC000575388754 377896263 /nfs/dbraw/zinc/89/62/63/377896263.db2.gz CNFRIIYVUXFREI-UHFFFAOYSA-N 0 0 287.237 3.196 10 30 CGEERN COC(=O)Cc1c(F)cc(SC(F)(F)F)cc1C#N ZINC000575390774 377899576 /nfs/dbraw/zinc/89/95/76/377899576.db2.gz ZTLVRPCVMOPOIN-UHFFFAOYSA-N 0 0 293.241 3.025 10 30 CGEERN CCOC(=O)c1cc(F)c(C#N)c(SC(F)(F)F)c1 ZINC000575390760 377899694 /nfs/dbraw/zinc/89/96/94/377899694.db2.gz YJGDSOGDAZTZLB-UHFFFAOYSA-N 0 0 293.241 3.486 10 30 CGEERN CCOC(=O)Cc1cc(C#N)c(CC)cc1C(F)F ZINC000575389436 377897333 /nfs/dbraw/zinc/89/73/33/377897333.db2.gz IAXYGHQPWVHLCU-UHFFFAOYSA-N 0 0 267.275 3.164 10 30 CGEERN CCOC(=O)Cc1c(C#N)cc(CC)cc1C(F)F ZINC000575389450 377897365 /nfs/dbraw/zinc/89/73/65/377897365.db2.gz INNDGDAEPRAJQJ-UHFFFAOYSA-N 0 0 267.275 3.164 10 30 CGEERN CCOC(=O)Cc1cc(C#N)c(CC)cc1C(F)(F)F ZINC000575389535 377897520 /nfs/dbraw/zinc/89/75/20/377897520.db2.gz GYWVRHROVMHWMC-UHFFFAOYSA-N 0 0 285.265 3.245 10 30 CGEERN O=C1C=CO[C@H](c2ccsc2Br)C1 ZINC000575590943 377918824 /nfs/dbraw/zinc/91/88/24/377918824.db2.gz IISJDRQBKZBYEG-QMMMGPOBSA-N 0 0 259.124 3.055 10 30 CGEERN CCOc1cc(OCC)c(C(F)F)cc1CC#N ZINC000575648693 377927089 /nfs/dbraw/zinc/92/70/89/377927089.db2.gz IGLLUPAJFVCSLT-UHFFFAOYSA-N 0 0 255.264 3.488 10 30 CGEERN CCc1cc(C#N)cc(I)c1CC ZINC000575652350 377929527 /nfs/dbraw/zinc/92/95/27/377929527.db2.gz QBUBKGGBXJLQDD-UHFFFAOYSA-N 0 0 285.128 3.288 10 30 CGEERN CCOc1c(CC)cc(OC(F)F)cc1CC#N ZINC000575654734 377931688 /nfs/dbraw/zinc/93/16/88/377931688.db2.gz DYSFQTZXCGRLLE-UHFFFAOYSA-N 0 0 255.264 3.315 10 30 CGEERN N#CCc1cc(C(F)(F)F)c(OC(F)F)cc1O ZINC000575661508 377938116 /nfs/dbraw/zinc/93/81/16/377938116.db2.gz HOBICXBZFWKLDC-UHFFFAOYSA-N 0 0 267.153 3.078 10 30 CGEERN N#CCc1c([N+](=O)[O-])ccc(C(F)(F)F)c1OC(F)F ZINC000575666254 377942966 /nfs/dbraw/zinc/94/29/66/377942966.db2.gz JSUQEKPNEUZWCC-UHFFFAOYSA-N 0 0 296.151 3.281 10 30 CGEERN Cc1cc(OC(F)F)c(C#N)cc1Br ZINC000575682762 377956892 /nfs/dbraw/zinc/95/68/92/377956892.db2.gz BDBBQOLPBRZERN-UHFFFAOYSA-N 0 0 262.053 3.231 10 30 CGEERN COc1c(Br)c(Cl)ccc1CC#N ZINC000575675201 377950783 /nfs/dbraw/zinc/95/07/83/377950783.db2.gz ZPPPXERVPPDKDX-UHFFFAOYSA-N 0 0 260.518 3.177 10 30 CGEERN N#CCc1c(Cl)c([N+](=O)[O-])ccc1Br ZINC000575676409 377951750 /nfs/dbraw/zinc/95/17/50/377951750.db2.gz DVIBDCFBHMSFCB-UHFFFAOYSA-N 0 0 275.489 3.077 10 30 CGEERN N#CCc1ccc(Br)c([N+](=O)[O-])c1Cl ZINC000575679148 377952925 /nfs/dbraw/zinc/95/29/25/377952925.db2.gz ZJEJOBLTVHMDFU-UHFFFAOYSA-N 0 0 275.489 3.077 10 30 CGEERN Cc1ccc(Br)c(OC(F)F)c1CC#N ZINC000575683929 377957659 /nfs/dbraw/zinc/95/76/59/377957659.db2.gz UPOJHCAZMBNPLJ-UHFFFAOYSA-N 0 0 276.080 3.425 10 30 CGEERN Cc1cc(OC(F)F)cc(Br)c1C#N ZINC000575683273 377958126 /nfs/dbraw/zinc/95/81/26/377958126.db2.gz OSXYXIMSRZDEDT-UHFFFAOYSA-N 0 0 262.053 3.231 10 30 CGEERN N#CCc1cc(Br)cc(O)c1C(F)(F)F ZINC000575690014 377965474 /nfs/dbraw/zinc/96/54/74/377965474.db2.gz RMOVKJBJCXPQHH-UHFFFAOYSA-N 0 0 280.043 3.240 10 30 CGEERN N#CCc1cc(OC(F)(F)F)c(O)cc1Br ZINC000575691132 377966466 /nfs/dbraw/zinc/96/64/66/377966466.db2.gz HXGJWIOKNYGOKU-UHFFFAOYSA-N 0 0 296.042 3.119 10 30 CGEERN N#CCc1cc(O)cc(OC(F)(F)F)c1Br ZINC000575691231 377967041 /nfs/dbraw/zinc/96/70/41/377967041.db2.gz JIELCRVBVAWOEI-UHFFFAOYSA-N 0 0 296.042 3.119 10 30 CGEERN CCc1cc(OC)c(CC#N)cc1OC(F)(F)F ZINC000575702696 377976057 /nfs/dbraw/zinc/97/60/57/377976057.db2.gz IHIOKMKGKWYJRH-UHFFFAOYSA-N 0 0 259.227 3.222 10 30 CGEERN CCCCCOc1ccc(/C=C/C(=O)NO)cc1Cl ZINC000584627370 378395342 /nfs/dbraw/zinc/39/53/42/378395342.db2.gz JFUHMNLQKMSMFK-SOFGYWHQSA-N 0 0 283.755 3.428 10 30 CGEERN CC(C)OCC(C)(C)Nc1ccc([N+](=O)[O-])cc1C#N ZINC000396361849 379921604 /nfs/dbraw/zinc/92/16/04/379921604.db2.gz JLVIJANEAIYTJW-UHFFFAOYSA-N 0 0 277.324 3.082 10 30 CGEERN CC(C)OCC(C)(C)Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000396353907 379921990 /nfs/dbraw/zinc/92/19/90/379921990.db2.gz GQXZWWUFSQTPHI-UHFFFAOYSA-N 0 0 277.324 3.082 10 30 CGEERN O=C1/C(=C\c2c(F)cccc2Cl)N2CCC1CC2 ZINC000012368686 296312583 /nfs/dbraw/zinc/31/25/83/296312583.db2.gz ROIJUVPXPUJUTH-MDWZMJQESA-N 0 0 265.715 3.115 10 30 CGEERN N#CC1(C(=O)N2CCC23CCCCC3)CCCCC1 ZINC000366785513 382318277 /nfs/dbraw/zinc/31/82/77/382318277.db2.gz DLDQQHJIHHUGAF-UHFFFAOYSA-N 0 0 260.381 3.396 10 30 CGEERN C[C@@H](C(=O)NC1C2CC3CC(C2)CC1C3)c1cncnc1 ZINC000330276398 533096580 /nfs/dbraw/zinc/09/65/80/533096580.db2.gz MVQCDBRJFYLMES-YVWFZZAJSA-N 0 0 285.391 3.361 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1ccc2c(c1)CCCCC2=O ZINC000329601178 542447920 /nfs/dbraw/zinc/44/79/20/542447920.db2.gz XLXAOFLLRAGMFD-ZBFHGGJFSA-N 0 0 296.370 3.018 10 30 CGEERN O=C(NC[C@@H]1CCCC[C@@H]1O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000329798747 542449293 /nfs/dbraw/zinc/44/92/93/542449293.db2.gz GUKDOTRMWBOHEB-GVRJEKJASA-N 0 0 294.439 3.010 10 30 CGEERN O=C(Nc1cnc2c(c1)CCCC2)[C@@H]1CCCCC(=O)N1 ZINC000329906531 542449342 /nfs/dbraw/zinc/44/93/42/542449342.db2.gz SFZFTANCTJMEKZ-AWEZNQCLSA-N 0 0 287.363 3.448 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)NCCC1=CCCCCC1 ZINC000329858824 542449387 /nfs/dbraw/zinc/44/93/87/542449387.db2.gz OGVPLDNLPGCFIT-LSDHHAIUSA-N 0 0 275.396 3.463 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)c1cccc2ccsc21 ZINC000332913099 542451422 /nfs/dbraw/zinc/45/14/22/542451422.db2.gz MDRIXYGQSVRRET-DGCLKSJQSA-N 0 0 270.357 3.323 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NCc1cc(F)cc(Cl)c1 ZINC000160933783 262305265 /nfs/dbraw/zinc/30/52/65/262305265.db2.gz FIFFMLHYIUVZLA-MFKMUULPSA-N 0 0 252.720 3.261 10 30 CGEERN C/C=C/C(=O)C1=C(C)C[C@H](OC(C)=O)CC1(C)C ZINC000095761159 392244029 /nfs/dbraw/zinc/24/40/29/392244029.db2.gz DXCWYEWUFIWPQN-SYTKJHMZSA-N 0 0 250.338 3.200 10 30 CGEERN [N-]=[N+]=Nc1ccnc2cc(Br)cnc12 ZINC000095348288 296597567 /nfs/dbraw/zinc/59/75/67/296597567.db2.gz XSQFVQZOZVEJQZ-UHFFFAOYSA-N 0 0 250.059 3.334 10 30 CGEERN CC#C[C@H](n1nnc2ccccc21)C1(OC)CCCCC1 ZINC000005283252 170082525 /nfs/dbraw/zinc/08/25/25/170082525.db2.gz NGZUEKBFHMYHKK-INIZCTEOSA-N 0 0 283.375 3.345 10 30 CGEERN COC(=O)c1ccc(/C=N/N2[C@H](C)CCC[C@H]2C)cc1 ZINC000005560546 170113625 /nfs/dbraw/zinc/11/36/25/170113625.db2.gz MCDMYLGBNQDNHS-MDDWGPDPSA-N 0 0 274.364 3.070 10 30 CGEERN Cc1cccc(CN=Nc2nncc3ccccc32)c1 ZINC000005866285 170148830 /nfs/dbraw/zinc/14/88/30/170148830.db2.gz ZAVQZXGETGZWLM-LICLKQGHSA-N 0 0 262.316 3.384 10 30 CGEERN S=c1[nH]nc(NN=Cc2cccc(Cl)c2Cl)[nH]1 ZINC000006328996 170191915 /nfs/dbraw/zinc/19/19/15/170191915.db2.gz BLJYFSGNBHJWSQ-UUILKARUSA-N 0 0 288.163 3.220 10 30 CGEERN O=[N+]([O-])c1ccc(C=NNc2cccc(F)c2)cc1 ZINC000008378239 170333853 /nfs/dbraw/zinc/33/38/53/170333853.db2.gz LUCFUYPVGRDIKF-OQLLNIDSSA-N 0 0 259.240 3.180 10 30 CGEERN S=c1[nH]c(-c2ccccc2)cn1N=Cc1cccnc1 ZINC000012652581 170502392 /nfs/dbraw/zinc/50/23/92/170502392.db2.gz CBNVOALXDDPCQD-LICLKQGHSA-N 0 0 280.356 3.490 10 30 CGEERN C/C(=N\O)c1ccc(NC(=O)c2cccc(C)c2)cc1 ZINC000019482425 170810411 /nfs/dbraw/zinc/81/04/11/170810411.db2.gz QETYCJIJZYRSHD-LDADJPATSA-N 0 0 268.316 3.446 10 30 CGEERN N/C(=N\O)c1cccc(CSc2ccccc2F)c1 ZINC000019847765 170897127 /nfs/dbraw/zinc/89/71/27/170897127.db2.gz IRYYLGQSXAUUBJ-UHFFFAOYSA-N 0 0 276.336 3.213 10 30 CGEERN CC[C@H]1CSC(Nc2ccc(OC)c(Cl)c2)=N1 ZINC000035294427 172105925 /nfs/dbraw/zinc/10/59/25/172105925.db2.gz XAJWHAISNAQPEQ-QMMMGPOBSA-N 0 0 270.785 3.451 10 30 CGEERN CC[C@H]1CSC(Nc2ccc(C#N)c(Cl)c2)=N1 ZINC000035295311 172106908 /nfs/dbraw/zinc/10/69/08/172106908.db2.gz JFHHOVCEHYRTOK-VIFPVBQESA-N 0 0 265.769 3.314 10 30 CGEERN N#C[C@H](NCc1cccs1)c1c(F)cccc1F ZINC000037939556 173878800 /nfs/dbraw/zinc/87/88/00/173878800.db2.gz OLTFSXLQADXVMH-LBPRGKRZSA-N 0 0 264.300 3.381 10 30 CGEERN CC[C@H](C)N[C@H](C#N)c1ccc(OC(F)F)cc1 ZINC000038064673 174075277 /nfs/dbraw/zinc/07/52/77/174075277.db2.gz WVJAESXCIJDPNX-JOYOIKCWSA-N 0 0 254.280 3.241 10 30 CGEERN N#Cc1cccnc1Oc1cccc2c1NCCC2 ZINC000038068081 174079650 /nfs/dbraw/zinc/07/96/50/174079650.db2.gz QGPMSMZGHPGXPK-UHFFFAOYSA-N 0 0 251.289 3.104 10 30 CGEERN Cc1ccc(C(=O)NC2(C#N)CCCCCC2)cc1 ZINC000040221566 174206878 /nfs/dbraw/zinc/20/68/78/174206878.db2.gz FBWFZPKCXYFINW-UHFFFAOYSA-N 0 0 256.349 3.341 10 30 CGEERN C=C(C)Cn1c2cc(C)c(C)cc2n(C(=C)C)c1=O ZINC000040311212 174231079 /nfs/dbraw/zinc/23/10/79/174231079.db2.gz GYTSTQWXYAHNGR-UHFFFAOYSA-N 0 0 256.349 3.487 10 30 CGEERN C=CCNc1ncnc(Oc2ccc(C)c(C)c2)c1N ZINC000040709179 174380664 /nfs/dbraw/zinc/38/06/64/174380664.db2.gz AVBZKDVTMLGJDL-UHFFFAOYSA-N 0 0 270.336 3.066 10 30 CGEERN CC[C@@H](C#N)Oc1ccc(F)cc1Br ZINC000043542660 175064072 /nfs/dbraw/zinc/06/40/72/175064072.db2.gz BGGKROZSHFGVQG-QMMMGPOBSA-N 0 0 258.090 3.269 10 30 CGEERN CCCCCN(C(=O)C1(C#N)CCCC1)C(C)C ZINC000044767054 175249699 /nfs/dbraw/zinc/24/96/99/175249699.db2.gz ZMJJCSFFJYMJQE-UHFFFAOYSA-N 0 0 250.386 3.498 10 30 CGEERN CCN(C(=O)[C@H](C#N)Cc1ccccc1)c1ccccc1 ZINC000044811647 175258163 /nfs/dbraw/zinc/25/81/63/175258163.db2.gz CICYJCSFEXVGCS-INIZCTEOSA-N 0 0 278.355 3.422 10 30 CGEERN OCC#Cc1ccccc1CSc1cccs1 ZINC000049622256 175495477 /nfs/dbraw/zinc/49/54/77/175495477.db2.gz ISXKMTATGNXCNL-UHFFFAOYSA-N 0 0 260.383 3.384 10 30 CGEERN CCc1ccc(C(=O)Nc2ccc(F)c(C#N)c2)o1 ZINC000078479127 177344895 /nfs/dbraw/zinc/34/48/95/177344895.db2.gz JCBBXSHOIGZAKO-UHFFFAOYSA-N 0 0 258.252 3.105 10 30 CGEERN Cc1ccn(-c2ccccc2NC(=O)N2C[C@@H]3CCC[C@@H]32)n1 ZINC000329977913 228004802 /nfs/dbraw/zinc/00/48/02/228004802.db2.gz GOYMMQAYQJUGOU-ZFWWWQNUSA-N 0 0 296.374 3.211 10 30 CGEERN O=C(Nc1cnn(-c2ccccc2)c1)N1CC[C@H]2CCC[C@@H]21 ZINC000330244139 228078097 /nfs/dbraw/zinc/07/80/97/228078097.db2.gz KDCXUKYGHAHOOA-CJNGLKHVSA-N 0 0 296.374 3.292 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NCc1ncc(-c2cccs2)o1 ZINC000333146970 228189538 /nfs/dbraw/zinc/18/95/38/228189538.db2.gz BGKXMGJRTQUCPT-WDEREUQCSA-N 0 0 273.361 3.185 10 30 CGEERN Cc1csc2nc(C)nc(N[C@H]3CCC[C@@H]3C#N)c12 ZINC000407960442 260075659 /nfs/dbraw/zinc/07/56/59/260075659.db2.gz YAJWCNWXIHNACY-MNOVXSKESA-N 0 0 272.377 3.412 10 30 CGEERN C=C(C)CN(C)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000180413574 260101225 /nfs/dbraw/zinc/10/12/25/260101225.db2.gz YNYMKXYAMIRWMQ-QWRGUYRKSA-N 0 0 278.318 3.325 10 30 CGEERN CC1(C)CCCC[C@@H]1CC(=O)N[C@H]1CCC[C@H]1C#N ZINC000407970015 260131243 /nfs/dbraw/zinc/13/12/43/260131243.db2.gz YXNAPBPQKPLRJC-MJBXVCDLSA-N 0 0 262.397 3.401 10 30 CGEERN C=C(Br)C[NH2+][C@@H](C)[C@@H]1COc2ccccc21 ZINC000185603147 262306282 /nfs/dbraw/zinc/30/62/82/262306282.db2.gz DFBWWDPFVRLOSR-JQWIXIFHSA-N 0 0 282.181 3.049 10 30 CGEERN C=CCOc1ccccc1CN[C@H]1CCC[C@@H]1C#N ZINC000061892111 262406103 /nfs/dbraw/zinc/40/61/03/262406103.db2.gz OYSQNHATSMHKKR-HIFRSBDPSA-N 0 0 256.349 3.033 10 30 CGEERN CC(C)(C)c1nc(CN[C@@H]2CCC[C@@H]2C#N)cs1 ZINC000164288594 263270333 /nfs/dbraw/zinc/27/03/33/263270333.db2.gz UPRNPNHRWJRSFL-ZYHUDNBSSA-N 0 0 263.410 3.222 10 30 CGEERN O=C(NC[C@@H]1CCC[C@@H]1O)c1coc(C2CCCCC2)n1 ZINC000328743985 263852863 /nfs/dbraw/zinc/85/28/63/263852863.db2.gz NSYGXGHASOVGPQ-JSGCOSHPSA-N 0 0 292.379 3.188 10 30 CGEERN C=C1CCCc2c1ccc1c2C(=O)C(=O)C2=C1OC[C@@H]2C ZINC000014591288 275420490 /nfs/dbraw/zinc/42/04/90/275420490.db2.gz UXXYCZFYFKWTPQ-JTQLQIEISA-N 0 0 280.323 3.179 10 30 biogenic CGEERN CC(C)CC[C@@](C)(O)C#C[C@](C)(O)CCC(C)C ZINC000005759205 278790430 /nfs/dbraw/zinc/79/04/30/278790430.db2.gz RHRRUYIZUBAQTQ-HZPDHXFCSA-N 0 0 254.414 3.364 10 30 CGEERN N#Cc1ccc(CC(=O)N[C@H]2CCCc3ccccc32)cc1 ZINC000194707301 279515374 /nfs/dbraw/zinc/51/53/74/279515374.db2.gz HULMFBQHPPEQGM-SFHVURJKSA-N 0 0 290.366 3.295 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)N1CCCC12CCCCC2 ZINC000329607222 303159519 /nfs/dbraw/zinc/15/95/19/303159519.db2.gz CIKHJFYIQPWDSU-UONOGXRCSA-N 0 0 275.396 3.391 10 30 CGEERN O=C1NC(=Cc2ccc(-c3ccc(F)cc3)o2)C(=O)S1 ZINC000263619078 328156303 /nfs/dbraw/zinc/15/63/03/328156303.db2.gz WUCHDRTWQXWSJJ-XFFZJAGNSA-N 0 0 289.287 3.410 10 30 CGEERN C=C(C)[C@H](NC(=O)N[C@H]1C[C@H]1C)c1ccc(F)c(F)c1 ZINC000248507913 327489017 /nfs/dbraw/zinc/48/90/17/327489017.db2.gz ZDTAJRGUWBTWQO-IIMNLJJBSA-N 0 0 280.318 3.290 10 30 CGEERN C=CCC[C@@H](CCC)[NH2+]C[C@H](CC(C)C)C(=O)[O-] ZINC000263019978 330038897 /nfs/dbraw/zinc/03/88/97/330038897.db2.gz DWIPSSMTVWIEED-UONOGXRCSA-N 0 0 255.402 3.458 10 30 CGEERN C[C@H](NC(=O)N1CCC(C#N)CC1)c1cccc(Cl)c1 ZINC000057989475 330380348 /nfs/dbraw/zinc/38/03/48/330380348.db2.gz QEZDTLFIMSPHBX-NSHDSACASA-N 0 0 291.782 3.346 10 30 CGEERN COCCNc1ccc(-c2ccc(C#N)cc2)cc1C#N ZINC000536954509 330382876 /nfs/dbraw/zinc/38/28/76/330382876.db2.gz MFLRZEQIOXECLP-UHFFFAOYSA-N 0 0 277.327 3.155 10 30 CGEERN CC(C)(C)OC(=O)NCC1CCC(CC#N)CC1 ZINC000198879026 333181417 /nfs/dbraw/zinc/18/14/17/333181417.db2.gz DSHSAPVSNPCWLW-UHFFFAOYSA-N 0 0 252.358 3.231 10 30 CGEERN CCC[C@H](N[C@H]1CCC[C@@H](C#N)C1)C(=O)OC(C)(C)C ZINC000248877494 334320348 /nfs/dbraw/zinc/32/03/48/334320348.db2.gz RHIDJTZOKIXKPV-RDBSUJKOSA-N 0 0 280.412 3.169 10 30 CGEERN CCN[C@](C)(C#N)CCCOc1cc(F)cc(F)c1 ZINC000054933808 520225621 /nfs/dbraw/zinc/22/56/21/520225621.db2.gz YAVRJXPHRIPHBG-AWEZNQCLSA-N 0 0 268.307 3.016 10 30 CGEERN CCNc1ccc(Cl)c(CN(CCC#N)C(C)C)n1 ZINC000061638798 520309133 /nfs/dbraw/zinc/30/91/33/520309133.db2.gz HFZUFWMEFKGGBE-UHFFFAOYSA-N 0 0 280.803 3.291 10 30 CGEERN CC[C@@H](C)N(CC)c1cccc(Cl)c1/C(N)=N/O ZINC000052904311 522084382 /nfs/dbraw/zinc/08/43/82/522084382.db2.gz BFBBEVBCIJQHEC-SECBINFHSA-N 0 0 269.776 3.059 10 30 CGEERN Cc1noc(C2CC2)c1NC(=O)N1CC[C@H]2CCC[C@H]21 ZINC000330248202 534385716 /nfs/dbraw/zinc/38/57/16/534385716.db2.gz MCDXPOVHIGJLKG-ZYHUDNBSSA-N 0 0 275.352 3.280 10 30 CGEERN C=CC[C@@H](CO)NC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000183828353 519099716 /nfs/dbraw/zinc/09/97/16/519099716.db2.gz SIYWUWQUWPZCPP-GUYCJALGSA-N 0 0 298.386 3.137 10 30 CGEERN CCCCN(CC)c1nc2c(cc1C#N)CCCC2 ZINC000049957031 520484139 /nfs/dbraw/zinc/48/41/39/520484139.db2.gz UGTBISONXWZSRR-UHFFFAOYSA-N 0 0 257.381 3.458 10 30 CGEERN Cc1cc(C)c(C#N)c(OCCc2cccs2)n1 ZINC000049585398 524215580 /nfs/dbraw/zinc/21/55/80/524215580.db2.gz QNHRQKDFFAQZOU-UHFFFAOYSA-N 0 0 258.346 3.253 10 30 CGEERN C[C@@H]1CCCN(c2ccc(/C(N)=N/O)cc2Cl)[C@@H]1C ZINC000062794707 524245837 /nfs/dbraw/zinc/24/58/37/524245837.db2.gz YKBJFGJVDXCPTC-NXEZZACHSA-N 0 0 281.787 3.059 10 30 CGEERN C[C@H](C=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000066054923 526217251 /nfs/dbraw/zinc/21/72/51/526217251.db2.gz YEUASEYJCPDLQY-YPMHNXCESA-N 0 0 263.337 3.087 10 30 CGEERN C[C@H](CC#N)N(C)CC(=O)c1ccc(Cl)cc1Cl ZINC000063087542 526217766 /nfs/dbraw/zinc/21/77/66/526217766.db2.gz SWBSHYFJNDIRGL-SECBINFHSA-N 0 0 285.174 3.410 10 30 CGEERN C[C@H]1CCCC[C@H]1Oc1ccc(/C(N)=N/O)c(Cl)c1 ZINC000061856256 526262970 /nfs/dbraw/zinc/26/29/70/526262970.db2.gz UBVQVIWAXGDPAG-TVQRCGJNSA-N 0 0 282.771 3.392 10 30 CGEERN N#C[C@@H](C(=O)c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000052902719 526493366 /nfs/dbraw/zinc/49/33/66/526493366.db2.gz XIEPVFPINMZAHC-SNVBAGLBSA-N 0 0 272.285 3.146 10 30 CGEERN N#Cc1ccc(-c2ccc(OCCC=O)cc2)cc1 ZINC000062545734 526582691 /nfs/dbraw/zinc/58/26/91/526582691.db2.gz CBEUWOPHNFFAIY-UHFFFAOYSA-N 0 0 251.285 3.193 10 30 CGEERN C=CCSCCNC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109094748 527000139 /nfs/dbraw/zinc/00/01/39/527000139.db2.gz KILOGECAENYBBB-NEPJUHHUSA-N 0 0 297.370 3.104 10 30 CGEERN CCC1(C(=O)NC[C@@H]2CCO[C@H]2c2ccnn2C)CCC1 ZINC000329152943 528979545 /nfs/dbraw/zinc/97/95/45/528979545.db2.gz AXIOQSDXGMAHNK-GXTWGEPZSA-N 0 0 291.395 3.035 10 30 CGEERN CCC[C@@H](C#C[Si](C)(C)C)N[S@@](=O)C(C)(C)C ZINC000170012563 566872094 /nfs/dbraw/zinc/87/20/94/566872094.db2.gz JPNYDMZMKCNGAK-LRDDRELGSA-N 0 0 273.518 3.088 10 30 CGEERN CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H](S)C(C)(C)[C@@H]21 ZINC000757159508 617821627 /nfs/dbraw/zinc/82/16/27/617821627.db2.gz CTAPQVNNMHSNGV-HBNTYKKESA-N 0 0 271.426 3.340 10 30 CGEERN COc1ccc(C[C@@H](C)OC(=O)c2ccc(C#N)cc2)cc1 ZINC000077562855 618805445 /nfs/dbraw/zinc/80/54/45/618805445.db2.gz VRHLRIMSTLWMSW-CYBMUJFWSA-N 0 0 295.338 3.355 10 30 CGEERN C#CCN(C(=O)N[C@@H](C)c1cccs1)C1CCCC1 ZINC000177312788 618815376 /nfs/dbraw/zinc/81/53/76/618815376.db2.gz QJEWUKJLKSPPBL-LBPRGKRZSA-N 0 0 276.405 3.397 10 30 CGEERN C#CCN(C(=O)N[C@H](C)c1cccs1)C1CCCC1 ZINC000177312800 618815440 /nfs/dbraw/zinc/81/54/40/618815440.db2.gz QJEWUKJLKSPPBL-GFCCVEGCSA-N 0 0 276.405 3.397 10 30 CGEERN C[C@@H](OC(=O)Cc1ccccc1Cl)C(C)(C)C#N ZINC000178810540 619397072 /nfs/dbraw/zinc/39/70/72/619397072.db2.gz CEXXVBNUVOSXDL-SNVBAGLBSA-N 0 0 265.740 3.364 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NCc1cncc2ccccc21 ZINC000164967186 622852269 /nfs/dbraw/zinc/85/22/69/622852269.db2.gz AYPXNFWLQGNTMO-LRDDRELGSA-N 0 0 251.333 3.017 10 30 CGEERN N#Cc1cnc2ccc(F)cc2c1NCc1nccs1 ZINC000223150123 622855024 /nfs/dbraw/zinc/85/50/24/622855024.db2.gz UNZVABKLHXIONL-UHFFFAOYSA-N 0 0 284.319 3.314 10 30 CGEERN COc1cccc2c1ncc(C#N)c2N1CCCCCC1 ZINC000223154112 622855076 /nfs/dbraw/zinc/85/50/76/622855076.db2.gz IAKGTNBMQFUDSD-UHFFFAOYSA-N 0 0 281.359 3.495 10 30 CGEERN N#Cc1ccc(N2CC[C@]3(O)CCCC[C@H]3C2)c(Cl)c1 ZINC000227373105 623018617 /nfs/dbraw/zinc/01/86/17/623018617.db2.gz RVADURBWGMVZOH-XJKSGUPXSA-N 0 0 290.794 3.343 10 30 CGEERN C=CCC[C@@H](OC(=O)C1CCC(C(=O)OC)CC1)C1CC1 ZINC000181313679 624845178 /nfs/dbraw/zinc/84/51/78/624845178.db2.gz YVKCLCYJLGBRSD-YMAMQOFZSA-N 0 0 294.391 3.254 10 30 CGEERN Cc1cc(C(=O)N[C@H](C)C#N)c(C)n1[C@H](C)c1ccccc1 ZINC000125409177 634697962 /nfs/dbraw/zinc/69/79/62/634697962.db2.gz QFBOUOUKCHKRKN-TZMCWYRMSA-N 0 0 295.386 3.356 10 30 CGEERN C=CCCC(=O)O[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000119614215 629668388 /nfs/dbraw/zinc/66/83/88/629668388.db2.gz PVVKNCHSHMKGFK-OLZOCXBDSA-N 0 0 252.354 3.234 10 30 CGEERN SCc1ncc(Br)cc1Br ZINC000757160985 630587846 /nfs/dbraw/zinc/58/78/46/630587846.db2.gz VDFZFTXDARNLFW-UHFFFAOYSA-N 0 0 282.988 3.036 10 30 CGEERN C#CC[C@H](OC(=O)c1ccc(F)c(F)c1)c1ccccn1 ZINC000105549128 635920558 /nfs/dbraw/zinc/92/05/58/635920558.db2.gz HJURIVPPLATLFL-HNNXBMFYSA-N 0 0 287.265 3.281 10 30 CGEERN C#CCCCOC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109185267 636990428 /nfs/dbraw/zinc/99/04/28/636990428.db2.gz ZGBHOTPLWSBUMH-RYUDHWBXSA-N 0 0 264.271 3.025 10 30 CGEERN C=C(Br)CNC(=O)N1CCC[C@H]1c1ccco1 ZINC000116424961 639042522 /nfs/dbraw/zinc/04/25/22/639042522.db2.gz WBIJTTIPPXMQQH-JTQLQIEISA-N 0 0 299.168 3.035 10 30 CGEERN C#CCCCCNC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000159796942 640069385 /nfs/dbraw/zinc/06/93/85/640069385.db2.gz GRCSFLZZOKNEAT-RYUDHWBXSA-N 0 0 290.329 3.210 10 30 CGEERN C[C@@H](OC(=O)[C@H](C)Oc1ccccc1C#N)C1CCC1 ZINC000083149723 640596097 /nfs/dbraw/zinc/59/60/97/640596097.db2.gz WDQDAENAPBMLDY-NEPJUHHUSA-N 0 0 273.332 3.057 10 30 CGEERN C=CCC[C@@H](C)OC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000089320009 640639967 /nfs/dbraw/zinc/63/99/67/640639967.db2.gz SBIWSWRZFRZETE-CHWSQXEVSA-N 0 0 297.395 3.141 10 30 CGEERN Cc1c(C(=O)C=Cc2c[nH]c(-c3ccccc3)n2)cnn1C ZINC000588397377 799687303 /nfs/dbraw/zinc/68/73/03/799687303.db2.gz YAZXJIPROPXTSV-HJWRWDBZSA-N 0 0 292.342 3.015 10 30 CGEERN C[C@H](ON=C1CCCOCC1)c1nc(C(C)(C)C)no1 ZINC000588398462 799688118 /nfs/dbraw/zinc/68/81/18/799688118.db2.gz GJTWRWCBGMHHBT-JTQLQIEISA-N 0 0 281.356 3.001 10 30 CGEERN COc1ccc(O)cc1C(=O)/C=C\c1ccc(O)c(F)c1 ZINC000588409668 799690359 /nfs/dbraw/zinc/69/03/59/799690359.db2.gz JMRJVFQQWZOUOP-DJWKRKHSSA-N 0 0 288.274 3.142 10 30 CGEERN COc1ccc(/C=N/O)cc1OCc1ccc(C)cc1 ZINC000103845236 230393345 /nfs/dbraw/zinc/39/33/45/230393345.db2.gz RWWIHTGYPWBPKR-LICLKQGHSA-N 0 0 271.316 3.391 10 30 CGEERN FC(F)(F)C(F)(F)OC(F)(F)C(F)(F)F ZINC000095793401 185027957 /nfs/dbraw/zinc/02/79/57/185027957.db2.gz ORNGPPZBMMHKPM-UHFFFAOYSA-N 0 0 254.023 3.313 10 30 CGEERN N#Cc1ncc(Br)c2ccc(F)cc12 ZINC000082767452 178281893 /nfs/dbraw/zinc/28/18/93/178281893.db2.gz JFEPVNDZRZWPEW-UHFFFAOYSA-N 0 0 251.058 3.008 10 30 CGEERN N#Cc1ccc(Cl)cc1N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000128324124 136387284 /nfs/dbraw/zinc/38/72/84/136387284.db2.gz LPSUOMXJXNMSNA-CJNGLKHVSA-N 0 0 290.794 3.343 10 30 CGEERN N#Cc1c(Cl)c(C#N)c(Cl)c(C#N)c1Cl ZINC000003642856 344859431 /nfs/dbraw/zinc/85/94/31/344859431.db2.gz LBLQEGBXQYLSEP-UHFFFAOYSA-N 0 0 256.479 3.262 10 30 CGEERN CC(=O)ON(C(C)=O)c1ccc(Oc2ccccc2)cc1 ZINC000005159909 344861228 /nfs/dbraw/zinc/86/12/28/344861228.db2.gz AXPFYEJZVXEOHK-UHFFFAOYSA-N 0 0 285.299 3.310 10 30 CGEERN C=C(CCCCCC(=O)OC)CCCCC(=O)OC ZINC000039023109 344957255 /nfs/dbraw/zinc/95/72/55/344957255.db2.gz UYZPOVJZLIDFLF-UHFFFAOYSA-N 0 0 270.369 3.400 10 30 CGEERN C[C@@H](c1ccccc1)n1c(N)c(C#N)c2c1CCCC2 ZINC000039022788 344957329 /nfs/dbraw/zinc/95/73/29/344957329.db2.gz RUYZFCWGFUUEIO-LBPRGKRZSA-N 0 0 265.360 3.430 10 30 CGEERN CC(C)[C@H](C#N)Nc1cccc(Br)c1 ZINC000041049469 344966584 /nfs/dbraw/zinc/96/65/84/344966584.db2.gz RWEWVHIBSUASHP-NSHDSACASA-N 0 0 253.143 3.409 10 30 CGEERN CC(C)[C@@H](C#N)C(=O)c1ccc(Br)s1 ZINC000041045617 344966756 /nfs/dbraw/zinc/96/67/56/344966756.db2.gz LLVZHABHSWCAGT-SSDOTTSWSA-N 0 0 272.167 3.489 10 30 CGEERN COc1ccc(Nc2ccc(C#N)cn2)cc1OC(F)F ZINC000042848597 344988679 /nfs/dbraw/zinc/98/86/79/344988679.db2.gz BQGWHPMKBFTQSS-UHFFFAOYSA-N 0 0 291.257 3.307 10 30 CGEERN CC(C)(C)OC(=O)NCCCCCCCCC=O ZINC000059025979 345205983 /nfs/dbraw/zinc/20/59/83/345205983.db2.gz ORHUSMLNPOLNLC-UHFFFAOYSA-N 0 0 257.374 3.441 10 30 CGEERN C[C@@H](CNc1ccc([N+](=O)[O-])cc1C#N)Nc1ccccc1 ZINC000084927951 345743829 /nfs/dbraw/zinc/74/38/29/345743829.db2.gz RIHWEWJPCIUYEJ-LBPRGKRZSA-N 0 0 296.330 3.379 10 30 CGEERN CCC(=O)N(Cc1ccc(O)cc1)c1cc(F)cc(C#N)c1 ZINC000114873091 345967460 /nfs/dbraw/zinc/96/74/60/345967460.db2.gz KRSLLYMFRSRFKM-UHFFFAOYSA-N 0 0 298.317 3.346 10 30 CGEERN Cc1cc(C)c(NCCC#N)c(Br)c1 ZINC000159801240 346169450 /nfs/dbraw/zinc/16/94/50/346169450.db2.gz VXJLOWFRGOBVIL-UHFFFAOYSA-N 0 0 253.143 3.392 10 30 CGEERN Cn1cc(C(F)(F)F)c(C(F)(F)C(F)(F)F)n1 ZINC000226184794 346306043 /nfs/dbraw/zinc/30/60/43/346306043.db2.gz JIFSQOOKYJPGKL-UHFFFAOYSA-N 0 0 268.107 3.093 10 30 CGEERN C#C[C@@H](NCC)c1ccc(Cl)cc1Br ZINC000233577797 346330091 /nfs/dbraw/zinc/33/00/91/346330091.db2.gz ZHNPEVCXKGKRTC-LLVKDONJSA-N 0 0 272.573 3.386 10 30 CGEERN CC[C@](C)(C#N)[C@H](O)c1occc1Br ZINC000234094192 346330683 /nfs/dbraw/zinc/33/06/83/346330683.db2.gz GRYKUBAJJNPGNR-NXEZZACHSA-N 0 0 258.115 3.015 10 30 CGEERN CC#CCCNc1c(F)cccc1Br ZINC000231330354 346323052 /nfs/dbraw/zinc/32/30/52/346323052.db2.gz OSUMBKIZQVKFON-UHFFFAOYSA-N 0 0 256.118 3.414 10 30 CGEERN CC[C@@](C)(C#N)[C@@H](O)c1cscc1Br ZINC000306156871 346451256 /nfs/dbraw/zinc/45/12/56/346451256.db2.gz LKDKHAXYDVSKNQ-UWVGGRQHSA-N 0 0 274.183 3.484 10 30 CGEERN N#CC1(Cc2ccc(F)c(Br)c2)CC1 ZINC000306368391 346453837 /nfs/dbraw/zinc/45/38/37/346453837.db2.gz KJLRRCZZRSJEEV-UHFFFAOYSA-N 0 0 254.102 3.434 10 30 CGEERN C=C(Cl)CNc1cccc(Br)c1N ZINC000307405184 346462232 /nfs/dbraw/zinc/46/22/32/346462232.db2.gz JTMOYFIDSXTGRY-UHFFFAOYSA-N 0 0 261.550 3.196 10 30 CGEERN O=C1C=Cc2ccccc2C1=NNc1cccc([N+](=O)[O-])c1 ZINC000100209929 185707872 /nfs/dbraw/zinc/70/78/72/185707872.db2.gz IKXNXTZPTLRUIB-FBMGVBCBSA-N 0 0 293.282 3.007 10 30 CGEERN O=C(c1cc(F)c(F)c(F)c1)C(F)(F)C(F)F ZINC000382689431 346561047 /nfs/dbraw/zinc/56/10/47/346561047.db2.gz HQBGODIUCNWUCZ-UHFFFAOYSA-N 0 0 260.108 3.187 10 30 CGEERN CCOC(=O)CCO/N=C(\C)c1ccc(Cl)cc1 ZINC000584650131 346704574 /nfs/dbraw/zinc/70/45/74/346704574.db2.gz GINNQGBKCVPAAG-XNTDXEJSSA-N 0 0 269.728 3.034 10 30 CGEERN CNC(=O)c1ccc(N[C@@]2(C#N)CCC[C@@H](C)C2)cc1F ZINC000584655563 346704987 /nfs/dbraw/zinc/70/49/87/346704987.db2.gz IEPBQSDCNSDNGG-BZNIZROVSA-N 0 0 289.354 3.070 10 30 CGEERN N#CCCNC(=O)[C@H](c1ccccc1)C1CCCCC1 ZINC000584593897 346686177 /nfs/dbraw/zinc/68/61/77/346686177.db2.gz HTEDUVKCCZITTQ-MRXNPFEDSA-N 0 0 270.376 3.380 10 30 CGEERN CSc1ccc(C#C[C@H](O)c2ccc(O)cc2)cc1 ZINC000584595981 346687866 /nfs/dbraw/zinc/68/78/66/346687866.db2.gz GOWVPGTWGLXBLD-INIZCTEOSA-N 0 0 270.353 3.199 10 30 CGEERN N#Cc1ccccc1C#C[C@](O)(c1ccccc1)C1(C#N)CC1 ZINC000584598665 346689041 /nfs/dbraw/zinc/68/90/41/346689041.db2.gz MPSJLAIOPGCXFI-FQEVSTJZSA-N 0 0 298.345 3.101 10 30 CGEERN C[C@@H](O)C(F)(F)[C@H](F)C(F)(F)C(F)(F)C(F)(F)F ZINC000584626684 346697818 /nfs/dbraw/zinc/69/78/18/346697818.db2.gz UBEKWJSJCWEAHM-GBXIJSLDSA-N 0 0 296.104 3.174 10 30 CGEERN CCSc1sc(=O)sc1SCCC#N ZINC000584633443 346699908 /nfs/dbraw/zinc/69/99/08/346699908.db2.gz JYBSBGKKGZPPIO-UHFFFAOYSA-N 0 0 263.434 3.288 10 30 CGEERN CCCCc1ccc(C(=O)N[C@H]2CCC[C@H]2C#N)cc1 ZINC000610496656 348385185 /nfs/dbraw/zinc/38/51/85/348385185.db2.gz HUYPMFPRLAMGOC-HOTGVXAUSA-N 0 0 270.376 3.451 10 30 CGEERN N#CCc1cc(OC(F)F)ccc1OC(F)(F)F ZINC000616576624 348834418 /nfs/dbraw/zinc/83/44/18/348834418.db2.gz WHVQVXUNPLTNMA-UHFFFAOYSA-N 0 0 267.153 3.253 10 30 CGEERN CCOC(=O)N1CCC[C@H](c2ccccc2C#N)CC1 ZINC000616626768 348850911 /nfs/dbraw/zinc/85/09/11/348850911.db2.gz BBWOLBSXXDFOKZ-ZDUSSCGKSA-N 0 0 272.348 3.284 10 30 CGEERN COC(=O)N1C[C@@H](c2ccccc2C#N)Cc2ccccc21 ZINC000616670566 348861917 /nfs/dbraw/zinc/86/19/17/348861917.db2.gz IOOZNHPGZWEUTF-HNNXBMFYSA-N 0 0 292.338 3.471 10 30 CGEERN COC(=O)N1C[C@@H](c2ccc(C#N)cc2)Nc2ccccc21 ZINC000616683685 348866468 /nfs/dbraw/zinc/86/64/68/348866468.db2.gz CSJUJZBGVLWHLF-HNNXBMFYSA-N 0 0 293.326 3.298 10 30 CGEERN CCCCCCC1=CC(=O)CC[C@@H]1C(=O)OCC ZINC000111900199 186464286 /nfs/dbraw/zinc/46/42/86/186464286.db2.gz VAFVKZPVSZARCO-AWEZNQCLSA-N 0 0 252.354 3.425 10 30 CGEERN C=CCCC(=O)N[C@H](CC(=O)OCC)c1ccccc1C ZINC000173821174 188869334 /nfs/dbraw/zinc/86/93/34/188869334.db2.gz HDOYJOHEGWONGG-OAHLLOKOSA-N 0 0 289.375 3.072 10 30 CGEERN N#Cc1ccc(CN2CCO[C@@H]3CCCC[C@H]32)c(Cl)c1 ZINC000228719208 283141763 /nfs/dbraw/zinc/14/17/63/283141763.db2.gz AINIGKWPNVOHGP-HZPDHXFCSA-N 0 0 290.794 3.355 10 30 CGEERN N#Cc1cccc(CN2CCC[C@H](O)c3ccccc32)c1 ZINC000168589124 283205697 /nfs/dbraw/zinc/20/56/97/283205697.db2.gz ZRAHHKDFJWXUIU-SFHVURJKSA-N 0 0 278.355 3.392 10 30 CGEERN C[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000117649773 138366450 /nfs/dbraw/zinc/36/64/50/138366450.db2.gz VIDSZVZEHCFPID-QLJPJBMISA-N 0 0 296.301 3.201 10 30 CGEERN N#Cc1nc(N2CCC[C@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000302717542 283249621 /nfs/dbraw/zinc/24/96/21/283249621.db2.gz KAFQLIGHJOKEKO-DGCLKSJQSA-N 0 0 286.335 3.020 10 30 CGEERN C[C@H]1SCCN(c2ccc(C#N)cc2F)[C@@H]1C ZINC000134772024 291262192 /nfs/dbraw/zinc/26/21/92/291262192.db2.gz OPZUQFDCBBUBEN-NXEZZACHSA-N 0 0 250.342 3.028 10 30 CGEERN N#Cc1cc(N[C@H](CO)c2ccccc2)c2ccccc2n1 ZINC000301370068 200988392 /nfs/dbraw/zinc/98/83/92/200988392.db2.gz UWFVAZARBFKEOK-GOSISDBHSA-N 0 0 289.338 3.252 10 30 CGEERN COC(=O)Nc1ccc(Nc2cc(C)nc(C)c2C#N)cc1 ZINC000301770652 201186742 /nfs/dbraw/zinc/18/67/42/201186742.db2.gz JADHYYIGUVIVDE-UHFFFAOYSA-N 0 0 296.330 3.492 10 30 CGEERN COc1ccc(Sc2cccc(C#N)n2)cc1OC ZINC000301816568 201214391 /nfs/dbraw/zinc/21/43/91/201214391.db2.gz DSNHDMGSOVWMGS-UHFFFAOYSA-N 0 0 272.329 3.122 10 30 CGEERN CC(=O)c1ccc(C#N)cc1NCc1ccc([N+](=O)[O-])cc1 ZINC000302090287 201340351 /nfs/dbraw/zinc/34/03/51/201340351.db2.gz GOFNJEJFZUPOGF-UHFFFAOYSA-N 0 0 295.298 3.281 10 30 CGEERN O=C(Cc1cncnc1)N[C@@H]1CCCc2cc(F)ccc21 ZINC000329564002 283710602 /nfs/dbraw/zinc/71/06/02/283710602.db2.gz JZRAUDKHBOYLIW-OAHLLOKOSA-N 0 0 285.322 3.192 10 30 CGEERN CC(=O)N(C)c1ccc(/N=C\c2ccc(N(C)C)cc2)cc1 ZINC000000498291 368380322 /nfs/dbraw/zinc/38/03/22/368380322.db2.gz UDEQJXSXLDKHEK-UYRXBGFRSA-N 0 0 295.386 3.486 10 30 CGEERN Cc1ccc(NC(=O)[C@@H](C)Oc2ccccc2C#N)cc1 ZINC000003445186 368507479 /nfs/dbraw/zinc/50/74/79/368507479.db2.gz LDIDNAIYXDLRCX-CYBMUJFWSA-N 0 0 280.327 3.273 10 30 CGEERN C=C1CC/C(=N\O)[C@](C)(NO)CC[C@H]2[C@H]1CC2(C)C ZINC000004469005 368546393 /nfs/dbraw/zinc/54/63/93/368546393.db2.gz OVUMAORDFYWCGK-RFRBJRJISA-N 0 0 266.385 3.347 10 30 CGEERN C=CCc1c2nccnc2[nH]c1-c1ccc(OC)cc1 ZINC000013492965 368654964 /nfs/dbraw/zinc/65/49/64/368654964.db2.gz RYNPAHUWYURCCW-UHFFFAOYSA-N 0 0 265.316 3.362 10 30 CGEERN Cc1ccc([C@H]2C[C@H](C)CCN2c2cnc(C#N)cn2)o1 ZINC000125996946 370942903 /nfs/dbraw/zinc/94/29/03/370942903.db2.gz NDSHKNPSRWNMFO-BXUZGUMPSA-N 0 0 282.347 3.227 10 30 CGEERN C[C@@H]([NH2+]CCc1cccs1)c1cc(C#N)ccc1[O-] ZINC000026668055 368863003 /nfs/dbraw/zinc/86/30/03/368863003.db2.gz QWDLNUVIGBIEMU-LLVKDONJSA-N 0 0 272.373 3.219 10 30 CGEERN CCCCOc1ccc2cc(C(=O)N(C)O)ccc2c1 ZINC000028104778 368881218 /nfs/dbraw/zinc/88/12/18/368881218.db2.gz LZMGDXBTWDHVCR-UHFFFAOYSA-N 0 0 273.332 3.480 10 30 CGEERN N#Cc1ccccc1NC(=O)CSCc1ccco1 ZINC000034936617 368980669 /nfs/dbraw/zinc/98/06/69/368980669.db2.gz SRMMRBYSYBQNBH-UHFFFAOYSA-N 0 0 272.329 3.023 10 30 CGEERN C[C@@H](SCc1ccco1)C(=O)Nc1ccc(C#N)cc1 ZINC000034936616 368980710 /nfs/dbraw/zinc/98/07/10/368980710.db2.gz YJZCHTYGSMXJQM-LLVKDONJSA-N 0 0 286.356 3.412 10 30 CGEERN O=C(/C=C\c1ccc2c(c1)OCO2)c1ccccc1[N+](=O)[O-] ZINC000033376689 368963958 /nfs/dbraw/zinc/96/39/58/368963958.db2.gz JBPHVKCHXMKECM-ALCCZGGFSA-N 0 0 297.266 3.220 10 30 CGEERN C[C@H]1CN=C(Nc2cccc(Br)c2)S1 ZINC000035083668 368996649 /nfs/dbraw/zinc/99/66/49/368996649.db2.gz GPYPFYKIZKZAAG-ZETCQYMHSA-N 0 0 271.183 3.162 10 30 CGEERN Cc1ccc(C#N)cc1NC(=O)N[C@H]1COc2ccccc21 ZINC000058647578 369572860 /nfs/dbraw/zinc/57/28/60/369572860.db2.gz NDCJUBKTJVTSSH-HNNXBMFYSA-N 0 0 293.326 3.122 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)c1cc(Cl)ccc1Cl ZINC000061888643 369609940 /nfs/dbraw/zinc/60/99/40/369609940.db2.gz NWQNEDBGMMBFKQ-PRHODGIISA-N 0 0 283.158 3.415 10 30 CGEERN O/N=C(\CCc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000101266928 370288056 /nfs/dbraw/zinc/28/80/56/370288056.db2.gz AALSXVYLEMDJDV-OBGWFSINSA-N 0 0 283.327 3.269 10 30 CGEERN Cc1cc(N[C@H](C)c2cccc(O)c2)c(C#N)c(C)n1 ZINC000160632838 372264183 /nfs/dbraw/zinc/26/41/83/372264183.db2.gz ALEFWLNLLGEVPD-LLVKDONJSA-N 0 0 267.332 3.449 10 30 CGEERN C=CCCC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000173946603 373221610 /nfs/dbraw/zinc/22/16/10/373221610.db2.gz UFLZPNPVGDXPBR-ZDUSSCGKSA-N 0 0 269.348 3.016 10 30 CGEERN CCn1c2ccccc2nc1[C@H](C)NCc1ccc(C#N)o1 ZINC000174411035 373310948 /nfs/dbraw/zinc/31/09/48/373310948.db2.gz JYRIMYBXKQQSJD-LBPRGKRZSA-N 0 0 294.358 3.372 10 30 CGEERN CC1(C)CCCC[C@@H]1Nc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000300175191 373619661 /nfs/dbraw/zinc/61/96/61/373619661.db2.gz YRGOWXSEHNCJNF-LBPRGKRZSA-N 0 0 274.324 3.242 10 30 CGEERN CCC[C@@H](O)CNc1cc(C#N)c2cc(Cl)ccc2n1 ZINC000301291862 373732644 /nfs/dbraw/zinc/73/26/44/373732644.db2.gz UXVFRBMLVRWNKN-GFCCVEGCSA-N 0 0 289.766 3.333 10 30 CGEERN Cc1nc(CNc2cc(C)nc(C)c2C#N)c(C)s1 ZINC000301837738 373809099 /nfs/dbraw/zinc/80/90/99/373809099.db2.gz MXGGMAZEDOWGBV-UHFFFAOYSA-N 0 0 272.377 3.256 10 30 CGEERN CC(C)[C@H](O)C1(CNC(=O)C[C@@H]2CCCCC(=O)N2)CC1 ZINC000328819695 374386111 /nfs/dbraw/zinc/38/61/11/374386111.db2.gz ONEYSPMERSFJBO-WFASDCNBSA-N 0 0 296.411 3.029 10 30 CGEERN C=C(C)C[C@@H](C)C(=O)N[C@H](C)c1ccc(OC)c(OC)c1 ZINC000185187486 374604804 /nfs/dbraw/zinc/60/48/04/374604804.db2.gz JERSQXDDUFRAII-CHWSQXEVSA-N 0 0 291.391 3.483 10 30 CGEERN C=CCOc1ccc(COC(=O)[C@H]2CCCO[C@@H]2C)cc1 ZINC000192294786 375727452 /nfs/dbraw/zinc/72/74/52/375727452.db2.gz FYJWNEVAAGQJTM-CJNGLKHVSA-N 0 0 290.359 3.110 10 30 CGEERN Cc1cc(C#N)cc(N2CCc3sccc3[C@H]2C)n1 ZINC000161021120 291668421 /nfs/dbraw/zinc/66/84/21/291668421.db2.gz SAPWQMAFWXZFOT-LLVKDONJSA-N 0 0 269.373 3.447 10 30 CGEERN N#Cc1cc(C(=O)C(F)(F)C(F)(F)F)ccc1F ZINC000575242905 377764665 /nfs/dbraw/zinc/76/46/65/377764665.db2.gz BCQWMTIMNYCGSN-UHFFFAOYSA-N 0 0 267.128 3.078 10 30 CGEERN CCOC(=O)Cc1cc(CC)c(C(F)F)cc1C#N ZINC000575389979 377898357 /nfs/dbraw/zinc/89/83/57/377898357.db2.gz XYPYPPPANCSOAA-UHFFFAOYSA-N 0 0 267.275 3.164 10 30 CGEERN COC(=O)Cc1ccc(C#N)c(F)c1SC(F)(F)F ZINC000575390710 377900299 /nfs/dbraw/zinc/90/02/99/377900299.db2.gz SPJMZVQGSPKDSC-UHFFFAOYSA-N 0 0 293.241 3.025 10 30 CGEERN COC(=O)Cc1cc(F)c(SC(F)(F)F)cc1C#N ZINC000575390653 377898561 /nfs/dbraw/zinc/89/85/61/377898561.db2.gz LSAVKFZBTLDMSS-UHFFFAOYSA-N 0 0 293.241 3.025 10 30 CGEERN N#Cc1cc(C=O)cc(C(F)(F)F)c1C(F)(F)F ZINC000575341395 377882762 /nfs/dbraw/zinc/88/27/62/377882762.db2.gz WELLBICVDQFKBI-UHFFFAOYSA-N 0 0 267.128 3.408 10 30 CGEERN CCOC(=O)c1ccc(SC(F)(F)F)c(C#N)c1O ZINC000575392409 377900398 /nfs/dbraw/zinc/90/03/98/377900398.db2.gz ZDAVPBGPGNZFJO-UHFFFAOYSA-N 0 0 291.250 3.052 10 30 CGEERN CCOC(=O)c1cc(Cl)cc(C#N)c1OC(F)(F)F ZINC000575382897 377892634 /nfs/dbraw/zinc/89/26/34/377892634.db2.gz PNXRLPAHTFHIEN-UHFFFAOYSA-N 0 0 293.628 3.287 10 30 CGEERN N#CCc1cc(C(F)(F)F)cc(N)c1C(F)(F)F ZINC000575381478 377893043 /nfs/dbraw/zinc/89/30/43/377893043.db2.gz XCVSZKCCLAMUKS-UHFFFAOYSA-N 0 0 268.160 3.372 10 30 CGEERN COC(=O)c1cc(C#N)c(Cl)c(C(F)(F)F)c1 ZINC000575383079 377893618 /nfs/dbraw/zinc/89/36/18/377893618.db2.gz FTXIAOIGGTVAID-UHFFFAOYSA-N 0 0 263.602 3.017 10 30 CGEERN CCOC(=O)c1cc(OC(F)(F)F)cc(Cl)c1C#N ZINC000575382950 377893955 /nfs/dbraw/zinc/89/39/55/377893955.db2.gz XDIUPYGQEICZJX-UHFFFAOYSA-N 0 0 293.628 3.287 10 30 CGEERN CCOC(=O)Cc1cc(Cl)cc(C#N)c1C(F)(F)F ZINC000575383499 377895287 /nfs/dbraw/zinc/89/52/87/377895287.db2.gz XZHWWHYFHSJVSW-UHFFFAOYSA-N 0 0 291.656 3.336 10 30 CGEERN COC(=O)Cc1cc(C(F)F)c(C#N)cc1C(F)(F)F ZINC000575387415 377896148 /nfs/dbraw/zinc/89/61/48/377896148.db2.gz MVVZCSKRNZCPDI-UHFFFAOYSA-N 0 0 293.191 3.230 10 30 CGEERN CCc1cc(C#N)cc(OC(F)(F)F)c1CC#N ZINC000575647128 377927016 /nfs/dbraw/zinc/92/70/16/377927016.db2.gz JSAGICNSXRSFBR-UHFFFAOYSA-N 0 0 254.211 3.085 10 30 CGEERN N#Cc1cc(OC(F)F)cc(F)c1OC(F)(F)F ZINC000575660416 377936071 /nfs/dbraw/zinc/93/60/71/377936071.db2.gz PLARVVSCGQZWMU-UHFFFAOYSA-N 0 0 271.116 3.197 10 30 CGEERN COc1ccc(CC#N)c(C(F)(F)F)c1OC(F)F ZINC000575664142 377939562 /nfs/dbraw/zinc/93/95/62/377939562.db2.gz CNMFSIJKPGNCDE-UHFFFAOYSA-N 0 0 281.180 3.381 10 30 CGEERN Cc1cc(C(F)(F)F)cc(OC(F)F)c1C#N ZINC000575665711 377943148 /nfs/dbraw/zinc/94/31/48/377943148.db2.gz UABMGEJXWLMZLN-UHFFFAOYSA-N 0 0 251.154 3.487 10 30 CGEERN COc1cc(OC(F)F)cc(Br)c1CC#N ZINC000575683049 377957066 /nfs/dbraw/zinc/95/70/66/377957066.db2.gz IAHQGAMSKUHJKO-UHFFFAOYSA-N 0 0 292.079 3.125 10 30 CGEERN COC(=O)c1cc(C#N)cc(C)c1SC(F)(F)F ZINC000575394366 377902198 /nfs/dbraw/zinc/90/21/98/377902198.db2.gz FVRGUTWDAHBXNS-UHFFFAOYSA-N 0 0 275.251 3.265 10 30 CGEERN CCOC(=O)c1cc(C#N)cc(C(F)(F)F)c1C ZINC000575395296 377902381 /nfs/dbraw/zinc/90/23/81/377902381.db2.gz WXZAYTCRDYNDQD-UHFFFAOYSA-N 0 0 257.211 3.062 10 30 CGEERN COc1c(C(F)F)ccc(Br)c1CC#N ZINC000575686740 377962034 /nfs/dbraw/zinc/96/20/34/377962034.db2.gz QKFGXLBAUOWHBG-UHFFFAOYSA-N 0 0 276.080 3.461 10 30 CGEERN N#CCc1cc(Br)c(O)cc1C(F)F ZINC000575687032 377962070 /nfs/dbraw/zinc/96/20/70/377962070.db2.gz STHCZXFEJFTAPH-UHFFFAOYSA-N 0 0 262.053 3.158 10 30 CGEERN N#CCc1c(Br)c([N+](=O)[O-])ccc1C(F)F ZINC000575688092 377963171 /nfs/dbraw/zinc/96/31/71/377963171.db2.gz XSYNJPGBPBVDLS-UHFFFAOYSA-N 0 0 291.051 3.361 10 30 CGEERN N#CCc1cc(OC(F)(F)F)cc(O)c1Br ZINC000575692105 377966787 /nfs/dbraw/zinc/96/67/87/377966787.db2.gz VEVFQBHZCLCETO-UHFFFAOYSA-N 0 0 296.042 3.119 10 30 CGEERN N#Cc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575693608 377967862 /nfs/dbraw/zinc/96/78/62/377967862.db2.gz CFGSBQFCQXPGNR-UHFFFAOYSA-N 0 0 250.563 3.139 10 30 CGEERN CCc1c([N+](=O)[O-])ccc(CC#N)c1OC(F)(F)F ZINC000575706115 377978017 /nfs/dbraw/zinc/97/80/17/377978017.db2.gz MKNVVJHKDHSTLG-UHFFFAOYSA-N 0 0 274.198 3.122 10 30 CGEERN CCc1c(OC)cc(CC#N)cc1OC(F)(F)F ZINC000575704652 377978320 /nfs/dbraw/zinc/97/83/20/377978320.db2.gz XEGLKBILOIMULC-UHFFFAOYSA-N 0 0 259.227 3.222 10 30 CGEERN CCc1c(C)cc(I)cc1CC#N ZINC000575706696 377979662 /nfs/dbraw/zinc/97/96/62/377979662.db2.gz VTVWBWQXRVJEII-UHFFFAOYSA-N 0 0 285.128 3.228 10 30 CGEERN Cn1cc([C@@H]2CCCN2c2ccc(Cl)cc2C#N)cn1 ZINC000266442528 378021797 /nfs/dbraw/zinc/02/17/97/378021797.db2.gz WJIKAAJIDAIEPP-AWEZNQCLSA-N 0 0 286.766 3.287 10 30 CGEERN N#Cc1ccc(N[C@H]2CCC[C@H](C(F)(F)F)C2)cn1 ZINC000267420447 190329228 /nfs/dbraw/zinc/32/92/28/190329228.db2.gz UIMHRHVMBUNMCU-UWVGGRQHSA-N 0 0 269.270 3.486 10 30 CGEERN C[C@@H]1C[C@H](C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)CCO1 ZINC000329282816 542446208 /nfs/dbraw/zinc/44/62/08/542446208.db2.gz NUIPJZLXAUFWES-HKUMRIAESA-N 0 0 296.411 3.292 10 30 CGEERN Cc1cnc([C@H](C)NC(=O)[C@@H]2CCC(=O)[C@H](C)C2)o1 ZINC000329452467 542446710 /nfs/dbraw/zinc/44/67/10/542446710.db2.gz PCRGCMQGCOJYTC-DVVUODLYSA-N 0 0 264.325 3.006 10 30 CGEERN C[C@H](NC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)[C@H]1CCCO1 ZINC000329768882 542448282 /nfs/dbraw/zinc/44/82/82/542448282.db2.gz HEBPPLXYLSRADF-VQJWOFKYSA-N 0 0 280.412 3.026 10 30 CGEERN Cc1cnc([C@H](C)NC(=O)c2cc(=O)[nH]c(C3CC3)c2)o1 ZINC000329941609 542449249 /nfs/dbraw/zinc/44/92/49/542449249.db2.gz CHOIAVMGVGAGNB-VIFPVBQESA-N 0 0 287.319 3.027 10 30 CGEERN C[C@@H](NC(=O)c1cc(C#N)cn1C)c1ccc(Cl)cc1 ZINC000176520746 533276058 /nfs/dbraw/zinc/27/60/58/533276058.db2.gz HSUXMCOMRVUGSM-SNVBAGLBSA-N 0 0 287.750 3.041 10 30 CGEERN Cc1c(/C=C\C(=O)c2cccc(OC(F)F)c2)cnn1C ZINC000035678674 391975093 /nfs/dbraw/zinc/97/50/93/391975093.db2.gz NTYWQTLMIYKARK-SREVYHEPSA-N 0 0 292.285 3.226 10 30 CGEERN CCn1ccnc1COc1ccc(C#N)cc1Cl ZINC000052345224 392078510 /nfs/dbraw/zinc/07/85/10/392078510.db2.gz UUPXZSNNTASDDI-UHFFFAOYSA-N 0 0 261.712 3.007 10 30 CGEERN CC(C)(O)C#Cc1ccc(OCc2ccccc2)cc1 ZINC000095093410 392243246 /nfs/dbraw/zinc/24/32/46/392243246.db2.gz TUPSVYBYOXBQOH-UHFFFAOYSA-N 0 0 266.340 3.388 10 30 CGEERN N#Cc1cc(N2CC[C@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000134277632 392466240 /nfs/dbraw/zinc/46/62/40/392466240.db2.gz QNZPWKXIDBAXFL-RISCZKNCSA-N 0 0 271.320 3.235 10 30 CGEERN C#CCCCCNC(=O)N1CC=C(c2ccccc2)CC1 ZINC000155047541 392537995 /nfs/dbraw/zinc/53/79/95/392537995.db2.gz JNMLDFCXAHPUIL-UHFFFAOYSA-N 0 0 282.387 3.289 10 30 CGEERN N#Cc1ccc(NCCC2=CCOCC2)cc1Cl ZINC000158076959 392554946 /nfs/dbraw/zinc/55/49/46/392554946.db2.gz PJNWEBAPDNIQMI-UHFFFAOYSA-N 0 0 262.740 3.360 10 30 CGEERN CC#C[C@H](O)c1cc(Br)c(Cl)s1 ZINC000306452065 392638129 /nfs/dbraw/zinc/63/81/29/392638129.db2.gz DTOQSYKLLFCCQD-LURJTMIESA-N 0 0 265.559 3.221 10 30 CGEERN Cc1cc(Cl)cnc1NC(=O)N1CCC(C)(C#N)CC1 ZINC000334697485 392747488 /nfs/dbraw/zinc/74/74/88/392747488.db2.gz RSJZQQQFVUISGB-UHFFFAOYSA-N 0 0 292.770 3.201 10 30 CGEERN Cn1cc(/C=C2\COc3ccc(Cl)cc3C2=O)cc1C#N ZINC000191337637 392830203 /nfs/dbraw/zinc/83/02/03/392830203.db2.gz XPEXGTABRWKYIR-NYYWCZLTSA-N 0 0 298.729 3.209 10 30 CGEERN C[C@H](CC(=O)N[C@H]1CCC[C@H]1C#N)C1CCCCC1 ZINC000408327549 392972332 /nfs/dbraw/zinc/97/23/32/392972332.db2.gz BYCZVKPNADDMCZ-SNPRPXQTSA-N 0 0 262.397 3.401 10 30 CGEERN Cc1c(Cl)cnc(N[C@H]2CCC[C@H]2C#N)c1C#N ZINC000408183010 392970818 /nfs/dbraw/zinc/97/08/18/392970818.db2.gz NTBNUAHCSVNUQP-CABZTGNLSA-N 0 0 260.728 3.019 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000408330220 392972027 /nfs/dbraw/zinc/97/20/27/392972027.db2.gz LPKYQKYEIBKGJF-YJNKXOJESA-N 0 0 260.381 3.011 10 30 CGEERN Cc1c2c(c(C)c3cnccc13)C1=CC(=O)C=CC1=N2 ZINC000206732549 397666017 /nfs/dbraw/zinc/66/60/17/397666017.db2.gz MDCCSXYUIRHFMI-UHFFFAOYSA-N 0 0 260.296 3.460 10 30 CGEERN CCOc1ccc(-n2c(C)cc(/C=N/N(C)C)c2C)cc1 ZINC000003206905 169868379 /nfs/dbraw/zinc/86/83/79/169868379.db2.gz INOGMQIRBVRBPI-LDADJPATSA-N 0 0 285.391 3.388 10 30 CGEERN COc1cccc(C=NNc2ccc(C)cc2)c1OC ZINC000007930935 170308342 /nfs/dbraw/zinc/30/83/42/170308342.db2.gz GKDILBNMHIATJH-GZTJUZNOSA-N 0 0 270.332 3.458 10 30 CGEERN C=C(C)COc1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000009823647 170386356 /nfs/dbraw/zinc/38/63/56/170386356.db2.gz OAUARNLQULQXRY-UHFFFAOYSA-N 0 0 293.322 3.442 10 30 CGEERN O=C(c1ccccc1[N+](=O)[O-])C1=C(Cl)CCCC1=O ZINC000013473749 170554003 /nfs/dbraw/zinc/55/40/03/170554003.db2.gz YFYHNUIHCYELLM-UHFFFAOYSA-N 0 0 279.679 3.023 10 30 CGEERN C/C(=N\O)c1cccc(NC(=O)c2cc(F)cc(F)c2)c1 ZINC000019437153 170800326 /nfs/dbraw/zinc/80/03/26/170800326.db2.gz RHQWIMXLGVCCCH-DJKKODMXSA-N 0 0 290.269 3.415 10 30 CGEERN C[C@@H]1CCCC[C@H]1OCCC(=O)Nc1ccc(C#N)cc1 ZINC000019847368 170896686 /nfs/dbraw/zinc/89/66/86/170896686.db2.gz FMFIQQNPTMVNGQ-CZUORRHYSA-N 0 0 286.375 3.482 10 30 CGEERN CCCN[C@@H](C#N)c1ccc(Br)cc1 ZINC000020176223 171042438 /nfs/dbraw/zinc/04/24/38/171042438.db2.gz HLOBFWLRLQGTAS-NSHDSACASA-N 0 0 253.143 3.013 10 30 CGEERN COCCCN[C@H](C#N)c1ccc(Cl)cc1Cl ZINC000020177043 171042890 /nfs/dbraw/zinc/04/28/90/171042890.db2.gz SABWLIIAYGMQBU-GFCCVEGCSA-N 0 0 273.163 3.184 10 30 CGEERN N#Cc1ccc(Oc2ccc([N+](=O)[O-])cc2C=O)cc1 ZINC000020307000 171142901 /nfs/dbraw/zinc/14/29/01/171142901.db2.gz ZOCSKAMUJPPGEZ-UHFFFAOYSA-N 0 0 268.228 3.071 10 30 CGEERN N#CCC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000020443685 171205717 /nfs/dbraw/zinc/20/57/17/171205717.db2.gz PBCBKFMQYUGGOV-UHFFFAOYSA-N 0 0 262.618 3.211 10 30 CGEERN CCCc1nc(N)c(C#N)c(-c2ccccc2)c1C ZINC000033511601 171810101 /nfs/dbraw/zinc/81/01/01/171810101.db2.gz JXTDQLBIENGYIX-UHFFFAOYSA-N 0 0 251.333 3.463 10 30 CGEERN COc1cc(OC)cc(OCc2cc(C#N)ccc2F)c1 ZINC000035151544 172014609 /nfs/dbraw/zinc/01/46/09/172014609.db2.gz QFZDJSPGNYLAGD-UHFFFAOYSA-N 0 0 287.290 3.294 10 30 CGEERN C[C@H]1CSC(Nc2cccc(Br)c2)=N1 ZINC000035294937 172107236 /nfs/dbraw/zinc/10/72/36/172107236.db2.gz FNZAVRXRJUYXCL-ZETCQYMHSA-N 0 0 271.183 3.162 10 30 CGEERN CCN(Cc1ccccc1)c1ccc(C#N)cc1N ZINC000035674436 172345218 /nfs/dbraw/zinc/34/52/18/172345218.db2.gz JOBQHMQJPCXYLY-UHFFFAOYSA-N 0 0 251.333 3.167 10 30 CGEERN C[C@@H](CSc1ccc2ccccc2c1)/C(N)=N/O ZINC000035676488 172347452 /nfs/dbraw/zinc/34/74/52/172347452.db2.gz RHGVIAVZCAFTRA-JTQLQIEISA-N 0 0 260.362 3.314 10 30 CGEERN COC(=O)c1ccc(CNc2cc(Cl)ccc2C#N)o1 ZINC000037277981 173088116 /nfs/dbraw/zinc/08/81/16/173088116.db2.gz PBUKMMBPXOABCO-UHFFFAOYSA-N 0 0 290.706 3.203 10 30 CGEERN N#C[C@@H](C(=O)c1cccc(F)c1)c1ccc(F)cc1 ZINC000037345613 173143339 /nfs/dbraw/zinc/14/33/39/173143339.db2.gz OXXBWGPUDWSWNU-CQSZACIVSA-N 0 0 257.239 3.455 10 30 CGEERN N#C[C@@H](C(=O)c1ccc(F)cc1F)c1ccccc1 ZINC000037343793 173143395 /nfs/dbraw/zinc/14/33/95/173143395.db2.gz VEMWHFYCIUPAHG-CYBMUJFWSA-N 0 0 257.239 3.455 10 30 CGEERN CCOc1ccc([C@H](C#N)C(=O)C2CCCC2)cc1 ZINC000037347708 173144070 /nfs/dbraw/zinc/14/40/70/173144070.db2.gz CDOKQNSJALIYEI-HNNXBMFYSA-N 0 0 257.333 3.452 10 30 CGEERN N#C[C@@H](NC[C@@H]1CCCO1)c1cccc(Cl)c1Cl ZINC000037939807 173879851 /nfs/dbraw/zinc/87/98/51/173879851.db2.gz LGOFLMMWURPBBJ-JOYOIKCWSA-N 0 0 285.174 3.327 10 30 CGEERN N#C[C@H](NCC1CC1)c1ccc(C(F)(F)F)cc1 ZINC000037946817 173888338 /nfs/dbraw/zinc/88/83/38/173888338.db2.gz MSYIKSFBPUXGND-LBPRGKRZSA-N 0 0 254.255 3.270 10 30 CGEERN CC[C@H](C)N[C@@H](C#N)c1ccc(OC(F)F)cc1 ZINC000038064671 174075104 /nfs/dbraw/zinc/07/51/04/174075104.db2.gz WVJAESXCIJDPNX-CABZTGNLSA-N 0 0 254.280 3.241 10 30 CGEERN C=CCNc1ncnc(Oc2ccc(CC)cc2)c1N ZINC000040709173 174380587 /nfs/dbraw/zinc/38/05/87/174380587.db2.gz ZHBIENVQWLFJBL-UHFFFAOYSA-N 0 0 270.336 3.011 10 30 CGEERN COc1ccc(Cl)cc1CN(CCC#N)C1CC1 ZINC000042549332 174788611 /nfs/dbraw/zinc/78/86/11/174788611.db2.gz DYVGLKVPXQCUJN-UHFFFAOYSA-N 0 0 264.756 3.227 10 30 CGEERN Cc1nc(CN(C)c2nc3c(cc2C#N)CCCC3)cs1 ZINC000044609847 175216543 /nfs/dbraw/zinc/21/65/43/175216543.db2.gz QAQQCARBHYNFBW-UHFFFAOYSA-N 0 0 298.415 3.233 10 30 CGEERN COc1ccc(NC2=NC[C@H](C3CC3)S2)cc1Cl ZINC000071306719 176115918 /nfs/dbraw/zinc/11/59/18/176115918.db2.gz ZUOLYAJSZLPQQY-GFCCVEGCSA-N 0 0 282.796 3.451 10 30 CGEERN CC(C)[C@@H](C#N)NC(=O)Nc1cccc(Cl)c1 ZINC000071573877 176200543 /nfs/dbraw/zinc/20/05/43/176200543.db2.gz GYVNSRFUJGUBOV-LLVKDONJSA-N 0 0 251.717 3.010 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)CCc1nc2ccccc2o1 ZINC000330048075 228026821 /nfs/dbraw/zinc/02/68/21/228026821.db2.gz JVHYKTGCJHWWPZ-RYUDHWBXSA-N 0 0 283.331 3.409 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000333751922 228212403 /nfs/dbraw/zinc/21/24/03/228212403.db2.gz ZQVHMZIEOFIFIC-LZWOXQAQSA-N 0 0 299.374 3.004 10 30 CGEERN CC(C)(C)OC(=O)N[C@@H](CC#N)Cc1ccccc1 ZINC000034410433 260149546 /nfs/dbraw/zinc/14/95/46/260149546.db2.gz BEJMQXQXIQDKCZ-ZDUSSCGKSA-N 0 0 260.337 3.036 10 30 CGEERN C=CCC[C@@H](C)Nc1cc(NC(C)=O)ccc1OC ZINC000130586642 260397329 /nfs/dbraw/zinc/39/73/29/260397329.db2.gz SHMCPQOKZNBBPE-LLVKDONJSA-N 0 0 262.353 3.420 10 30 CGEERN C[C@H]1CC[C@@H](NC(=O)C(C)(C)C#N)c2ccccc21 ZINC000125119946 260759533 /nfs/dbraw/zinc/75/95/33/260759533.db2.gz RYQKAIPPJUUVQU-SMDDNHRTSA-N 0 0 256.349 3.291 10 30 CGEERN N#CCCCN1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000161205952 261240446 /nfs/dbraw/zinc/24/04/46/261240446.db2.gz DSZBBNONJZCZLY-KBPBESRZSA-N 0 0 298.308 3.117 10 30 CGEERN CC(C)CCOc1ccc([C@H](C)NC(=O)CC#N)cc1 ZINC000184685501 262025884 /nfs/dbraw/zinc/02/58/84/262025884.db2.gz DTOKDDUMOYJPNE-ZDUSSCGKSA-N 0 0 274.364 3.202 10 30 CGEERN N#CCN(C(=O)c1ccc2cc[nH]c2c1)c1ccccc1 ZINC000195118714 262246467 /nfs/dbraw/zinc/24/64/67/262246467.db2.gz NLOSULHJGUFHPF-UHFFFAOYSA-N 0 0 275.311 3.338 10 30 CGEERN COc1cc(CN[C@H]2CCC[C@@H]2C#N)cc(Cl)c1OC ZINC000061892199 262406197 /nfs/dbraw/zinc/40/61/97/262406197.db2.gz IRCKIPHRNKCRBH-YPMHNXCESA-N 0 0 294.782 3.139 10 30 CGEERN CCC[C@H](C)CC(=O)N1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000366208623 262574636 /nfs/dbraw/zinc/57/46/36/262574636.db2.gz AZETTXVTMNSIDR-YQQAZPJKSA-N 0 0 292.423 3.267 10 30 CGEERN N#CCCN(CC1CC1)C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000163825139 263261245 /nfs/dbraw/zinc/26/12/45/263261245.db2.gz SVJRQFATAXOERJ-HZPDHXFCSA-N 0 0 274.408 3.355 10 30 CGEERN COc1cccc2c(Cl)c(C#N)c(SC)nc12 ZINC000032500877 278023116 /nfs/dbraw/zinc/02/31/16/278023116.db2.gz QVVSUGFLMHAGKM-UHFFFAOYSA-N 0 0 264.737 3.490 10 30 CGEERN Cc1ncc(NC(=O)[C@@H]2C[C@@]23CCOc2ccccc23)cn1 ZINC000329719993 293594790 /nfs/dbraw/zinc/59/47/90/293594790.db2.gz MQPSNDRALLEZJX-WMLDXEAASA-N 0 0 295.342 3.113 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)C1CCC(C(F)(F)F)CC1 ZINC000216304490 303167444 /nfs/dbraw/zinc/16/74/44/303167444.db2.gz BMKYKFIMZKLGSC-RUJICJSRSA-N 0 0 288.313 3.164 10 30 CGEERN C[C@H](C#N)N1CCC(Oc2ccccc2Cl)CC1 ZINC000182248293 329241213 /nfs/dbraw/zinc/24/12/13/329241213.db2.gz MBEFRFFDSQGUON-LLVKDONJSA-N 0 0 264.756 3.095 10 30 CGEERN C=CCCCCCN(C)C(=O)[C@@H]1CCCO[C@H]1C ZINC000187976202 329364417 /nfs/dbraw/zinc/36/44/17/329364417.db2.gz LMIMVRHOBUGBBK-UONOGXRCSA-N 0 0 253.386 3.006 10 30 CGEERN C=CCCCCCN(C)C(=O)[C@H]1CCCO[C@H]1C ZINC000187976248 329364485 /nfs/dbraw/zinc/36/44/85/329364485.db2.gz LMIMVRHOBUGBBK-KBPBESRZSA-N 0 0 253.386 3.006 10 30 CGEERN C=CCCOCCNC(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000125576023 329584599 /nfs/dbraw/zinc/58/45/99/329584599.db2.gz VIYIAUIYXSKPCR-ZDUSSCGKSA-N 0 0 294.370 3.087 10 30 CGEERN C=CC[C@H](C)NC(=O)N1CCC(Cc2ccccn2)CC1 ZINC000194249363 329685730 /nfs/dbraw/zinc/68/57/30/329685730.db2.gz NMDKEGUEHQUUKW-AWEZNQCLSA-N 0 0 287.407 3.010 10 30 CGEERN C[C@@H]1c2ccccc2O[C@H]1C(=O)N[C@H](C#N)C1CCCCC1 ZINC000248342073 329889358 /nfs/dbraw/zinc/88/93/58/329889358.db2.gz JHRQHIWLNJSKFV-SRCQZFHVSA-N 0 0 298.386 3.140 10 30 CGEERN CN1CCOc2ccc(N[C@@H]3CCC[C@@H](C#N)C3)cc21 ZINC000249052795 329904118 /nfs/dbraw/zinc/90/41/18/329904118.db2.gz XXERXXAHNHMLLV-CHWSQXEVSA-N 0 0 271.364 3.009 10 30 CGEERN C=CCOCCCC(=O)N[C@@H](C)c1ccccc1C ZINC000079295585 330021057 /nfs/dbraw/zinc/02/10/57/330021057.db2.gz IOAOWNYNPHXLJF-AWEZNQCLSA-N 0 0 261.365 3.155 10 30 CGEERN COc1ccc(CN[C@@H]2CCC[C@@H]2C#N)cc1Cl ZINC000086586012 330370298 /nfs/dbraw/zinc/37/02/98/330370298.db2.gz KEMUIMKOMLRMCF-DGCLKSJQSA-N 0 0 264.756 3.130 10 30 CGEERN COc1cc(CN[C@H]2CCC[C@H]2C#N)ccc1Cl ZINC000459456240 331282196 /nfs/dbraw/zinc/28/21/96/331282196.db2.gz FOKYFMNEJJSPFE-AAEUAGOBSA-N 0 0 264.756 3.130 10 30 CGEERN CC(C)(C)c1ccccc1C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000167045673 331307859 /nfs/dbraw/zinc/30/78/59/331307859.db2.gz UKRWSNJJVILQPR-DOMZBBRYSA-N 0 0 270.376 3.406 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NCc1ccc(OC(F)(F)F)cc1 ZINC000061891164 333474894 /nfs/dbraw/zinc/47/48/94/333474894.db2.gz MIZSIXXKVLMLSI-WCQYABFASA-N 0 0 284.281 3.367 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000253180414 334420752 /nfs/dbraw/zinc/42/07/52/334420752.db2.gz DOVDKNASVZXGRR-QCNOEVLYSA-N 0 0 288.313 3.164 10 30 CGEERN C[C@H](CCC1CC1)NC(=O)[C@@H]1CCO[C@H]1c1ccnn1C ZINC000330156976 533815899 /nfs/dbraw/zinc/81/58/99/533815899.db2.gz YZUOLJXREGJINN-UXIGCNINSA-N 0 0 291.395 3.033 10 30 CGEERN Cc1cnc([C@H](C)NC(=O)c2oc(CC3CC3)nc2C)o1 ZINC000330015040 534631209 /nfs/dbraw/zinc/63/12/09/534631209.db2.gz NMIVZBFQSDQIGG-JTQLQIEISA-N 0 0 289.335 3.298 10 30 CGEERN CN(Cc1ccccn1)[C@H](CC#N)c1ccccc1 ZINC000055020173 523397247 /nfs/dbraw/zinc/39/72/47/523397247.db2.gz LAAJONOIQOKZRE-MRXNPFEDSA-N 0 0 251.333 3.168 10 30 CGEERN Cc1nc(C)c(CNC(=O)[C@H]2CCc3ccccc32)o1 ZINC000329179964 534881191 /nfs/dbraw/zinc/88/11/91/534881191.db2.gz NQFXWXLRVMNLAL-AWEZNQCLSA-N 0 0 270.332 3.478 10 30 CGEERN N#C[C@@H](Nc1cccc(Cl)c1)C1CCOCC1 ZINC000052178739 526497228 /nfs/dbraw/zinc/49/72/28/526497228.db2.gz FAYDKRGAZUPVKO-CYBMUJFWSA-N 0 0 250.729 3.071 10 30 CGEERN N#Cc1ccc(N[C@H]2COc3ccccc32)c(F)c1 ZINC000112012706 526668219 /nfs/dbraw/zinc/66/82/19/526668219.db2.gz KJYXGFPCWGYPCI-AWEZNQCLSA-N 0 0 254.264 3.243 10 30 CGEERN N#Cc1cnc(-c2cccnc2)c(-c2cccnc2)c1 ZINC000047215230 526772152 /nfs/dbraw/zinc/77/21/52/526772152.db2.gz SAIRFMJKEYEWSX-UHFFFAOYSA-N 0 0 258.284 3.077 10 30 CGEERN Cc1nc(N)sc1SCC#Cc1ccccc1 ZINC000051814524 526959580 /nfs/dbraw/zinc/95/95/80/526959580.db2.gz QZPKAGHIFSKELL-UHFFFAOYSA-N 0 0 260.387 3.178 10 30 CGEERN N#CCC(=O)N[C@@H]1CCCOc2c3ccccc3ccc21 ZINC000169807419 571857553 /nfs/dbraw/zinc/85/75/53/571857553.db2.gz GDZIOZIKYGQDAU-OAHLLOKOSA-N 0 0 280.327 3.083 10 30 CGEERN O=c1[nH]c2ccccc2cc1C=N[C@@H]1COc2ccccc21 ZINC000254971588 617707177 /nfs/dbraw/zinc/70/71/77/617707177.db2.gz BDYLOMDVONFYPB-DZGUVLCISA-N 0 0 290.322 3.493 10 30 CGEERN CC(C)[C@H](C#N)OC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000176030717 618236217 /nfs/dbraw/zinc/23/62/17/618236217.db2.gz YAHMOCYCKKRYHX-SUNKGSAMSA-N 0 0 279.286 3.160 10 30 CGEERN CC(C)c1csc(C(C#N)C(=O)[C@@H]2C[C@@H]2C2CC2)n1 ZINC000176188718 618438075 /nfs/dbraw/zinc/43/80/75/618438075.db2.gz WFCMIOOQTRQXER-IJLUTSLNSA-N 0 0 274.389 3.489 10 30 CGEERN C#CC[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000091264561 618629500 /nfs/dbraw/zinc/62/95/00/618629500.db2.gz HYCJHZMSHWQKTF-CYBMUJFWSA-N 0 0 253.267 3.379 10 30 CGEERN C#CCC(C)(C)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000184964856 625285036 /nfs/dbraw/zinc/28/50/36/625285036.db2.gz LCDKXZNZUVCWDV-WDEREUQCSA-N 0 0 275.314 3.273 10 30 CGEERN N#C[C@H](OC(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl)C1CC1 ZINC000177015402 618772638 /nfs/dbraw/zinc/77/26/38/618772638.db2.gz UVPJPVWBYCCUNH-BREBYQMCSA-N 0 0 293.725 3.428 10 30 CGEERN N#C[C@H](OC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)C1CC1 ZINC000177041703 618777044 /nfs/dbraw/zinc/77/70/44/618777044.db2.gz UCRIYLHUYKXLJZ-MCIONIFRSA-N 0 0 275.735 3.289 10 30 CGEERN C=CCC[C@H](OC(=O)C1CCC(C(=O)OC)CC1)C1CC1 ZINC000181313659 618894209 /nfs/dbraw/zinc/89/42/09/618894209.db2.gz YVKCLCYJLGBRSD-NRXISQOPSA-N 0 0 294.391 3.254 10 30 CGEERN COC1CC(Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000230598642 619722039 /nfs/dbraw/zinc/72/20/39/619722039.db2.gz YCDRHGQXIIZPIA-UHFFFAOYSA-N 0 0 270.254 3.166 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NCc1cncc2ccccc21 ZINC000164967070 622852595 /nfs/dbraw/zinc/85/25/95/622852595.db2.gz AYPXNFWLQGNTMO-BLLLJJGKSA-N 0 0 251.333 3.017 10 30 CGEERN C#C[C@H](OC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000152649467 623698588 /nfs/dbraw/zinc/69/85/88/623698588.db2.gz HRNKJWFGMQVXHV-JMSVASOKSA-N 0 0 276.282 3.023 10 30 CGEERN CCCCCCCCC(=O)NC[C@@H](O)C(C)(C)C ZINC000324399010 623887705 /nfs/dbraw/zinc/88/77/05/623887705.db2.gz GYZBLKMZRJVPLE-CYBMUJFWSA-N 0 0 257.418 3.260 10 30 CGEERN C#CCCCCC(=O)O[C@@H](C)c1nc2ccccc2[nH]1 ZINC000180748931 624770075 /nfs/dbraw/zinc/77/00/75/624770075.db2.gz VTUBVAPYJVGQCD-LBPRGKRZSA-N 0 0 270.332 3.361 10 30 CGEERN C[C@H](O)c1nc2ccccc2n1CCCC(C)(C)C#N ZINC000181496513 624865019 /nfs/dbraw/zinc/86/50/19/624865019.db2.gz RRTDMIFAHYYPND-LBPRGKRZSA-N 0 0 271.364 3.420 10 30 CGEERN N#Cc1cc2c(nc1Cl)CC[C@@H](C(F)(F)F)C2 ZINC000085126074 625795808 /nfs/dbraw/zinc/79/58/08/625795808.db2.gz OZQKBQKKHPCYOJ-MRVPVSSYSA-N 0 0 260.646 3.274 10 30 CGEERN C#Cc1cccc(N(CC)C(=O)c2ccc(C)nc2C)c1 ZINC000103029263 626202906 /nfs/dbraw/zinc/20/29/06/626202906.db2.gz CPVBKTLQKHRQLS-UHFFFAOYSA-N 0 0 278.355 3.346 10 30 CGEERN COc1ccc(C#N)cc1COc1cccc([C@@H](C)O)c1 ZINC000131173615 636570952 /nfs/dbraw/zinc/57/09/52/636570952.db2.gz BHMJSMMSFSJBCV-GFCCVEGCSA-N 0 0 283.327 3.199 10 30 CGEERN N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1)c1ccccn1 ZINC000109184428 636990838 /nfs/dbraw/zinc/99/08/38/636990838.db2.gz XSVKHXXRIAVAPL-UPJWGTAASA-N 0 0 298.292 3.340 10 30 CGEERN N#CC1(COC(=O)/C=C\c2cccc(F)c2)CCCC1 ZINC000588411666 799691240 /nfs/dbraw/zinc/69/12/40/799691240.db2.gz FGUNAKAHNPOZHY-SREVYHEPSA-N 0 0 273.307 3.466 10 30 CGEERN Cc1cc([N+](=O)[O-])ccc1/C=C1\Cc2c(cccc2O)C1=O ZINC000588450096 799696154 /nfs/dbraw/zinc/69/61/54/799696154.db2.gz RXGCKSWFWSVIMK-XYOKQWHBSA-N 0 0 295.294 3.431 10 30 CGEERN Cc1ccc(CON=Cc2ccccc2F)c(C)n1 ZINC000588510228 799703829 /nfs/dbraw/zinc/70/38/29/799703829.db2.gz VUJZZWYFZOBAHV-UHFFFAOYSA-N 0 0 258.296 3.388 10 30 CGEERN C=C[C@@](C)(CCOC)COC(=O)/C=C\c1cncc(F)c1 ZINC000588551909 799710527 /nfs/dbraw/zinc/71/05/27/799710527.db2.gz YRGZFTHRGNLCPV-KJPDOMRESA-N 0 0 293.338 3.006 10 30 CGEERN Cc1c(C(=O)/C=C\c2cccc3nccn32)cnn1C(C)C ZINC000588559960 799711182 /nfs/dbraw/zinc/71/11/82/799711182.db2.gz ZOEPDKAQLKROAO-FPLPWBNLSA-N 0 0 294.358 3.316 10 30 CGEERN O=C1c2cc(OC(F)(F)F)ccc2C/C1=C\c1cocn1 ZINC000588579555 799717074 /nfs/dbraw/zinc/71/70/74/799717074.db2.gz RJCPPTOFGZHCGQ-RUDMXATFSA-N 0 0 295.216 3.396 10 30 CGEERN C#CCSc1nnc(-c2cc(Cl)nc(Cl)c2)o1 ZINC000002570655 169811135 /nfs/dbraw/zinc/81/11/35/169811135.db2.gz TXBOEDHQSBNKAY-UHFFFAOYSA-N 0 0 286.143 3.164 10 30 CGEERN CSC(=CC(=O)c1cccc([N+](=O)[O-])c1)SC ZINC000095629815 185017062 /nfs/dbraw/zinc/01/70/62/185017062.db2.gz LNABYIAUVCHZCT-UHFFFAOYSA-N 0 0 269.347 3.345 10 30 CGEERN CCCCCOc1ccc(/C=C/C(=O)NO)cc1OCC ZINC000005298770 344861165 /nfs/dbraw/zinc/86/11/65/344861165.db2.gz FJNJUBSOKARRGE-CSKARUKUSA-N 0 0 293.363 3.173 10 30 CGEERN Cc1nc(-c2cccs2)sc1C(=O)/C=C\N(C)C ZINC000012369695 344879449 /nfs/dbraw/zinc/87/94/49/344879449.db2.gz FNNPUEJROIPFAR-SREVYHEPSA-N 0 0 278.402 3.438 10 30 CGEERN O=C(CCCc1ccccc1)N(O)CCc1ccccc1 ZINC000029545499 344918434 /nfs/dbraw/zinc/91/84/34/344918434.db2.gz SFUOMWLKDAEHOO-UHFFFAOYSA-N 0 0 283.371 3.470 10 30 CGEERN CCCN[C@@](C)(C#N)c1ccc(Br)cc1 ZINC000040177332 344961023 /nfs/dbraw/zinc/96/10/23/344961023.db2.gz QUPPFACGIYHOIX-LBPRGKRZSA-N 0 0 267.170 3.187 10 30 CGEERN N#CCCN(CCC#N)c1cccc(Br)c1 ZINC000041431792 344969785 /nfs/dbraw/zinc/96/97/85/344969785.db2.gz WBDMSNMKZUYZKJ-UHFFFAOYSA-N 0 0 278.153 3.083 10 30 CGEERN CC(C)N[C@H](C#N)c1ccc(Br)s1 ZINC000041678756 344972470 /nfs/dbraw/zinc/97/24/70/344972470.db2.gz BKSGVFNKOYIQLG-SSDOTTSWSA-N 0 0 259.172 3.073 10 30 CGEERN C[C@@H](C#N)CC(=O)c1ccc(Br)cc1F ZINC000043368338 344997722 /nfs/dbraw/zinc/99/77/22/344997722.db2.gz FWCXSZUSCJKXSG-SSDOTTSWSA-N 0 0 270.101 3.321 10 30 CGEERN C#CCNc1cc(Br)ccc1Br ZINC000050522099 345083127 /nfs/dbraw/zinc/08/31/27/345083127.db2.gz SITBJTFYQIIMIA-UHFFFAOYSA-N 0 0 288.970 3.257 10 30 CGEERN C[C@H](CC#N)Sc1ccc(Br)cn1 ZINC000070614898 345392906 /nfs/dbraw/zinc/39/29/06/345392906.db2.gz YAAHVOSXSDRWMC-SSDOTTSWSA-N 0 0 257.156 3.238 10 30 CGEERN CCOC(=O)CC[C@H](C)Nc1ccc(C#N)c(Cl)c1 ZINC000089656944 345772673 /nfs/dbraw/zinc/77/26/73/345772673.db2.gz RVDVGGATADSDCZ-JTQLQIEISA-N 0 0 280.755 3.355 10 30 CGEERN COc1ccc(-c2ccc(C#N)cc2)c(C)c1C=O ZINC000090567170 345790818 /nfs/dbraw/zinc/79/08/18/345790818.db2.gz HVIQECAJJWVFOE-UHFFFAOYSA-N 0 0 251.285 3.355 10 30 CGEERN CCc1nn(C)cc1CNc1cc(C#N)nc2ccccc21 ZINC000092959484 345864383 /nfs/dbraw/zinc/86/43/83/345864383.db2.gz UXQBZJXNJCQANQ-UHFFFAOYSA-N 0 0 291.358 3.014 10 30 CGEERN CCCCCCCCCCc1c(C)nc(N)[nH]c1=O ZINC000100023319 345910752 /nfs/dbraw/zinc/91/07/52/345910752.db2.gz PMWPQZJTNHKYFI-UHFFFAOYSA-N 0 0 265.401 3.344 10 30 CGEERN CN(C)/C=C(/C(=O)c1ccncc1)c1ccc(F)cc1 ZINC000115344300 345971471 /nfs/dbraw/zinc/97/14/71/345971471.db2.gz IVCPHVGIOAHVNK-RVDMUPIBSA-N 0 0 270.307 3.006 10 30 CGEERN C[C@@H](C#N)[C@H](O)c1ccc(Cl)cc1Br ZINC000126860584 346027229 /nfs/dbraw/zinc/02/72/29/346027229.db2.gz GQFIIWXFLBQSMI-WKEGUHRASA-N 0 0 274.545 3.296 10 30 CGEERN CC(C)[C@@H](C)NC(=O)[C@@H](Oc1ccccc1C#N)C(C)C ZINC000129088071 346046395 /nfs/dbraw/zinc/04/63/95/346046395.db2.gz GBHHVLRHKFFKDE-CJNGLKHVSA-N 0 0 288.391 3.122 10 30 CGEERN CC(C)[C@H](C)NC(=O)[C@@H](Oc1ccccc1C#N)C(C)C ZINC000129088285 346046828 /nfs/dbraw/zinc/04/68/28/346046828.db2.gz GBHHVLRHKFFKDE-BBRMVZONSA-N 0 0 288.391 3.122 10 30 CGEERN CC1(C)CN(c2ccc(C#Cc3ccccc3)cn2)C(=O)O1 ZINC000144073369 346116578 /nfs/dbraw/zinc/11/65/78/346116578.db2.gz XKMKSEYOGDIPRN-UHFFFAOYSA-N 0 0 292.338 3.217 10 30 CGEERN CC(=O)CCC#Cc1ccc(OC(F)(F)F)cc1 ZINC000146467818 346123673 /nfs/dbraw/zinc/12/36/73/346123673.db2.gz FFOLWSCXOXRSAT-UHFFFAOYSA-N 0 0 256.223 3.306 10 30 CGEERN N#CC(CCCO)(c1ccccc1)c1ccccc1 ZINC000149594234 346131060 /nfs/dbraw/zinc/13/10/60/346131060.db2.gz OKBBHNMAZMJOCG-UHFFFAOYSA-N 0 0 251.329 3.269 10 30 CGEERN CC#CCNCc1ccc(Cl)cc1Br ZINC000160592090 346171624 /nfs/dbraw/zinc/17/16/24/346171624.db2.gz LEDJJBCWBHYFFT-UHFFFAOYSA-N 0 0 272.573 3.215 10 30 CGEERN C#CC[C@H](C)Nc1ncc(Cl)cc1Br ZINC000162802245 346179482 /nfs/dbraw/zinc/17/94/82/346179482.db2.gz BBZOPFXPGBEDJQ-ZETCQYMHSA-N 0 0 273.561 3.321 10 30 CGEERN Cc1ccc([C@H]2CC(=O)C=CO2)cc1Br ZINC000164823856 346183137 /nfs/dbraw/zinc/18/31/37/346183137.db2.gz CFWHUVCSMHLEGQ-GFCCVEGCSA-N 0 0 267.122 3.302 10 30 CGEERN CC(C)(C)OC(=O)NC1(c2ccc(C#N)cc2)CC1 ZINC000167569777 346188687 /nfs/dbraw/zinc/18/86/87/346188687.db2.gz GDMWFXDXVVWWFG-UHFFFAOYSA-N 0 0 258.321 3.072 10 30 CGEERN N#Cc1cccc(Cc2cc(Cl)nc(Cl)n2)c1 ZINC000219374705 346294922 /nfs/dbraw/zinc/29/49/22/346294922.db2.gz GUDAZJYCCCLQRN-UHFFFAOYSA-N 0 0 264.115 3.246 10 30 CGEERN C/C=C/C(=O)c1ccc(I)cc1 ZINC000223862246 346301328 /nfs/dbraw/zinc/30/13/28/346301328.db2.gz FFADGEGEOLNZPU-NSCUHMNNSA-N 0 0 272.085 3.050 10 30 CGEERN C#C[C@H](CCC)Nc1nccc(C)c1Br ZINC000230004633 346319151 /nfs/dbraw/zinc/31/91/51/346319151.db2.gz AQZSLLKEBDVYMO-SNVBAGLBSA-N 0 0 267.170 3.366 10 30 CGEERN CC(C)(C)OC(=O)N[C@H](CC=O)c1ccc(Cl)cc1 ZINC000238156002 346347920 /nfs/dbraw/zinc/34/79/20/346347920.db2.gz ALQNSAWWCRGRQX-GFCCVEGCSA-N 0 0 283.755 3.495 10 30 CGEERN C=C[C@H](C)Nc1ccc(F)cc1I ZINC000235533257 346336009 /nfs/dbraw/zinc/33/60/09/346336009.db2.gz CTPCGYCNHWGMQX-ZETCQYMHSA-N 0 0 291.107 3.417 10 30 CGEERN CC(CS)=NOC(=O)c1c(C)onc1-c1ccccc1 ZINC000257352003 346399635 /nfs/dbraw/zinc/39/96/35/346399635.db2.gz ILSJVDAQPJBZHG-UHFFFAOYSA-N 0 0 290.344 3.113 10 30 CGEERN C[C@H]1CC[C@@H](C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)O1 ZINC000128422859 187368934 /nfs/dbraw/zinc/36/89/34/187368934.db2.gz PFTPCKVIZWKZIS-UFBFGSQYSA-N 0 0 298.264 3.083 10 30 CGEERN C[C@H](NC(C)(C)C#N)c1ccc(Br)s1 ZINC000306332901 346453084 /nfs/dbraw/zinc/45/30/84/346453084.db2.gz DDBZYVYIZMYONA-ZETCQYMHSA-N 0 0 273.199 3.463 10 30 CGEERN O=C1C=C(Cc2ccsc2Br)CC1 ZINC000307255912 346460863 /nfs/dbraw/zinc/46/08/63/346460863.db2.gz OYBXNOLSPSWIMA-UHFFFAOYSA-N 0 0 257.152 3.342 10 30 CGEERN N#CC(F)(F)c1c(F)cc(Br)cc1F ZINC000307400318 346462071 /nfs/dbraw/zinc/46/20/71/346462071.db2.gz ZZZXNSPTVZXDBS-UHFFFAOYSA-N 0 0 268.007 3.343 10 30 CGEERN N#Cc1ccc(NC/C=C\Cl)c(Br)c1 ZINC000308410006 346466740 /nfs/dbraw/zinc/46/67/40/346466740.db2.gz AZHPYQYJMJLUOO-RJRFIUFISA-N 0 0 271.545 3.485 10 30 CGEERN N#Cc1cc(CO)c(C(F)(F)F)cc1C(F)(F)F ZINC000514260811 346635789 /nfs/dbraw/zinc/63/57/89/346635789.db2.gz OKBFDMDXWMUVPJ-UHFFFAOYSA-N 0 0 269.144 3.088 10 30 CGEERN N#C[C@@H](c1c(F)cccc1F)[C@@H](CCO)c1cncs1 ZINC000584639284 346702114 /nfs/dbraw/zinc/70/21/14/346702114.db2.gz LNKYQPIUFWEILT-NXEZZACHSA-N 0 0 294.326 3.195 10 30 CGEERN N#C[C@@H](c1cccc(F)c1F)[C@@H](CCO)c1cncs1 ZINC000584639277 346702420 /nfs/dbraw/zinc/70/24/20/346702420.db2.gz KJOYSKGUYCMJSR-MWLCHTKSSA-N 0 0 294.326 3.195 10 30 CGEERN CCCCC[C@@H](O)C#CC#CCCCCCCC(=O)OC ZINC000584640505 346702778 /nfs/dbraw/zinc/70/27/78/346702778.db2.gz SGINDRPLHMANGS-QGZVFWFLSA-N 0 0 292.419 3.448 10 30 CGEERN CCc1ccc(/C(=N\O)c2ccc(F)cc2)c(O)c1 ZINC000584605360 346691111 /nfs/dbraw/zinc/69/11/11/346691111.db2.gz RNAPCXODYKNWKT-ICFOKQHNSA-N 0 0 259.280 3.320 10 30 CGEERN C/C=C(/C(C)=O)c1c(F)c(F)c(F)c(F)c1F ZINC000584609499 346691803 /nfs/dbraw/zinc/69/18/03/346691803.db2.gz AXHFPHQGBSIZIK-HYXAFXHYSA-N 0 0 250.166 3.374 10 30 CGEERN COC(=O)CC1=CC(=O)CC[C@H]1c1ccc(Cl)cc1 ZINC000584616651 346693698 /nfs/dbraw/zinc/69/36/98/346693698.db2.gz UGSFTUDMDHWBHY-AWEZNQCLSA-N 0 0 278.735 3.276 10 30 CGEERN CO[C@@H]1OC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C ZINC000584617846 346694374 /nfs/dbraw/zinc/69/43/74/346694374.db2.gz UUAMLNJMCBGCHT-SHRADXDESA-N 0 0 290.403 3.337 10 30 CGEERN CC1(C)O[C@](O)(C#Cc2ccccc2)c2ccccc21 ZINC000584619798 346695263 /nfs/dbraw/zinc/69/52/63/346695263.db2.gz DXYDEFYFZAZOKB-GOSISDBHSA-N 0 0 264.324 3.149 10 30 CGEERN COc1cc(OC)cc([C@H](C#N)CC(F)(F)F)c1 ZINC000584621497 346695721 /nfs/dbraw/zinc/69/57/21/346695721.db2.gz PRRZWYRGQKWVLG-VIFPVBQESA-N 0 0 259.227 3.263 10 30 CGEERN COc1cc2c(cc1OC)C1=CC(=O)CC[C@H]1CC2 ZINC000584630498 346698213 /nfs/dbraw/zinc/69/82/13/346698213.db2.gz JDJAGTFTIFZVKK-SNVBAGLBSA-N 0 0 258.317 3.013 10 30 CGEERN N#Cc1c(Br)cccc1N[C@@H]1CCC[C@H](O)C1 ZINC000589561969 346800571 /nfs/dbraw/zinc/80/05/71/346800571.db2.gz QFJSVJFZJNOEEQ-ZJUUUORDSA-N 0 0 295.180 3.036 10 30 CGEERN N#C[C@@H]1CCCC[C@H]1NCc1ccncc1Br ZINC000599466042 347746832 /nfs/dbraw/zinc/74/68/32/347746832.db2.gz YOQOJRCKJTZXNK-GXFFZTMASA-N 0 0 294.196 3.016 10 30 CGEERN CCC1CCC(CC=O)(NC(=O)OC(C)(C)C)CC1 ZINC000616568205 348833382 /nfs/dbraw/zinc/83/33/82/348833382.db2.gz GBOZTPWLFAIGPR-UHFFFAOYSA-N 0 0 269.385 3.439 10 30 CGEERN CC(=O)N1c2ccccc2NC[C@@H]1c1ccccc1C#N ZINC000616584115 348835906 /nfs/dbraw/zinc/83/59/06/348835906.db2.gz ISRZHECKASTLHB-QGZVFWFLSA-N 0 0 277.327 3.078 10 30 CGEERN COC(=O)N1c2ccccc2NC[C@H]1c1cccc(C#N)c1 ZINC000616683739 348866373 /nfs/dbraw/zinc/86/63/73/348866373.db2.gz JAWCCUXKVUKZAN-INIZCTEOSA-N 0 0 293.326 3.298 10 30 CGEERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)Oc1ccc(C#N)cc1 ZINC000117562024 186752457 /nfs/dbraw/zinc/75/24/57/186752457.db2.gz OUWGKDLOPPKSRN-BZNIZROVSA-N 0 0 279.295 3.028 10 30 CGEERN C=C[C@H](CC(=O)N[C@H](C)[C@H]1CCCO1)c1ccccc1 ZINC000152878770 188049726 /nfs/dbraw/zinc/04/97/26/188049726.db2.gz JSUVABADYOLRBW-IIAWOOMASA-N 0 0 273.376 3.030 10 30 CGEERN N#Cc1nc(NC2C3CC4CC(C3)CC2C4)ccc1[N+](=O)[O-] ZINC000302684763 138578677 /nfs/dbraw/zinc/57/86/77/138578677.db2.gz AUYHSBOZJFPJQM-UHFFFAOYSA-N 0 0 298.346 3.098 10 30 CGEERN Cc1nsc(N[C@@H](C)COCc2ccccc2)c1C#N ZINC000342292765 216295604 /nfs/dbraw/zinc/29/56/04/216295604.db2.gz JPMMHQNEGQTQFU-NSHDSACASA-N 0 0 287.388 3.340 10 30 CGEERN CCS[C@H]1CC[C@]1(O)CNc1cc(Cl)ccc1C#N ZINC000301488048 201025473 /nfs/dbraw/zinc/02/54/73/201025473.db2.gz IYCNTHMHJGHGBH-KBPBESRZSA-N 0 0 296.823 3.270 10 30 CGEERN CCS[C@H]1CC[C@@]1(O)CNc1ccc(Cl)cc1C#N ZINC000301495795 201030787 /nfs/dbraw/zinc/03/07/87/201030787.db2.gz SUUKTHLKNZRQHB-UONOGXRCSA-N 0 0 296.823 3.270 10 30 CGEERN C=CCc1c(O)ccc2cccc(CCNC(=O)CC)c21 ZINC000013781769 368666937 /nfs/dbraw/zinc/66/69/37/368666937.db2.gz WQEBNAQOYYUVMN-UHFFFAOYSA-N 0 0 283.371 3.343 10 30 CGEERN CCC(C)(C)N=C(Nc1nccs1)Nc1cccnc1 ZINC000013208043 368646228 /nfs/dbraw/zinc/64/62/28/368646228.db2.gz QFSDTQTUKIMXAD-UHFFFAOYSA-N 0 0 289.408 3.416 10 30 CGEERN CCOC(=O)c1ccc(-n2c(C)cc(/C=N\O)c2C)cc1 ZINC000015769722 368701541 /nfs/dbraw/zinc/70/15/41/368701541.db2.gz ZERMLJLHYKCEFI-YVLHZVERSA-N 0 0 286.331 3.079 10 30 CGEERN COc1ccccc1[C@@H]1O[C@H]1C(=O)c1c[nH]c2ccccc21 ZINC000015017509 368688030 /nfs/dbraw/zinc/68/80/30/368688030.db2.gz MBCHQEXCFXREOF-ROUUACIJSA-N 0 0 293.322 3.499 10 30 CGEERN C(=N/[C@@H]1CCCC[C@H]1/N=C/c1ccccn1)\c1ccccn1 ZINC000034150549 368972550 /nfs/dbraw/zinc/97/25/50/368972550.db2.gz VYIMTYRAXWNXFU-BGSCIDCASA-N 0 0 292.386 3.326 10 30 CGEERN C[C@H](CC#N)C(=O)c1cccc(Br)c1 ZINC000033426673 368964805 /nfs/dbraw/zinc/96/48/05/368964805.db2.gz NBDKHEIKRPQQDR-MRVPVSSYSA-N 0 0 252.111 3.182 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1csc2ccccc12 ZINC000061888256 369609722 /nfs/dbraw/zinc/60/97/22/369609722.db2.gz MCWFEBUHEHBLML-MFKMUULPSA-N 0 0 270.357 3.323 10 30 CGEERN Cc1cc(C)c(C(=O)N[C@@H]2CCC[C@@H]2C#N)c(C)c1 ZINC000061888871 369609754 /nfs/dbraw/zinc/60/97/54/369609754.db2.gz IHBHUHRNTKJQMW-ZIAGYGMSSA-N 0 0 256.349 3.034 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)Cc1ccc2ccccc2c1 ZINC000061888901 369609768 /nfs/dbraw/zinc/60/97/68/369609768.db2.gz HIRWFPIGJLCCIJ-DLBZAZTESA-N 0 0 278.355 3.191 10 30 CGEERN CCCN1CCc2cc(C#Cc3ccccc3)ccc2C1=O ZINC000066074106 369688510 /nfs/dbraw/zinc/68/85/10/369688510.db2.gz ODMRUSZTWJEVMY-UHFFFAOYSA-N 0 0 289.378 3.495 10 30 CGEERN Cc1onc2c1C(=O)C(Nc1ccccc1Cl)=CC2=O ZINC000100162845 370272333 /nfs/dbraw/zinc/27/23/33/370272333.db2.gz BQHRGQLEHXVLOR-UHFFFAOYSA-N 0 0 288.690 3.011 10 30 CGEERN FC(F)[C@@H](O[C@@H](C(F)F)C(F)(F)F)C(F)(F)F ZINC000100440155 370279231 /nfs/dbraw/zinc/27/92/31/370279231.db2.gz JZBQCJRCMQCPKE-XIXRPRMCSA-N 0 0 282.077 3.395 10 30 CGEERN Cc1nn(C)c(C)c1[C@H]1CCCN1c1ccc(C#N)cc1F ZINC000108951180 370358704 /nfs/dbraw/zinc/35/87/04/370358704.db2.gz XQPUCZPGMFKUOT-MRXNPFEDSA-N 0 0 298.365 3.389 10 30 CGEERN N#Cc1cccc(CNC(=O)[C@@H]2C[C@@H]2C2CCCCC2)c1 ZINC000133982738 371293726 /nfs/dbraw/zinc/29/37/26/371293726.db2.gz SSHLQSXPFDAYNR-IAGOWNOFSA-N 0 0 282.387 3.391 10 30 CGEERN CCC[C@@H](NCc1cc(C#N)cs1)C(=O)OC(C)(C)C ZINC000156580427 371986814 /nfs/dbraw/zinc/98/68/14/371986814.db2.gz JGFQKGNSHINZQU-CYBMUJFWSA-N 0 0 294.420 3.220 10 30 CGEERN N#Cc1ccc(CN2CCO[C@@H]3CCCC[C@@H]32)c(Cl)c1 ZINC000162894599 372431204 /nfs/dbraw/zinc/43/12/04/372431204.db2.gz AINIGKWPNVOHGP-JKSUJKDBSA-N 0 0 290.794 3.355 10 30 CGEERN N#Cc1cccc(CN2CCC[C@@H](O)c3ccccc32)c1 ZINC000168589032 372614479 /nfs/dbraw/zinc/61/44/79/372614479.db2.gz ZRAHHKDFJWXUIU-GOSISDBHSA-N 0 0 278.355 3.392 10 30 CGEERN N#Cc1ccc(N2CCC(Cc3ccccn3)CC2)cc1 ZINC000171631967 372798043 /nfs/dbraw/zinc/79/80/43/372798043.db2.gz VQHYIOXQXABGDR-UHFFFAOYSA-N 0 0 277.371 3.412 10 30 CGEERN CCc1cccc(Nc2ccc([N+](=O)[O-])c(C#N)n2)c1 ZINC000302708729 373935344 /nfs/dbraw/zinc/93/53/44/373935344.db2.gz HLACRTOAKUXBRI-UHFFFAOYSA-N 0 0 268.276 3.167 10 30 CGEERN CCC[C@@]1(COC)CCCN1c1snc(Cl)c1C#N ZINC000302800236 373967816 /nfs/dbraw/zinc/96/78/16/373967816.db2.gz BZNVFPQYAGCRQV-ZDUSSCGKSA-N 0 0 299.827 3.454 10 30 CGEERN C[C@H]1C[C@H](C(=O)Nc2ccc(C#N)cn2)CC(C)(C)C1 ZINC000180173102 373973978 /nfs/dbraw/zinc/97/39/78/373973978.db2.gz GSBNLDVAJGOXHF-AAEUAGOBSA-N 0 0 271.364 3.354 10 30 CGEERN CCSc1ccccc1NC(=O)C#CBr ZINC000306806755 374138506 /nfs/dbraw/zinc/13/85/06/374138506.db2.gz KUFZZKJRSJRRNI-UHFFFAOYSA-N 0 0 284.178 3.093 10 30 CGEERN CC[C@H](NC(=O)[C@@H]1CCc2n[nH]nc2C1)c1cccs1 ZINC000328916641 374392954 /nfs/dbraw/zinc/39/29/54/374392954.db2.gz ANZAXXYJBJPMPL-ZJUUUORDSA-N 0 0 290.392 3.079 10 30 CGEERN O=C(N[C@H]1CCCO[C@@H]1c1ccncc1)[C@@H]1CCSC1 ZINC000328654613 374375723 /nfs/dbraw/zinc/37/57/23/374375723.db2.gz LXZXSGPWSFFHLE-HZSPNIEDSA-N 0 0 292.404 3.011 10 30 CGEERN C[C@@H]1CCCN(C(=O)N[C@H]2CCC(=O)NC23CCC3)CC1 ZINC000328726157 374378543 /nfs/dbraw/zinc/37/85/43/374378543.db2.gz ZMXKRSIVODKQDN-OLZOCXBDSA-N 0 0 293.411 3.064 10 30 CGEERN C[C@@H]1CCCCCN1C(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328742230 374378565 /nfs/dbraw/zinc/37/85/65/374378565.db2.gz MSBITKUKHVHSRN-CHWSQXEVSA-N 0 0 293.411 3.207 10 30 CGEERN Cc1cn2c(n1)[C@H](CNC(=O)[C@H](C)c1cccnc1)CCC2 ZINC000328843165 374387047 /nfs/dbraw/zinc/38/70/47/374387047.db2.gz UWCRMPYMLJHXRH-HIFRSBDPSA-N 0 0 298.390 3.224 10 30 CGEERN CC(C)COc1ccc(NC(=O)N2C[C@H]3CCC[C@H]32)cn1 ZINC000329949383 374445522 /nfs/dbraw/zinc/44/55/22/374445522.db2.gz ZXNDCHXZRIUUHA-TZMCWYRMSA-N 0 0 289.379 3.146 10 30 CGEERN C[C@]1(C(=O)N[C@H]2CC23CCCCC3)CCCNC1=O ZINC000330318515 374453703 /nfs/dbraw/zinc/45/37/03/374453703.db2.gz QYHHMLUZXMGGTE-FZMZJTMJSA-N 0 0 264.369 3.422 10 30 CGEERN C=CC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000087107047 541942286 /nfs/dbraw/zinc/94/22/86/541942286.db2.gz HQCTZZNQJGTUQP-NEPJUHHUSA-N 0 0 264.344 3.459 10 30 CGEERN C=CCC[C@H](C(=O)N[C@H](C)[C@H]1CCCO1)c1ccccc1 ZINC000186603290 374884707 /nfs/dbraw/zinc/88/47/07/374884707.db2.gz 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/nfs/dbraw/zinc/63/74/15/376637415.db2.gz FFWLFWPGAYMWKG-MRVPVSSYSA-N 0 0 263.247 3.306 10 30 CGEERN C[C@@H](Nc1ccc([N+](=O)[O-])c(C#N)n1)c1ccccc1 ZINC000235260266 376637610 /nfs/dbraw/zinc/63/76/10/376637610.db2.gz BXNJIAUDWLLTPX-SNVBAGLBSA-N 0 0 268.276 3.035 10 30 CGEERN C=CC[C@H](C)NC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000246984798 377132169 /nfs/dbraw/zinc/13/21/69/377132169.db2.gz FSSHZMCFNBMLET-HBNTYKKESA-N 0 0 278.318 3.371 10 30 CGEERN C[C@@H]1CCC[C@](C#N)(NC(=O)[C@H]2CCCc3cccnc32)C1 ZINC000248842205 377411256 /nfs/dbraw/zinc/41/12/56/377411256.db2.gz RDPBOKAGLZYOBY-XUWXXGDYSA-N 0 0 297.402 3.090 10 30 CGEERN N#Cc1c(F)cccc1C(=O)C(F)(F)C(F)(F)F ZINC000575243212 377764579 /nfs/dbraw/zinc/76/45/79/377764579.db2.gz UKUWQAOGVQEUTD-UHFFFAOYSA-N 0 0 267.128 3.078 10 30 CGEERN COC(=O)c1cc(C(F)F)c(C(F)(F)F)cc1C#N ZINC000575343687 377883592 /nfs/dbraw/zinc/88/35/92/377883592.db2.gz BDSRBUVUVOSHDO-UHFFFAOYSA-N 0 0 279.164 3.301 10 30 CGEERN CCOC(=O)c1c(C#N)ccc(C(F)F)c1CC ZINC000575389997 377899045 /nfs/dbraw/zinc/89/90/45/377899045.db2.gz ZCRKOPMNGNHJKF-UHFFFAOYSA-N 0 0 253.248 3.235 10 30 CGEERN CCOC(=O)Cc1cc(C(F)(F)F)c(C#N)cc1Cl ZINC000575383082 377893594 /nfs/dbraw/zinc/89/35/94/377893594.db2.gz FWXHAMBBESOYTP-UHFFFAOYSA-N 0 0 291.656 3.336 10 30 CGEERN CCOC(=O)Cc1cc(C#N)c(C(F)(F)F)cc1Cl ZINC000575383040 377893756 /nfs/dbraw/zinc/89/37/56/377893756.db2.gz BQIRLPAQPIZWOS-UHFFFAOYSA-N 0 0 291.656 3.336 10 30 CGEERN COC(=O)Cc1c(C#N)c(C(F)F)ccc1C(F)(F)F ZINC000575387425 377895949 /nfs/dbraw/zinc/89/59/49/377895949.db2.gz NJGYYEJMVGDRAN-UHFFFAOYSA-N 0 0 293.191 3.230 10 30 CGEERN CCOC(=O)c1ccc(OC(F)(F)F)c(C#N)c1CC ZINC000575388997 377896030 /nfs/dbraw/zinc/89/60/30/377896030.db2.gz PMZHMGMXOLHZKC-UHFFFAOYSA-N 0 0 287.237 3.196 10 30 CGEERN N#CCc1cc(C#N)c(OC(F)(F)F)cc1OC(F)F ZINC000575641163 377925529 /nfs/dbraw/zinc/92/55/29/377925529.db2.gz WQYXEDGWTCWVRA-UHFFFAOYSA-N 0 0 292.163 3.124 10 30 CGEERN CCOc1cc(C#N)c(CC#N)cc1C(F)(F)F ZINC000575643866 377925815 /nfs/dbraw/zinc/92/58/15/377925815.db2.gz VOPHGHGMJXJBPH-UHFFFAOYSA-N 0 0 254.211 3.042 10 30 CGEERN CCOc1cc(CC#N)c(C(F)F)cc1OCC ZINC000575648618 377927205 /nfs/dbraw/zinc/92/72/05/377927205.db2.gz HKCIWBOMCFOHRL-UHFFFAOYSA-N 0 0 255.264 3.488 10 30 CGEERN CCOc1cc(CC#N)c(C(F)F)c(OCC)c1 ZINC000575650385 377928204 /nfs/dbraw/zinc/92/82/04/377928204.db2.gz OGQTWQCLRYLUPJ-UHFFFAOYSA-N 0 0 255.264 3.488 10 30 CGEERN Cc1cc(C#N)c(OC(F)F)cc1OC(F)(F)F ZINC000575664080 377939487 /nfs/dbraw/zinc/93/94/87/377939487.db2.gz ANBJPSFIMQFZMR-UHFFFAOYSA-N 0 0 267.153 3.367 10 30 CGEERN N#CCc1cc(OC(F)F)c([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000575667138 377945087 /nfs/dbraw/zinc/94/50/87/377945087.db2.gz OHVKOYYUGVDMMW-UHFFFAOYSA-N 0 0 296.151 3.281 10 30 CGEERN N#Cc1ccc(Br)c(F)c1OC(F)F ZINC000575679886 377953882 /nfs/dbraw/zinc/95/38/82/377953882.db2.gz FFKTWIFGCICVMQ-UHFFFAOYSA-N 0 0 266.016 3.061 10 30 CGEERN COC(=O)c1cc(SC(F)(F)F)cc(C)c1C#N ZINC000575394770 377902373 /nfs/dbraw/zinc/90/23/73/377902373.db2.gz NXWOZYIXYRHTKM-UHFFFAOYSA-N 0 0 275.251 3.265 10 30 CGEERN CCOC(=O)c1cc(C)c(C#N)c(C(F)(F)F)c1 ZINC000575395312 377902462 /nfs/dbraw/zinc/90/24/62/377902462.db2.gz XQOXUVAPTATCSG-UHFFFAOYSA-N 0 0 257.211 3.062 10 30 CGEERN CCOC(=O)c1c(C#N)c(C)ccc1C(F)(F)F ZINC000575394775 377902488 /nfs/dbraw/zinc/90/24/88/377902488.db2.gz OCPRTZMPXJRWJY-UHFFFAOYSA-N 0 0 257.211 3.062 10 30 CGEERN N#Cc1cc(C(F)(F)F)cc(Cl)c1[N+](=O)[O-] ZINC000575694144 377968049 /nfs/dbraw/zinc/96/80/49/377968049.db2.gz JJBAMJVPLHSQCT-UHFFFAOYSA-N 0 0 250.563 3.139 10 30 CGEERN N#Cc1cc(Cl)c(I)cc1Cl ZINC000575694264 377968641 /nfs/dbraw/zinc/96/86/41/377968641.db2.gz HTFWOYUFXBECIW-UHFFFAOYSA-N 0 0 297.910 3.470 10 30 CGEERN N#Cc1c(Cl)cc([N+](=O)[O-])cc1C(F)(F)F ZINC000575695864 377969434 /nfs/dbraw/zinc/96/94/34/377969434.db2.gz UHLNQJYOXKAWMX-UHFFFAOYSA-N 0 0 250.563 3.139 10 30 CGEERN Oc1cc(OC(F)(F)F)cc(C(F)(F)F)c1F ZINC000575703469 377977039 /nfs/dbraw/zinc/97/70/39/377977039.db2.gz GMNYSUCTWVTEOJ-UHFFFAOYSA-N 0 0 264.096 3.449 10 30 CGEERN Oc1cc(C(F)(F)F)c(F)cc1OC(F)(F)F ZINC000575703780 377977338 /nfs/dbraw/zinc/97/73/38/377977338.db2.gz JOUHUFVASRZRAA-UHFFFAOYSA-N 0 0 264.096 3.449 10 30 CGEERN Cn1cc([C@@H]2CCCN2c2cc(Cl)ccc2C#N)cn1 ZINC000266342932 190251027 /nfs/dbraw/zinc/25/10/27/190251027.db2.gz IMSZJRQOXRWJPQ-AWEZNQCLSA-N 0 0 286.766 3.287 10 30 CGEERN COc1ccc(C2=CC(=O)c3ccccc3C2=O)cc1 ZINC000000290937 169598795 /nfs/dbraw/zinc/59/87/95/169598795.db2.gz LRJQRCMQIHNXJH-UHFFFAOYSA-N 0 0 264.280 3.158 10 30 CGEERN CC1(CNC(=O)[C@@H]2CCCC(=O)N2)CCCCC1 ZINC000328881517 542445259 /nfs/dbraw/zinc/44/52/59/542445259.db2.gz LFVOETSLJMCDHG-NSHDSACASA-N 0 0 252.358 3.422 10 30 CGEERN CC[C@H](NC(=O)[C@H]1CCCCC(=O)N1)C1CCOCC1 ZINC000329832701 542449304 /nfs/dbraw/zinc/44/93/04/542449304.db2.gz GBZSCPRRNJHUAH-QWHCGFSZSA-N 0 0 282.384 3.047 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC000332792653 542450938 /nfs/dbraw/zinc/45/09/38/542450938.db2.gz FAXATVHJNCZDLH-JKJDWNRSSA-N 0 0 274.408 3.401 10 30 CGEERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1C=CCCC1 ZINC000329228925 533424043 /nfs/dbraw/zinc/42/40/43/533424043.db2.gz IYUXSPYSPRYMSB-BFHYXJOUSA-N 0 0 299.436 3.045 10 30 CGEERN C=C(CC)CC(=O)[C@@H](C)NC(=O)OCc1ccccc1 ZINC000406088317 542628025 /nfs/dbraw/zinc/62/80/25/542628025.db2.gz DQXIKHDCEJDIRU-CYBMUJFWSA-N 0 0 275.348 3.227 10 30 CGEERN Cc1nsc(N[C@H]2CCc3ccccc32)c1C#N ZINC000285989993 392360280 /nfs/dbraw/zinc/36/02/80/392360280.db2.gz CPPVPFSIUMUUPA-ZDUSSCGKSA-N 0 0 255.346 3.423 10 30 CGEERN CC[C@H](C)[C@H](C)C(=O)N1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000366214042 392451483 /nfs/dbraw/zinc/45/14/83/392451483.db2.gz ZSZQYHGJZFAOTB-MPTYRVRUSA-N 0 0 292.423 3.122 10 30 CGEERN CCc1cnc([C@H](C)Nc2ncccc2C#N)s1 ZINC000136407785 392477440 /nfs/dbraw/zinc/47/74/40/392477440.db2.gz KNBGGRKWKLMHNX-VIFPVBQESA-N 0 0 258.350 3.145 10 30 CGEERN CCc1cnc([C@@H](C)Nc2ccc(C#N)cn2)s1 ZINC000136407451 392477586 /nfs/dbraw/zinc/47/75/86/392477586.db2.gz SPGYXFJMNUMPAA-SECBINFHSA-N 0 0 258.350 3.145 10 30 CGEERN CC(C)(C)c1ccc(C(=O)N[C@@H]2CCC[C@@H]2C#N)s1 ZINC000408321997 392972398 /nfs/dbraw/zinc/97/23/98/392972398.db2.gz WJAKTPQZWPFPJZ-GHMZBOCLSA-N 0 0 276.405 3.468 10 30 CGEERN N#CC1(NCc2ccccc2)CCC(F)(F)CC1 ZINC000575469363 393200132 /nfs/dbraw/zinc/20/01/32/393200132.db2.gz MGKACPSAGDZQOY-UHFFFAOYSA-N 0 0 250.292 3.248 10 30 CGEERN Cc1c(C#CCO)c2ccccc2n1C(=O)OC(C)(C)C ZINC000669382215 543103824 /nfs/dbraw/zinc/10/38/24/543103824.db2.gz IWIXVWUWQAUVKD-UHFFFAOYSA-N 0 0 285.343 3.077 10 30 CGEERN S=C(N/N=C\c1cccc(Cl)c1)NC1CCCCC1 ZINC000033361700 296596569 /nfs/dbraw/zinc/59/65/69/296596569.db2.gz MHWOEVRTBWDRKB-YBEGLDIGSA-N 0 0 295.839 3.471 10 30 CGEERN C[C@@H](Oc1ccc(C#N)cc1)C(=O)c1ccc(F)cc1 ZINC000005868458 170149047 /nfs/dbraw/zinc/14/90/47/170149047.db2.gz AFEYPDNYZWTMCP-LLVKDONJSA-N 0 0 269.275 3.348 10 30 CGEERN N#Cc1ccc(Sc2cccc(N)c2C#N)cc1 ZINC000005932911 170157043 /nfs/dbraw/zinc/15/70/43/170157043.db2.gz IYASOLYZZFTVGV-UHFFFAOYSA-N 0 0 251.314 3.163 10 30 CGEERN COc1cccc(/C=N/c2ccc3nccnc3c2)c1 ZINC000006248293 170185183 /nfs/dbraw/zinc/18/51/83/170185183.db2.gz KLKVLRPPOKRZBD-YBFXNURJSA-N 0 0 263.300 3.389 10 30 CGEERN CCCCCOc1ccc(CN=NC(=S)NC)cc1 ZINC000006635262 170220996 /nfs/dbraw/zinc/22/09/96/170220996.db2.gz BMJVRGUIQAMNBU-LFIBNONCSA-N 0 0 279.409 3.095 10 30 CGEERN COc1ccc(C=NNc2ccc(F)cc2)cc1OC ZINC000007949035 170308820 /nfs/dbraw/zinc/30/88/20/170308820.db2.gz QKNOBZDEXPZDMZ-LICLKQGHSA-N 0 0 274.295 3.289 10 30 CGEERN COc1ccc(/C(=N\O)c2nccc3ccccc32)cc1 ZINC000008473639 170336724 /nfs/dbraw/zinc/33/67/24/170336724.db2.gz NLJBSADEFQWDLJ-KNTRCKAVSA-N 0 0 278.311 3.470 10 30 CGEERN C#CCn1c2ccccc2nc1-c1ccccc1F ZINC000008787472 170356078 /nfs/dbraw/zinc/35/60/78/170356078.db2.gz ONFOORHJUFBNBS-UHFFFAOYSA-N 0 0 250.276 3.476 10 30 CGEERN N#CCCN(C(=O)Cc1ccccc1)c1ccccc1 ZINC000019479246 170809124 /nfs/dbraw/zinc/80/91/24/170809124.db2.gz RZXJWQNONGPFMM-UHFFFAOYSA-N 0 0 264.328 3.176 10 30 CGEERN C[C@@H](OCc1cccc(/C(N)=N/O)c1)c1ccccc1 ZINC000019485660 170812296 /nfs/dbraw/zinc/81/22/96/170812296.db2.gz NALMUNIJQYKRDZ-GFCCVEGCSA-N 0 0 270.332 3.059 10 30 CGEERN N#Cc1ccnc(NC23CC4CC(CC(C4)C2)C3)c1 ZINC000019804389 170873843 /nfs/dbraw/zinc/87/38/43/170873843.db2.gz HYUDABPGFHPEIX-UHFFFAOYSA-N 0 0 253.349 3.334 10 30 CGEERN CN[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC000020378215 171172126 /nfs/dbraw/zinc/17/21/26/171172126.db2.gz DZKWNVGHLOGURY-INIZCTEOSA-N 0 0 252.317 3.050 10 30 CGEERN CC(N=NC(=S)N1CCCC1)c1nccc2ccccc21 ZINC000027989615 171542216 /nfs/dbraw/zinc/54/22/16/171542216.db2.gz XZPYHXHNSZBVPF-LDADJPATSA-N 0 0 298.415 3.340 10 30 CGEERN CC1(C)CSC(Nc2cccc3ncccc32)=N1 ZINC000035057323 171960527 /nfs/dbraw/zinc/96/05/27/171960527.db2.gz AMNBREGMYRCEIQ-UHFFFAOYSA-N 0 0 257.362 3.337 10 30 CGEERN C=C(C)C(=O)NCCc1nc2ccccc2n1CCCCC ZINC000035144437 172010199 /nfs/dbraw/zinc/01/01/99/172010199.db2.gz VNSXXHDOZRHDBC-UHFFFAOYSA-N 0 0 299.418 3.461 10 30 CGEERN S=c1[nH]ncn1N=Cc1ccc(Cl)c(Cl)c1 ZINC000035418215 172190115 /nfs/dbraw/zinc/19/01/15/172190115.db2.gz YQXFXCFBVORLJQ-PQMHYQBVSA-N 0 0 273.148 3.130 10 30 CGEERN N#C[C@H](NC1CCCCC1)c1cc(F)ccc1F ZINC000037969549 173917967 /nfs/dbraw/zinc/91/79/67/173917967.db2.gz NXLDEFCSQJZRSG-AWEZNQCLSA-N 0 0 250.292 3.452 10 30 CGEERN COc1ccc([C@@H](C#N)NCC(C)C)cc1Br ZINC000038052233 174064094 /nfs/dbraw/zinc/06/40/94/174064094.db2.gz SNQYQPFVISVXSW-GFCCVEGCSA-N 0 0 297.196 3.268 10 30 CGEERN N#Cc1onc2ccc3c(ncn3Cc3ccccc3)c12 ZINC000040177412 174202265 /nfs/dbraw/zinc/20/22/65/174202265.db2.gz YMKICTDLIFSIQI-UHFFFAOYSA-N 0 0 274.283 3.097 10 30 CGEERN N#C[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccccc1 ZINC000040215216 174204559 /nfs/dbraw/zinc/20/45/59/174204559.db2.gz DUFQNTYRBZAWMC-HNNXBMFYSA-N 0 0 284.746 3.264 10 30 CGEERN Cc1ccc([C@H]2CCCCN2C(=O)c2ccc(C#N)cn2)o1 ZINC000127763388 287295648 /nfs/dbraw/zinc/29/56/48/287295648.db2.gz CSPZXZKJMQPODD-OAHLLOKOSA-N 0 0 295.342 3.222 10 30 CGEERN N#CCCN(Cc1cc(Br)cs1)C1CC1 ZINC000043687121 175094582 /nfs/dbraw/zinc/09/45/82/175094582.db2.gz DRJDZUPBYXWSEE-UHFFFAOYSA-N 0 0 285.210 3.389 10 30 CGEERN N#Cc1c(Cl)[nH]c2ccc(Br)cc12 ZINC000071465454 176181420 /nfs/dbraw/zinc/18/14/20/176181420.db2.gz IOTWKYTXQAYRTH-UHFFFAOYSA-N 0 0 255.502 3.455 10 30 CGEERN Cc1ccc([C@@H]2CCCCN2C(=O)c2cc(C#N)cn2C)o1 ZINC000177449860 224634152 /nfs/dbraw/zinc/63/41/52/224634152.db2.gz ROPRDZLWCJCAEW-AWEZNQCLSA-N 0 0 297.358 3.166 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)Cc1c(Cl)cccc1Cl ZINC000335296732 226238179 /nfs/dbraw/zinc/23/81/79/226238179.db2.gz MMCZOTJCBBRSQV-ZANVPECISA-N 0 0 297.185 3.344 10 30 CGEERN Cc1cnc([C@@H](C)NC(=O)N2CCc3ccsc3C2)o1 ZINC000329426769 227507837 /nfs/dbraw/zinc/50/78/37/227507837.db2.gz JADRXCHFBRWUOD-SNVBAGLBSA-N 0 0 291.376 3.078 10 30 CGEERN Cc1nc(CC2CC2)sc1C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000330033756 228022730 /nfs/dbraw/zinc/02/27/30/228022730.db2.gz VVCUVBSJYHYPJV-VXGBXAGGSA-N 0 0 289.404 3.401 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1ccc2c3c(cccc31)CC2 ZINC000330053340 228027275 /nfs/dbraw/zinc/02/72/75/228027275.db2.gz QGHZGMMHWWATJS-PBHICJAKSA-N 0 0 290.366 3.360 10 30 CGEERN O=C(Nc1cccc(-n2cccn2)c1)N1CC[C@@H]2CCC[C@H]21 ZINC000330226492 228072913 /nfs/dbraw/zinc/07/29/13/228072913.db2.gz BOGSYLRLYHZXAF-XJKSGUPXSA-N 0 0 296.374 3.292 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCN1c1ccccc1 ZINC000330244803 228078107 /nfs/dbraw/zinc/07/81/07/228078107.db2.gz XIVFFXOYJKFGHH-BPUTZDHNSA-N 0 0 283.375 3.304 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)NC[C@@H]1C[C@H]1C1CCCCC1 ZINC000333659770 228209224 /nfs/dbraw/zinc/20/92/24/228209224.db2.gz WEQVFEDLBHVFJU-UGUYLWEFSA-N 0 0 289.423 3.194 10 30 CGEERN N#C[C@]1(c2nc([C@@H]3CCCS3)no2)CC12CCCC2 ZINC000333229670 228194415 /nfs/dbraw/zinc/19/44/15/228194415.db2.gz XWTDIQQQBMDOBT-HZMBPMFUSA-N 0 0 275.377 3.363 10 30 CGEERN C=CC(=O)C#CC#CC[C@@H]1O[C@H]1CCCCCCC ZINC000070451103 260267306 /nfs/dbraw/zinc/26/73/06/260267306.db2.gz WIONCQLWGYLTME-IRXDYDNUSA-N 0 0 258.361 3.266 10 30 endogenous,in-man CGEERN C[C@@H]1C[C@H](C(=O)N[C@H]2CCC[C@@H]2C#N)CC(C)(C)C1 ZINC000408157857 260315538 /nfs/dbraw/zinc/31/55/38/260315538.db2.gz HEBIZYYZMWNYTI-MQYQWHSLSA-N 0 0 262.397 3.257 10 30 CGEERN CC1(C)C[C@@H](NC(=O)C2(C#N)CCCC2)c2ccccc2O1 ZINC000121682787 260712826 /nfs/dbraw/zinc/71/28/26/260712826.db2.gz VHYNFVVPZQAIHH-CQSZACIVSA-N 0 0 298.386 3.489 10 30 CGEERN N#CC1(NC(=O)C2C3CC4CC(C3)CC2C4)CCCC1 ZINC000105997858 261364115 /nfs/dbraw/zinc/36/41/15/261364115.db2.gz GGAWYVGTSJRTAH-UHFFFAOYSA-N 0 0 272.392 3.011 10 30 CGEERN C[C@@H](CC1CC1)NC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C ZINC000328999919 263913326 /nfs/dbraw/zinc/91/33/26/263913326.db2.gz GPWIMMKRRFMZTA-NJZAAPMLSA-N 0 0 291.395 3.033 10 30 CGEERN CC(C)(C)OC(=O)n1cc(C#N)c2cccc([N+](=O)[O-])c21 ZINC000299889725 275523945 /nfs/dbraw/zinc/52/39/45/275523945.db2.gz NVUGVZFXBNUPAB-UHFFFAOYSA-N 0 0 287.275 3.204 10 30 CGEERN C=C[C@@](C)(CCOC)C(=O)N[C@@H](C)c1ccccc1C ZINC000187978557 277908294 /nfs/dbraw/zinc/90/82/94/277908294.db2.gz KRHQZJBYJXRJGJ-YOEHRIQHSA-N 0 0 275.392 3.401 10 30 CGEERN Cc1c(C)n(-c2ccc(Cl)cc2F)c(N)c1C#N ZINC000042592537 280223538 /nfs/dbraw/zinc/22/35/38/280223538.db2.gz LVTTZALNOQPQOO-UHFFFAOYSA-N 0 0 263.703 3.341 10 30 CGEERN C[C@@H]1CN(c2c(Cl)cccc2C#N)CCS1 ZINC000174728228 288255330 /nfs/dbraw/zinc/25/53/30/288255330.db2.gz DBBRTOUZCORUKI-SECBINFHSA-N 0 0 252.770 3.153 10 30 CGEERN N[C@H](c1ccc(F)c(C(F)(F)F)c1)C(F)(F)F ZINC000072195535 295332584 /nfs/dbraw/zinc/33/25/84/295332584.db2.gz KTNMOVWRPUNAPN-SSDOTTSWSA-N 0 0 261.140 3.407 10 30 CGEERN C[C@H]1C[C@H](C(=O)Nc2ccn(CCC#N)n2)CC(C)(C)C1 ZINC000180634196 327806498 /nfs/dbraw/zinc/80/64/98/327806498.db2.gz LWVUHGFQJIDJPL-STQMWFEESA-N 0 0 288.395 3.198 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NCc1ccc2ncccc2c1 ZINC000069502088 326902251 /nfs/dbraw/zinc/90/22/51/326902251.db2.gz UZUGXROHVOOMEZ-GJZGRUSLSA-N 0 0 251.333 3.017 10 30 CGEERN C=CCOCCCC(=O)N1CC=C(c2ccccc2)CC1 ZINC000173065667 329139964 /nfs/dbraw/zinc/13/99/64/329139964.db2.gz NHNRGDWJXSRERH-UHFFFAOYSA-N 0 0 285.387 3.285 10 30 CGEERN C[C@H]1C[C@@H](C(=O)N(C)C2(C#N)CCC2)CC(C)(C)C1 ZINC000182223031 329240982 /nfs/dbraw/zinc/24/09/82/329240982.db2.gz GQDLRCNWCYWOPZ-QWHCGFSZSA-N 0 0 262.397 3.353 10 30 CGEERN C#CCC(C)(C)C(=O)N1C[C@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000185624283 329328049 /nfs/dbraw/zinc/32/80/49/329328049.db2.gz PIKVUVOXEYFGGP-GOEBONIOSA-N 0 0 299.414 3.449 10 30 CGEERN C=CCN(CC(F)(F)F)C(=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000117626801 329546459 /nfs/dbraw/zinc/54/64/59/329546459.db2.gz YDSQLYGLGXPVPX-GXFFZTMASA-N 0 0 299.292 3.128 10 30 CGEERN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CC[C@@H](C)O1 ZINC000123725068 329562070 /nfs/dbraw/zinc/56/20/70/329562070.db2.gz FPOMRXROLNJQMP-PWSUYJOCSA-N 0 0 299.823 3.484 10 30 CGEERN C=C(C)CNC(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000156480427 334743200 /nfs/dbraw/zinc/74/32/00/334743200.db2.gz DIPUYHJDCFOQHL-CQSZACIVSA-N 0 0 262.328 3.078 10 30 CGEERN Cc1ccc(-n2cccn2)cc1NC(=O)N1C[C@@H]2CCC[C@@H]21 ZINC000330031158 534239989 /nfs/dbraw/zinc/23/99/89/534239989.db2.gz STVNBLVUFMKGDM-BBRMVZONSA-N 0 0 296.374 3.211 10 30 CGEERN C=CC[C@@H](CO)NC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000183828373 519101394 /nfs/dbraw/zinc/10/13/94/519101394.db2.gz SIYWUWQUWPZCPP-DYVFJYSZSA-N 0 0 298.386 3.137 10 30 CGEERN C=CC[C@H](CO)NC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000183828388 519113977 /nfs/dbraw/zinc/11/39/77/519113977.db2.gz SIYWUWQUWPZCPP-SUMWQHHRSA-N 0 0 298.386 3.137 10 30 CGEERN C=C[C@](C)(CC)C(=O)NCC[C@@H](C)NC(=O)OC(C)(C)C ZINC000187845269 519303278 /nfs/dbraw/zinc/30/32/78/519303278.db2.gz CMVNOWXNIUWHLJ-MLGOLLRUSA-N 0 0 298.427 3.008 10 30 CGEERN CCc1ccc([C@H](C)Nc2nccnc2C#N)cc1 ZINC000054377579 524048394 /nfs/dbraw/zinc/04/83/94/524048394.db2.gz UXRHOGYSQACRMR-NSHDSACASA-N 0 0 252.321 3.084 10 30 CGEERN Cc1ccc(N(C)CCC#N)cc1Br ZINC000049839622 524887012 /nfs/dbraw/zinc/88/70/12/524887012.db2.gz OJXRAOCTPXZFJW-UHFFFAOYSA-N 0 0 253.143 3.107 10 30 CGEERN Cc1ccc(N(C)CCC#N)c(Br)c1 ZINC000049839631 524887028 /nfs/dbraw/zinc/88/70/28/524887028.db2.gz SUHNSGAENLHKNU-UHFFFAOYSA-N 0 0 253.143 3.107 10 30 CGEERN Cc1nc(C)c(CNC(=O)[C@@H]2CCc3ccccc32)o1 ZINC000329179966 534881290 /nfs/dbraw/zinc/88/12/90/534881290.db2.gz NQFXWXLRVMNLAL-CQSZACIVSA-N 0 0 270.332 3.478 10 30 CGEERN N#CCCCCOc1ccc(N)cc1C(F)(F)F ZINC000049578168 526444879 /nfs/dbraw/zinc/44/48/79/526444879.db2.gz ZHRZPFOWTQYKCX-UHFFFAOYSA-N 0 0 258.243 3.360 10 30 CGEERN N#Cc1ccc(-n2c3ccc(N)cc3nc2C2CC2)cc1 ZINC000052842397 526583945 /nfs/dbraw/zinc/58/39/45/526583945.db2.gz LAABFHUUSLQHFH-UHFFFAOYSA-N 0 0 274.327 3.357 10 30 CGEERN F/C(=N\C(F)(F)F)N(C(F)(F)F)C(F)(F)F ZINC000100085597 534973208 /nfs/dbraw/zinc/97/32/08/534973208.db2.gz UMQCQDFKJYNLAQ-JPCFUAGBSA-N 0 0 266.038 3.173 10 30 CGEERN C#CCOCCC(=O)N[C@H](C)c1ccc(CC(C)C)cc1 ZINC000158969660 618941234 /nfs/dbraw/zinc/94/12/34/618941234.db2.gz BKXWNTCZZHWLEU-OAHLLOKOSA-N 0 0 287.403 3.102 10 30 CGEERN COc1ccc(C/N=C\c2cccc([N+](=O)[O-])c2)cc1 ZINC000229739539 623159595 /nfs/dbraw/zinc/15/95/95/623159595.db2.gz XPJKPMBMEILNOA-WJDWOHSUSA-N 0 0 270.288 3.223 10 30 CGEERN C#CCCCNC(=O)[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000172943758 623297773 /nfs/dbraw/zinc/29/77/73/623297773.db2.gz PTFALCFPRVVVJB-SJORKVTESA-N 0 0 269.388 3.443 10 30 CGEERN C=CCCO[C@H](C)C(=O)O[C@@H](C)Cc1ccc(OC)cc1 ZINC000102970276 626189026 /nfs/dbraw/zinc/18/90/26/626189026.db2.gz NPPAMMJMIGFYTH-UONOGXRCSA-N 0 0 292.375 3.151 10 30 CGEERN C#Cc1cccc(N(Cc2ccco2)C(=O)[C@@H](C)COC)c1 ZINC000103394351 626336807 /nfs/dbraw/zinc/33/68/07/626336807.db2.gz RHZOWERNHNSUID-AWEZNQCLSA-N 0 0 297.354 3.077 10 30 CGEERN CCCCC(=O)OCCOc1c(C#N)cnc2ccccc21 ZINC000102145798 634544646 /nfs/dbraw/zinc/54/46/46/634544646.db2.gz JNJZIKJBUREJOR-UHFFFAOYSA-N 0 0 298.342 3.219 10 30 CGEERN Cc1ccncc1NCc1ccc(O[C@@H](C)C#N)cc1 ZINC000119019363 629420872 /nfs/dbraw/zinc/42/08/72/629420872.db2.gz CMHPSGXCNLCIPF-ZDUSSCGKSA-N 0 0 267.332 3.293 10 30 CGEERN CCOc1cccc(/C=N/[C@@H]2COc3ccccc32)c1O ZINC000194595350 640543100 /nfs/dbraw/zinc/54/31/00/640543100.db2.gz BZMXEUYMZFRMHM-YFEUJDIGSA-N 0 0 283.327 3.344 10 30 CGEERN C[C@H](OC(=O)/C=C/c1ccccc1C#N)C1CCC1 ZINC000083149556 640594672 /nfs/dbraw/zinc/59/46/72/640594672.db2.gz HXBPVWKDSDVXBB-VMPCVLLUSA-N 0 0 255.317 3.303 10 30 CGEERN Cn1cccc1/C=C1/CS/C(=C\c2cccn2C)C1=O ZINC000096448699 640830072 /nfs/dbraw/zinc/83/00/72/640830072.db2.gz XWSGKXFRZAGMGT-XEQUUTRQSA-N 0 0 284.384 3.104 10 30 CGEERN C#CC[C@H](OC(=O)/C=C\c1scnc1C)C(C)(C)C ZINC000588539669 799709548 /nfs/dbraw/zinc/70/95/48/799709548.db2.gz BWGSNLFLABDNBD-YXVBKTCISA-N 0 0 277.389 3.446 10 30 CGEERN N#Cc1ccc(CON=Cc2cccs2)cc1F ZINC000588581563 799717265 /nfs/dbraw/zinc/71/72/65/799717265.db2.gz SCKMBMCQVIUJOE-UHFFFAOYSA-N 0 0 260.293 3.310 10 30 CGEERN CCCCCCC[NH2+]Cc1cc(C(=O)[O-])c(C)n1C ZINC000703781273 977200311 /nfs/dbraw/zinc/20/03/11/977200311.db2.gz VYIJRWSUABVQAZ-UHFFFAOYSA-N 0 0 266.385 3.092 10 30 CGEERN N#CC[C@@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000082825328 178321236 /nfs/dbraw/zinc/32/12/36/178321236.db2.gz JEYUPPIXMSGVJJ-AWEZNQCLSA-N 0 0 251.333 3.265 10 30 CGEERN CN(c1cnc(C#N)cn1)[C@H](c1ccc(F)cc1)C1CC1 ZINC000126099434 187216940 /nfs/dbraw/zinc/21/69/40/187216940.db2.gz IFRPDPBGONADJB-INIZCTEOSA-N 0 0 282.322 3.075 10 30 CGEERN CCc1nc2cc(NCc3ccc(C#N)o3)ccc2o1 ZINC000156620226 529748455 /nfs/dbraw/zinc/74/84/55/529748455.db2.gz XMCDBVIZPFDMBM-UHFFFAOYSA-N 0 0 267.288 3.467 10 30 CGEERN O=C(CCc1ccccc1)c1ccc(OC[C@H]2CO2)cc1 ZINC000001717381 344856246 /nfs/dbraw/zinc/85/62/46/344856246.db2.gz LMSJWHKIHIJVRK-KRWDZBQOSA-N 0 0 282.339 3.280 10 30 CGEERN O=C(/C=C/c1ccccc1)c1ccc(OC[C@H]2CO2)cc1 ZINC000016931697 344886799 /nfs/dbraw/zinc/88/67/99/344886799.db2.gz ZHRJQHWCLNECDL-CEUCYRDJSA-N 0 0 280.323 3.360 10 30 CGEERN CC[C@H](C)[C@@](C#N)(CCN1CCOCC1)c1ccccc1 ZINC000031554832 344926914 /nfs/dbraw/zinc/92/69/14/344926914.db2.gz KUSPAVYMGQSRFN-WMZOPIPTSA-N 0 0 286.419 3.216 10 30 CGEERN CN(C)c1ccc(Sc2ccc(N)c(C#N)c2)cc1 ZINC000032267448 344930142 /nfs/dbraw/zinc/93/01/42/344930142.db2.gz NHJRYICNXZYCIJ-UHFFFAOYSA-N 0 0 269.373 3.358 10 30 CGEERN Cc1ccc(-c2ccccc2C(=O)NCCC#N)cc1 ZINC000034293946 344938345 /nfs/dbraw/zinc/93/83/45/344938345.db2.gz WMZLYAIFNUASPN-UHFFFAOYSA-N 0 0 264.328 3.306 10 30 CGEERN C#Cc1cc(-c2ccccn2)nc(-c2ccccn2)c1 ZINC000039079925 344957221 /nfs/dbraw/zinc/95/72/21/344957221.db2.gz ZZANNDBAWDILOJ-UHFFFAOYSA-N 0 0 257.296 3.187 10 30 CGEERN C[C@@H](N[C@@H](C)C#N)c1cccc(Br)c1 ZINC000043515100 345000400 /nfs/dbraw/zinc/00/04/00/345000400.db2.gz JZFQCBRSLFCRLF-DTWKUNHWSA-N 0 0 253.143 3.012 10 30 CGEERN C=CCOc1ccc(C(=O)N[C@@H](C)C(C)C)cc1OC ZINC000053495438 345122332 /nfs/dbraw/zinc/12/23/32/345122332.db2.gz NQYTVEHFONOXJL-LBPRGKRZSA-N 0 0 277.364 3.034 10 30 CGEERN CO/N=C(\Cc1ccccc1)c1ccc(OC)cc1 ZINC000072101291 345406346 /nfs/dbraw/zinc/40/63/46/345406346.db2.gz YUPCCDIPPINZRA-WUKNDPDISA-N 0 0 255.317 3.288 10 30 CGEERN N#Cc1c(Cl)nsc1N1CC[C@@H]2CCCC[C@H]21 ZINC000080972493 345693472 /nfs/dbraw/zinc/69/34/72/345693472.db2.gz YYNLOJDYYLLLSX-WCBMZHEXSA-N 0 0 267.785 3.437 10 30 CGEERN CCOC(=O)CC[C@@H](C)Nc1ccc(Cl)cc1C#N ZINC000089656951 345773219 /nfs/dbraw/zinc/77/32/19/345773219.db2.gz NYRANGSKRPRECZ-SNVBAGLBSA-N 0 0 280.755 3.355 10 30 CGEERN CCc1nn(C)cc1CNc1ccc2cc(C#N)ccc2n1 ZINC000092959805 345864790 /nfs/dbraw/zinc/86/47/90/345864790.db2.gz ZYXZXUDPGGMBLL-UHFFFAOYSA-N 0 0 291.358 3.014 10 30 CGEERN N#Cc1ccc(NCC[C@@H]2CCCO2)c(Br)c1 ZINC000126195422 346022826 /nfs/dbraw/zinc/02/28/26/346022826.db2.gz MIJUSFMLFNWQLJ-NSHDSACASA-N 0 0 295.180 3.302 10 30 CGEERN COc1ccc(C(=O)C#Cc2ccc(OC)cc2C)cc1 ZINC000136585167 346091422 /nfs/dbraw/zinc/09/14/22/346091422.db2.gz QCSVPIJRTHJVOV-UHFFFAOYSA-N 0 0 280.323 3.247 10 30 CGEERN N#CCc1cccc(-c2nnc(-c3ccc(F)nc3)o2)c1 ZINC000139999114 346102127 /nfs/dbraw/zinc/10/21/27/346102127.db2.gz QPWKRWCXDWHYKQ-UHFFFAOYSA-N 0 0 280.262 3.004 10 30 CGEERN CSc1ccc(C#C[C@H](O)c2ccccc2)cc1 ZINC000140416615 346104545 /nfs/dbraw/zinc/10/45/45/346104545.db2.gz RAWKWYYPAMCBBG-INIZCTEOSA-N 0 0 254.354 3.494 10 30 CGEERN N#Cc1ccc2cc(I)ccc2c1 ZINC000142237384 346110696 /nfs/dbraw/zinc/11/06/96/346110696.db2.gz RHKDQRQXLBGMSB-UHFFFAOYSA-N 0 0 279.080 3.316 10 30 CGEERN C=CC[C@H](C)Nc1ccc(Br)cc1N ZINC000162509340 346178623 /nfs/dbraw/zinc/17/86/23/346178623.db2.gz OITSAIGDLACZJX-QMMMGPOBSA-N 0 0 255.159 3.408 10 30 CGEERN CCCCCCOC1=CC(=O)C(=O)c2ccccc21 ZINC000166326981 346186229 /nfs/dbraw/zinc/18/62/29/346186229.db2.gz MOAJEROPBCJYDM-UHFFFAOYSA-N 0 0 258.317 3.390 10 30 CGEERN C[C@H](O)c1ccncc1-c1ccc(C#N)c(OC(F)F)c1 ZINC000166613187 346186867 /nfs/dbraw/zinc/18/68/67/346186867.db2.gz ZNSYNMRXKMQTFB-VIFPVBQESA-N 0 0 290.269 3.275 10 30 CGEERN COC(=O)[C@](C)(c1cccc(C#N)c1)C1CCCC1 ZINC000169044687 346191946 /nfs/dbraw/zinc/19/19/46/346191946.db2.gz JNOWXZAHLXSXIL-INIZCTEOSA-N 0 0 257.333 3.179 10 30 CGEERN CCCc1cc(F)c(-c2cnc(C#N)nc2)c(F)c1 ZINC000220165162 346296008 /nfs/dbraw/zinc/29/60/08/346296008.db2.gz QHDXWHWCMGWKIR-UHFFFAOYSA-N 0 0 259.259 3.246 10 30 CGEERN CC1(Nc2cc(Br)cc(C#N)c2)CC1 ZINC000227629736 346310109 /nfs/dbraw/zinc/31/01/09/346310109.db2.gz FBJPNABFAUCTNC-UHFFFAOYSA-N 0 0 251.127 3.285 10 30 CGEERN CC[C@@H](C#N)[C@@H](O)c1sccc1Br ZINC000228024297 346312844 /nfs/dbraw/zinc/31/28/44/346312844.db2.gz CADZIEJVZIWQFF-POYBYMJQSA-N 0 0 260.156 3.094 10 30 CGEERN N#CCNc1c(Br)cccc1Br ZINC000232123993 346324740 /nfs/dbraw/zinc/32/47/40/346324740.db2.gz CUCNLQQRFNTDFS-UHFFFAOYSA-N 0 0 289.958 3.147 10 30 CGEERN N#Cc1ccc(-c2nc(C3CCCCCC3)no2)nc1 ZINC000236254861 346339959 /nfs/dbraw/zinc/33/99/59/346339959.db2.gz PHLZOSQBTMJXNI-UHFFFAOYSA-N 0 0 268.320 3.441 10 30 CGEERN N#CC[C@@H](O)c1ccc(Br)c(Cl)c1 ZINC000236554230 346340386 /nfs/dbraw/zinc/34/03/86/346340386.db2.gz IHKHTGFDLSRCHZ-SECBINFHSA-N 0 0 260.518 3.050 10 30 CGEERN COC(=O)c1ccc(N=Cc2ccccc2[N+](=O)[O-])cc1 ZINC000257353009 346400208 /nfs/dbraw/zinc/40/02/08/346400208.db2.gz OUPXWICPRKHZRU-UHFFFAOYSA-N 0 0 284.271 3.132 10 30 CGEERN N#Cc1c(Br)cccc1NCCCF ZINC000306314365 346452924 /nfs/dbraw/zinc/45/29/24/346452924.db2.gz POQMYFLOXMNKRH-UHFFFAOYSA-N 0 0 257.106 3.092 10 30 CGEERN COC(=O)c1cc(-c2cccs2)nc(Cl)c1C#N ZINC000409442521 346606269 /nfs/dbraw/zinc/60/62/69/346606269.db2.gz WKIOKILAJLIDQX-UHFFFAOYSA-N 0 0 278.720 3.122 10 30 CGEERN N#Cc1ccc(Oc2c[nH]nc2-c2cccc(CO)c2)cc1 ZINC000584598985 346689060 /nfs/dbraw/zinc/68/90/60/346689060.db2.gz FJQGKPRONNFICX-UHFFFAOYSA-N 0 0 291.310 3.233 10 30 CGEERN C=C(C(=O)OC)[C@@H](F)c1ccc(Br)cc1 ZINC000584606794 346691333 /nfs/dbraw/zinc/69/13/33/346691333.db2.gz TXHYPEAOWHKSOR-SNVBAGLBSA-N 0 0 273.101 3.189 10 30 CGEERN N#Cc1cc2cc(C(N)=O)[nH]c2c(-c2ccc(F)c(F)c2)c1 ZINC000584618849 346695214 /nfs/dbraw/zinc/69/52/14/346695214.db2.gz SZZLFDTUMLFAEP-UHFFFAOYSA-N 0 0 297.264 3.084 10 30 CGEERN Cc1[nH]c2ccc(OC(F)(F)F)cc2c1/C=N/O ZINC000584625961 346697162 /nfs/dbraw/zinc/69/71/62/346697162.db2.gz SKBYBCHMRHIRFI-PJQLUOCWSA-N 0 0 258.199 3.183 10 30 CGEERN N#C[C@@H](c1cccnc1)[C@@H](CCO)c1cccc(F)c1F ZINC000584633648 346699857 /nfs/dbraw/zinc/69/98/57/346699857.db2.gz XQXNVQPJSXWUSP-JSGCOSHPSA-N 0 0 288.297 3.133 10 30 CGEERN CC(C)c1nc(CN[C@@H]2CCCC[C@H]2C#N)cs1 ZINC000595691995 347338965 /nfs/dbraw/zinc/33/89/65/347338965.db2.gz KYAOUAGHAVLQRN-WCQYABFASA-N 0 0 263.410 3.438 10 30 CGEERN N#C[C@H]1CCCC[C@H]1NCc1ccncc1Br ZINC000599466044 347746848 /nfs/dbraw/zinc/74/68/48/347746848.db2.gz YOQOJRCKJTZXNK-ZWNOBZJWSA-N 0 0 294.196 3.016 10 30 CGEERN N#Cc1ccc(NCCc2nc3cc(F)ccc3[nH]2)cc1 ZINC000128677161 187383474 /nfs/dbraw/zinc/38/34/74/187383474.db2.gz LIHQKMPWNCRWHH-UHFFFAOYSA-N 0 0 280.306 3.228 10 30 CGEERN CC(=O)N1C[C@@H](c2cccc(C#N)c2)Cc2ccccc21 ZINC000616673167 348862372 /nfs/dbraw/zinc/86/23/72/348862372.db2.gz WSJNTFDATLUSGP-KRWDZBQOSA-N 0 0 276.339 3.251 10 30 CGEERN CCC(CC)[C@H](C)NC(=O)Cc1ccc(C#N)cc1 ZINC000104433261 186000094 /nfs/dbraw/zinc/00/00/94/186000094.db2.gz FXDXTBYASFSASW-LBPRGKRZSA-N 0 0 258.365 3.042 10 30 CGEERN COc1ccc2cc(OC)c(CCC#N)cc2c1OC ZINC000091364385 180142597 /nfs/dbraw/zinc/14/25/97/180142597.db2.gz AHTIKSAMAQAGQV-UHFFFAOYSA-N 0 0 271.316 3.322 10 30 CGEERN Cc1nn(C)c(N[C@@H](C)c2ccc(Cl)s2)c1C#N ZINC000111350103 186402866 /nfs/dbraw/zinc/40/28/66/186402866.db2.gz BORVJDVURZMZBK-QMMMGPOBSA-N 0 0 280.784 3.488 10 30 CGEERN Cc1ccc(C#N)cc1NC(=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000117634845 138366503 /nfs/dbraw/zinc/36/65/03/138366503.db2.gz OTZCSSMRCWLGFP-SJKOYZFVSA-N 0 0 292.338 3.370 10 30 CGEERN CC[S@](=O)[C@H]1CCC[C@H](Nc2ccc(C#N)cc2)C1 ZINC000301519256 201043873 /nfs/dbraw/zinc/04/38/73/201043873.db2.gz CTDNKZSBSRFFCV-DOXZYTNZSA-N 0 0 276.405 3.050 10 30 CGEERN N#Cc1nc(Sc2ccccc2F)ccc1[N+](=O)[O-] ZINC000302745410 201536773 /nfs/dbraw/zinc/53/67/73/201536773.db2.gz SOJROUBLWLHUTO-UHFFFAOYSA-N 0 0 275.264 3.152 10 30 CGEERN Cc1cc(O)ccc1[C@H](C#N)Cc1ccc(O)cc1 ZINC000013470330 368654081 /nfs/dbraw/zinc/65/40/81/368654081.db2.gz DLFGHUQKLJBNNO-ZDUSSCGKSA-N 0 0 253.301 3.256 10 30 CGEERN COc1cccc(/C=C/C(=O)Nc2ccc(C#N)cc2)c1 ZINC000015540684 368697307 /nfs/dbraw/zinc/69/73/07/368697307.db2.gz OHKPXAMHTZNGPN-JXMROGBWSA-N 0 0 278.311 3.219 10 30 CGEERN Cn1cc(C(=O)Nc2ccc(C#N)cc2)c2ccccc21 ZINC000015601800 368698626 /nfs/dbraw/zinc/69/86/26/368698626.db2.gz SCIYKOJMYOGQHQ-UHFFFAOYSA-N 0 0 275.311 3.302 10 30 CGEERN O=C(c1c[nH]c2ccccc21)[C@H]1O[C@@H]1c1ccccc1 ZINC000015016983 368688007 /nfs/dbraw/zinc/68/80/07/368688007.db2.gz AFOMLHLQSZZDNB-IAGOWNOFSA-N 0 0 263.296 3.491 10 30 CGEERN CCCCOc1ccc(C[C@@H](C)N(O)C(C)=O)cc1 ZINC000029568211 368896827 /nfs/dbraw/zinc/89/68/27/368896827.db2.gz RZAPIGSSPDVCID-GFCCVEGCSA-N 0 0 265.353 3.034 10 30 CGEERN COc1cccc(CN=Nc2ccccc2[N+](=O)[O-])c1 ZINC000034930420 368980160 /nfs/dbraw/zinc/98/01/60/368980160.db2.gz YYTIAHRXACQYMG-GDNBJRDFSA-N 0 0 271.276 3.049 10 30 CGEERN N#Cc1nc2c(nc1C#N)-c1cccc3cccc-2c13 ZINC000032265830 368929233 /nfs/dbraw/zinc/92/92/33/368929233.db2.gz YAFHDWVQFZPDNN-UHFFFAOYSA-N 0 0 254.252 3.021 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000061889092 369609392 /nfs/dbraw/zinc/60/93/92/369609392.db2.gz YHAYRZPANAJGSS-PWSUYJOCSA-N 0 0 282.265 3.127 10 30 CGEERN CC(C)Oc1ccc(CN[C@H]2CCC[C@H]2C#N)cc1 ZINC000061892089 369610607 /nfs/dbraw/zinc/61/06/07/369610607.db2.gz CJDVZELHVMLSMC-HOCLYGCPSA-N 0 0 258.365 3.256 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NCc1ccccc1OC(F)F ZINC000061891501 369611187 /nfs/dbraw/zinc/61/11/87/369611187.db2.gz KITOIIOLDQAVIL-PWSUYJOCSA-N 0 0 266.291 3.070 10 30 CGEERN N#Cc1ccc(Cl)cc1NC(=O)CCc1ccco1 ZINC000070268679 369794486 /nfs/dbraw/zinc/79/44/86/369794486.db2.gz RRLXQJIQPHQWPT-UHFFFAOYSA-N 0 0 274.707 3.376 10 30 CGEERN C=C1[C@H](OC(C)=O)CC[C@]2(C)CC[C@H](C(C)(C)O)C[C@H]12 ZINC000077257312 369946714 /nfs/dbraw/zinc/94/67/14/369946714.db2.gz ZWIVVTOKXTZAOT-HWMZRRJGSA-N 0 0 280.408 3.462 10 30 CGEERN N#Cc1c(Br)csc1Br ZINC000095929524 370201020 /nfs/dbraw/zinc/20/10/20/370201020.db2.gz MEGGHYWNWKHTDW-UHFFFAOYSA-N 0 0 266.945 3.145 10 30 CGEERN O=C1C=Cc2ccccc2C1=NNc1ccccc1F ZINC000100209963 370274181 /nfs/dbraw/zinc/27/41/81/370274181.db2.gz JAOWVQLKJVIAAR-KNTRCKAVSA-N 0 0 266.275 3.238 10 30 CGEERN F[C@@H]1O[C@]1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000100483877 370279485 /nfs/dbraw/zinc/27/94/85/370279485.db2.gz PVWZPUCUQYDJMI-NCGGTJAESA-N 0 0 298.051 3.446 10 30 CGEERN C=C(Br)CN1CCC[C@H]1c1c(C)nn(C)c1C ZINC000105922086 370350610 /nfs/dbraw/zinc/35/06/10/370350610.db2.gz RSTHYLBTRRKXLF-LBPRGKRZSA-N 0 0 298.228 3.082 10 30 CGEERN Cn1cc([C@H]2CCCN2c2ccc(C#N)c(Cl)c2)cn1 ZINC000110537874 370386441 /nfs/dbraw/zinc/38/64/41/370386441.db2.gz SNUPJGRFDUWBSB-OAHLLOKOSA-N 0 0 286.766 3.287 10 30 CGEERN C=CC[C@H](C)NC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000116938685 370574742 /nfs/dbraw/zinc/57/47/42/370574742.db2.gz FSSHZMCFNBMLET-DCAQKATOSA-N 0 0 278.318 3.371 10 30 CGEERN Cc1cnc([C@@H](C)Nc2nc(C)c(C#N)cc2Cl)o1 ZINC000336817013 213691730 /nfs/dbraw/zinc/69/17/30/213691730.db2.gz ODRLTTKBUHBGFL-SECBINFHSA-N 0 0 276.727 3.385 10 30 CGEERN Cc1ccccc1[C@H](C)Nc1nccc(C#N)c1[N+](=O)[O-] ZINC000167489041 372596274 /nfs/dbraw/zinc/59/62/74/372596274.db2.gz VTWZSBBNJGIBJT-NSHDSACASA-N 0 0 282.303 3.343 10 30 CGEERN CCc1ccc(NC(=S)N/N=C(\C)c2ccccn2)cc1 ZINC000169318110 372630012 /nfs/dbraw/zinc/63/00/12/372630012.db2.gz HTPWYRMGPUTIGJ-XDHOZWIPSA-N 0 0 298.415 3.355 10 30 CGEERN C[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C#N)n2)C[C@H]1C ZINC000300172688 373619644 /nfs/dbraw/zinc/61/96/44/373619644.db2.gz JBDNERJWZRAXQA-MXWKQRLJSA-N 0 0 274.324 3.098 10 30 CGEERN COc1ccccc1CCN(C)c1ccc(C#N)cc1F ZINC000301167649 373680528 /nfs/dbraw/zinc/68/05/28/373680528.db2.gz DEKZUFSJTTWACS-UHFFFAOYSA-N 0 0 284.334 3.385 10 30 CGEERN C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1ccc(F)cc1C#N ZINC000177596357 373693305 /nfs/dbraw/zinc/69/33/05/373693305.db2.gz NFPCTAIXDBJFBY-QFYYESIMSA-N 0 0 296.301 3.201 10 30 CGEERN N#Cc1nc(Oc2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000302739591 373947152 /nfs/dbraw/zinc/94/71/52/373947152.db2.gz QODSHLGUUKIBES-UHFFFAOYSA-N 0 0 275.651 3.307 10 30 CGEERN C[C@]1(C=O)CC[C@@H](c2sccc2Br)O1 ZINC000307267271 374145693 /nfs/dbraw/zinc/14/56/93/374145693.db2.gz IDUFGFZIQOGRBZ-WCBMZHEXSA-N 0 0 275.167 3.320 10 30 CGEERN C=C(Br)CNc1ncc(Br)s1 ZINC000307267494 374145845 /nfs/dbraw/zinc/14/58/45/374145845.db2.gz FHCGVYWAYGBSLJ-UHFFFAOYSA-N 0 0 298.003 3.226 10 30 CGEERN C=CCCC[C@@H](C)NC(=O)[C@H](NC(=O)CC(C)C)C(C)C ZINC000182595028 374295732 /nfs/dbraw/zinc/29/57/32/374295732.db2.gz QFIBYODDUOFDNR-GDBMZVCRSA-N 0 0 296.455 3.034 10 30 CGEERN CCn1nccc1[C@@H]1OCC[C@H]1C(=O)Nc1ccsc1 ZINC000328625035 374370990 /nfs/dbraw/zinc/37/09/90/374370990.db2.gz KHHUMLFJMISICP-DGCLKSJQSA-N 0 0 291.376 3.330 10 30 CGEERN C[C@H](CNC(=O)C[C@@H]1CCCCC(=O)N1)c1nccs1 ZINC000328649252 374373687 /nfs/dbraw/zinc/37/36/87/374373687.db2.gz IRFXXXYQDIUFES-MNOVXSKESA-N 0 0 295.408 3.492 10 30 CGEERN C[C@@H]1CN(C(=O)N[C@H]2CCC(=O)NC23CCC3)C(C)(C)C1 ZINC000328737501 374378322 /nfs/dbraw/zinc/37/83/22/374378322.db2.gz HBKSMTKKMIFRHT-RYUDHWBXSA-N 0 0 293.411 3.062 10 30 CGEERN C#C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000185983360 374780174 /nfs/dbraw/zinc/78/01/74/374780174.db2.gz HHDJJNKPJJLJDE-VBNZEHGJSA-N 0 0 255.361 3.051 10 30 CGEERN N#Cc1cc2c(Br)cc(Cl)cn2c1 ZINC000261506801 190039888 /nfs/dbraw/zinc/03/98/88/190039888.db2.gz BAKXEUSGDKRRIM-UHFFFAOYSA-N 0 0 255.502 3.227 10 30 CGEERN C[C@H]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000235584094 376646551 /nfs/dbraw/zinc/64/65/51/376646551.db2.gz OXJPSLPFNBCRDN-QWRGUYRKSA-N 0 0 274.324 3.100 10 30 CGEERN C[C@H]1CC(Nc2ccc([N+](=O)[O-])c(C#N)n2)C[C@H](C)C1 ZINC000235626312 376646896 /nfs/dbraw/zinc/64/68/96/376646896.db2.gz PLLOKTHXXNOOKI-NXEZZACHSA-N 0 0 274.324 3.098 10 30 CGEERN C=CCC(CC=C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000247990739 377253472 /nfs/dbraw/zinc/25/34/72/377253472.db2.gz JAJRBDXDEUWBFQ-ZWKOTPCHSA-N 0 0 298.430 3.316 10 30 CGEERN CCOC(=O)c1ccc(F)c(C#N)c1SC(F)(F)F ZINC000575390721 377900235 /nfs/dbraw/zinc/90/02/35/377900235.db2.gz UMJUBQYBVGNLKA-UHFFFAOYSA-N 0 0 293.241 3.486 10 30 CGEERN CCOC(=O)c1cc(SC(F)(F)F)cc(F)c1C#N ZINC000575390750 377900280 /nfs/dbraw/zinc/90/02/80/377900280.db2.gz XQTZOWCHSUPFFP-UHFFFAOYSA-N 0 0 293.241 3.486 10 30 CGEERN CCOC(=O)c1cc(CC)c(C#N)c(OC(F)(F)F)c1 ZINC000575388738 377895952 /nfs/dbraw/zinc/89/59/52/377895952.db2.gz BFPSIQVUSNGBFI-UHFFFAOYSA-N 0 0 287.237 3.196 10 30 CGEERN CCOC(=O)c1ccc(C#N)c(CC)c1OC(F)(F)F ZINC000575388741 377895957 /nfs/dbraw/zinc/89/59/57/377895957.db2.gz BJIUJKDXNHEBNE-UHFFFAOYSA-N 0 0 287.237 3.196 10 30 CGEERN CCOC(=O)c1c(C#N)ccc(C(F)(F)F)c1CC ZINC000575389199 377896427 /nfs/dbraw/zinc/89/64/27/377896427.db2.gz BZFHJWLWNPLYGT-UHFFFAOYSA-N 0 0 271.238 3.316 10 30 CGEERN N#CCc1cc(C(F)(F)F)cc(C#N)c1OC(F)F ZINC000575639118 377924442 /nfs/dbraw/zinc/92/44/42/377924442.db2.gz OQUIZMOTSUQRRV-UHFFFAOYSA-N 0 0 276.164 3.245 10 30 CGEERN N#CCc1cc(C#N)cc(OC(F)F)c1C(F)(F)F ZINC000575640093 377925029 /nfs/dbraw/zinc/92/50/29/377925029.db2.gz UTUGJVXXAJDPSR-UHFFFAOYSA-N 0 0 276.164 3.245 10 30 CGEERN N#CCc1ccc(OC(F)F)c(C(F)F)c1[N+](=O)[O-] ZINC000575652828 377930673 /nfs/dbraw/zinc/93/06/73/377930673.db2.gz LROGJZGLIHZAIO-UHFFFAOYSA-N 0 0 278.161 3.200 10 30 CGEERN N#CCc1c(F)cc(Br)cc1OC(F)F ZINC000575680983 377956143 /nfs/dbraw/zinc/95/61/43/377956143.db2.gz WQMPVWJXKWFGTJ-UHFFFAOYSA-N 0 0 280.043 3.256 10 30 CGEERN N#Cc1cc(OC(F)F)c(C(F)(F)F)cc1F ZINC000575660733 377937307 /nfs/dbraw/zinc/93/73/07/377937307.db2.gz VDBWDNHJYZHWOG-UHFFFAOYSA-N 0 0 255.117 3.318 10 30 CGEERN N#Cc1cc(C(F)(F)F)cc(OC(F)F)c1F ZINC000575660514 377937444 /nfs/dbraw/zinc/93/74/44/377937444.db2.gz QYRQUEKXBVQAMT-UHFFFAOYSA-N 0 0 255.117 3.318 10 30 CGEERN N#Cc1c(OC(F)F)cc([N+](=O)[O-])cc1C(F)(F)F ZINC000575666195 377942969 /nfs/dbraw/zinc/94/29/69/377942969.db2.gz JAEUXMRAYOBTTG-UHFFFAOYSA-N 0 0 282.124 3.087 10 30 CGEERN Cc1c(C#N)c(C(F)(F)F)ccc1OC(F)F ZINC000575666611 377944332 /nfs/dbraw/zinc/94/43/32/377944332.db2.gz WBSCDXPRIRAHSO-UHFFFAOYSA-N 0 0 251.154 3.487 10 30 CGEERN N#CCc1cc([N+](=O)[O-])c(Cl)cc1Br ZINC000575678665 377952492 /nfs/dbraw/zinc/95/24/92/377952492.db2.gz SEUJUDVETHSPTJ-UHFFFAOYSA-N 0 0 275.489 3.077 10 30 CGEERN COC(=O)Cc1ccc(SC(F)(F)F)c(C#N)c1C ZINC000575395913 377903714 /nfs/dbraw/zinc/90/37/14/377903714.db2.gz WCWKKZXOPRXOJQ-UHFFFAOYSA-N 0 0 289.278 3.194 10 30 CGEERN C[C@@H]1CC[C@H](C)[C@](C#N)(NC(=O)OC(C)(C)C)C1 ZINC000575496631 377915230 /nfs/dbraw/zinc/91/52/30/377915230.db2.gz NFRRFLVCZSYNNI-SUNKGSAMSA-N 0 0 252.358 3.230 10 30 CGEERN N#CCc1cc(O)c(C(F)F)cc1Br ZINC000575683627 377958093 /nfs/dbraw/zinc/95/80/93/377958093.db2.gz CFOIWNIRNDJSPT-UHFFFAOYSA-N 0 0 262.053 3.158 10 30 CGEERN N#CCc1cc(O)c(Br)cc1OC(F)(F)F ZINC000575689930 377965022 /nfs/dbraw/zinc/96/50/22/377965022.db2.gz MSVGHVBFTWZVIW-UHFFFAOYSA-N 0 0 296.042 3.119 10 30 CGEERN CCOc1cc(OC)c(CC#N)cc1C(F)(F)F ZINC000575698379 377971496 /nfs/dbraw/zinc/97/14/96/377971496.db2.gz NERDTNRLQYTXHA-UHFFFAOYSA-N 0 0 259.227 3.179 10 30 CGEERN CCc1cc(OC(F)(F)F)cc(CC#N)c1OC ZINC000575704702 377978509 /nfs/dbraw/zinc/97/85/09/377978509.db2.gz YTJXQWMJFHQRKO-UHFFFAOYSA-N 0 0 259.227 3.222 10 30 CGEERN N#Cc1cc(Br)ccc1CN1C[C@@H]2CCC[C@@H]21 ZINC000346965143 378700206 /nfs/dbraw/zinc/70/02/06/378700206.db2.gz ICLQHKDFNCMVCL-FZMZJTMJSA-N 0 0 291.192 3.305 10 30 CGEERN Cn1cc([C@H]2CCCN2c2cc(Cl)ccc2C#N)cn1 ZINC000266342938 190250628 /nfs/dbraw/zinc/25/06/28/190250628.db2.gz IMSZJRQOXRWJPQ-CQSZACIVSA-N 0 0 286.766 3.287 10 30 CGEERN Cc1csc([C@H]2CCCN(c3ccnc(C#N)c3)C2)n1 ZINC000408103244 379992429 /nfs/dbraw/zinc/99/24/29/379992429.db2.gz GMFONZCVQULQJR-LBPRGKRZSA-N 0 0 284.388 3.102 10 30 CGEERN C[C@@H]1C[C@@H]1NC(=O)c1ccc2c(c1)NC(=O)C2(C)C ZINC000328796834 542445288 /nfs/dbraw/zinc/44/52/88/542445288.db2.gz DMDHZXOIEDUMPC-KCJUWKMLSA-N 0 0 258.321 3.279 10 30 CGEERN O=C(N[C@@H]1CCCC[C@@H]1O)N[C@@H]1CCCCC12CCCC2 ZINC000329638920 542447662 /nfs/dbraw/zinc/44/76/62/542447662.db2.gz AYCYZSONWGBFRW-QLFBSQMISA-N 0 0 294.439 3.297 10 30 CGEERN CC1CCC(N(C(=O)N[C@H]2CCC[C@@H]2C#N)C2CC2)CC1 ZINC000332913401 542451546 /nfs/dbraw/zinc/45/15/46/542451546.db2.gz RVERWXZAAUNSHN-MFQJDOPTSA-N 0 0 289.423 3.431 10 30 CGEERN CCc1ccc(NC(=O)[C@@H]2CCCO[C@H]2CC)c(C#N)c1 ZINC000521394045 256855149 /nfs/dbraw/zinc/85/51/49/256855149.db2.gz SKNUKRCXNCJSMC-ZBFHGGJFSA-N 0 0 286.375 3.264 10 30 CGEERN N#Cc1ccc2ccccc2c1I ZINC000082164516 392222844 /nfs/dbraw/zinc/22/28/44/392222844.db2.gz ZZUXSFPDEOPEDQ-UHFFFAOYSA-N 0 0 279.080 3.316 10 30 CGEERN C=CCN(CC=C)C(=O)NC1CCC(CC)CC1 ZINC000123532405 392430041 /nfs/dbraw/zinc/43/00/41/392430041.db2.gz CQMNDXLNRSALPJ-UHFFFAOYSA-N 0 0 250.386 3.339 10 30 CGEERN CCCOc1ccc([C@@H](C)NCC#N)cc1OCCC ZINC000120128000 392398720 /nfs/dbraw/zinc/39/87/20/392398720.db2.gz XMMNZTWBSHJYRM-CYBMUJFWSA-N 0 0 276.380 3.438 10 30 CGEERN C=CCN(CC1CCCCC1)C(=O)[C@H]1CC[C@H](C)O1 ZINC000154448104 392535701 /nfs/dbraw/zinc/53/57/01/392535701.db2.gz QQBJHLNMJSEIMU-DZGCQCFKSA-N 0 0 265.397 3.149 10 30 CGEERN CCN(Cc1nnc(C)n1CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000195084738 392956405 /nfs/dbraw/zinc/95/64/05/392956405.db2.gz IMRMBDZECPUSCZ-ZDUSSCGKSA-N 0 0 297.406 3.061 10 30 CGEERN OCC#Cc1cnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000196171085 392975156 /nfs/dbraw/zinc/97/51/56/392975156.db2.gz VBBSSSNTZPKUNX-UHFFFAOYSA-N 0 0 286.334 3.154 10 30 CGEERN CC(C)N(c1ncc(Br)cc1C#N)C(C)C ZINC000211560604 392985550 /nfs/dbraw/zinc/98/55/50/392985550.db2.gz XZDNXYIOAMTPCI-UHFFFAOYSA-N 0 0 282.185 3.339 10 30 CGEERN Cc1ccc2c(c1)c(C#CCO)cn2C(=O)OC(C)(C)C ZINC000669382997 543103994 /nfs/dbraw/zinc/10/39/94/543103994.db2.gz QUHPAKPTGSUKER-UHFFFAOYSA-N 0 0 285.343 3.077 10 30 CGEERN CCS[C@H]1CC[C@H](Nc2nnc(C)c(C)c2C#N)C1 ZINC000078587528 165136471 /nfs/dbraw/zinc/13/64/71/165136471.db2.gz CVKYRKSUCZBNFS-RYUDHWBXSA-N 0 0 276.409 3.051 10 30 CGEERN N#Cc1ccc(N[C@H]2COc3ccccc32)cc1[N+](=O)[O-] ZINC000094591990 165352436 /nfs/dbraw/zinc/35/24/36/165352436.db2.gz WSZIORBDJHCDCE-ZDUSSCGKSA-N 0 0 281.271 3.012 10 30 CGEERN C[C@@H]1C(=O)CC[C@@H](C(=O)N[C@@H]2CCCCC[C@H]2O)C1(C)C ZINC000329339852 287164135 /nfs/dbraw/zinc/16/41/35/287164135.db2.gz RGNJHAVFXKMVTP-QVHKTLOISA-N 0 0 295.423 3.278 10 30 CGEERN COc1cc(C=NNc2ccccc2C)cc(OC)c1 ZINC000007892049 170306277 /nfs/dbraw/zinc/30/62/77/170306277.db2.gz SWYFSROKLNXOAQ-GZTJUZNOSA-N 0 0 270.332 3.458 10 30 CGEERN C=C(C)Cn1c(SC(C)C)nc2ccccc2c1=O ZINC000013816264 170597558 /nfs/dbraw/zinc/59/75/58/170597558.db2.gz NADFDSDIINSWAZ-UHFFFAOYSA-N 0 0 274.389 3.473 10 30 CGEERN CCOC(=O)Nc1ccc(N=Cc2ccccc2)cn1 ZINC000018045834 170741124 /nfs/dbraw/zinc/74/11/24/170741124.db2.gz FYTVWPSITZRJFU-MHWRWJLKSA-N 0 0 269.304 3.401 10 30 CGEERN C[C@H]1CCCC[C@H]1OCCC(=O)Nc1ccc(C#N)cc1 ZINC000019847369 170896789 /nfs/dbraw/zinc/89/67/89/170896789.db2.gz FMFIQQNPTMVNGQ-XJKSGUPXSA-N 0 0 286.375 3.482 10 30 CGEERN N/C(=N\O)c1ccc(CSc2ccccc2F)cc1 ZINC000019847760 170897031 /nfs/dbraw/zinc/89/70/31/170897031.db2.gz IJRLEVJFNMZODL-UHFFFAOYSA-N 0 0 276.336 3.213 10 30 CGEERN CCN(c1ccccc1C)c1ccccc1/C(N)=N/O ZINC000020075882 170984286 /nfs/dbraw/zinc/98/42/86/170984286.db2.gz RXSODOHJCXWXKD-UHFFFAOYSA-N 0 0 269.348 3.248 10 30 CGEERN CSc1cc(-c2ccc(F)cc2)oc(=O)c1C#N ZINC000026938961 171503150 /nfs/dbraw/zinc/50/31/50/171503150.db2.gz ZKLQTJIJAOFUAZ-UHFFFAOYSA-N 0 0 261.277 3.039 10 30 CGEERN Cc1ccc2c(c1)C(=O)C(=O)C1=C2OC(C)(C)CC1 ZINC000028097444 171547463 /nfs/dbraw/zinc/54/74/63/171547463.db2.gz PEZOLUMHKRCZBN-UHFFFAOYSA-N 0 0 256.301 3.061 10 30 CGEERN Cc1cc(Br)ccc1NC[C@H](C)C#N ZINC000032107779 171699687 /nfs/dbraw/zinc/69/96/87/171699687.db2.gz FCJMBFPYPVWDDP-MRVPVSSYSA-N 0 0 253.143 3.329 10 30 CGEERN C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC000034400529 171838599 /nfs/dbraw/zinc/83/85/99/171838599.db2.gz HCCCYDLUFISNCU-NSHDSACASA-N 0 0 285.384 3.188 10 30 CGEERN CCOc1ccc(/N=C2/c3ccccc3N(C)C2=O)cc1 ZINC000035076965 171965852 /nfs/dbraw/zinc/96/58/52/171965852.db2.gz LHPGOJQGSOGADL-VLGSPTGOSA-N 0 0 280.327 3.183 10 30 CGEERN N#Cc1cccc(NC(=O)c2c[nH]c3ccccc23)c1 ZINC000035134652 172001673 /nfs/dbraw/zinc/00/16/73/172001673.db2.gz SXMVIERZOUOKHL-UHFFFAOYSA-N 0 0 261.284 3.292 10 30 CGEERN COc1ccc(NC2=N[C@H](C)CS2)cc1Cl ZINC000035294419 172106144 /nfs/dbraw/zinc/10/61/44/172106144.db2.gz KXWDBPWUHQFNSZ-SSDOTTSWSA-N 0 0 256.758 3.061 10 30 CGEERN C[C@H]1CN=C(Nc2ccccc2OC(F)F)S1 ZINC000035295261 172107009 /nfs/dbraw/zinc/10/70/09/172107009.db2.gz DCMCTIIZMYASGG-ZETCQYMHSA-N 0 0 258.293 3.000 10 30 CGEERN Cc1n[nH]c(=S)n1N=Cc1ccc(Cl)c(Cl)c1 ZINC000035418105 172190271 /nfs/dbraw/zinc/19/02/71/172190271.db2.gz OVURKEMTLPDVCB-ACAGNQJTSA-N 0 0 287.175 3.438 10 30 CGEERN CC(C)[C@H]1CC[C@@H](C)C[C@]1(C#N)NCC(F)(F)F ZINC000037970945 173921665 /nfs/dbraw/zinc/92/16/65/173921665.db2.gz LKGDPJAAVYGEJL-IJLUTSLNSA-N 0 0 262.319 3.493 10 30 CGEERN CCCN[C@@H](C#N)c1ccc(OC)c(Br)c1 ZINC000038052194 174063381 /nfs/dbraw/zinc/06/33/81/174063381.db2.gz XIPZIYOYBKPVGL-NSHDSACASA-N 0 0 283.169 3.022 10 30 CGEERN Cc1ccc(C(C)C)cc1Oc1ccc(/C(N)=N/O)cn1 ZINC000038053046 174064789 /nfs/dbraw/zinc/06/47/89/174064789.db2.gz XWHHTNNYFQCTJQ-UHFFFAOYSA-N 0 0 285.347 3.400 10 30 CGEERN Cc1cc([C@H](C#N)N2CCCCCC2)cc(C)c1O ZINC000038086288 174097434 /nfs/dbraw/zinc/09/74/34/174097434.db2.gz KIARZUDBJYHBPM-HNNXBMFYSA-N 0 0 258.365 3.450 10 30 CGEERN C=C(C)C(=O)NCc1nc2ccccc2n1CCCC ZINC000040194168 174203051 /nfs/dbraw/zinc/20/30/51/174203051.db2.gz GXPDGBGVYCQMFZ-UHFFFAOYSA-N 0 0 271.364 3.029 10 30 CGEERN CC[C@H](C#N)N(C)Cc1ccccc1Br ZINC000043556489 175064849 /nfs/dbraw/zinc/06/48/49/175064849.db2.gz SDNFSSMHZDQUOT-LLVKDONJSA-N 0 0 267.170 3.183 10 30 CGEERN CC1(C)CCC(CC(=O)N[C@@H]2CCC[C@@H]2C#N)CC1 ZINC000407962460 260084428 /nfs/dbraw/zinc/08/44/28/260084428.db2.gz BETNHRGRGNYVPX-ZIAGYGMSSA-N 0 0 262.397 3.401 10 30 CGEERN O=C(Nc1cnc(-c2ccccc2)nc1)N1C[C@H]2CCC[C@H]21 ZINC000329466285 227534346 /nfs/dbraw/zinc/53/43/46/227534346.db2.gz VNXCKBNKOAOQPE-UKRRQHHQSA-N 0 0 294.358 3.173 10 30 CGEERN CCn1nc(C)c(NC(=O)C[C@@H]2CCCCNC2=O)c1C ZINC000329855590 227967822 /nfs/dbraw/zinc/96/78/22/227967822.db2.gz XMMRUKRKTOZRMW-LBPRGKRZSA-N 0 0 292.383 3.255 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1cccc2c1CCC2 ZINC000330033430 228022409 /nfs/dbraw/zinc/02/24/09/228022409.db2.gz AFHPXDOZSLKTIW-WFASDCNBSA-N 0 0 254.333 3.172 10 30 CGEERN O=C(Nc1ccccc1-n1cccn1)N1CC[C@H]2CCC[C@H]21 ZINC000330266324 228085738 /nfs/dbraw/zinc/08/57/38/228085738.db2.gz HNOWNNZWAOSNHD-UKRRQHHQSA-N 0 0 296.374 3.292 10 30 CGEERN C=C[C@H](O)C#CC#CC[C@@H]1O[C@H]1CCCCCCC ZINC000070450896 260028514 /nfs/dbraw/zinc/02/85/14/260028514.db2.gz GVLDSGIQZAFIAN-ULQDDVLXSA-N 0 0 260.377 3.058 10 30 endogenous,in-man CGEERN CC1(C)CCCC[C@@H]1CC(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000407970014 260131387 /nfs/dbraw/zinc/13/13/87/260131387.db2.gz YXNAPBPQKPLRJC-MGPQQGTHSA-N 0 0 262.397 3.401 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NCc1ccc2ccccc2n1 ZINC000086317695 260207537 /nfs/dbraw/zinc/20/75/37/260207537.db2.gz IJDNBFJMMGJUTE-HIFRSBDPSA-N 0 0 251.333 3.017 10 30 CGEERN C=C(Br)C[NH2+][C@H](C)[C@@H]1COc2ccccc21 ZINC000185603168 262306410 /nfs/dbraw/zinc/30/64/10/262306410.db2.gz DFBWWDPFVRLOSR-PWSUYJOCSA-N 0 0 282.181 3.049 10 30 CGEERN CC(C)(C)c1nc(CN[C@H]2CCC[C@H]2C#N)cs1 ZINC000164288955 263270999 /nfs/dbraw/zinc/27/09/99/263270999.db2.gz UPRNPNHRWJRSFL-JQWIXIFHSA-N 0 0 263.410 3.222 10 30 CGEERN C#CCCCCC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000120019756 263281219 /nfs/dbraw/zinc/28/12/19/263281219.db2.gz ZALRNIOUTKXRDR-CQSZACIVSA-N 0 0 297.320 3.470 10 30 CGEERN C=CCCS(=O)(=O)N1CCCC[C@@H]1c1ccc(C)o1 ZINC000120925836 263288039 /nfs/dbraw/zinc/28/80/39/263288039.db2.gz OVLITTMDPOJJSX-CYBMUJFWSA-N 0 0 283.393 3.021 10 30 CGEERN C[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)NC23CCC3)C(C)(C)C1 ZINC000328737500 263850744 /nfs/dbraw/zinc/85/07/44/263850744.db2.gz HBKSMTKKMIFRHT-NWDGAFQWSA-N 0 0 293.411 3.062 10 30 CGEERN Cc1c(C)n(-c2ccc(Br)cc2)c(N)c1C#N ZINC000034976272 280223526 /nfs/dbraw/zinc/22/35/26/280223526.db2.gz DEZHTLUMBMAQGI-UHFFFAOYSA-N 0 0 290.164 3.311 10 30 CGEERN CN(C)CC(=O)C=C1c2ccccc2CCc2ccccc21 ZINC000001482014 289072282 /nfs/dbraw/zinc/07/22/82/289072282.db2.gz DRNINDKQWDOFMO-UHFFFAOYSA-N 0 0 291.394 3.348 10 30 in-man CGEERN COc1ccccc1CN=Nc1nc(C)c(C(C)=O)s1 ZINC000013139083 326838196 /nfs/dbraw/zinc/83/81/96/326838196.db2.gz AHTMNVPUDHNVOV-NVNXTCNLSA-N 0 0 289.360 3.109 10 30 CGEERN CC(C)[C@H]1CC[C@H](C(=O)N[C@@H]2CCC[C@H]2C#N)CC1 ZINC000407979175 326891082 /nfs/dbraw/zinc/89/10/82/326891082.db2.gz RLPYJSLOPJLPRK-ZQDZILKHSA-N 0 0 262.397 3.257 10 30 CGEERN C#CCCCNC(=O)N1CCCC[C@H]1c1ccc(C)o1 ZINC000173512141 329148514 /nfs/dbraw/zinc/14/85/14/329148514.db2.gz QLGUGAUOHSMJSB-AWEZNQCLSA-N 0 0 274.364 3.238 10 30 CGEERN CCCCCCCC(=O)N1CC(=O)Nc2c(C)ccnc21 ZINC000181053716 329225429 /nfs/dbraw/zinc/22/54/29/329225429.db2.gz LHFCDMGAUTZZNS-UHFFFAOYSA-N 0 0 289.379 3.036 10 30 CGEERN CC(C)(C)c1csc([C@@H]2CN(CCCC#N)CCO2)n1 ZINC000195399179 329691674 /nfs/dbraw/zinc/69/16/74/329691674.db2.gz KPLULBCKKCJJML-LBPRGKRZSA-N 0 0 293.436 3.118 10 30 CGEERN C=C(Cl)CN1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000246688317 329869226 /nfs/dbraw/zinc/86/92/26/329869226.db2.gz ZKKHVCQOESBVDB-JQWIXIFHSA-N 0 0 257.786 3.262 10 30 CGEERN C[C@H](N[C@H]1CCC[C@H]1C#N)c1ccc(F)cc1F ZINC000251584417 329931590 /nfs/dbraw/zinc/93/15/90/329931590.db2.gz WQZQYVLKLZFARL-BHDSKKPTSA-N 0 0 250.292 3.308 10 30 CGEERN Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N[C@H](C)C#N ZINC000176130741 333039805 /nfs/dbraw/zinc/03/98/05/333039805.db2.gz RKYSQNQMPSTFPE-YPMHNXCESA-N 0 0 273.380 3.093 10 30 CGEERN C=CCCS(=O)(=O)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000178279042 333070460 /nfs/dbraw/zinc/07/04/60/333070460.db2.gz YCEIUOKMRPFRHX-CYBMUJFWSA-N 0 0 281.421 3.367 10 30 CGEERN C=CC[C@H](C(=O)N[C@@H](C)[C@@H]1CCCO1)c1ccccc1 ZINC000186602785 519110086 /nfs/dbraw/zinc/11/00/86/519110086.db2.gz YBVWKQDPOBRKAV-BPUTZDHNSA-N 0 0 273.376 3.030 10 30 CGEERN CC(C)Cc1ccc(-c2ccc(C#N)c(N)n2)cc1 ZINC000050871156 519431114 /nfs/dbraw/zinc/43/11/14/519431114.db2.gz ILFQWVCCMAGKLE-UHFFFAOYSA-N 0 0 251.333 3.401 10 30 CGEERN CC(C)CSCc1ccc(F)c(C#CCCO)c1 ZINC000049623146 519769885 /nfs/dbraw/zinc/76/98/85/519769885.db2.gz UKJFEESNOXSFSJ-UHFFFAOYSA-N 0 0 266.381 3.449 10 30 CGEERN CCOc1cccc(CN[C@H]2CCCC[C@@H]2C#N)c1 ZINC000054825526 521376766 /nfs/dbraw/zinc/37/67/66/521376766.db2.gz CMOKZTWOOOJZKA-ZBFHGGJFSA-N 0 0 258.365 3.257 10 30 CGEERN CCN(Cc1ccccc1C#N)c1ccccc1N ZINC000050454156 521377093 /nfs/dbraw/zinc/37/70/93/521377093.db2.gz FWRPPFBBIKJOSW-UHFFFAOYSA-N 0 0 251.333 3.167 10 30 CGEERN CO[C@@H]1CCC[C@@H]1Nc1cc(Cl)ccc1C#N ZINC000062785555 523636269 /nfs/dbraw/zinc/63/62/69/523636269.db2.gz PQMSCRPEKGUGRN-WCQYABFASA-N 0 0 250.729 3.191 10 30 CGEERN C[C@H]1CN(c2ccc(C#N)cc2Cl)CC(C)(C)O1 ZINC000062793825 524665362 /nfs/dbraw/zinc/66/53/62/524665362.db2.gz XIBOSPGZSPXAPS-JTQLQIEISA-N 0 0 264.756 3.215 10 30 CGEERN C[C@H](Nc1cc(Cl)ccc1C#N)[C@@H]1CCCO1 ZINC000062785283 525644054 /nfs/dbraw/zinc/64/40/54/525644054.db2.gz ZNZOWMUNKWPTSA-ZANVPECISA-N 0 0 250.729 3.191 10 30 CGEERN Cc1ccc([C@@H](C#N)C(=O)[C@H]2CCCCO2)cc1C ZINC000061682053 525676314 /nfs/dbraw/zinc/67/63/14/525676314.db2.gz DDEGZYUTCPQFEP-HUUCEWRRSA-N 0 0 257.333 3.049 10 30 CGEERN N#CCc1nc(-c2c(Cl)cccc2Cl)no1 ZINC000073641201 526487685 /nfs/dbraw/zinc/48/76/85/526487685.db2.gz GEJCLMITYMPCLG-UHFFFAOYSA-N 0 0 254.076 3.109 10 30 CGEERN N#C[C@@H](C(=O)[C@H]1CCCCO1)c1ccccc1Cl ZINC000050964017 526492975 /nfs/dbraw/zinc/49/29/75/526492975.db2.gz JJPCXSBBOLCFNR-DGCLKSJQSA-N 0 0 263.724 3.085 10 30 CGEERN CC(C)[C@H](Nc1ccc(C#N)nn1)c1ccc(F)cc1F ZINC000301967805 529127245 /nfs/dbraw/zinc/12/72/45/529127245.db2.gz OYCUPLHNGFYAFZ-HNNXBMFYSA-N 0 0 288.301 3.436 10 30 CGEERN CCn1c(C)nnc1CS[C@H](C)c1cccc(C#N)c1 ZINC000190821438 535977358 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/nfs/dbraw/zinc/19/19/37/346191937.db2.gz UWUYIFMYLXRENQ-UHFFFAOYSA-N 0 0 278.114 3.112 10 30 CGEERN Cc1ccnc(N2CCC[C@H](c3nccs3)C2)c1C#N ZINC000363669871 136523996 /nfs/dbraw/zinc/52/39/96/136523996.db2.gz ITMBUIAHCPEMIP-LBPRGKRZSA-N 0 0 284.388 3.102 10 30 CGEERN CC(C)NC(=O)N1CCC(C#N)(CCc2ccccc2)CC1 ZINC000219245966 346294359 /nfs/dbraw/zinc/29/43/59/346294359.db2.gz NGAQGRGZSZNKQG-UHFFFAOYSA-N 0 0 299.418 3.343 10 30 CGEERN C=CC[C@]1(COCc2ccccc2)CC[C@@H](OC)O1 ZINC000225940507 346305663 /nfs/dbraw/zinc/30/56/63/346305663.db2.gz DYGVOZROBINVGB-JKSUJKDBSA-N 0 0 262.349 3.301 10 30 CGEERN O=C1C=CO[C@@H](c2sccc2Br)C1 ZINC000228022630 346312599 /nfs/dbraw/zinc/31/25/99/346312599.db2.gz VVIKTBRMLSLQNH-MRVPVSSYSA-N 0 0 259.124 3.055 10 30 CGEERN C[C@H](S)c1ccc(I)cc1 ZINC000235566139 346336369 /nfs/dbraw/zinc/33/63/69/346336369.db2.gz YUMZENMEKWRILG-LURJTMIESA-N 0 0 264.131 3.282 10 30 CGEERN CC(=O)N(C)c1ccc(N=Cc2cccs2)cc1 ZINC000254819610 346395531 /nfs/dbraw/zinc/39/55/31/346395531.db2.gz RBSPNZPZLJMYNM-UHFFFAOYSA-N 0 0 258.346 3.481 10 30 CGEERN N#CC1([C@@H](O)c2cscc2Br)CCC1 ZINC000306824982 346458126 /nfs/dbraw/zinc/45/81/26/346458126.db2.gz WAHHXBKBFVOOHK-VIFPVBQESA-N 0 0 272.167 3.238 10 30 CGEERN CCCCC[C@H](O)C#CC#CCCCCCCC(=O)OC ZINC000584640504 346702891 /nfs/dbraw/zinc/70/28/91/346702891.db2.gz SGINDRPLHMANGS-KRWDZBQOSA-N 0 0 292.419 3.448 10 30 CGEERN CCN(CC)OC(=O)c1ccc(C(F)(F)F)cc1 ZINC000584646567 346703895 /nfs/dbraw/zinc/70/38/95/346703895.db2.gz PUJBWAXOYKUCLI-UHFFFAOYSA-N 0 0 261.243 3.119 10 30 CGEERN CC(C)(C)OC(=O)CC[C@H](O)CCCCCCC=O ZINC000584649824 346704506 /nfs/dbraw/zinc/70/45/06/346704506.db2.gz NVNYCSSQJOALLC-CYBMUJFWSA-N 0 0 272.385 3.009 10 30 CGEERN C[C@H](CC#N)[NH2+]CCCCCCCC[NH2+][C@@H](C)CC#N ZINC000584600254 346689205 /nfs/dbraw/zinc/68/92/05/346689205.db2.gz UEASPWPTZMVZLO-IYBDPMFKSA-N 0 0 278.444 3.111 10 30 CGEERN CC1=Nc2cc([N+](=O)[O-])ccc2O[C@@H]1CC(C)(C)C#N ZINC000584626364 346697092 /nfs/dbraw/zinc/69/70/92/346697092.db2.gz 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/nfs/dbraw/zinc/83/37/74/348833774.db2.gz PWNJKENKFJPVEB-UHFFFAOYSA-N 0 0 277.311 3.048 10 30 CGEERN CCOC(=O)N1CCC[C@@H](c2ccc(C#N)cc2)CC1 ZINC000616626809 348850687 /nfs/dbraw/zinc/85/06/87/348850687.db2.gz FDZKAVGHQDNOAT-CQSZACIVSA-N 0 0 272.348 3.284 10 30 CGEERN N#Cc1ccc([C@H]2CCc3ccccc3N2CCO)cc1 ZINC000616670444 348861080 /nfs/dbraw/zinc/86/10/80/348861080.db2.gz XZILHPNKDIBEGL-GOSISDBHSA-N 0 0 278.355 3.044 10 30 CGEERN CC(=O)N1C[C@H](c2ccc(C#N)cc2)Nc2ccccc21 ZINC000616685646 348867126 /nfs/dbraw/zinc/86/71/26/348867126.db2.gz RDKNPIPZRNISBH-MRXNPFEDSA-N 0 0 277.327 3.078 10 30 CGEERN CCN(c1c(C#N)c(C)nn1C)c1ccccc1C ZINC000104314963 185965249 /nfs/dbraw/zinc/96/52/49/185965249.db2.gz FRWJBGLYNAKSFW-UHFFFAOYSA-N 0 0 254.337 3.067 10 30 CGEERN C[C@H]1C[C@@H](C(=O)Nc2ccc(C#N)cn2)CC(C)(C)C1 ZINC000180173136 291046899 /nfs/dbraw/zinc/04/68/99/291046899.db2.gz GSBNLDVAJGOXHF-WCQYABFASA-N 0 0 271.364 3.354 10 30 CGEERN N#Cc1ccc(/N=C/c2ccc([N+](=O)[O-])s2)cc1 ZINC000000288364 283122019 /nfs/dbraw/zinc/12/20/19/283122019.db2.gz DIJOJFFSFOEMRO-RIYZIHGNSA-N 0 0 257.274 3.279 10 30 CGEERN COc1cc(C#N)ccc1CN1CCC[C@H]1c1ccco1 ZINC000120986538 138367301 /nfs/dbraw/zinc/36/73/01/138367301.db2.gz LXOWZDZCZJDUSW-HNNXBMFYSA-N 0 0 282.343 3.497 10 30 CGEERN C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C#N)C[C@@H](C)C1 ZINC000301766846 201184623 /nfs/dbraw/zinc/18/46/23/201184623.db2.gz HQDCVMUUXVNDTC-NEPJUHHUSA-N 0 0 273.336 3.339 10 30 CGEERN N#Cc1c2cc(O)ccc2nc2c1COc1cc(O)ccc1-2 ZINC000028949787 368890535 /nfs/dbraw/zinc/89/05/35/368890535.db2.gz BEPBQWCCVBVLGI-UHFFFAOYSA-N 0 0 290.278 3.077 10 30 CGEERN CCOc1ccc(NC2=NCCCS2)cc1OCC ZINC000034971973 368984022 /nfs/dbraw/zinc/98/40/22/368984022.db2.gz WAPCXYJELGNXEO-UHFFFAOYSA-N 0 0 280.393 3.198 10 30 CGEERN CC(C)Cc1ccc([C@H](C)NC(=O)CSCC#N)cc1 ZINC000041765160 369196200 /nfs/dbraw/zinc/19/62/00/369196200.db2.gz FUIPAJADPSKPQS-ZDUSSCGKSA-N 0 0 290.432 3.319 10 30 CGEERN [NH3+][C@@H](/C=N/[O-])c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000044830784 369270818 /nfs/dbraw/zinc/27/08/18/369270818.db2.gz DIQCUSJNWHOORW-JJSRBOOSSA-N 0 0 286.175 3.184 10 30 CGEERN COc1cc(CN[C@@H]2CCC[C@@H]2C#N)ccc1OC(C)C ZINC000061891670 369611017 /nfs/dbraw/zinc/61/10/17/369611017.db2.gz WHPKCHRPZBEFRM-HUUCEWRRSA-N 0 0 288.391 3.264 10 30 CGEERN COc1cc(CN[C@H]2CCC[C@H]2C#N)cc(Cl)c1OC ZINC000061892201 369611295 /nfs/dbraw/zinc/61/12/95/369611295.db2.gz IRCKIPHRNKCRBH-AAEUAGOBSA-N 0 0 294.782 3.139 10 30 CGEERN CC(C)Oc1cccc(CN[C@H]2CCC[C@@H]2C#N)c1 ZINC000061892726 369612270 /nfs/dbraw/zinc/61/22/70/369612270.db2.gz SFVTYFRJUCKFHH-ZBFHGGJFSA-N 0 0 258.365 3.256 10 30 CGEERN O=C(C#Cc1ccccc1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000081129648 369994977 /nfs/dbraw/zinc/99/49/77/369994977.db2.gz ZUHQWRCQDCKQFH-ZIAGYGMSSA-N 0 0 295.304 3.275 10 30 CGEERN Cc1ccc(-n2c(Br)ccc2C#N)cc1 ZINC000098178574 370268147 /nfs/dbraw/zinc/26/81/47/370268147.db2.gz WKZJKRTWAWJZPG-UHFFFAOYSA-N 0 0 261.122 3.420 10 30 CGEERN COC(=O)c1ccc(/N=C/c2ccc(C#N)cc2)cc1 ZINC000100035264 370270597 /nfs/dbraw/zinc/27/05/97/370270597.db2.gz WOWMSSTZVSBGIA-WOJGMQOQSA-N 0 0 264.284 3.095 10 30 CGEERN Cn1cc([C@@H]2CCCN2c2ccc(C#N)c(Cl)c2)cn1 ZINC000110537871 370386894 /nfs/dbraw/zinc/38/68/94/370386894.db2.gz SNUPJGRFDUWBSB-HNNXBMFYSA-N 0 0 286.766 3.287 10 30 CGEERN CC(C)CCC[C@@H](C)Nc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000232542963 189817343 /nfs/dbraw/zinc/81/73/43/189817343.db2.gz FTWKPYDDDAOCSU-LLVKDONJSA-N 0 0 276.340 3.488 10 30 CGEERN C[C@@H]1C[C@@H]1Nc1ccc(C#N)cc1Br ZINC000134785708 371363707 /nfs/dbraw/zinc/36/37/07/371363707.db2.gz RRFHRWKXTCANGM-HQJQHLMTSA-N 0 0 251.127 3.141 10 30 CGEERN N#CC1(c2cnc(C(F)(F)F)nc2)CCCCC1 ZINC000220009925 376206042 /nfs/dbraw/zinc/20/60/42/376206042.db2.gz GHNRBUGNPPZXIK-UHFFFAOYSA-N 0 0 255.243 3.221 10 30 CGEERN CCCCCCCC(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000135344324 371417924 /nfs/dbraw/zinc/41/79/24/371417924.db2.gz HBKLTBGCVSAMRE-CYBMUJFWSA-N 0 0 292.427 3.152 10 30 CGEERN C[C@@H]1OCC[C@H]1Nc1ccc(C#N)cc1C(F)(F)F ZINC000147496973 371519237 /nfs/dbraw/zinc/51/92/37/371519237.db2.gz UTAGZZGJJOPXNG-GZMMTYOYSA-N 0 0 270.254 3.166 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NCc1cccc(Cl)c1F ZINC000168914139 372623862 /nfs/dbraw/zinc/62/38/62/372623862.db2.gz PIPPKFCHGMNCIP-JOYOIKCWSA-N 0 0 252.720 3.261 10 30 CGEERN N#Cc1ccc(CNC(=O)[C@@H]2C[C@H]2C2CCCCC2)cc1 ZINC000172748659 373025832 /nfs/dbraw/zinc/02/58/32/373025832.db2.gz DRNGPSNGRZOOTP-DLBZAZTESA-N 0 0 282.387 3.391 10 30 CGEERN N#Cc1cc(F)ccc1N[C@H]1CCN(c2ccccc2)C1 ZINC000301409581 373774175 /nfs/dbraw/zinc/77/41/75/373774175.db2.gz XFUDRRFKLHMXMP-HNNXBMFYSA-N 0 0 281.334 3.388 10 30 CGEERN C[C@H](CCC(C)(C)C)Nc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000302749966 373951882 /nfs/dbraw/zinc/95/18/82/373951882.db2.gz UYSAPXUYVLGSQQ-SNVBAGLBSA-N 0 0 276.340 3.488 10 30 CGEERN Cc1ccc(N2CCC[C@H]2c2ccco2)nc1C#N ZINC000302635923 373911274 /nfs/dbraw/zinc/91/12/74/373911274.db2.gz KEEWJTMJWYOVAJ-ZDUSSCGKSA-N 0 0 253.305 3.196 10 30 CGEERN CSc1ccc(Nc2ccc([N+](=O)[O-])c(C#N)n2)cc1 ZINC000302696288 373931706 /nfs/dbraw/zinc/93/17/06/373931706.db2.gz DOMVIUCFAAAHKJ-UHFFFAOYSA-N 0 0 286.316 3.327 10 30 CGEERN COCc1ccc(Nc2cc(C)nc(C)c2C#N)cc1 ZINC000302839667 373981372 /nfs/dbraw/zinc/98/13/72/373981372.db2.gz ZLETZUZXJDWAFP-UHFFFAOYSA-N 0 0 267.332 3.460 10 30 CGEERN CC(C)[C@H](C)NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000182351967 374262861 /nfs/dbraw/zinc/26/28/61/374262861.db2.gz VDDDACDWBDKJLO-LBPRGKRZSA-N 0 0 256.349 3.016 10 30 CGEERN CCn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1C=CCCC1 ZINC000328636004 374373231 /nfs/dbraw/zinc/37/32/31/374373231.db2.gz VHBPKAINGZHNMG-GZBFAFLISA-N 0 0 289.379 3.046 10 30 CGEERN CC[C@H](NC(=O)C[C@@H]1CCCCC(=O)N1)[C@@H]1CCCO1 ZINC000328639578 374373972 /nfs/dbraw/zinc/37/39/72/374373972.db2.gz DTFCXQZCDWFSNM-AVGNSLFASA-N 0 0 282.384 3.190 10 30 CGEERN CCN(CCC1CC1)C(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000328697769 374376940 /nfs/dbraw/zinc/37/69/40/374376940.db2.gz LLBIBFYYNJSMAO-ZDUSSCGKSA-N 0 0 293.411 3.064 10 30 CGEERN Cc1cn2c(n1)[C@H](CNC(=O)[C@@H](C)c1cccnc1)CCC2 ZINC000328843466 374387307 /nfs/dbraw/zinc/38/73/07/374387307.db2.gz UWCRMPYMLJHXRH-ZFWWWQNUSA-N 0 0 298.390 3.224 10 30 CGEERN C=C1C(=O)O[C@H]2CC(C)=CCCC(C)=C[C@@H](OC(C)=O)[C@H]12 ZINC000255992951 190000100 /nfs/dbraw/zinc/00/01/00/190000100.db2.gz ORJVLIMAQARNOU-PMPSAXMXSA-N 0 0 290.359 3.092 10 30 in-vitro CGEERN CSc1nnc(C(F)F)n1N=Cc1sccc1C ZINC000254745529 377713576 /nfs/dbraw/zinc/71/35/76/377713576.db2.gz IBWRJBWHNVMMKZ-UHFFFAOYSA-N 0 0 288.348 3.190 10 30 CGEERN NC(=O)c1cccc(N=Cc2cccc(Cl)c2)c1 ZINC000254876597 377715407 /nfs/dbraw/zinc/71/54/07/377715407.db2.gz AMJCAYBKZLRUKU-UHFFFAOYSA-N 0 0 258.708 3.190 10 30 CGEERN C[C@@H]1O[C@@]1(C)C(=O)/C=C\c1ccc(Br)cc1 ZINC000256008079 377791876 /nfs/dbraw/zinc/79/18/76/377791876.db2.gz VZAQCPPALSJCEM-GPOIIHNASA-N 0 0 281.149 3.209 10 30 CGEERN COC(=O)c1cc(C#N)cc(SC(F)(F)F)c1F ZINC000575390605 377898099 /nfs/dbraw/zinc/89/80/99/377898099.db2.gz DZPAROSBYIZEKD-UHFFFAOYSA-N 0 0 279.214 3.096 10 30 CGEERN COC(=O)c1cc(SC(F)(F)F)c(F)cc1C#N ZINC000575390625 377898424 /nfs/dbraw/zinc/89/84/24/377898424.db2.gz HQYVMAMRWFGVFB-UHFFFAOYSA-N 0 0 279.214 3.096 10 30 CGEERN COC(=O)c1cc(C(F)(F)F)cc(C#N)c1C(F)F ZINC000575343732 377883582 /nfs/dbraw/zinc/88/35/82/377883582.db2.gz DVIVUWBSUNEHOT-UHFFFAOYSA-N 0 0 279.164 3.301 10 30 CGEERN CCOC(=O)c1cc(Cl)c(C#N)cc1OC(F)(F)F ZINC000575382896 377892521 /nfs/dbraw/zinc/89/25/21/377892521.db2.gz PJTSUHSJYZMORW-UHFFFAOYSA-N 0 0 293.628 3.287 10 30 CGEERN COC(=O)c1c(Cl)ccc(C#N)c1C(F)(F)F ZINC000575383239 377893904 /nfs/dbraw/zinc/89/39/04/377893904.db2.gz KTSYKTZTAPWEDP-UHFFFAOYSA-N 0 0 263.602 3.017 10 30 CGEERN CCOC(=O)c1cc(C#N)cc(OC(F)F)c1C(F)F ZINC000575385556 377895141 /nfs/dbraw/zinc/89/51/41/377895141.db2.gz ZWXNPLDGNUYXHW-UHFFFAOYSA-N 0 0 291.200 3.274 10 30 CGEERN CCOC(=O)Cc1cc(CC)cc(C#N)c1C(F)F ZINC000575389413 377897454 /nfs/dbraw/zinc/89/74/54/377897454.db2.gz GWCUGXHWOKUXJM-UHFFFAOYSA-N 0 0 267.275 3.164 10 30 CGEERN C[C@@H]1CCC[C@](C#N)(NC(=O)OC(C)(C)C)CC1 ZINC000575496984 377916506 /nfs/dbraw/zinc/91/65/06/377916506.db2.gz QQOVTBNISITOLK-RISCZKNCSA-N 0 0 252.358 3.374 10 30 CGEERN N#CCc1ccc(C#N)c(OC(F)F)c1C(F)(F)F ZINC000575638888 377924118 /nfs/dbraw/zinc/92/41/18/377924118.db2.gz KZKHHMOFWUFRER-UHFFFAOYSA-N 0 0 276.164 3.245 10 30 CGEERN N#CCc1cc(C#N)c(OC(F)F)cc1C(F)(F)F ZINC000575639127 377924222 /nfs/dbraw/zinc/92/42/22/377924222.db2.gz OWLHDSRGYQDAIS-UHFFFAOYSA-N 0 0 276.164 3.245 10 30 CGEERN COc1c(CC#N)ccc(OC(F)F)c1C(F)F ZINC000575651819 377929476 /nfs/dbraw/zinc/92/94/76/377929476.db2.gz DXTHEVGDSCEKHJ-UHFFFAOYSA-N 0 0 263.190 3.300 10 30 CGEERN CCOc1ccc(CC)c(OC(F)F)c1CC#N ZINC000575656522 377933570 /nfs/dbraw/zinc/93/35/70/377933570.db2.gz QPFNBMBNBZKEJQ-UHFFFAOYSA-N 0 0 255.264 3.315 10 30 CGEERN Cc1cc(C#N)cc(OC(F)(F)F)c1OC(F)F ZINC000575664838 377940826 /nfs/dbraw/zinc/94/08/26/377940826.db2.gz NJHFGPDWVGPAAT-UHFFFAOYSA-N 0 0 267.153 3.367 10 30 CGEERN CCOc1c(CC)cc(C#N)cc1OC(F)(F)F ZINC000575671461 377947133 /nfs/dbraw/zinc/94/71/33/377947133.db2.gz KARUOCQHJNJXQM-UHFFFAOYSA-N 0 0 259.227 3.418 10 30 CGEERN CCOC(=O)c1ccc(C#N)c(OCC)c1C(F)(F)F ZINC000575670843 377947612 /nfs/dbraw/zinc/94/76/12/377947612.db2.gz NJZQSYDDEXMQDC-UHFFFAOYSA-N 0 0 287.237 3.152 10 30 CGEERN Cc1c(Br)ccc(OC(F)F)c1C#N ZINC000575683153 377957079 /nfs/dbraw/zinc/95/70/79/377957079.db2.gz KUYDGAXWDUXMHC-UHFFFAOYSA-N 0 0 262.053 3.231 10 30 CGEERN COc1ccc(Br)c(CC#N)c1Cl ZINC000575673674 377949289 /nfs/dbraw/zinc/94/92/89/377949289.db2.gz FMQPVSIWVNTZRA-UHFFFAOYSA-N 0 0 260.518 3.177 10 30 CGEERN Fc1cc(F)c(OC(F)F)c(OC(F)(F)F)c1 ZINC000575396781 377903653 /nfs/dbraw/zinc/90/36/53/377903653.db2.gz JWVNUDZMFHAZPU-UHFFFAOYSA-N 0 0 264.096 3.465 10 30 CGEERN Cc1cc(Br)c(OC(F)F)c(C#N)c1 ZINC000575683906 377957703 /nfs/dbraw/zinc/95/77/03/377957703.db2.gz UERYYGSTIGVFRH-UHFFFAOYSA-N 0 0 262.053 3.231 10 30 CGEERN Cc1ccc(C#N)c(OC(F)F)c1Br ZINC000575684962 377960393 /nfs/dbraw/zinc/96/03/93/377960393.db2.gz XZSYTUUHBMFZJX-UHFFFAOYSA-N 0 0 262.053 3.231 10 30 CGEERN N#CCc1c(Br)cc([N+](=O)[O-])cc1C(F)F ZINC000575685885 377961240 /nfs/dbraw/zinc/96/12/40/377961240.db2.gz NGECQHAFRRDZFQ-UHFFFAOYSA-N 0 0 291.051 3.361 10 30 CGEERN N#Cc1cc(Br)c(F)cc1C(F)(F)F ZINC000575687774 377963055 /nfs/dbraw/zinc/96/30/55/377963055.db2.gz GJBITFDTRNLYHL-UHFFFAOYSA-N 0 0 268.007 3.479 10 30 CGEERN COc1cc(C(F)F)c(CC#N)cc1Br ZINC000575687965 377963412 /nfs/dbraw/zinc/96/34/12/377963412.db2.gz XVVFFFCWCWEWTE-UHFFFAOYSA-N 0 0 276.080 3.461 10 30 CGEERN CCc1cc([N+](=O)[O-])cc(CC#N)c1OC(F)(F)F ZINC000575706062 377977660 /nfs/dbraw/zinc/97/76/60/377977660.db2.gz LZIKXQLQMUESKW-UHFFFAOYSA-N 0 0 274.198 3.122 10 30 CGEERN N#C[C@@H](c1ccccn1)[C@@H](CCO)c1c(F)cccc1F ZINC000584628911 378395013 /nfs/dbraw/zinc/39/50/13/378395013.db2.gz ZDWLTLUHTQZBAH-VXGBXAGGSA-N 0 0 288.297 3.133 10 30 CGEERN O=C(N[C@@H]1CCOc2ccccc21)c1ncoc1C1CC1 ZINC000328711756 542443569 /nfs/dbraw/zinc/44/35/69/542443569.db2.gz RMPAXRHYRBCGJP-GFCCVEGCSA-N 0 0 284.315 3.380 10 30 CGEERN CC1(C)C[C@H]1NC(=O)Nc1ccc2scnc2c1 ZINC000328702184 542444008 /nfs/dbraw/zinc/44/40/08/542444008.db2.gz XCEUJLPVLVOTAO-LLVKDONJSA-N 0 0 261.350 3.230 10 30 CGEERN C[C@@H]1OCC[C@H]1NC(=O)C1(c2cccnc2)CCCC1 ZINC000329281642 542446339 /nfs/dbraw/zinc/44/63/39/542446339.db2.gz ADJLQVXXSBEPSQ-GXTWGEPZSA-N 0 0 274.364 3.027 10 30 CGEERN CC(C)c1scnc1NC(=O)N[C@H]1CCC[C@@H]1C#N ZINC000332870827 542451009 /nfs/dbraw/zinc/45/10/09/542451009.db2.gz ONBLFHHARYXWLV-ZJUUUORDSA-N 0 0 278.381 3.080 10 30 CGEERN CCSc1nc(-c2ccc(C)cc2)c(C#N)c(N)c1C#N ZINC000096336704 256839443 /nfs/dbraw/zinc/83/94/43/256839443.db2.gz GDQCFQOTROXIGJ-UHFFFAOYSA-N 0 0 294.383 3.495 10 30 CGEERN C[C@H]1c2ccsc2CCN1c1cc(C#N)ccn1 ZINC000050683296 392065486 /nfs/dbraw/zinc/06/54/86/392065486.db2.gz WZFHJQGOUZCSEU-JTQLQIEISA-N 0 0 255.346 3.138 10 30 CGEERN N#Cc1ccc(N2CC[C@]3(O)CCCC[C@H]3C2)cc1Cl ZINC000227376526 130843713 /nfs/dbraw/zinc/84/37/13/130843713.db2.gz ARFOFYSPAHMUCI-XJKSGUPXSA-N 0 0 290.794 3.343 10 30 CGEERN C=CCNC(=O)c1ccc(N[C@H]2CCC[C@H](C3CC3)C2)nc1 ZINC000301408443 392590379 /nfs/dbraw/zinc/59/03/79/392590379.db2.gz INOVGSFJHQFPQM-HOCLYGCPSA-N 0 0 299.418 3.378 10 30 CGEERN C[C@H](CC1CCCCC1)C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000408328182 392972455 /nfs/dbraw/zinc/97/24/55/392972455.db2.gz FXHGWPYVLMOLLJ-BPLDGKMQSA-N 0 0 262.397 3.401 10 30 CGEERN N#Cc1cc(Br)cnc1OCc1ccccc1 ZINC000211496230 392985026 /nfs/dbraw/zinc/98/50/26/392985026.db2.gz SHELPAKLRXXXQX-UHFFFAOYSA-N 0 0 289.132 3.295 10 30 CGEERN C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@H]4[C@H]3CC[C@@]21C ZINC000257373052 393137016 /nfs/dbraw/zinc/13/70/16/393137016.db2.gz VIKNJXKGJWUCNN-YRYYUTHUSA-N 0 0 298.426 3.493 10 30 CGEERN CC#CCC[C@@H](O)c1cscc1Br ZINC000307520755 397680887 /nfs/dbraw/zinc/68/08/87/397680887.db2.gz YGSQZKDFEUXUEU-SNVBAGLBSA-N 0 0 259.168 3.348 10 30 CGEERN C=C[C@H]([C@@H](O)C1CCCCC1)n1nnc2ccccc21 ZINC000005631392 170122196 /nfs/dbraw/zinc/12/21/96/170122196.db2.gz IKQLLAVQVNOBQS-ZBFHGGJFSA-N 0 0 271.364 3.100 10 30 CGEERN CC(C)c1ccc(/C=N/N2C(=O)c3ccccc3C2=O)cc1 ZINC000006674538 170225220 /nfs/dbraw/zinc/22/52/20/170225220.db2.gz WLKNNSLNJIWNEU-YBFXNURJSA-N 0 0 292.338 3.440 10 30 CGEERN N#CCC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000006861663 170250698 /nfs/dbraw/zinc/25/06/98/170250698.db2.gz DQJOWYNRYDSOJS-UHFFFAOYSA-N 0 0 263.511 3.499 10 30 CGEERN COc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1C ZINC000014014182 170615941 /nfs/dbraw/zinc/61/59/41/170615941.db2.gz JJNBNGLOXVVJFE-GZTJUZNOSA-N 0 0 299.399 3.324 10 30 CGEERN N/C(=N\O)c1ccc(COc2ccc(Cl)cc2)cc1 ZINC000019808332 170877470 /nfs/dbraw/zinc/87/74/70/170877470.db2.gz RHAJXWMPRSXMPR-UHFFFAOYSA-N 0 0 276.723 3.014 10 30 CGEERN C[C@@H](OCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000019847402 170896798 /nfs/dbraw/zinc/89/67/98/170896798.db2.gz ZIJOCWALTKCEDY-CYBMUJFWSA-N 0 0 280.327 3.275 10 30 CGEERN CC[C@H](C)S[C@H](C)C(=O)Nc1ccc(C#N)cc1 ZINC000019870174 170901487 /nfs/dbraw/zinc/90/14/87/170901487.db2.gz ANQSLAQFHLXDBE-WDEREUQCSA-N 0 0 262.378 3.417 10 30 CGEERN CC(C)c1nccn1[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000020030514 170973701 /nfs/dbraw/zinc/97/37/01/170973701.db2.gz XNSKHDRXZNUSOO-LBPRGKRZSA-N 0 0 282.347 3.078 10 30 CGEERN N#Cc1ccccc1NCC(=O)Nc1cccc(Cl)c1 ZINC000020051352 170979245 /nfs/dbraw/zinc/97/92/45/170979245.db2.gz VQQDBZVYYBLYOI-UHFFFAOYSA-N 0 0 285.734 3.262 10 30 CGEERN COc1cc(C#N)ccc1Oc1ccccc1C#N ZINC000020077496 170984986 /nfs/dbraw/zinc/98/49/86/170984986.db2.gz OKQHXXOJRHIROL-UHFFFAOYSA-N 0 0 250.257 3.231 10 30 CGEERN CCCN[C@H](C#N)c1ccc(F)c(Br)c1 ZINC000020380384 171172855 /nfs/dbraw/zinc/17/28/55/171172855.db2.gz MJOTYPLJFLPPDZ-LLVKDONJSA-N 0 0 271.133 3.152 10 30 CGEERN COc1cc(C#N)ccc1Oc1ccc(N)cc1F ZINC000020474903 171219254 /nfs/dbraw/zinc/21/92/54/171219254.db2.gz SPHXQDNTXXXYGC-UHFFFAOYSA-N 0 0 258.252 3.080 10 30 CGEERN S=c1[nH]nc(NN=Cc2cccc3ccccc23)[nH]1 ZINC000020805553 171273264 /nfs/dbraw/zinc/27/32/64/171273264.db2.gz LUIAKVZHCWHSRH-RIYZIHGNSA-N 0 0 269.333 3.066 10 30 CGEERN CC(C)(C)OC(=O)N1C[C@H]2C[C@@]23C1=CC(=O)c1ccccc13 ZINC000026475635 171486909 /nfs/dbraw/zinc/48/69/09/171486909.db2.gz BSXDTBRZYMNNRS-ADLMAVQZSA-N 0 0 297.354 3.275 10 30 CGEERN C[C@H]1CCC[C@@H](NC(=O)/C=C/c2cccc(C#N)c2)C1 ZINC000033175516 171772651 /nfs/dbraw/zinc/77/26/51/171772651.db2.gz XRHPIEUPRPPDRS-FTJFNGAWSA-N 0 0 268.360 3.266 10 30 CGEERN N#CCc1ccc(OCc2cc(F)ccc2N)cc1 ZINC000035308696 172121349 /nfs/dbraw/zinc/12/13/49/172121349.db2.gz HBALMFTURQYDKR-UHFFFAOYSA-N 0 0 256.280 3.053 10 30 CGEERN CCCC1N=NC(=S)N1N=Cc1cccc(Cl)c1 ZINC000035418275 172190420 /nfs/dbraw/zinc/19/04/20/172190420.db2.gz RFTAKTFHXBONKJ-ZSOIEALJSA-N 0 0 280.784 3.055 10 30 CGEERN Cc1ccc(C)c(S(=O)(=O)C2(C#N)CCCCC2)c1 ZINC000035676792 172348163 /nfs/dbraw/zinc/34/81/63/172348163.db2.gz USSDWECDDDNEOT-UHFFFAOYSA-N 0 0 277.389 3.304 10 30 CGEERN Cc1ccc(C)c(Sc2ncc(N)cc2C#N)c1 ZINC000037759429 173685065 /nfs/dbraw/zinc/68/50/65/173685065.db2.gz DRDJFSIVPJHEAG-UHFFFAOYSA-N 0 0 255.346 3.304 10 30 CGEERN N#Cc1cc(N)cnc1Sc1ccc2c(c1)CCC2 ZINC000037759440 173685098 /nfs/dbraw/zinc/68/50/98/173685098.db2.gz JLQHFPUWGATBKU-UHFFFAOYSA-N 0 0 267.357 3.175 10 30 CGEERN N#CC1(Nc2ccc(F)cc2)Cc2ccccc2C1 ZINC000037935938 173877066 /nfs/dbraw/zinc/87/70/66/173877066.db2.gz XMXDRBNOYCTGTD-UHFFFAOYSA-N 0 0 252.292 3.299 10 30 CGEERN COc1ccccc1N[C@@H](C#N)c1ccc(O)cc1 ZINC000037938722 173878487 /nfs/dbraw/zinc/87/84/87/173878487.db2.gz CFCQLTNTXZHCEQ-AWEZNQCLSA-N 0 0 254.289 3.078 10 30 CGEERN CC[C@@H](C)N[C@]1(C#N)CCCc2cc(OC)ccc21 ZINC000038064402 174075379 /nfs/dbraw/zinc/07/53/79/174075379.db2.gz GZXWPRVAQVDXGE-WBMJQRKESA-N 0 0 258.365 3.138 10 30 CGEERN CC[C@H](C)N[C@H](C#N)c1cc(Cl)c2c(c1)OCCO2 ZINC000038064453 174075452 /nfs/dbraw/zinc/07/54/52/174075452.db2.gz NVBYMICZHKRBRV-JOYOIKCWSA-N 0 0 280.755 3.064 10 30 CGEERN CC[C@H](C)N[C@@H](C#N)c1ccc(OC)c(Br)c1 ZINC000038064547 174075533 /nfs/dbraw/zinc/07/55/33/174075533.db2.gz BQQYBTBKIFPJJG-CABZTGNLSA-N 0 0 297.196 3.410 10 30 CGEERN N#CCOc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O ZINC000039754420 174172410 /nfs/dbraw/zinc/17/24/10/174172410.db2.gz SCUKOPNUFIPVGZ-YBEGLDIGSA-N 0 0 277.279 3.205 10 30 CGEERN CCC[C@H](C#N)NC(=O)Nc1ccccc1Cl ZINC000040220804 174206915 /nfs/dbraw/zinc/20/69/15/174206915.db2.gz PFXJZGNFNLLESN-SECBINFHSA-N 0 0 251.717 3.154 10 30 CGEERN CCc1nc(C#N)c(N=NCc2c[nH]c3ccccc23)o1 ZINC000040570601 174338565 /nfs/dbraw/zinc/33/85/65/174338565.db2.gz KHDAXOYWVSPVOA-GIJQJNRQSA-N 0 0 279.303 3.036 10 30 CGEERN CC[C@@H](NC(=O)C1(C#N)CCCC1)c1cccs1 ZINC000044766700 175249429 /nfs/dbraw/zinc/24/94/29/175249429.db2.gz WDWNETDSBKTPLU-LLVKDONJSA-N 0 0 262.378 3.399 10 30 CGEERN Cc1c(C)c(Oc2cccc(C#N)c2)nnc1Cl ZINC000071170714 176051332 /nfs/dbraw/zinc/05/13/32/176051332.db2.gz CSZAHTRLKKSTLZ-UHFFFAOYSA-N 0 0 259.696 3.411 10 30 CGEERN Cc1ccc(OCc2cccc(C#N)c2)c(C=O)c1 ZINC000071408327 176156625 /nfs/dbraw/zinc/15/66/25/176156625.db2.gz XMPYJJXBKYMFMR-UHFFFAOYSA-N 0 0 251.285 3.258 10 30 CGEERN CCn1cc(C(F)F)c(-c2ccc(C#N)s2)n1 ZINC000725269870 544114885 /nfs/dbraw/zinc/11/48/85/544114885.db2.gz FTLBTBHLTJXWQD-UHFFFAOYSA-N 0 0 253.277 3.441 10 30 CGEERN C[C@@H]1CN(c2ccc(Cl)cc2C#N)CCS1 ZINC000135471962 287471064 /nfs/dbraw/zinc/47/10/64/287471064.db2.gz LLIWIVIDCYOXTJ-SECBINFHSA-N 0 0 252.770 3.153 10 30 CGEERN O=C(NC[C@@H]1C[C@H]1C1CCCCC1)[C@H]1CNC(=O)C1 ZINC000329354755 227463705 /nfs/dbraw/zinc/46/37/05/227463705.db2.gz VNTOKVNHORBVPI-XQQFMLRXSA-N 0 0 264.369 3.136 10 30 CGEERN NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H]1CCCCNC1=O ZINC000329793118 227949853 /nfs/dbraw/zinc/94/98/53/227949853.db2.gz ASSRMSJAOUAAMA-TUAOUCFPSA-N 0 0 295.383 3.184 10 30 CGEERN C[C@H]1CCCC[C@H]1OCC(=O)Nc1nc2cccnc2[nH]1 ZINC000330039262 228024294 /nfs/dbraw/zinc/02/42/94/228024294.db2.gz FGVIXOJCTAKSNY-CMPLNLGQSA-N 0 0 288.351 3.141 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)c1ccc2c3c(cccc31)CC2 ZINC000330053341 228027464 /nfs/dbraw/zinc/02/74/64/228027464.db2.gz QGHZGMMHWWATJS-RHSMWYFYSA-N 0 0 290.366 3.360 10 30 CGEERN N#C[C@H]1CCC[C@H]1NCc1ncc(-c2cccs2)o1 ZINC000333146960 228189455 /nfs/dbraw/zinc/18/94/55/228189455.db2.gz BGKXMGJRTQUCPT-GHMZBOCLSA-N 0 0 273.361 3.185 10 30 CGEERN O=CC[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 ZINC000095931278 260558282 /nfs/dbraw/zinc/55/82/82/260558282.db2.gz FYCDXSYDSNLCLK-MRXNPFEDSA-N 0 0 283.327 3.243 10 30 CGEERN CC[C@](C)(C#N)C(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000136211958 260924983 /nfs/dbraw/zinc/92/49/83/260924983.db2.gz WSCKLIVLSOZOFM-IINYFYTJSA-N 0 0 264.756 3.457 10 30 CGEERN CC(=O)Nc1ccc(/N=C\c2ccc(C#N)cc2)cc1 ZINC000095935907 278189903 /nfs/dbraw/zinc/18/99/03/278189903.db2.gz HGDJGWWHIYKFJL-WQRHYEAKSA-N 0 0 263.300 3.267 10 30 CGEERN Cc1cc2c(n1C)CCC[C@H]2Nc1ncccc1C#N ZINC000301061093 278755629 /nfs/dbraw/zinc/75/56/29/278755629.db2.gz ADFAPYBELMQOMN-CQSZACIVSA-N 0 0 266.348 3.090 10 30 CGEERN CC(C)[C@H]1CCO[C@H]1C(=O)NCC1(CCO)CCCCC1 ZINC000330152266 280390404 /nfs/dbraw/zinc/39/04/04/280390404.db2.gz WPIYCRWTLYHFJF-HUUCEWRRSA-N 0 0 297.439 3.337 10 30 CGEERN N#C[C@@]1(c2cccc(Br)c2)CC1(F)F ZINC000039325688 294835886 /nfs/dbraw/zinc/83/58/86/294835886.db2.gz LJFHIXQBKUXFFP-SECBINFHSA-N 0 0 258.065 3.249 10 30 CGEERN C[C@H]1CN([C@@H](C#N)c2c(F)cccc2Cl)C[C@H](C)O1 ZINC000035575502 300291258 /nfs/dbraw/zinc/29/12/58/300291258.db2.gz UOCKKCZEJIIUNV-KWBADKCTSA-N 0 0 282.746 3.153 10 30 CGEERN N#C[C@@]1(C(=O)NC2C3CC4CC(C3)CC2C4)CC12CCCC2 ZINC000333831446 303164978 /nfs/dbraw/zinc/16/49/78/303164978.db2.gz LHUMIKDWUZJSLD-HXDXRCNISA-N 0 0 298.430 3.401 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)C1CCC(C(F)(F)F)CC1 ZINC000216304572 303167085 /nfs/dbraw/zinc/16/70/85/303167085.db2.gz BMKYKFIMZKLGSC-RSJDFQLWSA-N 0 0 288.313 3.164 10 30 CGEERN N#Cc1cc(Cl)ccc1N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000227374211 303180934 /nfs/dbraw/zinc/18/09/34/303180934.db2.gz ZZHUZOURHNYMGG-XJKSGUPXSA-N 0 0 290.794 3.343 10 30 CGEERN C=C(C)CN(CC)C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109081887 326824095 /nfs/dbraw/zinc/82/40/95/326824095.db2.gz XAHYNIONLQQPFX-CHWSQXEVSA-N 0 0 279.330 3.493 10 30 CGEERN C[C@H]1CC[C@@H](NC(=O)C2(C#N)CCOCC2)c2ccccc21 ZINC000125183498 327390906 /nfs/dbraw/zinc/39/09/06/327390906.db2.gz XKPWCIPCZPXZFM-XJKSGUPXSA-N 0 0 298.386 3.062 10 30 CGEERN CC(C)c1nc(C2(NCCCCC#N)CCCC2)no1 ZINC000173702252 329150957 /nfs/dbraw/zinc/15/09/57/329150957.db2.gz OTUROPUSYWZBEP-UHFFFAOYSA-N 0 0 276.384 3.246 10 30 CGEERN C=C(C)CN(C)C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000183419563 329247549 /nfs/dbraw/zinc/24/75/49/329247549.db2.gz GULXFCGEOUILGN-OAHLLOKOSA-N 0 0 276.355 3.421 10 30 CGEERN C#CCCCC(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000192135574 329429179 /nfs/dbraw/zinc/42/91/79/329429179.db2.gz FFDYCOFUFGIHKG-UHFFFAOYSA-N 0 0 288.366 3.032 10 30 CGEERN C#Cc1cccc(NC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)c1 ZINC000117589581 329546292 /nfs/dbraw/zinc/54/62/92/329546292.db2.gz QGCBQCLKYUHJQB-YVEFUNNKSA-N 0 0 277.323 3.171 10 30 CGEERN C=C(C)C[C@@H](C)C(=O)N[C@H](C)COCc1ccccc1 ZINC000185700813 333146870 /nfs/dbraw/zinc/14/68/70/333146870.db2.gz PSWFPQRZHZNIEL-HUUCEWRRSA-N 0 0 275.392 3.310 10 30 CGEERN CCC(CC)CN(CCC#N)Cc1nnc(C(C)C)n1C ZINC000173555466 335136201 /nfs/dbraw/zinc/13/62/01/335136201.db2.gz BLHCUFQSOGODEI-UHFFFAOYSA-N 0 0 291.443 3.090 10 30 CGEERN C=CCNC(=O)N[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000127755996 333635466 /nfs/dbraw/zinc/63/54/66/333635466.db2.gz IXMLEHWCSQIGDN-CYBMUJFWSA-N 0 0 276.380 3.268 10 30 CGEERN CC[C@@](C)(C#N)C(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000136277780 334151183 /nfs/dbraw/zinc/15/11/83/334151183.db2.gz MVFXSFKWUZZNFZ-NHYWBVRUSA-N 0 0 262.328 3.251 10 30 CGEERN C=C(C)CNC(=O)N[C@H](C)c1cccc(Br)c1 ZINC000156303603 334739157 /nfs/dbraw/zinc/73/91/57/334739157.db2.gz AWCUQXYXSOCVRB-SNVBAGLBSA-N 0 0 297.196 3.385 10 30 CGEERN C=C(C)CNC(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000156303477 334739303 /nfs/dbraw/zinc/73/93/03/334739303.db2.gz AWCUQXYXSOCVRB-JTQLQIEISA-N 0 0 297.196 3.385 10 30 CGEERN C#CCN(C(=O)[C@H](C)c1ccc(OC)cc1)C1CCCC1 ZINC000163900073 334873850 /nfs/dbraw/zinc/87/38/50/334873850.db2.gz RUDVNTVNUCMVNZ-CQSZACIVSA-N 0 0 285.387 3.203 10 30 CGEERN C[C@H]1CC[C@H](C(=O)Nc2sc3c(c2C#N)CCCC3)O1 ZINC000178288980 335424677 /nfs/dbraw/zinc/42/46/77/335424677.db2.gz FHAOXRHVMIZTNC-JOYOIKCWSA-N 0 0 290.388 3.005 10 30 CGEERN CC(C)c1nnc(COc2ccc(C#N)cc2Cl)n1C ZINC000194682469 336037148 /nfs/dbraw/zinc/03/71/48/336037148.db2.gz IQGYAFPESVTZFF-UHFFFAOYSA-N 0 0 290.754 3.043 10 30 CGEERN CCN[C@@H](C#N)CCOc1ccccc1[C@H](C)CC ZINC000062447142 520057918 /nfs/dbraw/zinc/05/79/18/520057918.db2.gz OWVHDKRIKMTYHP-ZIAGYGMSSA-N 0 0 260.381 3.471 10 30 CGEERN CCC(CC)N(CCO)c1ccc(C#N)cc1Cl ZINC000062791525 521553759 /nfs/dbraw/zinc/55/37/59/521553759.db2.gz NFYADPNDFJFDQU-UHFFFAOYSA-N 0 0 266.772 3.199 10 30 CGEERN Cc1cnc([C@H](C)NC(=O)N2CC[C@@H](C)C3(CCC3)C2)o1 ZINC000329467306 534630013 /nfs/dbraw/zinc/63/00/13/534630013.db2.gz WNYQLGXSAPMCTF-YPMHNXCESA-N 0 0 291.395 3.470 10 30 CGEERN CC[C@@H]1CO[C@H](C)CN1[C@@H](CC#N)c1ccccc1 ZINC000055020338 523517654 /nfs/dbraw/zinc/51/76/54/523517654.db2.gz IGUNXRBVVYGDNS-BMFZPTHFSA-N 0 0 258.365 3.141 10 30 CGEERN CN(c1ccc(C#N)cc1)c1nc(Cl)ccc1[N+](=O)[O-] ZINC000061984354 523634685 /nfs/dbraw/zinc/63/46/85/523634685.db2.gz JBMMMWVGLOXGLG-UHFFFAOYSA-N 0 0 288.694 3.283 10 30 CGEERN Cc1nc(-c2cccc(NC(=O)N3C[C@@H]4CCC[C@@H]43)c2)no1 ZINC000329927854 534860081 /nfs/dbraw/zinc/86/00/81/534860081.db2.gz LYLVXCIFZDSDBW-JSGCOSHPSA-N 0 0 298.346 3.075 10 30 CGEERN Cc1ccc(C#N)c(Sc2nnc3ccccn32)c1 ZINC000061406542 525993520 /nfs/dbraw/zinc/99/35/20/525993520.db2.gz IDUAPQNCOIPAFR-UHFFFAOYSA-N 0 0 266.329 3.061 10 30 CGEERN C[C@H](C1CC1)N(C)c1nc2c(cc1C#N)CCCC2 ZINC000053674186 526204360 /nfs/dbraw/zinc/20/43/60/526204360.db2.gz KJLUCZQLMVKLGF-LLVKDONJSA-N 0 0 255.365 3.067 10 30 CGEERN Cc1nnc(N[C@@H](C)C2CCCCC2)c(C#N)c1C ZINC000052343227 526372936 /nfs/dbraw/zinc/37/29/36/526372936.db2.gz OCXDXCTWMJRUBN-LBPRGKRZSA-N 0 0 258.369 3.346 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1cc(Cl)ccc1Cl ZINC000061888646 526499429 /nfs/dbraw/zinc/49/94/29/526499429.db2.gz NWQNEDBGMMBFKQ-UFBFGSQYSA-N 0 0 283.158 3.415 10 30 CGEERN N#C[C@@H]1CCCOc2cc(Br)ccc21 ZINC000062624332 526499914 /nfs/dbraw/zinc/49/99/14/526499914.db2.gz YZFZMVNLYMRGEA-QMMMGPOBSA-N 0 0 252.111 3.229 10 30 CGEERN N#C[C@H](C(=O)[C@@H]1CCCCO1)c1ccccc1Cl ZINC000050964015 526506710 /nfs/dbraw/zinc/50/67/10/526506710.db2.gz JJPCXSBBOLCFNR-AAEUAGOBSA-N 0 0 263.724 3.085 10 30 CGEERN N#C[C@H]1CCCC[C@@H]1NCc1ccc(F)cc1F ZINC000054829055 526512646 /nfs/dbraw/zinc/51/26/46/526512646.db2.gz WPLGIWBOMKTRNY-YGRLFVJLSA-N 0 0 250.292 3.137 10 30 CGEERN N#C[C@H]1CCCOc2cc(Br)ccc21 ZINC000062624330 526513491 /nfs/dbraw/zinc/51/34/91/526513491.db2.gz YZFZMVNLYMRGEA-MRVPVSSYSA-N 0 0 252.111 3.229 10 30 CGEERN N#Cc1ccc(-c2ccc(Br)s2)nc1 ZINC000049856319 526581255 /nfs/dbraw/zinc/58/12/55/526581255.db2.gz ZQTVFNMRRKOPRK-UHFFFAOYSA-N 0 0 265.135 3.444 10 30 CGEERN N#Cc1nc(NCCCC2CCCC2)ccc1[N+](=O)[O-] ZINC000236420479 526787765 /nfs/dbraw/zinc/78/77/65/526787765.db2.gz LCJFZCYHLSCJKG-UHFFFAOYSA-N 0 0 274.324 3.244 10 30 CGEERN CC(C)c1nc([C@@H]2CCCN2C(=O)N[C@H]2CC2(C)C)no1 ZINC000330237468 528307130 /nfs/dbraw/zinc/30/71/30/528307130.db2.gz HQSJHDNJTALYHF-QWRGUYRKSA-N 0 0 292.383 3.042 10 30 CGEERN CC(C)[C@@H]1CCCC[C@H]1NC(=O)c1cnn2ccncc12 ZINC000329348024 528652396 /nfs/dbraw/zinc/65/23/96/528652396.db2.gz VUINHOGATROOEP-GXTWGEPZSA-N 0 0 286.379 3.249 10 30 CGEERN Oc1ccccc1/C=N\[C@@H]1CCOc2ccccc21 ZINC000255917262 618880220 /nfs/dbraw/zinc/88/02/20/618880220.db2.gz DAIVPLBLCBKIIL-RQNDZEIBSA-N 0 0 253.301 3.335 10 30 CGEERN N#C[C@H]1CCC[C@H]1Nc1cc(C2CC2)nc(C2CC2)n1 ZINC000892795743 618937779 /nfs/dbraw/zinc/93/77/79/618937779.db2.gz FFWPGXYHKPCPRW-CHWSQXEVSA-N 0 0 268.364 3.336 10 30 CGEERN COc1ccc([C@@H](C)C(=O)OCC2(CC#N)CC2)cc1 ZINC000174737974 623638138 /nfs/dbraw/zinc/63/81/38/623638138.db2.gz PZZSOPOPXGNZNP-GFCCVEGCSA-N 0 0 273.332 3.036 10 30 CGEERN C=CCCO[C@@H](C)C(=O)O[C@H](C)Cc1ccc(OC)cc1 ZINC000102970283 626188865 /nfs/dbraw/zinc/18/88/65/626188865.db2.gz NPPAMMJMIGFYTH-KGLIPLIRSA-N 0 0 292.375 3.151 10 30 CGEERN COC[C@@H](C)C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000103356782 626327484 /nfs/dbraw/zinc/32/74/84/626327484.db2.gz FBHXQDDIJUOQPT-CYBMUJFWSA-N 0 0 295.338 3.413 10 30 CGEERN C=CCCO[C@H](C)C(=O)O[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000119666065 629682055 /nfs/dbraw/zinc/68/20/55/629682055.db2.gz DOLFCTXILQSUNP-QLFBSQMISA-N 0 0 296.407 3.249 10 30 CGEERN CC(C)(C)OC(=O)N1CC[C@@H]2C[C@H](S)CC[C@@H]21 ZINC000757159522 630586885 /nfs/dbraw/zinc/58/68/85/630586885.db2.gz MZOGBMOVIZHAMN-MXWKQRLJSA-N 0 0 257.399 3.094 10 30 CGEERN CC(C)(C#N)CSc1cncc(Br)c1 ZINC000757212182 630589729 /nfs/dbraw/zinc/58/97/29/630589729.db2.gz MIQOPBRVNYGHIP-UHFFFAOYSA-N 0 0 271.183 3.486 10 30 CGEERN C#CC[C@H](OC(=O)[C@H]1CC=CCC1)c1ccccn1 ZINC000105549191 635920708 /nfs/dbraw/zinc/92/07/08/635920708.db2.gz RBLXMEFWQADJDF-ZFWWWQNUSA-N 0 0 255.317 3.046 10 30 CGEERN CCCCCCCCCC(=O)N1C[C@H](C)[C@@H](C(=O)OC)C1 ZINC000128966697 636105309 /nfs/dbraw/zinc/10/53/09/636105309.db2.gz WENTXOVEBIETKN-GJZGRUSLSA-N 0 0 297.439 3.395 10 30 CGEERN C#CCCCCNC(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000129402454 636243807 /nfs/dbraw/zinc/24/38/07/636243807.db2.gz ODTSEFUTKFGAGE-MRXNPFEDSA-N 0 0 288.366 3.306 10 30 CGEERN C[C@H]1CN(c2nc3ccccc3cc2C#N)CCS1 ZINC000135815609 637185968 /nfs/dbraw/zinc/18/59/68/637185968.db2.gz YWAHNUMUCMXOGY-NSHDSACASA-N 0 0 269.373 3.048 10 30 CGEERN Cc1cc(C)cc([C@]2(F)CCN(c3cncc(C#N)n3)C2)c1 ZINC000885748335 637289750 /nfs/dbraw/zinc/28/97/50/637289750.db2.gz WNFKZLAINIMERL-KRWDZBQOSA-N 0 0 296.349 3.040 10 30 CGEERN CCCCCCCCC(=O)NC[C@H]1CCCC[C@H]1O ZINC000113739898 638273953 /nfs/dbraw/zinc/27/39/53/638273953.db2.gz IFZVJPHIOHCRND-HUUCEWRRSA-N 0 0 269.429 3.404 10 30 CGEERN CCCCCCCC(=O)NC[C@H]1CCCC[C@H]1O ZINC000113738513 638273996 /nfs/dbraw/zinc/27/39/96/638273996.db2.gz PUYGHLRHBQKLDZ-ZIAGYGMSSA-N 0 0 255.402 3.014 10 30 CGEERN CCn1ncc(/C=C\C(=O)c2ccc(C)cc2)c1C ZINC000096569040 640833070 /nfs/dbraw/zinc/83/30/70/640833070.db2.gz FQUKIOLMFGSSMS-KTKRTIGZSA-N 0 0 254.333 3.416 10 30 CGEERN COc1ccc(O)cc1C(=O)/C=C\c1ccc2c(c1)CCO2 ZINC000588409746 799689994 /nfs/dbraw/zinc/68/99/94/799689994.db2.gz WOLUZYMGDWUACR-DJWKRKHSSA-N 0 0 296.322 3.232 10 30 CGEERN C=C[C@](C)(CCOC)COC(=O)/C=C\c1ccccc1C#N ZINC000588552101 799710418 /nfs/dbraw/zinc/71/04/18/799710418.db2.gz ZQKITGAUKWIIRJ-HJCTWCACSA-N 0 0 299.370 3.343 10 30 CGEERN C/C=C\C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000095935900 185033549 /nfs/dbraw/zinc/03/35/49/185033549.db2.gz FQMJLARYYSOGTH-KXFIGUGUSA-N 0 0 260.362 3.403 10 30 CGEERN N#Cc1ncc(Br)c2cccc(F)c12 ZINC000082767460 178282272 /nfs/dbraw/zinc/28/22/72/178282272.db2.gz DGSDSDMZZGWBNU-UHFFFAOYSA-N 0 0 251.058 3.008 10 30 CGEERN N#Cc1cc2ccc(OCc3ccccc3)cc2oc1=O ZINC000033963062 344936984 /nfs/dbraw/zinc/93/69/84/344936984.db2.gz ZEKACIVJKORAGT-UHFFFAOYSA-N 0 0 277.279 3.244 10 30 CGEERN CC(C)[C@H](C#N)Nc1ccc(Br)cc1 ZINC000041049461 344966621 /nfs/dbraw/zinc/96/66/21/344966621.db2.gz PTUREGQUJPBDHY-NSHDSACASA-N 0 0 253.143 3.409 10 30 CGEERN Cc1cccc([S@@](=O)c2cccc(F)c2C#N)c1 ZINC000034459401 344939875 /nfs/dbraw/zinc/93/98/75/344939875.db2.gz BOBIESRGIDGIPT-SFHVURJKSA-N 0 0 259.305 3.173 10 30 CGEERN C[C@@H](C#N)CNc1cc(Br)ccc1F ZINC000036751843 344944784 /nfs/dbraw/zinc/94/47/84/344944784.db2.gz NQQUOGIZZBCLPY-ZETCQYMHSA-N 0 0 257.106 3.160 10 30 CGEERN CC[C@H](C#N)Oc1ccc(C)cc1Br ZINC000043542665 345000816 /nfs/dbraw/zinc/00/08/16/345000816.db2.gz VJGMOVVJDFMOPR-SECBINFHSA-N 0 0 254.127 3.439 10 30 CGEERN CC[C@H](C#N)C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000044825975 345017409 /nfs/dbraw/zinc/01/74/09/345017409.db2.gz DYBXWZYGRIHNCA-NXEZZACHSA-N 0 0 295.180 3.176 10 30 CGEERN CC[C@@H](C#N)C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000044825972 345017431 /nfs/dbraw/zinc/01/74/31/345017431.db2.gz DYBXWZYGRIHNCA-UWVGGRQHSA-N 0 0 295.180 3.176 10 30 CGEERN N#CCCCN1CCN(c2cccc(Cl)c2Cl)CC1 ZINC000059613775 345208055 /nfs/dbraw/zinc/20/80/55/345208055.db2.gz VOTOVNUEASEEOS-UHFFFAOYSA-N 0 0 298.217 3.419 10 30 CGEERN C[C@]1(c2ccc(Br)s2)CC(=O)C=CO1 ZINC000069852334 345386252 /nfs/dbraw/zinc/38/62/52/345386252.db2.gz YVULGZKQVUANIC-SNVBAGLBSA-N 0 0 273.151 3.229 10 30 CGEERN O=C1C=CO[C@H](c2ccc(Br)s2)C1 ZINC000069850288 345386305 /nfs/dbraw/zinc/38/63/05/345386305.db2.gz MGJAACLORSSQFX-ZETCQYMHSA-N 0 0 259.124 3.055 10 30 CGEERN O=C1C=CO[C@H](c2cc(Br)cs2)C1 ZINC000069850457 345386386 /nfs/dbraw/zinc/38/63/86/345386386.db2.gz BLQRJPMOMVRQIW-QMMMGPOBSA-N 0 0 259.124 3.055 10 30 CGEERN Cc1ccc(C#N)c(N2CCC(c3nccs3)CC2)n1 ZINC000376189051 136477880 /nfs/dbraw/zinc/47/78/80/136477880.db2.gz RVPKNVYLSLWYTG-UHFFFAOYSA-N 0 0 284.388 3.102 10 30 CGEERN N#C[C@@H]1CCO[C@H]1c1ccccc1Br ZINC000070672584 345392470 /nfs/dbraw/zinc/39/24/70/345392470.db2.gz WOQBIDBTVQUBQL-GZMMTYOYSA-N 0 0 252.111 3.050 10 30 CGEERN O=CCCCCOc1cccc(Br)c1 ZINC000070739027 345393986 /nfs/dbraw/zinc/39/39/86/345393986.db2.gz CPUDGFHWZWZCBP-UHFFFAOYSA-N 0 0 257.127 3.197 10 30 CGEERN C[C@@H](CNc1ccc(C#N)cc1[N+](=O)[O-])Nc1ccccc1 ZINC000084927983 345743808 /nfs/dbraw/zinc/74/38/08/345743808.db2.gz SYUFVMYJYTXCHP-LBPRGKRZSA-N 0 0 296.330 3.379 10 30 CGEERN N#Cc1nc(-c2ccc(Cl)c(Cl)c2)oc1N ZINC000085016907 345744413 /nfs/dbraw/zinc/74/44/13/345744413.db2.gz XAXPOCSHZLUOBP-UHFFFAOYSA-N 0 0 254.076 3.102 10 30 CGEERN Cc1ccc(/C=N/N=C/c2ccc(C#N)cc2)c(F)c1 ZINC000090131644 345784110 /nfs/dbraw/zinc/78/41/10/345784110.db2.gz GBNXCGIXFNTIQD-ROUMAOROSA-N 0 0 265.291 3.459 10 30 CGEERN CC[C@@H](C#N)NC(=O)c1ccccc1Nc1ccccc1 ZINC000123771604 346010359 /nfs/dbraw/zinc/01/03/59/346010359.db2.gz WIEJEHYSTVUAAQ-ZDUSSCGKSA-N 0 0 279.343 3.462 10 30 CGEERN Cc1ccc([C@H](C)NC(=O)C2(C#N)CC(C)C2)cc1F ZINC000124213189 346011490 /nfs/dbraw/zinc/01/14/90/346011490.db2.gz XIFFPUKKYBSVQW-YWFMTQBDSA-N 0 0 274.339 3.251 10 30 CGEERN C=CCC(=O)Nc1cccc(C)c1Br ZINC000132372851 346071465 /nfs/dbraw/zinc/07/14/65/346071465.db2.gz DWHSNXVNIGSUQV-UHFFFAOYSA-N 0 0 254.127 3.272 10 30 CGEERN CN(C)[C@@H](C#N)c1ccc(Cl)c(Br)c1 ZINC000137219351 346093056 /nfs/dbraw/zinc/09/30/56/346093056.db2.gz YVUORZMEFUHYSX-JTQLQIEISA-N 0 0 273.561 3.229 10 30 CGEERN N#Cc1cc(Br)c(Cl)c(Cl)c1N ZINC000131564140 346066292 /nfs/dbraw/zinc/06/62/92/346066292.db2.gz FQPCKNNIVZJMHV-UHFFFAOYSA-N 0 0 265.925 3.210 10 30 CGEERN C=CCN1CCN(C(=O)CCCCC2CCCCC2)CC1 ZINC000143690815 346114869 /nfs/dbraw/zinc/11/48/69/346114869.db2.gz YCFJICDCRMPUHM-UHFFFAOYSA-N 0 0 292.467 3.457 10 30 CGEERN N#CN=C(Nc1ccc(F)cc1F)Oc1ccccc1 ZINC000147668689 346127065 /nfs/dbraw/zinc/12/70/65/346127065.db2.gz NXPUWMPSGUKZRU-UHFFFAOYSA-N 0 0 273.242 3.293 10 30 CGEERN CCN(CC1CCCC1)c1nc(C)c([N+](=O)[O-])cc1C#N ZINC000148506807 346128454 /nfs/dbraw/zinc/12/84/54/346128454.db2.gz IOVKSZHXOHGGQG-UHFFFAOYSA-N 0 0 288.351 3.186 10 30 CGEERN Cc1cc(C)c(N[C@@H](C)C#N)c(Br)c1 ZINC000159797815 346168582 /nfs/dbraw/zinc/16/85/82/346168582.db2.gz XEAOYPJENKWOBL-VIFPVBQESA-N 0 0 253.143 3.390 10 30 CGEERN C=C(Cl)CNc1cc(C)c(Br)cn1 ZINC000162934758 346180012 /nfs/dbraw/zinc/18/00/12/346180012.db2.gz OGIVOFPDFSAMCA-UHFFFAOYSA-N 0 0 261.550 3.317 10 30 CGEERN Cc1ccc([C@@H]2CC(=O)C=CO2)cc1Br ZINC000164823783 346183160 /nfs/dbraw/zinc/18/31/60/346183160.db2.gz CFWHUVCSMHLEGQ-LBPRGKRZSA-N 0 0 267.122 3.302 10 30 CGEERN O=C(c1ccc(Br)s1)C1=CCCCO1 ZINC000167509787 346189198 /nfs/dbraw/zinc/18/91/98/346189198.db2.gz YQMACCLVGDFWPW-UHFFFAOYSA-N 0 0 273.151 3.388 10 30 CGEERN COC(=O)CC1=CC(=O)C[C@H](c2ccc(Cl)cc2)C1 ZINC000196105204 346275184 /nfs/dbraw/zinc/27/51/84/346275184.db2.gz OWQTWMZKIBVJGR-GFCCVEGCSA-N 0 0 278.735 3.276 10 30 CGEERN C=C(Br)[C@@H]1OC2(CCCC2)OC1(C)C ZINC000205248520 346282730 /nfs/dbraw/zinc/28/27/30/346282730.db2.gz VOIIVHMOBJHUID-VIFPVBQESA-N 0 0 261.159 3.359 10 30 CGEERN C#Cc1nn(C(=O)OC(C)(C)C)c2ccc(C)cc12 ZINC000222915087 346299831 /nfs/dbraw/zinc/29/98/31/346299831.db2.gz LHWYXAAISUOAAQ-UHFFFAOYSA-N 0 0 256.305 3.109 10 30 CGEERN CC(C)CCn1cc(C#N)c(=O)c2cc(F)c(F)cc21 ZINC000085346140 179029074 /nfs/dbraw/zinc/02/90/74/179029074.db2.gz ITWKEVCKAJCRCY-UHFFFAOYSA-N 0 0 276.286 3.197 10 30 CGEERN CCN[C@H](C#N)c1ccc(Br)c(Cl)c1 ZINC000233578798 346330056 /nfs/dbraw/zinc/33/00/56/346330056.db2.gz ZWPQCHUNGJBAIB-SNVBAGLBSA-N 0 0 273.561 3.277 10 30 CGEERN CO[C@H](C#N)c1cc(Br)ccc1Cl ZINC000234766945 346332435 /nfs/dbraw/zinc/33/24/35/346332435.db2.gz SFSTUGBGDANILR-SECBINFHSA-N 0 0 260.518 3.314 10 30 CGEERN C=C[C@@H](C)Nc1cc(Br)nc(C(C)C)n1 ZINC000229319286 346317029 /nfs/dbraw/zinc/31/70/29/346317029.db2.gz NOQGVJQMIXQKGT-MRVPVSSYSA-N 0 0 270.174 3.349 10 30 CGEERN Cc1c(Br)cccc1NC(=O)[C@H](C)S ZINC000232254060 346325242 /nfs/dbraw/zinc/32/52/42/346325242.db2.gz FMHRFCGSTDDVCF-ZETCQYMHSA-N 0 0 274.183 3.014 10 30 CGEERN N#Cc1ccc2ccc(I)cc2c1 ZINC000238530894 346349397 /nfs/dbraw/zinc/34/93/97/346349397.db2.gz ZXAFLUODRHJRGX-UHFFFAOYSA-N 0 0 279.080 3.316 10 30 CGEERN N#Cc1cc(Br)c(F)c(C(F)(F)F)c1 ZINC000238553095 346349850 /nfs/dbraw/zinc/34/98/50/346349850.db2.gz PHKZCJYEEBKWKW-UHFFFAOYSA-N 0 0 268.007 3.479 10 30 CGEERN N#Cc1cc(I)cc2ccccc12 ZINC000238589505 346350061 /nfs/dbraw/zinc/35/00/61/346350061.db2.gz GQCDDPVGVWVCPP-UHFFFAOYSA-N 0 0 279.080 3.316 10 30 CGEERN CC(=O)Nc1ccc(N=Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000254756647 346395665 /nfs/dbraw/zinc/39/56/65/346395665.db2.gz YLFCZBAYLNPBBI-UHFFFAOYSA-N 0 0 283.287 3.304 10 30 CGEERN CC#C[C@@H](O)c1ccc(Br)cc1Cl ZINC000306296032 346453520 /nfs/dbraw/zinc/45/35/20/346453520.db2.gz WSEMAMOFNSACAN-SNVBAGLBSA-N 0 0 259.530 3.159 10 30 CGEERN CC[C@H](S)C(=O)N(Cc1ccccc1)C(C)C ZINC000307254078 346461026 /nfs/dbraw/zinc/46/10/26/346461026.db2.gz WUAYUGLEQDWWJA-ZDUSSCGKSA-N 0 0 251.395 3.132 10 30 CGEERN C=C(C)C[C@]1(C(=O)[O-])CCC[N@H+](Cc2ccccc2)C1 ZINC000309886510 346470190 /nfs/dbraw/zinc/47/01/90/346470190.db2.gz ZMVNABLFCUSZJX-QGZVFWFLSA-N 0 0 273.376 3.320 10 30 CGEERN O=C(C1=CCCC1)c1nscc1Br ZINC000404770384 346600795 /nfs/dbraw/zinc/60/07/95/346600795.db2.gz PLUWRUUTMSGCPL-UHFFFAOYSA-N 0 0 258.140 3.199 10 30 CGEERN CNC(=O)c1ccc(N[C@]2(C#N)CCC[C@@H](C)C2)cc1F ZINC000584655560 346705167 /nfs/dbraw/zinc/70/51/67/346705167.db2.gz IEPBQSDCNSDNGG-BDJLRTHQSA-N 0 0 289.354 3.070 10 30 CGEERN C=C(Cl)COC(=O)CCCCC(=O)OCC(=C)Cl ZINC000584591459 346685460 /nfs/dbraw/zinc/68/54/60/346685460.db2.gz DQUIOZNPISPLGJ-UHFFFAOYSA-N 0 0 295.162 3.138 10 30 CGEERN C=CC[C@](Cc1ccc(F)cc1)(C(C)=O)C(=O)OCC ZINC000584596937 346687533 /nfs/dbraw/zinc/68/75/33/346687533.db2.gz UJSTWALXKYBJRC-INIZCTEOSA-N 0 0 278.323 3.083 10 30 CGEERN CCC[C@](C#N)(c1cccc(OC)c1)[C@H](C)C(=O)OCC ZINC000584596941 346687595 /nfs/dbraw/zinc/68/75/95/346687595.db2.gz UMZORKNUMXQUOD-CXAGYDPISA-N 0 0 289.375 3.456 10 30 CGEERN CCC[C@@](C#N)(c1ccccc1)[C@@H](C)C(=O)OCC ZINC000584596631 346687609 /nfs/dbraw/zinc/68/76/09/346687609.db2.gz CJVCKYHIBOYLFX-BBRMVZONSA-N 0 0 259.349 3.447 10 30 CGEERN N#Cc1ccc(Oc2c[nH]nc2-c2ccccc2O)cc1 ZINC000584599126 346689035 /nfs/dbraw/zinc/68/90/35/346689035.db2.gz NVGRXKSZXWVGHD-UHFFFAOYSA-N 0 0 277.283 3.446 10 30 CGEERN N#Cc1ccc(Oc2c[nH]nc2-c2cccc(O)c2)cc1 ZINC000584598953 346689182 /nfs/dbraw/zinc/68/91/82/346689182.db2.gz CRUHORMPALHGEL-UHFFFAOYSA-N 0 0 277.283 3.446 10 30 CGEERN C=CCO[C@H](O)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000584603786 346690589 /nfs/dbraw/zinc/69/05/89/346690589.db2.gz MWBMTEXEDNYDSA-KRWDZBQOSA-N 0 0 268.312 3.057 10 30 CGEERN N#C[C@H](c1cscn1)[C@H](CCO)c1cc(F)ccc1F ZINC000584637030 346700720 /nfs/dbraw/zinc/70/07/20/346700720.db2.gz KUXVWMMLEPWTNB-PWSUYJOCSA-N 0 0 294.326 3.195 10 30 CGEERN CCN(C[C@@H](C)C#N)c1ccc([C@H](C)O)cc1Cl ZINC000103922345 185861122 /nfs/dbraw/zinc/86/11/22/185861122.db2.gz AFERSRDSLUNUBI-QWRGUYRKSA-N 0 0 266.772 3.379 10 30 CGEERN N#Cc1cc(Br)c(Cl)nc1-c1ccncc1 ZINC000616575782 348834429 /nfs/dbraw/zinc/83/44/29/348834429.db2.gz HGAFOSHKUUZHMX-UHFFFAOYSA-N 0 0 294.539 3.431 10 30 CGEERN COC(=O)N1CCc2ccccc2[C@@H]1c1ccc(C#N)cc1 ZINC000616586730 348836793 /nfs/dbraw/zinc/83/67/93/348836793.db2.gz HEFJIFPMTOABFZ-KRWDZBQOSA-N 0 0 292.338 3.272 10 30 CGEERN C[C@H](Nc1ccc(C#N)cc1Br)[C@H]1CCCO1 ZINC000123948231 187116085 /nfs/dbraw/zinc/11/60/85/187116085.db2.gz PUXUYWLFBFKZLE-TVQRCGJNSA-N 0 0 295.180 3.300 10 30 CGEERN Cc1cnn([C@@H]2CCCN(Cc3ccc(F)cc3C#N)C2)c1 ZINC000105901880 138353127 /nfs/dbraw/zinc/35/31/27/138353127.db2.gz DRWRIFSZHWDXPR-QGZVFWFLSA-N 0 0 298.365 3.039 10 30 CGEERN N#Cc1ccc(Oc2cccc(Cl)c2C#N)nc1 ZINC000301428426 201004916 /nfs/dbraw/zinc/00/49/16/201004916.db2.gz HTYQEUKZYORERW-UHFFFAOYSA-N 0 0 255.664 3.271 10 30 CGEERN CO[C@H]1CCC[C@@H](Nc2c(C#N)cnc3ccccc32)C1 ZINC000301757978 201180466 /nfs/dbraw/zinc/18/04/66/201180466.db2.gz FANIUMXPRURKHY-KGLIPLIRSA-N 0 0 281.359 3.476 10 30 CGEERN CCOC(=O)c1ccc(/N=C\c2ccc(C#N)cc2)cc1 ZINC000000493625 368378977 /nfs/dbraw/zinc/37/89/77/368378977.db2.gz XQRRVYPOVBOYIW-UNOMPAQXSA-N 0 0 278.311 3.486 10 30 CGEERN C=CCc1ccc(O)c(-c2cc(C=O)ccc2[O-])c1 ZINC000014585161 368681629 /nfs/dbraw/zinc/68/16/29/368681629.db2.gz KDWYPRNOEMXUNA-UHFFFAOYSA-N 0 0 254.285 3.306 10 30 biogenic,in-vitro CGEERN C=CCCO[C@@H](C)C(=O)NC1CCC(CC)CC1 ZINC000125240501 370934059 /nfs/dbraw/zinc/93/40/59/370934059.db2.gz VLAZFMMVXCWIDX-HSBZDZAISA-N 0 0 253.386 3.053 10 30 CGEERN CN(C)/C=C1\C(=O)c2ccccc2O[C@@H]1c1ccccc1 ZINC000026017168 368854934 /nfs/dbraw/zinc/85/49/34/368854934.db2.gz HDQCRRRATSBPDK-NKAIQICCSA-N 0 0 279.339 3.449 10 30 CGEERN CCCN(CCC)c1c(F)c(C#N)c(F)c(F)c1C#N ZINC000033855491 368969666 /nfs/dbraw/zinc/96/96/66/368969666.db2.gz MOQOSQYVIZYXMK-UHFFFAOYSA-N 0 0 281.281 3.474 10 30 CGEERN CCOc1ccc(C(=O)C#Cc2ccccc2)cc1 ZINC000038313910 369146931 /nfs/dbraw/zinc/14/69/31/369146931.db2.gz ONRJWEORWROIJE-UHFFFAOYSA-N 0 0 250.297 3.320 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NCc1cc(F)ccc1Br ZINC000054825900 369507486 /nfs/dbraw/zinc/50/74/86/369507486.db2.gz PDWONLPSMMCNDY-ZANVPECISA-N 0 0 297.171 3.370 10 30 CGEERN N#C[C@H]1CCC[C@H]1NCc1cccc(Br)c1 ZINC000054826337 369507728 /nfs/dbraw/zinc/50/77/28/369507728.db2.gz VQOMSSUGFNVQFN-DGCLKSJQSA-N 0 0 279.181 3.231 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NCc1cccc(Br)c1 ZINC000054826338 369508023 /nfs/dbraw/zinc/50/80/23/369508023.db2.gz VQOMSSUGFNVQFN-YPMHNXCESA-N 0 0 279.181 3.231 10 30 CGEERN Cc1nnc(NCCCCC(F)(F)F)c(C#N)c1C ZINC000128956641 370966835 /nfs/dbraw/zinc/96/68/35/370966835.db2.gz UAHCNSASNMCMHW-UHFFFAOYSA-N 0 0 272.274 3.110 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NCc1ccc(C(F)(F)F)cc1 ZINC000061626784 369604522 /nfs/dbraw/zinc/60/45/22/369604522.db2.gz GAVXMSFENQKSKF-YPMHNXCESA-N 0 0 268.282 3.487 10 30 CGEERN CCCn1c2ccccc2nc1CN[C@H]1CCC[C@@H]1C#N ZINC000061892707 369610773 /nfs/dbraw/zinc/61/07/73/369610773.db2.gz UOLWAXLOARUULA-KGLIPLIRSA-N 0 0 282.391 3.228 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)Nc1ccc(Cl)cc1 ZINC000061889307 369610784 /nfs/dbraw/zinc/61/07/84/369610784.db2.gz MGYDKGHFGQGSEU-BXKDBHETSA-N 0 0 263.728 3.154 10 30 CGEERN COc1ccc(/N=C\c2cccc([N+](=O)[O-])c2)cc1 ZINC000100480194 370280043 /nfs/dbraw/zinc/28/00/43/370280043.db2.gz IMXJIBCYHQNBOP-GDNBJRDFSA-N 0 0 256.261 3.354 10 30 CGEERN C=CC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000116942574 370576429 /nfs/dbraw/zinc/57/64/29/370576429.db2.gz LGKVKMPNXOGSNX-NEPJUHHUSA-N 0 0 292.379 3.029 10 30 CGEERN COC(=O)C(C)(C)Cc1ccc(C#C[Si](C)(C)C)nc1 ZINC000219625607 376202090 /nfs/dbraw/zinc/20/20/90/376202090.db2.gz LHNLPNSHIOTXQT-UHFFFAOYSA-N 0 0 289.451 3.052 10 30 CGEERN CCCCCCCN1CCO[C@H](c2nccs2)C1 ZINC000157753833 372035624 /nfs/dbraw/zinc/03/56/24/372035624.db2.gz YCWNIORNKDZKPO-ZDUSSCGKSA-N 0 0 268.426 3.487 10 30 CGEERN C[C@H](NCc1ccccc1C#N)c1ccc2c(c1)OCCO2 ZINC000176486841 373602935 /nfs/dbraw/zinc/60/29/35/373602935.db2.gz XCVFYPOZBMDQKU-ZDUSSCGKSA-N 0 0 294.354 3.180 10 30 CGEERN N#Cc1cccc(N2CCC[C@H](COc3ccccc3)C2)n1 ZINC000301278664 373727434 /nfs/dbraw/zinc/72/74/34/373727434.db2.gz NCKSUSOHYSDHSD-HNNXBMFYSA-N 0 0 293.370 3.249 10 30 CGEERN N#Cc1ccc(N2CC=C(c3cccs3)CC2)nc1 ZINC000301287054 373730525 /nfs/dbraw/zinc/73/05/25/373730525.db2.gz NFAXZKIDLYHPEG-UHFFFAOYSA-N 0 0 267.357 3.308 10 30 CGEERN Cc1ccc(C#N)c(N(C)Cc2ccc(C)c(F)c2)n1 ZINC000302721425 373940798 /nfs/dbraw/zinc/94/07/98/373940798.db2.gz MCITYYHXZUMIBA-UHFFFAOYSA-N 0 0 269.323 3.346 10 30 CGEERN O=C(Nc1cccc2ccsc21)N1CC[C@@H](CCO)C1 ZINC000328781966 374381925 /nfs/dbraw/zinc/38/19/25/374381925.db2.gz JOECLIRYGMQJHM-NSHDSACASA-N 0 0 290.388 3.151 10 30 CGEERN O=C(C[C@@H]1CCCCNC1=O)NCC[C@@H]1CCCCO1 ZINC000329372605 374407276 /nfs/dbraw/zinc/40/72/76/374407276.db2.gz JLWGVPWKCAXERM-STQMWFEESA-N 0 0 282.384 3.049 10 30 CGEERN COC(=O)C[C@@H]1CCC(=O)C=C1c1ccc(Cl)cc1 ZINC000196226979 376119878 /nfs/dbraw/zinc/11/98/78/376119878.db2.gz WLSCAXVFPAYLJW-NSHDSACASA-N 0 0 278.735 3.266 10 30 CGEERN CS[C@@H]1CC[C@H](Nc2cc(C)nc(C)c2C#N)C1 ZINC000227593970 376401572 /nfs/dbraw/zinc/40/15/72/376401572.db2.gz SLRVRJPIPOXALH-NWDGAFQWSA-N 0 0 261.394 3.266 10 30 CGEERN Cc1ccc(Oc2nnc(C)c(C)c2C#N)cc1F ZINC000226418077 376358314 /nfs/dbraw/zinc/35/83/14/376358314.db2.gz TUKYWYSLXGOBDZ-UHFFFAOYSA-N 0 0 257.268 3.205 10 30 CGEERN C[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(C#N)n2)[C@@H]1C ZINC000235364157 376639889 /nfs/dbraw/zinc/63/98/89/376639889.db2.gz CUFIRMBDELZZEK-MXWKQRLJSA-N 0 0 274.324 3.098 10 30 CGEERN C=C[C@H](CC(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21)c1ccccc1 ZINC000248128959 377269145 /nfs/dbraw/zinc/26/91/45/377269145.db2.gz WCRGOVYYPNXVHW-BZZMCLGOSA-N 0 0 299.414 3.420 10 30 CGEERN CCOC(=O)c1c(C#N)cc(C(F)(F)F)cc1CC ZINC000575389320 377897767 /nfs/dbraw/zinc/89/77/67/377897767.db2.gz GKUPPKYMDRKMQI-UHFFFAOYSA-N 0 0 271.238 3.316 10 30 CGEERN COC(=O)c1cc(OC(F)(F)F)cc(C(F)F)c1C#N ZINC000575344017 377883738 /nfs/dbraw/zinc/88/37/38/377883738.db2.gz MMGKGTZPKJHPLN-UHFFFAOYSA-N 0 0 295.163 3.181 10 30 CGEERN COC(=O)c1cc(C(F)F)cc(C#N)c1OC(F)(F)F ZINC000575343708 377883942 /nfs/dbraw/zinc/88/39/42/377883942.db2.gz CKWOSWDKQGZLHA-UHFFFAOYSA-N 0 0 295.163 3.181 10 30 CGEERN CCOC(=O)c1cc(C(F)(F)F)cc(CC)c1C#N ZINC000575390130 377898914 /nfs/dbraw/zinc/89/89/14/377898914.db2.gz VUFXPGLRLXWBCO-UHFFFAOYSA-N 0 0 271.238 3.316 10 30 CGEERN COC(=O)c1c(C#N)c(Cl)ccc1C(F)(F)F ZINC000575383273 377893810 /nfs/dbraw/zinc/89/38/10/377893810.db2.gz MQXPQTYJBKIZGH-UHFFFAOYSA-N 0 0 263.602 3.017 10 30 CGEERN CCOC(=O)c1cc(C#N)cc(C(F)(F)F)c1Cl ZINC000575383470 377893828 /nfs/dbraw/zinc/89/38/28/377893828.db2.gz XBCCUYSXXFZSLW-UHFFFAOYSA-N 0 0 277.629 3.407 10 30 CGEERN CCOC(=O)c1c(OC(F)F)ccc(C(F)F)c1C#N ZINC000575385213 377894928 /nfs/dbraw/zinc/89/49/28/377894928.db2.gz CXCIDBVSLIIPOD-UHFFFAOYSA-N 0 0 291.200 3.274 10 30 CGEERN COC(=O)c1c(OC(F)(F)F)ccc(C#N)c1C(F)F ZINC000575387953 377896057 /nfs/dbraw/zinc/89/60/57/377896057.db2.gz ZYTAVBHNDZGJMB-UHFFFAOYSA-N 0 0 295.163 3.181 10 30 CGEERN COC(=O)Cc1cc(C#N)c(C(F)F)cc1C(F)(F)F ZINC000575387497 377896173 /nfs/dbraw/zinc/89/61/73/377896173.db2.gz PEIHYZQUIUQFOT-UHFFFAOYSA-N 0 0 293.191 3.230 10 30 CGEERN CCOC(=O)c1c(C#N)ccc(CC)c1C(F)(F)F ZINC000575389565 377897397 /nfs/dbraw/zinc/89/73/97/377897397.db2.gz JGZPBIVAGBMMOV-UHFFFAOYSA-N 0 0 271.238 3.316 10 30 CGEERN COc1cc(OC(F)F)cc(CC#N)c1C(F)F ZINC000575651902 377929485 /nfs/dbraw/zinc/92/94/85/377929485.db2.gz GKEFZUVQNKYWRW-UHFFFAOYSA-N 0 0 263.190 3.300 10 30 CGEERN N#CCc1cc(OC(F)F)cc(C(F)F)c1[N+](=O)[O-] ZINC000575652465 377929488 /nfs/dbraw/zinc/92/94/88/377929488.db2.gz GRAYZCGAXJWINX-UHFFFAOYSA-N 0 0 278.161 3.200 10 30 CGEERN CCOc1cc(C#N)c(Br)c(OCC)c1 ZINC000575681464 377955829 /nfs/dbraw/zinc/95/58/29/377955829.db2.gz WONQVSUSXZOZCI-UHFFFAOYSA-N 0 0 270.126 3.118 10 30 CGEERN COc1c(OC(F)F)cc(CC#N)cc1C(F)F ZINC000575652835 377930543 /nfs/dbraw/zinc/93/05/43/377930543.db2.gz WGLAJMHULWNVPY-UHFFFAOYSA-N 0 0 263.190 3.300 10 30 CGEERN CCOc1c(OC(F)F)ccc(CC)c1CC#N ZINC000575654745 377931797 /nfs/dbraw/zinc/93/17/97/377931797.db2.gz FEMIKAVEYCPNMC-UHFFFAOYSA-N 0 0 255.264 3.315 10 30 CGEERN CCOc1cc(OC(F)F)c(CC)cc1CC#N ZINC000575654597 377931951 /nfs/dbraw/zinc/93/19/51/377931951.db2.gz BVPAYFROIFFUTQ-UHFFFAOYSA-N 0 0 255.264 3.315 10 30 CGEERN N#Cc1cc(Br)cc(F)c1OC(F)F ZINC000575681140 377956152 /nfs/dbraw/zinc/95/61/52/377956152.db2.gz YTCUBZOSDHZVRA-UHFFFAOYSA-N 0 0 266.016 3.061 10 30 CGEERN Cc1cc(OC(F)(F)F)cc(C#N)c1OC(F)F ZINC000575664199 377939819 /nfs/dbraw/zinc/93/98/19/377939819.db2.gz CMOWQRZAUWAQEW-UHFFFAOYSA-N 0 0 267.153 3.367 10 30 CGEERN Cc1cc(OC(F)F)c(C#N)cc1OC(F)(F)F ZINC000575665579 377942294 /nfs/dbraw/zinc/94/22/94/377942294.db2.gz RBYHCJZADVGLLA-UHFFFAOYSA-N 0 0 267.153 3.367 10 30 CGEERN N#Cc1ccc(OC(F)F)c(F)c1Br ZINC000575679988 377953382 /nfs/dbraw/zinc/95/33/82/377953382.db2.gz HOIIRFOSOXTPPM-UHFFFAOYSA-N 0 0 266.016 3.061 10 30 CGEERN COC(=O)c1c(C)ccc(SC(F)(F)F)c1C#N ZINC000575395303 377902130 /nfs/dbraw/zinc/90/21/30/377902130.db2.gz XGWKRJRYURYRSC-UHFFFAOYSA-N 0 0 275.251 3.265 10 30 CGEERN COC(=O)c1ccc(C#N)c(SC(F)(F)F)c1C ZINC000575394715 377902194 /nfs/dbraw/zinc/90/21/94/377902194.db2.gz MJALVTNICHBWRP-UHFFFAOYSA-N 0 0 275.251 3.265 10 30 CGEERN COC(=O)Cc1c(C)ccc(SC(F)(F)F)c1C#N ZINC000575395760 377903400 /nfs/dbraw/zinc/90/34/00/377903400.db2.gz PMQKKVZDLKVMND-UHFFFAOYSA-N 0 0 289.278 3.194 10 30 CGEERN Nc1c(F)c(OC(F)(F)F)ccc1C(F)(F)F ZINC000575397380 377904772 /nfs/dbraw/zinc/90/47/72/377904772.db2.gz SOLYZUGEQYQIFL-UHFFFAOYSA-N 0 0 263.112 3.325 10 30 CGEERN CCOc1cc(C#N)c(OCC)cc1Br ZINC000575680675 377954719 /nfs/dbraw/zinc/95/47/19/377954719.db2.gz HKFSNUQFZAPQEO-UHFFFAOYSA-N 0 0 270.126 3.118 10 30 CGEERN N#CCc1cc(C(F)F)c(Br)cc1[N+](=O)[O-] ZINC000575684195 377959151 /nfs/dbraw/zinc/95/91/51/377959151.db2.gz CWQFLNHSSSASMG-UHFFFAOYSA-N 0 0 291.051 3.361 10 30 CGEERN N#Cc1cc(Br)c(F)c(OC(F)(F)F)c1 ZINC000575686636 377962103 /nfs/dbraw/zinc/96/21/03/377962103.db2.gz HPPQTAHTPZXKCS-UHFFFAOYSA-N 0 0 284.006 3.358 10 30 CGEERN N#CCc1c(Br)ccc(C(F)F)c1[N+](=O)[O-] ZINC000575688074 377963376 /nfs/dbraw/zinc/96/33/76/377963376.db2.gz XPKZCLFRYLRIKB-UHFFFAOYSA-N 0 0 291.051 3.361 10 30 CGEERN CCOc1cc(C(F)(F)F)c(CC#N)cc1OC ZINC000575698177 377970256 /nfs/dbraw/zinc/97/02/56/377970256.db2.gz FLSDQHIQMACVMJ-UHFFFAOYSA-N 0 0 259.227 3.179 10 30 CGEERN CCc1c(C=O)c(CC#N)ccc1OC(F)(F)F ZINC000575703765 377976930 /nfs/dbraw/zinc/97/69/30/377976930.db2.gz ZWFCJHDGBOADJY-UHFFFAOYSA-N 0 0 257.211 3.026 10 30 CGEERN C=CCc1cc(OC(F)(F)F)ccc1NC(=O)C=C ZINC000584627452 378395044 /nfs/dbraw/zinc/39/50/44/378395044.db2.gz WJHYQWVBNJPVMK-UHFFFAOYSA-N 0 0 271.238 3.438 10 30 CGEERN N#C[C@H]1CCC[C@H]1NCc1c(F)cccc1Br ZINC000347697298 378725532 /nfs/dbraw/zinc/72/55/32/378725532.db2.gz COABHIRUEWFDRJ-NOZJJQNGSA-N 0 0 297.171 3.370 10 30 CGEERN O=C(N[C@@H]1CCCC[C@H]1CO)c1coc(C2CCCC2)n1 ZINC000329900827 542449554 /nfs/dbraw/zinc/44/95/54/542449554.db2.gz GJIMQUAXZINAFQ-QWHCGFSZSA-N 0 0 292.379 3.188 10 30 CGEERN C[C@H](CCC1CC1)NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000329893669 542449635 /nfs/dbraw/zinc/44/96/35/542449635.db2.gz JQUHTANSEKJXMP-UKPHBRMFSA-N 0 0 294.439 3.106 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)C(C1CCC1)C1CCC1 ZINC000332687228 542450597 /nfs/dbraw/zinc/45/05/97/542450597.db2.gz OJNXJSHUIPGPAO-KGLIPLIRSA-N 0 0 260.381 3.011 10 30 CGEERN C=CCNc1ccccc1C(=O)N[C@@H](C)Cc1ccncc1 ZINC000065383551 392146957 /nfs/dbraw/zinc/14/69/57/392146957.db2.gz QMCHRYABMYSPPC-AWEZNQCLSA-N 0 0 295.386 3.041 10 30 CGEERN Cc1ccc(S(=O)(=O)O[C@@H]2CCC[C@H](C)C2)cc1 ZINC000001640353 169731377 /nfs/dbraw/zinc/73/13/77/169731377.db2.gz DRDLAHAGJXECGB-QWHCGFSZSA-N 0 0 268.378 3.279 10 30 CGEERN C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000117649771 392391609 /nfs/dbraw/zinc/39/16/09/392391609.db2.gz VIDSZVZEHCFPID-QFYYESIMSA-N 0 0 296.301 3.201 10 30 CGEERN COc1cc(C#N)ccc1CN1CCCC[C@H]1c1cn[nH]c1 ZINC000121417154 392412380 /nfs/dbraw/zinc/41/23/80/392412380.db2.gz OYIQXUWTZXPWRB-INIZCTEOSA-N 0 0 296.374 3.017 10 30 CGEERN Cc1ccc([C@@H]2CN(Cc3ccccc3C#N)CCO2)o1 ZINC000158690424 392574420 /nfs/dbraw/zinc/57/44/20/392574420.db2.gz ATTJTHYZJDUYLB-KRWDZBQOSA-N 0 0 282.343 3.033 10 30 CGEERN CC(C)[C@H]1OCC[C@@H]1CNC(=O)C[C@@H]1CCCCNC1=O ZINC000329497934 392684136 /nfs/dbraw/zinc/68/41/36/392684136.db2.gz JOCMUAJHHZIWFX-GZBFAFLISA-N 0 0 296.411 3.151 10 30 CGEERN Cn1cc(NC(=O)N2C[C@H]3CCC[C@H]32)c(-c2ccccc2)n1 ZINC000329549714 392687437 /nfs/dbraw/zinc/68/74/37/392687437.db2.gz PBUJDLRORGGKJN-UKRRQHHQSA-N 0 0 296.374 3.117 10 30 CGEERN C[C@H]1CC(CNc2c(F)cc(C#N)cc2F)C[C@H](C)O1 ZINC000281911948 393369268 /nfs/dbraw/zinc/36/92/68/393369268.db2.gz QHHAXYLABDONSD-UWVGGRQHSA-N 0 0 280.318 3.452 10 30 CGEERN Cc1ccc(C#N)cc1NC(=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000117634843 292045381 /nfs/dbraw/zinc/04/53/81/292045381.db2.gz OTZCSSMRCWLGFP-PXAZEXFGSA-N 0 0 292.338 3.370 10 30 CGEERN CC(=O)ON(C(C)=O)c1ccc(-c2ccccc2)cc1 ZINC000005159930 170072255 /nfs/dbraw/zinc/07/22/55/170072255.db2.gz UJDATCBZIHYYMW-UHFFFAOYSA-N 0 0 269.300 3.185 10 30 CGEERN Oc1ccccc1/C=N/c1ccc2c(c1)OC(F)(F)O2 ZINC000005334944 170087143 /nfs/dbraw/zinc/08/71/43/170087143.db2.gz JLNUIXHALLRQRD-CAOOACKPSA-N 0 0 277.226 3.464 10 30 CGEERN O/N=C(/Cn1ccnc1)c1ccc(Cl)cc1Cl ZINC000005973975 170164204 /nfs/dbraw/zinc/16/42/04/170164204.db2.gz WDFDJSRQMAZXEJ-PTNGSMBKSA-N 0 0 270.119 3.068 10 30 CGEERN Cc1cccc(C(=O)Nc2ccccc2C#N)c1[N+](=O)[O-] ZINC000006524675 170210015 /nfs/dbraw/zinc/21/00/15/170210015.db2.gz WNCREZFTBLANHE-UHFFFAOYSA-N 0 0 281.271 3.027 10 30 CGEERN CC(C)c1nc(C#N)c(N=NCc2ccc([N+](=O)[O-])cc2)o1 ZINC000006633890 170220442 /nfs/dbraw/zinc/22/04/42/170220442.db2.gz MZHRFOLMIRGASB-LZYBPNLTSA-N 0 0 299.290 3.024 10 30 CGEERN COc1ccc(C(C)=O)cc1COc1cccc(C#N)c1 ZINC000006905804 170254292 /nfs/dbraw/zinc/25/42/92/170254292.db2.gz KFZHFJCFQRONHB-UHFFFAOYSA-N 0 0 281.311 3.348 10 30 CGEERN Cc1cc(C)c(O[C@@H](C)C#N)c(Br)c1 ZINC000011944548 170459993 /nfs/dbraw/zinc/45/99/93/170459993.db2.gz BACOZZPDVFZBOF-VIFPVBQESA-N 0 0 254.127 3.357 10 30 CGEERN CC[C@@H]1CCCC[C@H]1Oc1ccc(/C(N)=N/O)cc1 ZINC000019866180 170899756 /nfs/dbraw/zinc/89/97/56/170899756.db2.gz GYCXOBNZOMIBFS-BXUZGUMPSA-N 0 0 262.353 3.129 10 30 CGEERN C=CCNC(=O)[C@H](C)Nc1cc(Cl)cc(Cl)c1 ZINC000020313935 171145563 /nfs/dbraw/zinc/14/55/63/171145563.db2.gz NRGLXBGTILHQFF-QMMMGPOBSA-N 0 0 273.163 3.096 10 30 CGEERN CN[C@@](C)(C#N)C(c1ccccc1)c1ccccc1 ZINC000020378072 171171740 /nfs/dbraw/zinc/17/17/40/171171740.db2.gz VNFARCQBGWEBGP-KRWDZBQOSA-N 0 0 250.345 3.320 10 30 CGEERN Cc1cc(CNc2ccc(C#N)cc2)cc(C)c1O ZINC000020424246 171190845 /nfs/dbraw/zinc/19/08/45/171190845.db2.gz UDQRDZGQCJUJKB-UHFFFAOYSA-N 0 0 252.317 3.493 10 30 CGEERN O=S(=O)(/N=C(/Cl)c1ccccc1)c1ccc(F)cc1 ZINC000035141269 172008918 /nfs/dbraw/zinc/00/89/18/172008918.db2.gz IBJSJPPMCCTPQE-DTQAZKPQSA-N 0 0 297.738 3.200 10 30 CGEERN N#CC1(S(=O)(=O)c2ccccc2)CCCCCC1 ZINC000035676700 172347550 /nfs/dbraw/zinc/34/75/50/172347550.db2.gz HXVCBNSJSFYDFK-UHFFFAOYSA-N 0 0 263.362 3.077 10 30 CGEERN C[C@@H](Nc1cccnc1)c1ccc(OCC#N)cc1 ZINC000037187068 173017247 /nfs/dbraw/zinc/01/72/47/173017247.db2.gz SGHKVSAKDYJPFQ-GFCCVEGCSA-N 0 0 253.305 3.157 10 30 CGEERN COc1ccccc1C[C@@](C)(C#N)N1CCCCC1 ZINC000037735078 173654990 /nfs/dbraw/zinc/65/49/90/173654990.db2.gz KZLABUCEKYAXBX-INIZCTEOSA-N 0 0 258.365 3.006 10 30 CGEERN Cc1ccc(C(C)C)cc1OCCC/C(N)=N/O ZINC000038053049 174064715 /nfs/dbraw/zinc/06/47/15/174064715.db2.gz HAKOAIGQIZNSLZ-UHFFFAOYSA-N 0 0 250.342 3.024 10 30 CGEERN CC(=O)ON(/C=C\C(=O)C(C)(C)C)Cc1ccccc1 ZINC000038527020 174144175 /nfs/dbraw/zinc/14/41/75/174144175.db2.gz MHNWZOCABKXDKJ-KHPPLWFESA-N 0 0 275.348 3.096 10 30 CGEERN C=CCNc1ncnc(Nc2ccc(C)c(C)c2)c1[N+](=O)[O-] ZINC000040589918 174346475 /nfs/dbraw/zinc/34/64/75/174346475.db2.gz ICILLVQUMZHUAZ-UHFFFAOYSA-N 0 0 299.334 3.343 10 30 CGEERN C=CCNc1ncnc(Nc2ccccc2Cl)c1N ZINC000040708977 174379949 /nfs/dbraw/zinc/37/99/49/174379949.db2.gz VYDSPBWYDXEJHA-UHFFFAOYSA-N 0 0 275.743 3.054 10 30 CGEERN CCN(C[C@H](C)C#N)c1ccc(N)cc1C(F)(F)F ZINC000042448142 174742120 /nfs/dbraw/zinc/74/21/20/174742120.db2.gz XCOGRUSXNPLOIZ-SECBINFHSA-N 0 0 271.286 3.274 10 30 CGEERN Cc1nc(CC2CC2)oc1C(=O)N[C@H]1COc2ccccc21 ZINC000330035755 228023541 /nfs/dbraw/zinc/02/35/41/228023541.db2.gz XQURQIWYLVIVMB-ZDUSSCGKSA-N 0 0 298.342 3.374 10 30 CGEERN O=C(NCc1nnc(C2CC2)o1)[C@H]1CCc2ccccc21 ZINC000330305780 228121803 /nfs/dbraw/zinc/12/18/03/228121803.db2.gz QYWZRZABFNBVAO-ZDUSSCGKSA-N 0 0 283.331 3.134 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)Nc1cccc2c1CCCC2 ZINC000408165434 260432142 /nfs/dbraw/zinc/43/21/42/260432142.db2.gz MHOFVAOIXWLRIR-HIFRSBDPSA-N 0 0 283.375 3.379 10 30 CGEERN Cc1csc2ncnc(N[C@@H]3CCC[C@H]3C#N)c12 ZINC000408472439 260889985 /nfs/dbraw/zinc/88/99/85/260889985.db2.gz VFDSRDWZXRJEHO-VHSXEESVSA-N 0 0 258.350 3.104 10 30 CGEERN CCC[C@@H]1C[C@@H]1Nc1ncc(Br)cc1C#N ZINC000390640645 262233650 /nfs/dbraw/zinc/23/36/50/262233650.db2.gz MVJIRRWMPINDCN-KCJUWKMLSA-N 0 0 280.169 3.316 10 30 CGEERN CCCCCCCCN1CCOC[C@H]1c1nc(C)no1 ZINC000160861657 262302416 /nfs/dbraw/zinc/30/24/16/262302416.db2.gz QFMYWMUGAYHWCB-AWEZNQCLSA-N 0 0 281.400 3.112 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NCc1cc(F)cc(Cl)c1 ZINC000160934044 262305144 /nfs/dbraw/zinc/30/51/44/262305144.db2.gz FIFFMLHYIUVZLA-GWCFXTLKSA-N 0 0 252.720 3.261 10 30 CGEERN Cc1cc(C)c2c(c1)OC/C(=C\c1cc(C#N)n(C)c1)C2=O ZINC000191276309 269911800 /nfs/dbraw/zinc/91/18/00/269911800.db2.gz XDJUQMJVWMMNLX-MKMNVTDBSA-N 0 0 292.338 3.172 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)CCSc1ccc(F)cc1 ZINC000340526169 263185274 /nfs/dbraw/zinc/18/52/74/263185274.db2.gz ZCDCRHXUJIDYIO-SMDDNHRTSA-N 0 0 292.379 3.116 10 30 CGEERN C#CCCCCC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000120019603 263280633 /nfs/dbraw/zinc/28/06/33/263280633.db2.gz ZALRNIOUTKXRDR-AWEZNQCLSA-N 0 0 297.320 3.470 10 30 CGEERN Cc1cncc(CNC(=O)C[C@H]2CCCCC(=O)N2)c1 ZINC000328673880 263837183 /nfs/dbraw/zinc/83/71/83/263837183.db2.gz POBLNKCCBJTSPX-CYBMUJFWSA-N 0 0 275.352 3.136 10 30 CGEERN C=C(C)CN1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161036785 264269231 /nfs/dbraw/zinc/26/92/31/264269231.db2.gz WTHPTTYOXHTFLK-ZIAGYGMSSA-N 0 0 285.309 3.389 10 30 CGEERN Cc1nc(C(=O)N2[C@H](C)C[C@H]3CCCC[C@H]32)ccc1C#N ZINC000246473439 287707567 /nfs/dbraw/zinc/70/75/67/287707567.db2.gz XQUSNRATFSLFDI-AXAPSJFSSA-N 0 0 283.375 3.055 10 30 CGEERN CCNc1nc2nc(N)c(C#N)c(-c3ccccc3)c2s1 ZINC000028632591 276271793 /nfs/dbraw/zinc/27/17/93/276271793.db2.gz MKNIFDDZDLBJFF-UHFFFAOYSA-N 0 0 295.371 3.244 10 30 CGEERN Cc1c(C)n(-c2ccccc2Br)c(N)c1C#N ZINC000036938922 278594490 /nfs/dbraw/zinc/59/44/90/278594490.db2.gz VIXHUFVWLCSUCP-UHFFFAOYSA-N 0 0 290.164 3.311 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)c1cc2cc(F)ccc2s1 ZINC000336081757 279489204 /nfs/dbraw/zinc/48/92/04/279489204.db2.gz ASFFIIDHBAPFEL-BXKDBHETSA-N 0 0 288.347 3.462 10 30 CGEERN N#Cc1cc([N+](=O)[O-])ccc1N1CC[C@H]2CCCC[C@@H]21 ZINC000111249476 279506855 /nfs/dbraw/zinc/50/68/55/279506855.db2.gz LTAAIINUXOSJBF-RISCZKNCSA-N 0 0 271.320 3.235 10 30 CGEERN C[C@H]1CC[C@@H](NC(=O)c2ccnc(C#N)c2)c2ccccc21 ZINC000193670378 279748470 /nfs/dbraw/zinc/74/84/70/279748470.db2.gz PUCRVUHUYRNNNX-YVEFUNNKSA-N 0 0 291.354 3.322 10 30 CGEERN Cc1cc(C#N)cc(N2CCc3sccc3[C@@H]2C)n1 ZINC000161020994 280314669 /nfs/dbraw/zinc/31/46/69/280314669.db2.gz SAPWQMAFWXZFOT-NSHDSACASA-N 0 0 269.373 3.447 10 30 CGEERN O=C(C#Cc1ccccc1)N1CCCC[C@H]1c1nccs1 ZINC000176217410 295411859 /nfs/dbraw/zinc/41/18/59/295411859.db2.gz LIXIATYNDZYNRH-HNNXBMFYSA-N 0 0 296.395 3.248 10 30 CGEERN C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000329307516 297570118 /nfs/dbraw/zinc/57/01/18/297570118.db2.gz YJBOKBIRDOVCSD-FMCLSXCISA-N 0 0 296.411 3.292 10 30 CGEERN O=C(N[C@@H]1CCCc2c(O)cccc21)[C@@H]1C[C@@]12CCOC2 ZINC000330086629 303510584 /nfs/dbraw/zinc/51/05/84/303510584.db2.gz SGALQAPOHCKXLM-JJRVBVJISA-N 0 0 287.359 3.153 10 30 CGEERN C=CC[C@H](CO)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000302449952 327721032 /nfs/dbraw/zinc/72/10/32/327721032.db2.gz SRKFWEHTDSQJDJ-SSDOTTSWSA-N 0 0 291.134 3.251 10 30 CGEERN N#Cc1cc(F)c(N2C[C@@H]3CCC[C@@H]32)cc1Br ZINC000569707844 322255125 /nfs/dbraw/zinc/25/51/25/322255125.db2.gz CKHFXSJZFYAIBA-UFBFGSQYSA-N 0 0 295.155 3.449 10 30 CGEERN Cc1c(Cl)cccc1C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000219678856 329171795 /nfs/dbraw/zinc/17/17/95/329171795.db2.gz LAMWTBNKUOJRBY-GXFFZTMASA-N 0 0 262.740 3.071 10 30 CGEERN C#CCCCCC(=O)N[C@H]1CCOc2c(C)cccc21 ZINC000190614665 329399944 /nfs/dbraw/zinc/39/99/44/329399944.db2.gz TZYUJUUHENREAS-HNNXBMFYSA-N 0 0 271.360 3.128 10 30 CGEERN COc1ccc(CN[C@H]2CCC[C@H]2C#N)cc1Cl ZINC000086586017 330370237 /nfs/dbraw/zinc/37/02/37/330370237.db2.gz KEMUIMKOMLRMCF-AAEUAGOBSA-N 0 0 264.756 3.130 10 30 CGEERN C=CCCO[C@@H](C)C(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000119545178 330377617 /nfs/dbraw/zinc/37/76/17/330377617.db2.gz PYEROTCQUMLATN-STQMWFEESA-N 0 0 279.355 3.293 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NCc1cccc(OC(F)(F)F)c1 ZINC000230686392 333320742 /nfs/dbraw/zinc/32/07/42/333320742.db2.gz VMVIHSPUXHLQMO-WCQYABFASA-N 0 0 284.281 3.367 10 30 CGEERN C[C@H](C#N)CNC(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000248433640 334301634 /nfs/dbraw/zinc/30/16/34/334301634.db2.gz DIWNBFQNIJKCMB-JMSVASOKSA-N 0 0 271.364 3.084 10 30 CGEERN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccnc(C#N)c1 ZINC000192559663 335278354 /nfs/dbraw/zinc/27/83/54/335278354.db2.gz GKFKSSMLRDLZRL-LLVKDONJSA-N 0 0 299.761 3.440 10 30 CGEERN C=C(Cl)CC(=O)C1(CNC(=O)OC(C)(C)C)CC1 ZINC000685958962 572881796 /nfs/dbraw/zinc/88/17/96/572881796.db2.gz GUWRBHSOJTZLMF-UHFFFAOYSA-N 0 0 273.760 3.003 10 30 CGEERN Cc1noc(C2CC2)c1NC(=O)N1CC[C@H]2CCC[C@@H]21 ZINC000330248200 534385614 /nfs/dbraw/zinc/38/56/14/534385614.db2.gz MCDXPOVHIGJLKG-PWSUYJOCSA-N 0 0 275.352 3.280 10 30 CGEERN C=CCOc1ccc(CNCc2nc3ccccc3[nH]2)cc1 ZINC000057353408 519036513 /nfs/dbraw/zinc/03/65/13/519036513.db2.gz WHORCJFNBUIQLL-UHFFFAOYSA-N 0 0 293.370 3.418 10 30 CGEERN C=CCC1(C(=O)N[C@H]2CCOc3ccccc32)CCC1 ZINC000190695598 534593718 /nfs/dbraw/zinc/59/37/18/534593718.db2.gz ZYMPZBWCTMGIMW-AWEZNQCLSA-N 0 0 271.360 3.373 10 30 CGEERN C=C[C@@](C)(CC)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000189880525 534612750 /nfs/dbraw/zinc/61/27/50/534612750.db2.gz PMFZIYBEYHPTFX-SJCJKPOMSA-N 0 0 289.375 3.237 10 30 CGEERN COc1ccccc1/C=N/NC(=S)Nc1ccc(C)cc1 ZINC000000493601 524325251 /nfs/dbraw/zinc/32/52/51/524325251.db2.gz LXZUFBOYVCDYGK-GZTJUZNOSA-N 0 0 299.399 3.324 10 30 CGEERN C[C@@H](N(C)c1cccc(Cl)c1/C(N)=N/O)C(C)(C)C ZINC000052905799 524985204 /nfs/dbraw/zinc/98/52/04/524985204.db2.gz WJPOFUHIKCEVJX-SECBINFHSA-N 0 0 283.803 3.305 10 30 CGEERN C[C@H](CC#N)N(C)c1ccccc1Br ZINC000049839626 526218623 /nfs/dbraw/zinc/21/86/23/526218623.db2.gz YYLWVGSSASNLMU-SECBINFHSA-N 0 0 253.143 3.187 10 30 CGEERN Cc1nnc(N[C@H](C)C2CCCCC2)c(C#N)c1C ZINC000052343229 526374557 /nfs/dbraw/zinc/37/45/57/526374557.db2.gz OCXDXCTWMJRUBN-GFCCVEGCSA-N 0 0 258.369 3.346 10 30 CGEERN N#C[C@@H](C(=O)Nc1ccccc1F)c1ccccc1 ZINC000061614130 526491583 /nfs/dbraw/zinc/49/15/83/526491583.db2.gz QYDLADKJTTUKSL-GFCCVEGCSA-N 0 0 254.264 3.072 10 30 CGEERN Cc1nc(C)c([C@@H](C)Nc2ccnc(C#N)c2)s1 ZINC000061811880 526746960 /nfs/dbraw/zinc/74/69/60/526746960.db2.gz RIOHHBKDOKHCBT-SECBINFHSA-N 0 0 258.350 3.200 10 30 CGEERN N/C(=N/O)c1cc(Cl)ccc1OC1CCCCC1 ZINC000052860776 526801545 /nfs/dbraw/zinc/80/15/45/526801545.db2.gz KWZQXYHTVJHTHW-UHFFFAOYSA-N 0 0 268.744 3.146 10 30 CGEERN O=C[C@@]1(c2cccc(Br)c2)C[C@H](F)C1 ZINC000725259031 567916961 /nfs/dbraw/zinc/91/69/61/567916961.db2.gz PGALUESIZQXXPC-PHIMTYICSA-N 0 0 257.102 3.018 10 30 CGEERN CCOc1ccc(O)c(/C=N\[C@@H]2COc3ccccc32)c1 ZINC000255307365 618185470 /nfs/dbraw/zinc/18/54/70/618185470.db2.gz JQRBQVGXHNYADQ-YQYFLZKSSA-N 0 0 283.327 3.344 10 30 CGEERN Oc1ccc2ccccc2c1/C=N\[C@H]1CCCn2ncnc21 ZINC000255479901 618581825 /nfs/dbraw/zinc/58/18/25/618581825.db2.gz WRYKURWKQAPLOJ-PACYTGELSA-N 0 0 292.342 3.091 10 30 CGEERN C#C[C@H](OC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1)C1CC1 ZINC000245547787 618716720 /nfs/dbraw/zinc/71/67/20/618716720.db2.gz FJMFTXJROMZZFN-KKUMJFAQSA-N 0 0 274.747 3.399 10 30 CGEERN C[C@H](Nc1ccc(C#N)cc1Cl)[C@H]1CCCO1 ZINC000062790885 618904150 /nfs/dbraw/zinc/90/41/50/618904150.db2.gz FTXIEYLPGCYKHK-TVQRCGJNSA-N 0 0 250.729 3.191 10 30 CGEERN Cn1nccc1/C=C\C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000096569067 620555865 /nfs/dbraw/zinc/55/58/65/620555865.db2.gz VUZGMGFIDQLXSU-IHWYPQMZSA-N 0 0 270.376 3.219 10 30 CGEERN C=CCOCCCC(=O)O[C@H]1C[C@H](OCC)C12CCCC2 ZINC000174406095 623390795 /nfs/dbraw/zinc/39/07/95/623390795.db2.gz LIXMWBHMBOELQM-GJZGRUSLSA-N 0 0 296.407 3.250 10 30 CGEERN C=CCOc1ccc(C(=O)O[C@H](C)C2CCOCC2)cc1 ZINC000151511557 623422856 /nfs/dbraw/zinc/42/28/56/623422856.db2.gz VOPCDHMENHWSSX-CYBMUJFWSA-N 0 0 290.359 3.223 10 30 CGEERN C=CCC[C@@H](C)OC(=O)[C@@H](NC(=O)CC(C)C)C(C)C ZINC000089317902 623705899 /nfs/dbraw/zinc/70/58/99/623705899.db2.gz OUNBHRGVOWLFOR-HIFRSBDPSA-N 0 0 283.412 3.071 10 30 CGEERN Cc1cc([N+](=O)[O-])ccc1C(=O)OCc1ccc(C#N)cc1 ZINC000101706976 634240733 /nfs/dbraw/zinc/24/07/33/634240733.db2.gz KHOHEPSUODRQRW-UHFFFAOYSA-N 0 0 296.282 3.132 10 30 CGEERN CCCCCCCCNC(=O)[C@@H]1CCc2nc(C)[nH]c2C1 ZINC000220606815 637682593 /nfs/dbraw/zinc/68/25/93/637682593.db2.gz QSBCBMVHUYSBTK-CQSZACIVSA-N 0 0 291.439 3.300 10 30 CGEERN CCOc1ccccc1[C@H](C)OC(=O)c1cc(C#N)cn1C ZINC000083766146 640598809 /nfs/dbraw/zinc/59/88/09/640598809.db2.gz HQRLLJUCDAULFY-LBPRGKRZSA-N 0 0 298.342 3.213 10 30 CGEERN COc1ccc(O)cc1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000588409676 799690302 /nfs/dbraw/zinc/69/03/02/799690302.db2.gz MFSXCXSUUBVFJT-VURMDHGXSA-N 0 0 299.282 3.205 10 30 CGEERN COc1ccc(O)cc1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000588410335 799690445 /nfs/dbraw/zinc/69/04/45/799690445.db2.gz FLVKWHGZEYIJID-YWEYNIOJSA-N 0 0 299.282 3.205 10 30 CGEERN Cc1cc([N+](=O)[O-])ccc1/C=C\C(=O)c1cc(O)cc(O)c1 ZINC000588450206 799695759 /nfs/dbraw/zinc/69/57/59/799695759.db2.gz LSMBLLNCVDIENZ-HYXAFXHYSA-N 0 0 299.282 3.211 10 30 CGEERN C/C=C(\CC)C(=O)OC[C@H](C#N)Cc1ccccc1 ZINC000588569918 799714983 /nfs/dbraw/zinc/71/49/83/799714983.db2.gz FAJOHVCLYUMTII-QGJLXUEESA-N 0 0 257.333 3.268 10 30 CGEERN COc1ccc2[nH]cc(C(=O)/C=C\c3cocn3)c2c1 ZINC000588579427 799717001 /nfs/dbraw/zinc/71/70/01/799717001.db2.gz OCLVKUBRXYISIX-DJWKRKHSSA-N 0 0 268.272 3.061 10 30 CGEERN CCCCCCCNC(=O)c1cccc(C(=O)OC)c1 ZINC000100277446 937227570 /nfs/dbraw/zinc/22/75/70/937227570.db2.gz OUIJTFNRVXGDKW-UHFFFAOYSA-N 0 0 277.364 3.173 10 30 CGEERN C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ncc(C(=O)[O-])s1 ZINC000692205657 976406108 /nfs/dbraw/zinc/40/61/08/976406108.db2.gz SDZQJDYPOTUULP-MNOVXSKESA-N 0 0 280.393 3.066 10 30 CGEERN C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(C(=O)[O-])c(C)[nH]1 ZINC000692228674 976408061 /nfs/dbraw/zinc/40/80/61/976408061.db2.gz ZBOYVQNRFKDQKJ-WFASDCNBSA-N 0 0 276.380 3.246 10 30 CGEERN COc1ccc(/C=N\c2ccc(OC(C)=O)cc2)cc1 ZINC000017751311 230371924 /nfs/dbraw/zinc/37/19/24/230371924.db2.gz HOYWVKUPOCFKOT-BOPFTXTBSA-N 0 0 269.300 3.371 10 30 CGEERN N#Cc1ccc(N[C@@H]2CCC[C@H]3C[C@H]32)cc1[N+](=O)[O-] ZINC000591991561 346954180 /nfs/dbraw/zinc/95/41/80/346954180.db2.gz VSJQUTJPTFYBAV-ZWKOPEQDSA-N 0 0 257.293 3.067 10 30 CGEERN Fc1nc(F)c2c(F)c(F)c(F)c(F)c2c1F ZINC000006090898 344863972 /nfs/dbraw/zinc/86/39/72/344863972.db2.gz XQRRSUIMAAZUTJ-UHFFFAOYSA-N 0 0 255.092 3.209 10 30 CGEERN Cc1ccc2c(c1)/C(=C\C(=O)c1ccccc1)C(=O)N2 ZINC000032313732 344931201 /nfs/dbraw/zinc/93/12/01/344931201.db2.gz PLAVBMBFVMUSER-GXDHUFHOSA-N 0 0 263.296 3.213 10 30 CGEERN COc1ccc(C#Cc2ccccc2)c(CC(C)=O)c1 ZINC000034211336 344938518 /nfs/dbraw/zinc/93/85/18/344938518.db2.gz JHOJIBNNSNYOEU-UHFFFAOYSA-N 0 0 264.324 3.227 10 30 CGEERN COc1ccc(CC(C#N)(C#N)c2ccc(OC)cc2)cc1 ZINC000036461798 344943964 /nfs/dbraw/zinc/94/39/64/344943964.db2.gz YDKWAKLLZCTVNI-UHFFFAOYSA-N 0 0 292.338 3.231 10 30 CGEERN CC[C@@H](C#N)C(=O)c1cc(Br)ccc1F ZINC000036916058 344945678 /nfs/dbraw/zinc/94/56/78/344945678.db2.gz RRZMSJFBPSAXOI-ZETCQYMHSA-N 0 0 270.101 3.321 10 30 CGEERN N#C[C@]1(N2CCCCC2)CCCN(Cc2ccccc2)C1 ZINC000037355638 344949456 /nfs/dbraw/zinc/94/94/56/344949456.db2.gz MTDUYAOVCSHIKU-GOSISDBHSA-N 0 0 283.419 3.031 10 30 CGEERN C[C@H](C#N)CC(=O)c1ccc(F)c(Br)c1 ZINC000043368247 344997864 /nfs/dbraw/zinc/99/78/64/344997864.db2.gz QQHDTWGRXGCTFB-ZETCQYMHSA-N 0 0 270.101 3.321 10 30 CGEERN N#Cc1nccnc1N[C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000078360027 345603729 /nfs/dbraw/zinc/60/37/29/345603729.db2.gz BXCAGKMCCTVVDN-ZIAGYGMSSA-N 0 0 282.322 3.236 10 30 CGEERN COCCSc1cc(C#N)c2cc(Cl)ccc2n1 ZINC000092662669 345851178 /nfs/dbraw/zinc/85/11/78/345851178.db2.gz BBUBZOPLRCXKPX-UHFFFAOYSA-N 0 0 278.764 3.498 10 30 CGEERN N#C[C@@H]1CCCC[C@@H]1NCc1cc(F)ccc1F ZINC000111405614 345949407 /nfs/dbraw/zinc/94/94/07/345949407.db2.gz VSOVIUBCUYJXSF-HZMBPMFUSA-N 0 0 250.292 3.137 10 30 CGEERN CCCC(=O)Nc1ccc([N+](=O)[O-])cc1C#CC1(C)CC1 ZINC000116249545 345976442 /nfs/dbraw/zinc/97/64/42/345976442.db2.gz XRPBXKDBTPEKNI-UHFFFAOYSA-N 0 0 286.331 3.485 10 30 CGEERN C=C(Br)Cn1cc2c(c1)C(=O)CCCC2 ZINC000135380070 346087645 /nfs/dbraw/zinc/08/76/45/346087645.db2.gz ASILJXOPJGTBGX-UHFFFAOYSA-N 0 0 268.154 3.306 10 30 CGEERN COc1ccc2c(c1)CCC(=O)/C2=C\c1cccnc1 ZINC000140932173 346107025 /nfs/dbraw/zinc/10/70/25/346107025.db2.gz YLRNFHVIDXBSNE-SXGWCWSVSA-N 0 0 265.312 3.146 10 30 CGEERN C#CCC(CCCCCC)(C(=O)OCC)C(=O)OCC ZINC000140532635 346104713 /nfs/dbraw/zinc/10/47/13/346104713.db2.gz ZBGVWOQHRPUQBJ-UHFFFAOYSA-N 0 0 282.380 3.093 10 30 CGEERN OCCC#Cc1ccc2c(ccc3cc(O)ccc32)c1 ZINC000149474939 346131026 /nfs/dbraw/zinc/13/10/26/346131026.db2.gz XKWXMBCDBSYFNM-UHFFFAOYSA-N 0 0 262.308 3.433 10 30 CGEERN C=CCSCCCOS(=O)(=O)c1ccc(C)cc1 ZINC000149392908 346131281 /nfs/dbraw/zinc/13/12/81/346131281.db2.gz FOJYGXBLVGZYOX-UHFFFAOYSA-N 0 0 286.418 3.010 10 30 CGEERN C=CCCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000162235336 346178116 /nfs/dbraw/zinc/17/81/16/346178116.db2.gz FVTXLYGLUICSTB-SECBINFHSA-N 0 0 288.174 3.453 10 30 CGEERN COc1ccccc1[C@@]1(Cl)c2cc(C#N)ccc2NC1=O ZINC000168098092 346189928 /nfs/dbraw/zinc/18/99/28/346189928.db2.gz LBPMEEKSATXQNE-MRXNPFEDSA-N 0 0 298.729 3.001 10 30 CGEERN COc1cc(Br)c(Cl)cc1CC#N ZINC000218073668 346292849 /nfs/dbraw/zinc/29/28/49/346292849.db2.gz XDYRGKBZYUYFAP-UHFFFAOYSA-N 0 0 260.518 3.177 10 30 CGEERN CC1CCC(c2noc(-c3ccc(C#N)cn3)n2)CC1 ZINC000232829627 346328265 /nfs/dbraw/zinc/32/82/65/346328265.db2.gz ZGVYNTHGQBZLNV-UHFFFAOYSA-N 0 0 268.320 3.297 10 30 CGEERN CC[C@H](C#N)Nc1c(F)cccc1Br ZINC000232126058 346324406 /nfs/dbraw/zinc/32/44/06/346324406.db2.gz LPMNGAXKNYALOA-SSDOTTSWSA-N 0 0 257.106 3.302 10 30 CGEERN COc1ccc([N+](=O)[O-])cc1N=Cc1cccs1 ZINC000254614878 346395716 /nfs/dbraw/zinc/39/57/16/346395716.db2.gz DTGMBGYNEJVMLN-UHFFFAOYSA-N 0 0 262.290 3.416 10 30 CGEERN N#CC(F)(F)c1ccc(Br)c(F)c1 ZINC000307463116 346462897 /nfs/dbraw/zinc/46/28/97/346462897.db2.gz GNPLNIPVYQSMSI-UHFFFAOYSA-N 0 0 250.017 3.204 10 30 CGEERN N#Cc1ccc(C(=O)C(Cl)(Cl)Cl)cc1F ZINC000308795458 346467963 /nfs/dbraw/zinc/46/79/63/346467963.db2.gz KBKWGTYFXUFVGS-UHFFFAOYSA-N 0 0 266.486 3.250 10 30 CGEERN C#C[C@@H]1c2ccsc2CCN1C(=O)OC(C)(C)C ZINC000409429614 346605085 /nfs/dbraw/zinc/60/50/85/346605085.db2.gz CXORCCPCDJEWCM-LLVKDONJSA-N 0 0 263.362 3.216 10 30 CGEERN N#CCc1cc(C(F)(F)F)c(N)cc1C(F)(F)F ZINC000514262652 346636388 /nfs/dbraw/zinc/63/63/88/346636388.db2.gz SYJGYNXBEKLUJZ-UHFFFAOYSA-N 0 0 268.160 3.372 10 30 CGEERN N#C[C@@H](c1cccc(F)c1F)[C@H](CCO)c1cncs1 ZINC000584639275 346702333 /nfs/dbraw/zinc/70/23/33/346702333.db2.gz KJOYSKGUYCMJSR-GXSJLCMTSA-N 0 0 294.326 3.195 10 30 CGEERN CC(=O)N(O)c1ccc(/C=C/c2ccc(C#N)cc2)cc1 ZINC000584591123 346685671 /nfs/dbraw/zinc/68/56/71/346685671.db2.gz IUQSUKXBVDNNMV-NSCUHMNNSA-N 0 0 278.311 3.471 10 30 CGEERN CCOP(=O)(OCC)[C@H](C#N)C[Si](C)(C)C ZINC000584602696 346689756 /nfs/dbraw/zinc/68/97/56/346689756.db2.gz UKPHFTDNXGQXFU-SNVBAGLBSA-N 0 0 263.350 3.483 10 30 CGEERN CCCO[C@@](O)(C=O)c1ccc(-c2ccccc2)cc1 ZINC000584611571 346692543 /nfs/dbraw/zinc/69/25/43/346692543.db2.gz GLBWBEICAAVUML-KRWDZBQOSA-N 0 0 270.328 3.124 10 30 CGEERN O=C1C=C[C@@H](O)O[C@H]1c1ccc2oc3ccccc3c2c1 ZINC000584625561 346697541 /nfs/dbraw/zinc/69/75/41/346697541.db2.gz KDPBPVOBQGJOBS-IRXDYDNUSA-N 0 0 280.279 3.101 10 30 CGEERN N#C[C@@H](c1nccs1)[C@H](CCO)c1c(F)cccc1F ZINC000584630355 346698578 /nfs/dbraw/zinc/69/85/78/346698578.db2.gz QVPCOYKXBNMBRP-VHSXEESVSA-N 0 0 294.326 3.195 10 30 CGEERN Cc1cc(F)ccc1C1=CC[C@H](OS(C)(=O)=O)CC1 ZINC000584631302 346698983 /nfs/dbraw/zinc/69/89/83/346698983.db2.gz KMXMDVHMBYZAHN-ZDUSSCGKSA-N 0 0 284.352 3.046 10 30 CGEERN N#C[C@@H](c1cccnc1)[C@H](CCO)c1cccc(F)c1F ZINC000584633649 346699626 /nfs/dbraw/zinc/69/96/26/346699626.db2.gz XQXNVQPJSXWUSP-OCCSQVGLSA-N 0 0 288.297 3.133 10 30 CGEERN CC[N@@H+]1CC[C@@H]([C@@](C#N)(c2ccccc2)c2cccnc2)C1 ZINC000584633489 346699899 /nfs/dbraw/zinc/69/98/99/346699899.db2.gz NDMOYDOOJSHJCQ-MOPGFXCFSA-N 0 0 291.398 3.233 10 30 CGEERN COC1(C(N)=CC(=O)c2ccccc2)CCCCC1 ZINC000102902479 185797695 /nfs/dbraw/zinc/79/76/95/185797695.db2.gz ZOBLEOKYOFGFCT-NTCAYCPXSA-N 0 0 259.349 3.061 10 30 CGEERN N#C[C@@H]1CCCC[C@@H]1NCc1nc2c(s1)CCCC2 ZINC000597196495 347550580 /nfs/dbraw/zinc/55/05/80/347550580.db2.gz DNYHVNCNJGWJNS-RYUDHWBXSA-N 0 0 275.421 3.194 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NCc1c(F)ccc(F)c1Cl ZINC000600145996 347784623 /nfs/dbraw/zinc/78/46/23/347784623.db2.gz SYFNBERYELXXKI-UFBFGSQYSA-N 0 0 270.710 3.400 10 30 CGEERN CC(=O)N1C[C@@H](c2ccccc2C#N)Cc2ccccc21 ZINC000616670103 348861263 /nfs/dbraw/zinc/86/12/63/348861263.db2.gz AKCCZHLKSLJVHG-INIZCTEOSA-N 0 0 276.339 3.251 10 30 CGEERN COC(=O)N1c2ccccc2NC[C@@H]1c1ccc(C#N)cc1 ZINC000616686117 348867624 /nfs/dbraw/zinc/86/76/24/348867624.db2.gz WVCFRGWSDMLPRV-MRXNPFEDSA-N 0 0 293.326 3.298 10 30 CGEERN Cc1nn(C)c(Nc2ccc(F)cc2Cl)c1C#N ZINC000104323832 185968750 /nfs/dbraw/zinc/96/87/50/185968750.db2.gz BHCPZUUWBKJEEB-UHFFFAOYSA-N 0 0 264.691 3.136 10 30 CGEERN CCC(CC)[C@H](C)NC(=O)C1(C#N)CCCCC1 ZINC000104431846 186000548 /nfs/dbraw/zinc/00/05/48/186000548.db2.gz MUNSUPYOQDXRMN-LBPRGKRZSA-N 0 0 250.386 3.401 10 30 CGEERN C#CCCCCNC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000155128610 188185975 /nfs/dbraw/zinc/18/59/75/188185975.db2.gz YWZNUUYXWUPLDB-CYBMUJFWSA-N 0 0 291.420 3.183 10 30 CGEERN N#Cc1cc(-c2ccc(Cl)c(C#N)c2)ccc1O ZINC000065341535 283085663 /nfs/dbraw/zinc/08/56/63/283085663.db2.gz WCOGVBZRCVLIQU-UHFFFAOYSA-N 0 0 254.676 3.456 10 30 CGEERN N#Cc1ccc(N[C@@H]2COc3ccccc32)c([N+](=O)[O-])c1 ZINC000070199003 283180649 /nfs/dbraw/zinc/18/06/49/283180649.db2.gz GWCQJCSCTBTVHJ-CYBMUJFWSA-N 0 0 281.271 3.012 10 30 CGEERN N#Cc1cccc(-c2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000091364478 283201655 /nfs/dbraw/zinc/20/16/55/283201655.db2.gz TXBYUOPNJJOAHI-UHFFFAOYSA-N 0 0 264.244 3.010 10 30 CGEERN CC(=O)c1ccc(Oc2cccc(C#N)n2)cc1F ZINC000301812865 201212848 /nfs/dbraw/zinc/21/28/48/201212848.db2.gz CBAVZZRCHSWUEB-UHFFFAOYSA-N 0 0 256.236 3.087 10 30 CGEERN C[C@H](Cc1cccc(F)c1)Nc1cccc(C#N)n1 ZINC000301843978 201230623 /nfs/dbraw/zinc/23/06/23/201230623.db2.gz LGYSARMPTUCJQK-LLVKDONJSA-N 0 0 255.296 3.135 10 30 CGEERN C=CC[C@@H]([NH2+]Cc1ccccc1)c1ccc(C(=O)[O-])o1 ZINC000000163932 368306516 /nfs/dbraw/zinc/30/65/16/368306516.db2.gz QPWMBWJEOCQEGJ-CYBMUJFWSA-N 0 0 271.316 3.385 10 30 CGEERN Cc1ccccc1NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000003445337 368507445 /nfs/dbraw/zinc/50/74/45/368507445.db2.gz KOIZPYOQILWWLM-ZDUSSCGKSA-N 0 0 280.327 3.273 10 30 CGEERN Oc1ccc(Br)cc1/C=N/c1ccncc1 ZINC000016672003 368719520 /nfs/dbraw/zinc/71/95/20/368719520.db2.gz GYHMNFYAYJRJJU-OVCLIPMQSA-N 0 0 277.121 3.300 10 30 CGEERN CN(C)/C=C\C(=O)/C=C\c1c(F)cccc1Cl ZINC000032252422 368929125 /nfs/dbraw/zinc/92/91/25/368929125.db2.gz IBHIVQJKOJIYEH-JPDBVBESSA-N 0 0 253.704 3.137 10 30 CGEERN N#CCC[C@H](C#N)CN1CC=C(c2ccccc2F)CC1 ZINC000127510905 370952665 /nfs/dbraw/zinc/95/26/65/370952665.db2.gz DIMDGQUZVAXVEU-CQSZACIVSA-N 0 0 283.350 3.358 10 30 CGEERN C=CCOc1ccccc1CN[C@@H]1CCC[C@H]1C#N ZINC000061892112 369610650 /nfs/dbraw/zinc/61/06/50/369610650.db2.gz OYSQNHATSMHKKR-DZGCQCFKSA-N 0 0 256.349 3.033 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(Cl)cc1 ZINC000061889308 369610767 /nfs/dbraw/zinc/61/07/67/369610767.db2.gz MGYDKGHFGQGSEU-SKDRFNHKSA-N 0 0 263.728 3.154 10 30 CGEERN CC(C)Oc1ccccc1CN[C@@H]1CCC[C@H]1C#N ZINC000061892092 369611054 /nfs/dbraw/zinc/61/10/54/369611054.db2.gz MUOPBWCRSGPQMC-DZGCQCFKSA-N 0 0 258.365 3.256 10 30 CGEERN O=C(CS)N(C1CCCCC1)C1CCCCC1 ZINC000095082641 370172348 /nfs/dbraw/zinc/17/23/48/370172348.db2.gz DFVNXIYJJBWLLO-UHFFFAOYSA-N 0 0 255.427 3.410 10 30 CGEERN Cc1ccc([C@H]2CN(CC(C)(C)CCC#N)CCO2)o1 ZINC000093865188 370164820 /nfs/dbraw/zinc/16/48/20/370164820.db2.gz DBNBTGHVURINRS-OAHLLOKOSA-N 0 0 276.380 3.291 10 30 CGEERN C=C(C)C(=O)OCCOC1=C[C@@H]2C[C@H]1[C@@H]1CCC[C@@H]21 ZINC000100051346 370270147 /nfs/dbraw/zinc/27/01/47/370270147.db2.gz BSORNSOZDOIQPU-FQUUOJAGSA-N 0 0 262.349 3.072 10 30 CGEERN CC(=O)N(C)c1ccc(/N=C\c2cccs2)cc1 ZINC000100212343 370274241 /nfs/dbraw/zinc/27/42/41/370274241.db2.gz RBSPNZPZLJMYNM-GDNBJRDFSA-N 0 0 258.346 3.481 10 30 CGEERN Fc1ccc(C/N=C/c2ccc3c(c2)OCO3)cc1 ZINC000100415061 370278039 /nfs/dbraw/zinc/27/80/39/370278039.db2.gz FXVKQHLKOBWJGT-RQZCQDPDSA-N 0 0 257.264 3.174 10 30 CGEERN COc1ccc(/N=C(\C)c2ccncc2)c(OC)c1 ZINC000100387304 370278280 /nfs/dbraw/zinc/27/82/80/370278280.db2.gz IICFUULWNKSSIW-GZTJUZNOSA-N 0 0 256.305 3.240 10 30 CGEERN CC[C@H](C#N)NC(=O)[C@H](C)c1ccc(CC(C)C)cc1 ZINC000130043988 371010191 /nfs/dbraw/zinc/01/01/91/371010191.db2.gz HQHUOQIYHGTWNO-CZUORRHYSA-N 0 0 272.392 3.407 10 30 CGEERN N#Cc1ccc(NC(=O)N2CC3(CC3)C2)cc1C(F)(F)F ZINC000333271345 205169990 /nfs/dbraw/zinc/16/99/90/205169990.db2.gz WBHBPSBMMBHXKU-UHFFFAOYSA-N 0 0 295.264 3.205 10 30 CGEERN N#Cc1ccccc1CN1CCCC[C@@H]1c1cn[nH]c1 ZINC000172068212 372895082 /nfs/dbraw/zinc/89/50/82/372895082.db2.gz ZQDADUNFZKSUJO-MRXNPFEDSA-N 0 0 266.348 3.009 10 30 CGEERN CCC(CC)(CC)CNc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000302765851 373956865 /nfs/dbraw/zinc/95/68/65/373956865.db2.gz ZMXQHENLTCIFJZ-UHFFFAOYSA-N 0 0 276.340 3.490 10 30 CGEERN C[C@H]1CC[C@@]2(CCN(c3c(C#N)cccc3C#N)C2)C1 ZINC000302887785 373997853 /nfs/dbraw/zinc/99/78/53/373997853.db2.gz NZRQPXIWDMTMEX-SUMWQHHRSA-N 0 0 265.360 3.446 10 30 CGEERN C[C@]1(NC(=O)NC(C2CCC2)C2CCC2)CCCOC1 ZINC000329278568 374402058 /nfs/dbraw/zinc/40/20/58/374402058.db2.gz CZHSTHOZFHQPEW-INIZCTEOSA-N 0 0 280.412 3.028 10 30 CGEERN C[C@H](C(=O)Nc1ccccc1)N1CCC[C@@H](n2cccn2)C1 ZINC000328713460 374376788 /nfs/dbraw/zinc/37/67/88/374376788.db2.gz RZTNDXUTJJLHJU-GDBMZVCRSA-N 0 0 298.390 3.197 10 30 CGEERN NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)C[C@H]1CCCCC(=O)N1 ZINC000329846587 374435485 /nfs/dbraw/zinc/43/54/85/374435485.db2.gz OYFMTWCQGFYTAI-UTUOFQBUSA-N 0 0 295.383 3.326 10 30 CGEERN Cc1nn(-c2ccccc2)cc1NC(=O)N1C[C@H]2CCC[C@@H]21 ZINC000329701180 374422196 /nfs/dbraw/zinc/42/21/96/374422196.db2.gz HFUHTUAPLJMGIS-CJNGLKHVSA-N 0 0 296.374 3.211 10 30 CGEERN C=CC[C@H](CO)NC(=O)[C@H](C)c1ccc(CC(C)C)cc1 ZINC000185869307 374756274 /nfs/dbraw/zinc/75/62/74/374756274.db2.gz YPXVZRNHUFZUKI-RHSMWYFYSA-N 0 0 289.419 3.042 10 30 CGEERN C=C(Cl)CN1CCC[C@@H](c2nc(C)cs2)C1 ZINC000195440542 376103539 /nfs/dbraw/zinc/10/35/39/376103539.db2.gz PTTMHQRWXLGHDM-LLVKDONJSA-N 0 0 256.802 3.383 10 30 CGEERN N#Cc1c(F)cccc1Oc1cc(F)cc(C=O)c1 ZINC000225516528 376314199 /nfs/dbraw/zinc/31/41/99/376314199.db2.gz DLXURRGYKKYPNW-UHFFFAOYSA-N 0 0 259.211 3.441 10 30 CGEERN CCC[C@H]1C[C@H]1Nc1nnc(CC)c(CC)c1C#N ZINC000229734619 376469556 /nfs/dbraw/zinc/46/95/56/376469556.db2.gz QQFRVDQDGQHZHB-IINYFYTJSA-N 0 0 258.369 3.074 10 30 CGEERN C[C@@H]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000235240687 376636477 /nfs/dbraw/zinc/63/64/77/376636477.db2.gz OXJPSLPFNBCRDN-GHMZBOCLSA-N 0 0 274.324 3.100 10 30 CGEERN C#CC(=O)CCN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000140041258 542095891 /nfs/dbraw/zinc/09/58/91/542095891.db2.gz UZKTVHHGBQHQFN-UHFFFAOYSA-N 0 0 287.359 3.016 10 30 CGEERN CC(C)(C)OC(=O)N1CC[C@@H](c2cccc(C#N)c2)C1 ZINC000260893071 377810379 /nfs/dbraw/zinc/81/03/79/377810379.db2.gz PPZZKUDXXUIKTH-CQSZACIVSA-N 0 0 272.348 3.283 10 30 CGEERN CCOC(=O)c1cc(C#N)c(CC)c(C(F)F)c1 ZINC000575389378 377897700 /nfs/dbraw/zinc/89/77/00/377897700.db2.gz DGCVALTYMJYXII-UHFFFAOYSA-N 0 0 253.248 3.235 10 30 CGEERN COC(=O)c1cc(C#N)c(F)cc1SC(F)(F)F ZINC000575390663 377898178 /nfs/dbraw/zinc/89/81/78/377898178.db2.gz MPTWVYCNUCERGK-UHFFFAOYSA-N 0 0 279.214 3.096 10 30 CGEERN OCc1cc(F)c(C(F)(F)F)c(C(F)(F)F)c1 ZINC000575339909 377881365 /nfs/dbraw/zinc/88/13/65/377881365.db2.gz WWVKBBFULMFFNI-UHFFFAOYSA-N 0 0 262.124 3.356 10 30 CGEERN CCOC(=O)Cc1cc(C#N)c(Cl)cc1C(F)(F)F ZINC000575383486 377893622 /nfs/dbraw/zinc/89/36/22/377893622.db2.gz XJKXFDYBARVZJG-UHFFFAOYSA-N 0 0 291.656 3.336 10 30 CGEERN CCOC(=O)c1ccc(Cl)c(C#N)c1C(F)(F)F ZINC000575383267 377893767 /nfs/dbraw/zinc/89/37/67/377893767.db2.gz MJHJQUUYECYVQK-UHFFFAOYSA-N 0 0 277.629 3.407 10 30 CGEERN COC(=O)c1c(C(F)F)ccc(C#N)c1OC(F)(F)F ZINC000575387402 377895914 /nfs/dbraw/zinc/89/59/14/377895914.db2.gz MGBSFLFGLVYKQB-UHFFFAOYSA-N 0 0 295.163 3.181 10 30 CGEERN CCOC(=O)c1c(CC)ccc(OC(F)(F)F)c1C#N ZINC000575388797 377896468 /nfs/dbraw/zinc/89/64/68/377896468.db2.gz GHUMNNGTVWHGRU-UHFFFAOYSA-N 0 0 287.237 3.196 10 30 CGEERN CCOC(=O)c1c(O)ccc(SC(F)(F)F)c1C#N ZINC000575392398 377899845 /nfs/dbraw/zinc/89/98/45/377899845.db2.gz YJVARBJQWROOJK-UHFFFAOYSA-N 0 0 291.250 3.052 10 30 CGEERN CCOC(=O)c1cc(C#N)c(C(F)(F)F)c(CC)c1 ZINC000575389810 377897440 /nfs/dbraw/zinc/89/74/40/377897440.db2.gz PJAZSCPEEGPNDL-UHFFFAOYSA-N 0 0 271.238 3.316 10 30 CGEERN C#CCNc1cc(Cl)c(Br)cc1F ZINC000575556749 377917505 /nfs/dbraw/zinc/91/75/05/377917505.db2.gz QROFITJHJOXYNL-UHFFFAOYSA-N 0 0 262.509 3.287 10 30 CGEERN N#Cc1ccc(F)c(OC(F)F)c1C(F)(F)F ZINC000575658614 377935020 /nfs/dbraw/zinc/93/50/20/377935020.db2.gz CURGQZKTTLXTJR-UHFFFAOYSA-N 0 0 255.117 3.318 10 30 CGEERN Cc1c(C#N)cc(OC(F)F)cc1OC(F)(F)F ZINC000575664220 377939634 /nfs/dbraw/zinc/93/96/34/377939634.db2.gz DCGXLXCXHGKYRU-UHFFFAOYSA-N 0 0 267.153 3.367 10 30 CGEERN N#CCc1c([N+](=O)[O-])cc(OC(F)F)cc1C(F)(F)F ZINC000575666258 377943390 /nfs/dbraw/zinc/94/33/90/377943390.db2.gz JSYGOGVBCHCLDJ-UHFFFAOYSA-N 0 0 296.151 3.281 10 30 CGEERN N#Cc1c(Cl)ccc(OC(F)F)c1OC(F)F ZINC000575676281 377951954 /nfs/dbraw/zinc/95/19/54/377951954.db2.gz ODRYKBNSUDKKRW-UHFFFAOYSA-N 0 0 269.581 3.414 10 30 CGEERN N#CCc1ccc([N+](=O)[O-])c(Br)c1Cl ZINC000575679142 377952455 /nfs/dbraw/zinc/95/24/55/377952455.db2.gz ZFMDOLAYTGSOEF-UHFFFAOYSA-N 0 0 275.489 3.077 10 30 CGEERN N#Cc1cc(OC(F)F)c(OC(F)F)cc1Cl ZINC000575677940 377953138 /nfs/dbraw/zinc/95/31/38/377953138.db2.gz UBLNMTRROAZSBG-UHFFFAOYSA-N 0 0 269.581 3.414 10 30 CGEERN N#Cc1cc(F)c(OC(F)F)c(Br)c1 ZINC000575679801 377953675 /nfs/dbraw/zinc/95/36/75/377953675.db2.gz BXLVZFBKZSBCKJ-UHFFFAOYSA-N 0 0 266.016 3.061 10 30 CGEERN COC(=O)c1cc(C)c(C#N)cc1SC(F)(F)F ZINC000575395228 377902637 /nfs/dbraw/zinc/90/26/37/377902637.db2.gz SXGRVDCRGUMOQS-UHFFFAOYSA-N 0 0 275.251 3.265 10 30 CGEERN N#Cc1c(F)cc(Br)cc1OC(F)F ZINC000575680937 377954503 /nfs/dbraw/zinc/95/45/03/377954503.db2.gz WFZHBHKNULAFPC-UHFFFAOYSA-N 0 0 266.016 3.061 10 30 CGEERN C#C[C@H](C)Nc1cc(C)cc(I)c1 ZINC000575488656 377915261 /nfs/dbraw/zinc/91/52/61/377915261.db2.gz PLSQYJDYBJIEIM-VIFPVBQESA-N 0 0 285.128 3.033 10 30 CGEERN O=C(/C=C/Cl)c1ccsc1Br ZINC000575500353 377915956 /nfs/dbraw/zinc/91/59/56/377915956.db2.gz LEPVLFYFARCNQB-HNQUOIGGSA-N 0 0 251.532 3.446 10 30 CGEERN N#CCc1cc(C(F)(F)F)cc([N+](=O)[O-])c1Cl ZINC000575694793 377969257 /nfs/dbraw/zinc/96/92/57/377969257.db2.gz NSZMTZZPZQYWRN-UHFFFAOYSA-N 0 0 264.590 3.333 10 30 CGEERN CCc1cc(C=O)cc(CC#N)c1OC(F)(F)F ZINC000575702146 377975688 /nfs/dbraw/zinc/97/56/88/377975688.db2.gz FSPBMTDKAAQLQB-UHFFFAOYSA-N 0 0 257.211 3.026 10 30 CGEERN N#Cc1ccc(-c2cncn2CCc2ccc(F)cc2)cn1 ZINC000584628503 378395396 /nfs/dbraw/zinc/39/53/96/378395396.db2.gz KOBHCFALHJKKMC-UHFFFAOYSA-N 0 0 292.317 3.199 10 30 CGEERN N#CCc1ccc(OC(F)(F)F)cc1OC(F)F ZINC000616575310 378409687 /nfs/dbraw/zinc/40/96/87/378409687.db2.gz BNEFYHKWHNKUFE-UHFFFAOYSA-N 0 0 267.153 3.253 10 30 CGEERN N#Cc1ccc(N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cn1 ZINC000267420445 190329187 /nfs/dbraw/zinc/32/91/87/190329187.db2.gz UIMHRHVMBUNMCU-NXEZZACHSA-N 0 0 269.270 3.486 10 30 CGEERN O=C1CS/C(=N/N=C2CCCC2)N1c1ccccc1 ZINC000033924527 296341857 /nfs/dbraw/zinc/34/18/57/296341857.db2.gz RKYLSOWJZHZGIV-JQIJEIRASA-N 0 0 273.361 3.052 10 30 CGEERN O=C(Nc1nccn1-c1ccccc1)N1CC[C@@H]2CCC[C@H]21 ZINC000328713332 542443999 /nfs/dbraw/zinc/44/39/99/542443999.db2.gz BYDCYRCXOVPHAJ-DZGCQCFKSA-N 0 0 296.374 3.292 10 30 CGEERN O=C(Nc1ccc(OC(F)F)nc1)N1CC[C@H]2CCC[C@H]21 ZINC000328707694 542444502 /nfs/dbraw/zinc/44/45/02/542444502.db2.gz QDABYCXFMNGUQQ-MWLCHTKSSA-N 0 0 297.305 3.103 10 30 CGEERN C[C@H](NC(=O)CCC(=O)NC1CCCC1)[C@@H]1CCCO1 ZINC000328788874 542445433 /nfs/dbraw/zinc/44/54/33/542445433.db2.gz PNAPFLCKHWISSI-AAEUAGOBSA-N 0 0 282.384 3.190 10 30 CGEERN C[C@H](NC(=O)[C@@H]1CCCC(=O)N1)C1CCCCC1 ZINC000328891978 542445549 /nfs/dbraw/zinc/44/55/49/542445549.db2.gz TUNLOAFCRUXCPQ-JQWIXIFHSA-N 0 0 252.358 3.421 10 30 CGEERN C[C@@H]1CC(CNc2ccc(C#N)cc2F)C[C@@H](C)O1 ZINC000281814501 195393529 /nfs/dbraw/zinc/39/35/29/195393529.db2.gz JJBWVTNAMJYOPC-GHMZBOCLSA-N 0 0 262.328 3.313 10 30 CGEERN C#CCN(C)C(=O)[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000191172908 130195216 /nfs/dbraw/zinc/19/52/16/130195216.db2.gz DMWSRPJAPZKRCA-CVEARBPZSA-N 0 0 255.361 3.005 10 30 CGEERN C=CCCC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000121724802 392416385 /nfs/dbraw/zinc/41/63/85/392416385.db2.gz NVISYPBWYYYJSY-CYBMUJFWSA-N 0 0 259.349 3.371 10 30 CGEERN Cc1ccc([C@H](C)NCC#Cc2ccc(F)cc2)o1 ZINC000182565268 392748090 /nfs/dbraw/zinc/74/80/90/392748090.db2.gz IFYIBRDKXHJNFM-ZDUSSCGKSA-N 0 0 257.308 3.429 10 30 CGEERN N#CCCCCNC(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000179307872 392696131 /nfs/dbraw/zinc/69/61/31/392696131.db2.gz QPFXCSOWSQYNOL-OAHLLOKOSA-N 0 0 289.354 3.196 10 30 CGEERN C[C@H](C#N)Oc1cc(Br)cc(F)c1F ZINC000219874984 393004278 /nfs/dbraw/zinc/00/42/78/393004278.db2.gz OLNYZOVMWIQMOO-RXMQYKEDSA-N 0 0 262.053 3.018 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NCc1cccc(Br)c1F ZINC000394748712 397695967 /nfs/dbraw/zinc/69/59/67/397695967.db2.gz ZLEDPRFNOBWQLA-SKDRFNHKSA-N 0 0 297.171 3.370 10 30 CGEERN C=CCN(CC=C)c1c(C)cc(OC(=O)NC)cc1C ZINC000002033963 169770241 /nfs/dbraw/zinc/77/02/41/169770241.db2.gz FBEHFRAORPEGFH-UHFFFAOYSA-N 0 0 274.364 3.200 10 30 in-vitro CGEERN C[C@@H](Sc1ccccn1)C(=O)Nc1ccc(C#N)cc1 ZINC000004835333 170026665 /nfs/dbraw/zinc/02/66/65/170026665.db2.gz SHGNDCHTYJPDPH-LLVKDONJSA-N 0 0 283.356 3.073 10 30 CGEERN CC(=O)Oc1ccc(C=NNc2ccccc2)cc1 ZINC000005283688 170082666 /nfs/dbraw/zinc/08/26/66/170082666.db2.gz SLJJQGIOWRGNMP-LFIBNONCSA-N 0 0 254.289 3.058 10 30 CGEERN COc1cccc(/C=N\c2ccc([N+](=O)[O-])cc2)c1 ZINC000005361548 170089725 /nfs/dbraw/zinc/08/97/25/170089725.db2.gz KCCRVILXYBRGEW-GDNBJRDFSA-N 0 0 256.261 3.354 10 30 CGEERN COc1ccc(/C=C2\CCC/C(=C\C=N\N(C)C)C2=O)cc1 ZINC000005603131 170118569 /nfs/dbraw/zinc/11/85/69/170118569.db2.gz NAEHZEKETLQJLO-ODMBJOGHSA-N 0 0 298.386 3.305 10 30 CGEERN N#Cc1ccc(NC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000006889010 170253154 /nfs/dbraw/zinc/25/31/54/170253154.db2.gz CIWDOHYVZQAULK-MJBXVCDLSA-N 0 0 254.333 3.323 10 30 CGEERN Cc1ccc(NC(=S)NN=C2Cc3ccccc3C2)cc1 ZINC000007010902 170262346 /nfs/dbraw/zinc/26/23/46/170262346.db2.gz XCWBXAVBDPEYFH-UHFFFAOYSA-N 0 0 295.411 3.436 10 30 CGEERN COc1ccc(C)cc1C(=O)Nc1cccc(C#N)c1 ZINC000008135495 170320579 /nfs/dbraw/zinc/32/05/79/170320579.db2.gz QZAFXGJPOFKJNJ-UHFFFAOYSA-N 0 0 266.300 3.128 10 30 CGEERN N#Cc1ccccc1Oc1ccc(C=O)cc1[N+](=O)[O-] ZINC000008177766 170322717 /nfs/dbraw/zinc/32/27/17/170322717.db2.gz FIPNYLKPPZMYGW-UHFFFAOYSA-N 0 0 268.228 3.071 10 30 CGEERN CN(C)c1ccc(/C=C\C(=O)c2ccc(N)cc2)cc1 ZINC000009207378 170366543 /nfs/dbraw/zinc/36/65/43/170366543.db2.gz BJWWWAZDCHGYTO-XGICHPGQSA-N 0 0 266.344 3.231 10 30 CGEERN COc1ccc(COCc2cccc(C#N)c2)cc1 ZINC000019965656 170947170 /nfs/dbraw/zinc/94/71/70/170947170.db2.gz IUZQGNIWVUEWDP-UHFFFAOYSA-N 0 0 253.301 3.284 10 30 CGEERN C#Cc1cccc(NCc2ncc(C)c(OC)c2C)c1 ZINC000020034626 170974704 /nfs/dbraw/zinc/97/47/04/170974704.db2.gz SKMGDUGZXJMWNO-UHFFFAOYSA-N 0 0 266.344 3.300 10 30 CGEERN COc1ccc(OC)c([C@H](C#N)NCc2ccccc2)c1 ZINC000020175896 171042236 /nfs/dbraw/zinc/04/22/36/171042236.db2.gz CWQWTIAZTHLVDF-INIZCTEOSA-N 0 0 282.343 3.058 10 30 CGEERN COc1cc(Cl)c(C)cc1NC1=NC[C@H](C)S1 ZINC000035294472 172106248 /nfs/dbraw/zinc/10/62/48/172106248.db2.gz HWQFREHBFYZNQV-QMMMGPOBSA-N 0 0 270.785 3.369 10 30 CGEERN CCC[C@@H]1CC[C@H](C#N)[C@H](SCC(=O)OCC)C1 ZINC000036337197 172621006 /nfs/dbraw/zinc/62/10/06/172621006.db2.gz OHJZPJJSQJJREU-JHJVBQTASA-N 0 0 269.410 3.391 10 30 CGEERN COc1ccc(N)cc1Oc1ccc(C#N)cc1F ZINC000036886588 172781895 /nfs/dbraw/zinc/78/18/95/172781895.db2.gz JANDPCHUQWXJRJ-UHFFFAOYSA-N 0 0 258.252 3.080 10 30 CGEERN N#Cc1cc(NCc2ccc([N+](=O)[O-])o2)ccc1Cl ZINC000037282015 173089875 /nfs/dbraw/zinc/08/98/75/173089875.db2.gz YZSHCKHTNHSAMT-UHFFFAOYSA-N 0 0 277.667 3.325 10 30 CGEERN COc1ccccc1[C@H](C#N)C(=O)C1CCCCC1 ZINC000037346586 173143976 /nfs/dbraw/zinc/14/39/76/173143976.db2.gz HLDAGFGXFQMEPF-AWEZNQCLSA-N 0 0 257.333 3.452 10 30 CGEERN CCN(CC)[C@H](C#N)c1ccc(OC)c(Br)c1 ZINC000038052564 174064188 /nfs/dbraw/zinc/06/41/88/174064188.db2.gz ZCIAYMTWDTYMMV-GFCCVEGCSA-N 0 0 297.196 3.364 10 30 CGEERN Cc1cccc(NC2=CC(=O)c3ccccc3C2=O)c1 ZINC000038978628 174160784 /nfs/dbraw/zinc/16/07/84/174160784.db2.gz IEBJVWLLOHMVIW-UHFFFAOYSA-N 0 0 263.296 3.370 10 30 CGEERN CCC[C@@H](C#N)NC(=O)Nc1cccc(Cl)c1 ZINC000040220742 174206855 /nfs/dbraw/zinc/20/68/55/174206855.db2.gz ZEMPRVYIUDFOAN-NSHDSACASA-N 0 0 251.717 3.154 10 30 CGEERN C=CCNc1ncnc(Oc2cc(C)cc(C)c2)c1N ZINC000040681285 174375058 /nfs/dbraw/zinc/37/50/58/174375058.db2.gz OLQVDBHULZWYSL-UHFFFAOYSA-N 0 0 270.336 3.066 10 30 CGEERN CCOC(=O)[C@H](C#N)c1ccc(Cl)cc1Cl ZINC000044197736 175153311 /nfs/dbraw/zinc/15/33/11/175153311.db2.gz NDTTZWBRDOOGMT-SECBINFHSA-N 0 0 258.104 3.164 10 30 CGEERN CCCCCC[C@H](O)CC#CC(OCC)OCC ZINC000725254034 544112828 /nfs/dbraw/zinc/11/28/28/544112828.db2.gz CCRDHOJROJCPBN-AWEZNQCLSA-N 0 0 256.386 3.110 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)N1CCC=C(c2ccccc2)C1 ZINC000329512097 227565246 /nfs/dbraw/zinc/56/52/46/227565246.db2.gz CGEYGQZRXZOSRZ-RDJZCZTQSA-N 0 0 295.386 3.382 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)NCCC1=CCCCCC1 ZINC000329858823 227968881 /nfs/dbraw/zinc/96/88/81/227968881.db2.gz OGVPLDNLPGCFIT-GJZGRUSLSA-N 0 0 275.396 3.463 10 30 CGEERN Cc1nc(CC2CC2)sc1C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000330033755 228022746 /nfs/dbraw/zinc/02/27/46/228022746.db2.gz VVCUVBSJYHYPJV-NWDGAFQWSA-N 0 0 289.404 3.401 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)CCSc1ccc(F)cc1 ZINC000340526166 263185256 /nfs/dbraw/zinc/18/52/56/263185256.db2.gz ZCDCRHXUJIDYIO-FZMZJTMJSA-N 0 0 292.379 3.116 10 30 CGEERN O=C(N[C@@H]1CCC(=O)NC12CCC2)[C@H]1Cc2ccccc21 ZINC000328743750 263853064 /nfs/dbraw/zinc/85/30/64/263853064.db2.gz NPSCQCGXGWNWCT-UONOGXRCSA-N 0 0 284.359 3.324 10 30 CGEERN C[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(C#N)n2)[C@H]1C ZINC000300171959 278501939 /nfs/dbraw/zinc/50/19/39/278501939.db2.gz CUFIRMBDELZZEK-OUAUKWLOSA-N 0 0 274.324 3.098 10 30 CGEERN N#Cc1nccc2c(Br)ccc(F)c12 ZINC000082766698 279549009 /nfs/dbraw/zinc/54/90/09/279549009.db2.gz XMYVVPRJVMYLIM-UHFFFAOYSA-N 0 0 251.058 3.008 10 30 CGEERN CC(C)[C@H]1CCO[C@H]1C(=O)NCC1CCC(C#N)CC1 ZINC000329357243 280390430 /nfs/dbraw/zinc/39/04/30/280390430.db2.gz WMXCUKROGSTORH-NEXFUWMNSA-N 0 0 278.396 3.334 10 30 CGEERN CC1(C)CC[C@H](C(=O)N[C@H]2CCc3ccccc3C2=O)O1 ZINC000330245536 281117514 /nfs/dbraw/zinc/11/75/14/281117514.db2.gz XUFGBVJNBSWDPO-UONOGXRCSA-N 0 0 287.359 3.098 10 30 CGEERN N#CCCCCNC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000171732583 329079375 /nfs/dbraw/zinc/07/93/75/329079375.db2.gz VRRIMRNGLQHZPO-WDEREUQCSA-N 0 0 291.317 3.101 10 30 CGEERN C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1ccc(CC#N)cc1 ZINC000117581629 328941473 /nfs/dbraw/zinc/94/14/73/328941473.db2.gz YVPXIYLVABGDEK-SJCJKPOMSA-N 0 0 292.338 3.256 10 30 CGEERN C#CCC(C)(C)C(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000185703793 329330126 /nfs/dbraw/zinc/33/01/26/329330126.db2.gz AIWCPNAEWMOMCN-ZDUSSCGKSA-N 0 0 290.432 3.207 10 30 CGEERN CCCCCCCC(=O)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000188671553 329371772 /nfs/dbraw/zinc/37/17/72/329371772.db2.gz XLZWRKAHZWEUIO-MGPQQGTHSA-N 0 0 253.386 3.031 10 30 CGEERN C#CCOc1ccc(Cl)cc1CNCc1ccco1 ZINC000045945914 330350044 /nfs/dbraw/zinc/35/00/44/330350044.db2.gz YMGWLXOFBKFRAB-UHFFFAOYSA-N 0 0 275.735 3.235 10 30 CGEERN COCCNc1ccc(-c2cccc([N+](=O)[O-])c2)cc1C#N ZINC000536956385 330383125 /nfs/dbraw/zinc/38/31/25/330383125.db2.gz YYUHDHDSIGAVEG-UHFFFAOYSA-N 0 0 297.314 3.192 10 30 CGEERN C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000135025256 334112621 /nfs/dbraw/zinc/11/26/21/334112621.db2.gz GZRSQSCYXIIQRZ-RHSMWYFYSA-N 0 0 289.423 3.303 10 30 CGEERN C=C[C@@](C)(CC)C(=O)N1CCC[C@H]1c1c(C)nn(C)c1C ZINC000135025303 334112638 /nfs/dbraw/zinc/11/26/38/334112638.db2.gz GZRSQSCYXIIQRZ-YOEHRIQHSA-N 0 0 289.423 3.303 10 30 CGEERN CCC(C#N)(CC)NC(=O)c1ccc(Cl)s1 ZINC000051171939 521262273 /nfs/dbraw/zinc/26/22/73/521262273.db2.gz WWPSJVDAXLXJII-UHFFFAOYSA-N 0 0 256.758 3.214 10 30 CGEERN Cc1cnc([C@H](C)NC(=O)N2CCC[C@@H](C3CC3)C2)o1 ZINC000329259448 534629499 /nfs/dbraw/zinc/62/94/99/534629499.db2.gz ANLUPANJEIXRGT-WCQYABFASA-N 0 0 277.368 3.080 10 30 CGEERN Cc1cnc([C@H](C)NC(=O)N2CC3(CCC3)[C@H]2C(C)C)o1 ZINC000330238637 534629629 /nfs/dbraw/zinc/62/96/29/534629629.db2.gz ZXQXLGVGIYBPBK-QWHCGFSZSA-N 0 0 291.395 3.469 10 30 CGEERN COCCN(c1ccc(C#N)cc1Cl)[C@@H](C)C1CC1 ZINC000062793796 523782119 /nfs/dbraw/zinc/78/21/19/523782119.db2.gz ZLJWWHIXHORYPW-NSHDSACASA-N 0 0 278.783 3.463 10 30 CGEERN C[C@H](N(C)c1cccc(Cl)c1/C(N)=N/O)C(C)(C)C ZINC000052905797 524818199 /nfs/dbraw/zinc/81/81/99/524818199.db2.gz WJPOFUHIKCEVJX-VIFPVBQESA-N 0 0 283.803 3.305 10 30 CGEERN COc1ccc(OC)c(N[C@H]2CCCC[C@@H]2C#N)c1 ZINC000054823554 524870309 /nfs/dbraw/zinc/87/03/09/524870309.db2.gz YRHFBOVDDYETSN-YPMHNXCESA-N 0 0 260.337 3.198 10 30 CGEERN Cc1cc(F)ccc1[C@H](C#N)NCc1ccccc1 ZINC000050579509 525004780 /nfs/dbraw/zinc/00/47/80/525004780.db2.gz OTTGSAHIWLHATC-INIZCTEOSA-N 0 0 254.308 3.489 10 30 CGEERN N#Cc1c(Cl)cccc1Sc1nncs1 ZINC000052909211 526519524 /nfs/dbraw/zinc/51/95/24/526519524.db2.gz DWBQGGVPYJLBNX-UHFFFAOYSA-N 0 0 253.739 3.214 10 30 CGEERN N/C(=N/O)c1cc(Oc2cccc(Cl)c2Cl)ccn1 ZINC000061814014 526801638 /nfs/dbraw/zinc/80/16/38/526801638.db2.gz IXQXCMPWQPPHGX-UHFFFAOYSA-N 0 0 298.129 3.275 10 30 CGEERN C=CCCC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000115363683 527070013 /nfs/dbraw/zinc/07/00/13/527070013.db2.gz NOSXUGJXDBWHBN-LLVKDONJSA-N 0 0 250.367 3.163 10 30 CGEERN Cc1c(C#N)cccc1NS(=O)(=O)/C=C\c1ccccc1 ZINC000255065395 617895278 /nfs/dbraw/zinc/89/52/78/617895278.db2.gz XTWAFGKGPAVNQX-KHPPLWFESA-N 0 0 298.367 3.279 10 30 CGEERN C#CCC(C)(C)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000184964877 625284970 /nfs/dbraw/zinc/28/49/70/625284970.db2.gz LCDKXZNZUVCWDV-QWRGUYRKSA-N 0 0 275.314 3.273 10 30 CGEERN C[C@H](OC(=O)/C=C\c1ccccc1C#N)C1CCC1 ZINC000255768042 618787162 /nfs/dbraw/zinc/78/71/62/618787162.db2.gz HXBPVWKDSDVXBB-PRDAAYKISA-N 0 0 255.317 3.303 10 30 CGEERN C/N=C1\S/C(=C\c2ccc(OC(C)C)cc2)C(=O)N1C ZINC000096483540 618792995 /nfs/dbraw/zinc/79/29/95/618792995.db2.gz XZNNEQXHTSIFEE-JWFVMAOISA-N 0 0 290.388 3.006 10 30 CGEERN C#CCOc1ccc(F)cc1NC(=O)N[C@H](C)C(C)C ZINC000173800912 623343319 /nfs/dbraw/zinc/34/33/19/623343319.db2.gz JJUOOWJSVWSPHL-LLVKDONJSA-N 0 0 278.327 3.004 10 30 CGEERN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[C@H]1S ZINC000757162359 630587765 /nfs/dbraw/zinc/58/77/65/630587765.db2.gz CYEMTMZSLJVQQA-IJLUTSLNSA-N 0 0 271.426 3.484 10 30 CGEERN C#C[C@H](OC(=O)NC1CCCCC1)c1ccccc1 ZINC000757191694 630588593 /nfs/dbraw/zinc/58/85/93/630588593.db2.gz UDPCJEVCPHGKLH-HNNXBMFYSA-N 0 0 257.333 3.420 10 30 CGEERN C#CCOCCC(=O)N[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000158969788 640025540 /nfs/dbraw/zinc/02/55/40/640025540.db2.gz BKXWNTCZZHWLEU-HNNXBMFYSA-N 0 0 287.403 3.102 10 30 CGEERN C#CCOc1ccccc1NC(=O)N[C@H](C)c1ccc(C)o1 ZINC000188061503 640116895 /nfs/dbraw/zinc/11/68/95/640116895.db2.gz ZVMYCOQWNKSNDW-CYBMUJFWSA-N 0 0 298.342 3.483 10 30 CGEERN C#CCCCCCOC(=O)/C=C\c1ccnc(Cl)c1 ZINC000588404964 799688687 /nfs/dbraw/zinc/68/86/87/799688687.db2.gz FCVBAFGUVCSWJL-FPLPWBNLSA-N 0 0 277.751 3.485 10 30 CGEERN COc1ccc(O)cc1C(=O)/C=C\c1cccs1 ZINC000588410352 799689915 /nfs/dbraw/zinc/68/99/15/799689915.db2.gz IPSSAURXGARODK-WAYWQWQTSA-N 0 0 260.314 3.358 10 30 CGEERN C=CC[C@@H](CO)NC(=O)/C=C\c1ccc(C(C)(C)C)cc1 ZINC000588449700 799695948 /nfs/dbraw/zinc/69/59/48/799695948.db2.gz MENSZSLFMKOQMC-CKDIWJPDSA-N 0 0 287.403 3.051 10 30 CGEERN C=CCC[C@@H](C)OC(=O)/C=C\c1scnc1C ZINC000588521164 799705443 /nfs/dbraw/zinc/70/54/43/799705443.db2.gz HSLUYSDZCNSQGB-GQYWMQPJSA-N 0 0 251.351 3.363 10 30 CGEERN Cc1cc2c(cc1C)C(=O)/C(=C/c1cocn1)CCO2 ZINC000588579002 799716609 /nfs/dbraw/zinc/71/66/09/799716609.db2.gz JLFSRVHQBWOYMQ-KPKJPENVSA-N 0 0 269.300 3.340 10 30 CGEERN C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C(=O)[O-])c(C)[nH]1 ZINC000692228672 976407674 /nfs/dbraw/zinc/40/76/74/976407674.db2.gz ZBOYVQNRFKDQKJ-IUODEOHRSA-N 0 0 276.380 3.246 10 30 CGEERN O[C@@H](c1ccc(F)c(C(F)(F)F)c1)C(F)(F)F ZINC000095803116 185028203 /nfs/dbraw/zinc/02/82/03/185028203.db2.gz FZRPBDCOKQKDAF-ZETCQYMHSA-N 0 0 262.124 3.440 10 30 CGEERN O[C@H](c1ccc(F)c(C(F)(F)F)c1)C(F)(F)F ZINC000095803117 185028343 /nfs/dbraw/zinc/02/83/43/185028343.db2.gz FZRPBDCOKQKDAF-SSDOTTSWSA-N 0 0 262.124 3.440 10 30 CGEERN CO[C@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC000095829346 185028950 /nfs/dbraw/zinc/02/89/50/185028950.db2.gz SNZPDFWHTKMGBX-MRXNPFEDSA-N 0 0 253.301 3.477 10 30 CGEERN CCCC[C@@H](CC)CN=C(NC#N)Nc1cccnc1 ZINC000026577769 344907531 /nfs/dbraw/zinc/90/75/31/344907531.db2.gz OERBLOPYVWZMRH-CYBMUJFWSA-N 0 0 273.384 3.137 10 30 CGEERN CC(C)N[C@@H](C#N)c1cc(Br)cs1 ZINC000041677473 344972743 /nfs/dbraw/zinc/97/27/43/344972743.db2.gz ZVGYZNSUPHWRBR-QMMMGPOBSA-N 0 0 259.172 3.073 10 30 CGEERN N#Cc1ccccc1NC(=O)CCSCc1ccco1 ZINC000034938833 344941594 /nfs/dbraw/zinc/94/15/94/344941594.db2.gz MGMKKJTUELDKSP-UHFFFAOYSA-N 0 0 286.356 3.413 10 30 CGEERN C=C(Br)Cn1nc(C)c(Br)c1C ZINC000050594048 345084237 /nfs/dbraw/zinc/08/42/37/345084237.db2.gz AYYRDKORPCFIIF-UHFFFAOYSA-N 0 0 293.990 3.171 10 30 CGEERN O=C[C@@H]1CCCCN1Cc1csc(Br)c1 ZINC000054237319 345131283 /nfs/dbraw/zinc/13/12/83/345131283.db2.gz SJBUYPAJKWRQPE-JTQLQIEISA-N 0 0 288.210 3.064 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NCc1ccc(Br)s1 ZINC000054825858 345139303 /nfs/dbraw/zinc/13/93/03/345139303.db2.gz FDSNRSXJNRTDIB-WPRPVWTQSA-N 0 0 285.210 3.292 10 30 CGEERN O=C1C=CO[C@@H](c2ccc(Br)s2)C1 ZINC000069850289 345386235 /nfs/dbraw/zinc/38/62/35/345386235.db2.gz MGJAACLORSSQFX-SSDOTTSWSA-N 0 0 259.124 3.055 10 30 CGEERN CCCCCCN(C)c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000090440233 345787096 /nfs/dbraw/zinc/78/70/96/345787096.db2.gz MCZNCMPRXPCLLR-UHFFFAOYSA-N 0 0 261.325 3.483 10 30 CGEERN COc1cc(-c2cnccc2[C@@H](O)C2CC2)ccc1C#N ZINC000117052820 345981121 /nfs/dbraw/zinc/98/11/21/345981121.db2.gz ZBDAFPFUMDODLD-KRWDZBQOSA-N 0 0 280.327 3.072 10 30 CGEERN C#CC[C@](C)(O)c1ccc(Br)cc1Cl ZINC000135056517 346085691 /nfs/dbraw/zinc/08/56/91/346085691.db2.gz KBKHXSPSNSUKFR-NSHDSACASA-N 0 0 273.557 3.333 10 30 CGEERN C=C[C@H](C)[C@H](O)[C@@H](C)COCc1ccc(OC)cc1 ZINC000137043364 346092294 /nfs/dbraw/zinc/09/22/94/346092294.db2.gz PUCWQCSJBSKEMR-XEZPLFJOSA-N 0 0 264.365 3.031 10 30 CGEERN CO[C@@H](C#N)c1ccc(Cl)c(Br)c1 ZINC000137280457 346094105 /nfs/dbraw/zinc/09/41/05/346094105.db2.gz YNODUARLAXCMDB-VIFPVBQESA-N 0 0 260.518 3.314 10 30 CGEERN C#CCC[C@H](O)c1ccc(Br)c(C)c1 ZINC000162295203 346178597 /nfs/dbraw/zinc/17/85/97/346178597.db2.gz NOVNRMZVYJPGHD-LBPRGKRZSA-N 0 0 253.139 3.204 10 30 CGEERN CCC[C@@H](O)c1ccc(Br)c(C#N)c1 ZINC000205495695 346283185 /nfs/dbraw/zinc/28/31/85/346283185.db2.gz YYRBMVZMADKHOY-LLVKDONJSA-N 0 0 254.127 3.154 10 30 CGEERN CSc1ccc(C#CC(=O)c2cccc(O)c2)cc1 ZINC000225557410 346304855 /nfs/dbraw/zinc/30/48/55/346304855.db2.gz YAACLWDZEIIUND-UHFFFAOYSA-N 0 0 268.337 3.349 10 30 CGEERN O=C1c2ccc(OCc3ccccc3)cc2CC/C1=N\O ZINC000214166410 346287770 /nfs/dbraw/zinc/28/77/70/346287770.db2.gz GVGACIWUKRAHQH-FBMGVBCBSA-N 0 0 281.311 3.225 10 30 CGEERN N#CC1(c2cnc(C(F)F)nc2)CCC(F)(F)CC1 ZINC000217347412 346290692 /nfs/dbraw/zinc/29/06/92/346290692.db2.gz CPDRUPJIJLLBPU-UHFFFAOYSA-N 0 0 273.233 3.385 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NCc1ccc(F)cc1Cl ZINC000230686562 346321116 /nfs/dbraw/zinc/32/11/16/346321116.db2.gz BARULVJTHRAYIN-TVQRCGJNSA-N 0 0 252.720 3.261 10 30 CGEERN N#CCCCNc1c(F)cccc1Br ZINC000232126274 346324916 /nfs/dbraw/zinc/32/49/16/346324916.db2.gz LMAPHAKWWPJFNV-UHFFFAOYSA-N 0 0 257.106 3.304 10 30 CGEERN N#Cc1c(Cl)cc(Cl)cc1I ZINC000238575521 346350282 /nfs/dbraw/zinc/35/02/82/346350282.db2.gz RAUZNWLVUSCDOM-UHFFFAOYSA-N 0 0 297.910 3.470 10 30 CGEERN C[C@H](Nc1ncncc1C#N)c1ccccc1Cl ZINC000302538312 346441119 /nfs/dbraw/zinc/44/11/19/346441119.db2.gz IHKHAEOMBISVBU-VIFPVBQESA-N 0 0 258.712 3.175 10 30 CGEERN C#C[C@@](C)(CC)Oc1ncccc1Br ZINC000306569756 346455395 /nfs/dbraw/zinc/45/53/95/346455395.db2.gz XFLUMXOVBJERKM-NSHDSACASA-N 0 0 254.127 3.025 10 30 CGEERN C[C@@H](CC#N)C(=O)c1cccc(F)c1Br ZINC000307254402 346460666 /nfs/dbraw/zinc/46/06/66/346460666.db2.gz XTGYVMZUVPYJHF-ZETCQYMHSA-N 0 0 270.101 3.321 10 30 CGEERN N#CCc1ccc(N)c(C(F)(F)F)c1Br ZINC000396045707 346578922 /nfs/dbraw/zinc/57/89/22/346578922.db2.gz CHPKWYXYIADZCC-UHFFFAOYSA-N 0 0 279.059 3.116 10 30 CGEERN N#Cc1cc(C(F)(F)F)c(C(F)(F)F)cc1O ZINC000514260945 346635674 /nfs/dbraw/zinc/63/56/74/346635674.db2.gz QASXNILUPLJBGR-UHFFFAOYSA-N 0 0 255.117 3.301 10 30 CGEERN N#CCc1cnc(C(F)(F)F)c(C(F)(F)F)c1 ZINC000514263645 346636263 /nfs/dbraw/zinc/63/62/63/346636263.db2.gz QMMSWBAOSKYHRH-UHFFFAOYSA-N 0 0 254.133 3.185 10 30 CGEERN C=CCc1ccccc1O[C@H](C)C(=O)NCCCCC ZINC000584650971 346704572 /nfs/dbraw/zinc/70/45/72/346704572.db2.gz MHODSAAYLGAABS-CQSZACIVSA-N 0 0 275.392 3.489 10 30 CGEERN COc1ccc2c(c1OC)-c1ccccc1[C@@H]2C=O ZINC000584590470 346685804 /nfs/dbraw/zinc/68/58/04/346685804.db2.gz UOAPCYDFYFHJCB-ZDUSSCGKSA-N 0 0 254.285 3.015 10 30 CGEERN CC[C@@H]1C[C@@H](OCc2ccc(OC)cc2)C[C@H]1C=O ZINC000584603479 346690495 /nfs/dbraw/zinc/69/04/95/346690495.db2.gz YRFMRLRQDFIHQC-IJEWVQPXSA-N 0 0 262.349 3.216 10 30 CGEERN COC([O-])=C([N+]#N)C(=O)C=Cc1ccccc1Cl ZINC000584606476 346691308 /nfs/dbraw/zinc/69/13/08/346691308.db2.gz ZDJCKTFKDKBUQL-VOTSOKGWSA-O 0 0 265.676 3.149 10 30 CGEERN C=C(C(=O)OC)[C@H](C1CCCCC1)C(F)(F)F ZINC000584610889 346691948 /nfs/dbraw/zinc/69/19/48/346691948.db2.gz ZXEDTDATFOZCQS-SNVBAGLBSA-N 0 0 250.260 3.474 10 30 CGEERN COc1cnc(Oc2cccc(F)c2)c(C#N)c1C ZINC000584633559 346699702 /nfs/dbraw/zinc/69/97/02/346699702.db2.gz SJXBXOAYAZZNCX-UHFFFAOYSA-N 0 0 258.252 3.202 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1csc(C(F)(F)F)c1 ZINC000599630573 347760334 /nfs/dbraw/zinc/76/03/34/347760334.db2.gz SIMOYQUXEYTWPM-CBAPKCEASA-N 0 0 288.294 3.189 10 30 CGEERN CCOC(=O)C(Cl)=NNc1ccc(C(C)C)cc1 ZINC000606206195 348172753 /nfs/dbraw/zinc/17/27/53/348172753.db2.gz OAJLWJKMNZOECZ-UHFFFAOYSA-N 0 0 268.744 3.337 10 30 CGEERN N#Cc1cc(Br)ccc1N[C@H]1CCC[C@H](O)C1 ZINC000611918972 348480476 /nfs/dbraw/zinc/48/04/76/348480476.db2.gz BPZCTFYHDWTKDS-RYUDHWBXSA-N 0 0 295.180 3.036 10 30 CGEERN Cc1ccc([C@@H](C)Nc2c(C#N)c(C)nn2C)s1 ZINC000111350112 186403383 /nfs/dbraw/zinc/40/33/83/186403383.db2.gz COQJXILSGSMBAF-SNVBAGLBSA-N 0 0 260.366 3.143 10 30 CGEERN C=CCNC(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000173368496 188851920 /nfs/dbraw/zinc/85/19/20/188851920.db2.gz NACBTHJQBGPSNM-GFCCVEGCSA-N 0 0 293.436 3.342 10 30 CGEERN C[C@@H](Nc1cnn(-c2ncccc2C#N)c1)c1cccs1 ZINC000186018696 138438871 /nfs/dbraw/zinc/43/88/71/138438871.db2.gz FEYPEQVYQOWXHR-LLVKDONJSA-N 0 0 295.371 3.374 10 30 CGEERN C[C@H]1SCCN(c2ccc(F)cc2C#N)[C@@H]1C ZINC000078292237 291262099 /nfs/dbraw/zinc/26/20/99/291262099.db2.gz DBEMMAWGZVRVBK-NXEZZACHSA-N 0 0 250.342 3.028 10 30 CGEERN Cc1cnc(CCNc2snc(Cl)c2C#N)s1 ZINC000301447589 201011718 /nfs/dbraw/zinc/01/17/18/201011718.db2.gz WCLLGYZBFHJVPE-UHFFFAOYSA-N 0 0 284.797 3.088 10 30 CGEERN Cc1nc(CNc2ccc([N+](=O)[O-])cc2C#N)c(C)s1 ZINC000301821102 201217149 /nfs/dbraw/zinc/21/71/49/201217149.db2.gz BIMLZDMRHGKXTQ-UHFFFAOYSA-N 0 0 288.332 3.152 10 30 CGEERN COc1ccc(C#N)cc1CN1CCCC[C@H]1c1cn[nH]c1 ZINC000121824183 370899976 /nfs/dbraw/zinc/89/99/76/370899976.db2.gz NNZLQTAJHHMUKP-INIZCTEOSA-N 0 0 296.374 3.017 10 30 CGEERN N/C(=N\O)c1ccc(SCc2ccccc2)cc1 ZINC000019866374 368774404 /nfs/dbraw/zinc/77/44/04/368774404.db2.gz RLCKPDPAZDHATP-UHFFFAOYSA-N 0 0 258.346 3.073 10 30 CGEERN COC(=O)c1cc([C@@H]2CO2)ccc1OCc1ccccc1 ZINC000034263738 368974124 /nfs/dbraw/zinc/97/41/24/368974124.db2.gz FKYNBTFKFFFCFP-INIZCTEOSA-N 0 0 284.311 3.124 10 30 CGEERN C/C(=N/NC(=S)Nc1ccc(C)cc1)c1ccco1 ZINC000033319266 368962226 /nfs/dbraw/zinc/96/22/26/368962226.db2.gz ATHZVHCHMMAKGJ-WJDWOHSUSA-N 0 0 273.361 3.299 10 30 CGEERN S=C1N=NC(c2ccccc2)N1N=C1CCCC1 ZINC000048513420 369357224 /nfs/dbraw/zinc/35/72/24/369357224.db2.gz MDPQVOSGJZJJNK-UHFFFAOYSA-N 0 0 258.350 3.012 10 30 CGEERN COc1ccc([C@H](C)Nc2ccnc(C#N)c2)cc1OC ZINC000061811866 369607172 /nfs/dbraw/zinc/60/71/72/369607172.db2.gz KQFJKMDNURWKTA-NSHDSACASA-N 0 0 283.331 3.144 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)c1cccc2ccccc21 ZINC000061888863 369609485 /nfs/dbraw/zinc/60/94/85/369609485.db2.gz PRHCJOOQAWATFJ-CZUORRHYSA-N 0 0 264.328 3.262 10 30 CGEERN C=CCOc1ccc(CN[C@@H]2CCC[C@H]2C#N)cc1 ZINC000061891656 369610692 /nfs/dbraw/zinc/61/06/92/369610692.db2.gz HGEYXTOFJANDER-GOEBONIOSA-N 0 0 256.349 3.033 10 30 CGEERN Cc1[nH]c2ccc(C(=O)N[C@H]3CCC[C@@H]3C#N)cc2c1C ZINC000061890871 369610708 /nfs/dbraw/zinc/61/07/08/369610708.db2.gz MKKREKAMZMLCFZ-HIFRSBDPSA-N 0 0 281.359 3.207 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1ccc2ccccc2c1 ZINC000061889285 369611128 /nfs/dbraw/zinc/61/11/28/369611128.db2.gz VXSXGNSSBXEWSJ-JKSUJKDBSA-N 0 0 264.328 3.262 10 30 CGEERN CCOC(=O)[C@H](C#N)Cc1cccc(Cl)c1Cl ZINC000074468346 369879063 /nfs/dbraw/zinc/87/90/63/369879063.db2.gz GSOAUIULIQZAHG-VIFPVBQESA-N 0 0 272.131 3.239 10 30 CGEERN CC(=O)c1ccc(-c2ccc(CC=O)s2)s1 ZINC000089629958 370045277 /nfs/dbraw/zinc/04/52/77/370045277.db2.gz VMUQXLZRQUXGJA-UHFFFAOYSA-N 0 0 250.344 3.421 10 30 CGEERN N#Cc1cccc(-c2csc(Br)n2)c1 ZINC000097694421 370251887 /nfs/dbraw/zinc/25/18/87/370251887.db2.gz VZAVVCOLFVDVKK-UHFFFAOYSA-N 0 0 265.135 3.444 10 30 CGEERN C=CCn1c(C#N)cc(Br)c1Br ZINC000098178576 370267835 /nfs/dbraw/zinc/26/78/35/370267835.db2.gz WSXWBQCEAZPGKX-UHFFFAOYSA-N 0 0 289.958 3.071 10 30 CGEERN COc1cccc(/C=N/c2cc([N+](=O)[O-])ccc2F)c1 ZINC000100042301 370270436 /nfs/dbraw/zinc/27/04/36/370270436.db2.gz UCRMNYMISFJZKR-CXUHLZMHSA-N 0 0 274.251 3.493 10 30 CGEERN COc1cccc(/C=N/c2ccc(N(C)C(C)=O)cc2)c1 ZINC000100042245 370270494 /nfs/dbraw/zinc/27/04/94/370270494.db2.gz QWTDRZPKFDICOX-LDADJPATSA-N 0 0 282.343 3.429 10 30 CGEERN CC(C)OC(=O)C(Cl)=NNc1ccc(Cl)cc1 ZINC000100407083 370278022 /nfs/dbraw/zinc/27/80/22/370278022.db2.gz FHZSNRPPCJTSFR-GDNBJRDFSA-N 0 0 275.135 3.256 10 30 CGEERN C=C(Br)CN1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000105922089 370350482 /nfs/dbraw/zinc/35/04/82/370350482.db2.gz RSTHYLBTRRKXLF-GFCCVEGCSA-N 0 0 298.228 3.082 10 30 CGEERN N#CCC[C@@H](C#N)CN1CC=C(c2cccs2)CC1 ZINC000117945345 370602790 /nfs/dbraw/zinc/60/27/90/370602790.db2.gz BQDBJKBMZUIYJQ-ZDUSSCGKSA-N 0 0 271.389 3.281 10 30 CGEERN N#CC1(NC(=O)[C@H]2C[C@H]2C2CCCCC2)CCCC1 ZINC000119027334 370637706 /nfs/dbraw/zinc/63/77/06/370637706.db2.gz HXWLLVLVKULIRM-KBPBESRZSA-N 0 0 260.381 3.155 10 30 CGEERN C=C(C)CN1CCN(Cc2nc(-c3ccccc3)co2)CC1 ZINC000152882972 371731981 /nfs/dbraw/zinc/73/19/81/371731981.db2.gz QIPZFXPMPHZLFR-UHFFFAOYSA-N 0 0 297.402 3.035 10 30 CGEERN Cc1nnc(N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(C#N)c1C ZINC000298275301 373292747 /nfs/dbraw/zinc/29/27/47/373292747.db2.gz HTCLKSICRIIVCV-GHMZBOCLSA-N 0 0 298.312 3.498 10 30 CGEERN C=CCCCC(=O)N[C@H](C)COCc1ccccc1 ZINC000176009396 373547036 /nfs/dbraw/zinc/54/70/36/373547036.db2.gz HQFYXUBEBYVQIH-CQSZACIVSA-N 0 0 261.365 3.064 10 30 CGEERN N#Cc1ccc(N[C@H]2CCN(c3ccccc3)C2)c(F)c1 ZINC000301207887 373692292 /nfs/dbraw/zinc/69/22/92/373692292.db2.gz UKUJGVBHQTVMTI-AWEZNQCLSA-N 0 0 281.334 3.388 10 30 CGEERN Cc1csc(CN(C)c2c(F)cc(C#N)cc2F)n1 ZINC000301287075 373730698 /nfs/dbraw/zinc/73/06/98/373730698.db2.gz NGSNQZMZSKZQIU-UHFFFAOYSA-N 0 0 279.315 3.238 10 30 CGEERN Cc1csc([C@H]2CCCN(c3ccc(C)c(C#N)n3)C2)n1 ZINC000302613434 373907418 /nfs/dbraw/zinc/90/74/18/373907418.db2.gz FLZCRTQINUVGFU-ZDUSSCGKSA-N 0 0 298.415 3.411 10 30 CGEERN C[C@H]1C[C@H](C(=O)NC2(C#N)CCCC2)CC(C)(C)C1 ZINC000182625221 374300125 /nfs/dbraw/zinc/30/01/25/374300125.db2.gz XAIZZSNUWLVUMT-STQMWFEESA-N 0 0 262.397 3.401 10 30 CGEERN C[C@@H](C#N)CNC(=O)N[C@H]1c2ccccc2CCC1(C)C ZINC000182734545 374319002 /nfs/dbraw/zinc/31/90/02/374319002.db2.gz OKGOCGASCJBCKV-WFASDCNBSA-N 0 0 285.391 3.159 10 30 CGEERN CC(C)[C@H]1OCC[C@@H]1CNC(=O)C[C@@H]1CCCCC(=O)N1 ZINC000328672332 374375193 /nfs/dbraw/zinc/37/51/93/374375193.db2.gz OCEIKJCAOSGFCH-DVOMOZLQSA-N 0 0 296.411 3.293 10 30 CGEERN CC(C)[C@@H](C)NC(=O)NC[C@H]1CCO[C@@H]1c1ccccc1 ZINC000328624372 374370773 /nfs/dbraw/zinc/37/07/73/374370773.db2.gz JUTPALSTBBCXOL-FVQBIDKESA-N 0 0 290.407 3.312 10 30 CGEERN CC(C)[C@H]1OCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC000328615453 374371162 /nfs/dbraw/zinc/37/11/62/374371162.db2.gz YLPIRFVBNGTZNV-RGCMKSIDSA-N 0 0 277.364 3.401 10 30 CGEERN Cc1ncc(C(=O)NC[C@@H]2C[C@H]2C2CCCCC2)[nH]1 ZINC000329318375 374404082 /nfs/dbraw/zinc/40/40/82/374404082.db2.gz IECGVMHHTAPLSX-STQMWFEESA-N 0 0 261.369 3.239 10 30 CGEERN CC[C@@H]1CC[C@H](C)N1C(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328716141 374377416 /nfs/dbraw/zinc/37/74/16/374377416.db2.gz TWFRUJZVTBBAJM-YNEHKIRRSA-N 0 0 293.411 3.205 10 30 CGEERN CC1(C)CCC[C@@H]1NC(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328737358 374379378 /nfs/dbraw/zinc/37/93/78/374379378.db2.gz KEAHBNSXNDJZQH-NWDGAFQWSA-N 0 0 293.411 3.110 10 30 CGEERN C=C(C)C[C@@H](C)C(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000185561060 374688475 /nfs/dbraw/zinc/68/84/75/374688475.db2.gz UDYUMVLRVSGEGL-TZMCWYRMSA-N 0 0 261.369 3.066 10 30 CGEERN N#Cc1cc(Cl)ccc1CN1CCO[C@H]2CCCC[C@@H]21 ZINC000186682487 374898772 /nfs/dbraw/zinc/89/87/72/374898772.db2.gz VKGBQPFDLCFZGO-HOTGVXAUSA-N 0 0 290.794 3.355 10 30 CGEERN C#CCCCCC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000187110483 374974048 /nfs/dbraw/zinc/97/40/48/374974048.db2.gz SEMUHXASGPCEHA-AWEZNQCLSA-N 0 0 276.405 3.309 10 30 CGEERN C=CCCCCCSCc1nnnn1C(C)C ZINC000192541380 375762332 /nfs/dbraw/zinc/76/23/32/375762332.db2.gz KKXVLNNFKKSMFT-UHFFFAOYSA-N 0 0 254.403 3.234 10 30 CGEERN N#Cc1c(F)cccc1NCC[C@H]1C(=O)Nc2ccccc21 ZINC000195333328 376098261 /nfs/dbraw/zinc/09/82/61/376098261.db2.gz WHXYMHQBUUVYRR-GFCCVEGCSA-N 0 0 295.317 3.235 10 30 CGEERN C=CCN(C/C(=N\O)c1ccccc1)C(=O)OC(C)(C)C ZINC000215970758 376154049 /nfs/dbraw/zinc/15/40/49/376154049.db2.gz DWHBSKHXLDKHKH-SAPNQHFASA-N 0 0 290.363 3.288 10 30 CGEERN CC(C)(C)[S@](=O)/N=C\c1ccc(F)c(Cl)c1 ZINC000216608109 376165966 /nfs/dbraw/zinc/16/59/66/376165966.db2.gz GUDLTDKMESOPIZ-VFXTVZEFSA-N 0 0 261.749 3.360 10 30 CGEERN N#Cc1cc2c(nc1NCC1(C3CC3)CC1)CCCC2 ZINC000231630841 376559372 /nfs/dbraw/zinc/55/93/72/376559372.db2.gz PASKMFNFNSXNOV-UHFFFAOYSA-N 0 0 267.376 3.434 10 30 CGEERN CC#CCCN1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000248390503 377304269 /nfs/dbraw/zinc/30/42/69/377304269.db2.gz IFNJZAJHJPXNCS-XJKSGUPXSA-N 0 0 261.340 3.001 10 30 CGEERN Fc1cccc(Cl)c1CON=C1CCCc2nonc21 ZINC000254876919 377714974 /nfs/dbraw/zinc/71/49/74/377714974.db2.gz QXONGXTUJSXYKK-UHFFFAOYSA-N 0 0 295.701 3.119 10 30 CGEERN N#Cc1ccc(C(F)(F)F)c(N)c1C(F)(F)F ZINC000575340776 377882562 /nfs/dbraw/zinc/88/25/62/377882562.db2.gz CBNOMZZAKHCPMY-UHFFFAOYSA-N 0 0 254.133 3.178 10 30 CGEERN COC(=O)c1c(C#N)c(C(F)(F)F)ccc1C(F)F ZINC000575344186 377883832 /nfs/dbraw/zinc/88/38/32/377883832.db2.gz UBKAERGLHLOQBE-UHFFFAOYSA-N 0 0 279.164 3.301 10 30 CGEERN CCOC(=O)c1cc(F)c(SC(F)(F)F)c(C#N)c1 ZINC000575390719 377899484 /nfs/dbraw/zinc/89/94/84/377899484.db2.gz UCCXBJZZHGFYOY-UHFFFAOYSA-N 0 0 293.241 3.486 10 30 CGEERN CCOC(=O)c1cc(F)cc(SC(F)(F)F)c1C#N ZINC000575390744 377899548 /nfs/dbraw/zinc/89/95/48/377899548.db2.gz XGGHRAHJPAYEEC-UHFFFAOYSA-N 0 0 293.241 3.486 10 30 CGEERN CCOC(=O)Cc1cc(C(F)(F)F)c(Cl)cc1C#N ZINC000575383534 377894992 /nfs/dbraw/zinc/89/49/92/377894992.db2.gz ZALVMUOLFKSLFN-UHFFFAOYSA-N 0 0 291.656 3.336 10 30 CGEERN COC(=O)Cc1c(C#N)ccc(C(F)F)c1C(F)(F)F ZINC000575387034 377896081 /nfs/dbraw/zinc/89/60/81/377896081.db2.gz FCMZXPTYCXIVSG-UHFFFAOYSA-N 0 0 293.191 3.230 10 30 CGEERN CCc1cc(CC#N)c(OC(F)(F)F)cc1C#N ZINC000575645713 377925997 /nfs/dbraw/zinc/92/59/97/377925997.db2.gz CYFBSCIUJJUZPH-UHFFFAOYSA-N 0 0 254.211 3.085 10 30 CGEERN CCc1cc(OC(F)(F)F)cc(C#N)c1CC#N ZINC000575650412 377928726 /nfs/dbraw/zinc/92/87/26/377928726.db2.gz WLDGBTIFSHAHED-UHFFFAOYSA-N 0 0 254.211 3.085 10 30 CGEERN N#Cc1cc(OC(F)F)cc([N+](=O)[O-])c1C(F)(F)F ZINC000575666859 377944184 /nfs/dbraw/zinc/94/41/84/377944184.db2.gz LWBUBTFDCGBQHQ-UHFFFAOYSA-N 0 0 282.124 3.087 10 30 CGEERN CCOc1cc(CC)cc(OC(F)(F)F)c1C#N ZINC000575672101 377948440 /nfs/dbraw/zinc/94/84/40/377948440.db2.gz VPFSIISIKDGTOZ-UHFFFAOYSA-N 0 0 259.227 3.418 10 30 CGEERN Cc1cc(C#N)cc(OC(F)F)c1Br ZINC000575682815 377957071 /nfs/dbraw/zinc/95/70/71/377957071.db2.gz CXGSSBYWDHNDRY-UHFFFAOYSA-N 0 0 262.053 3.231 10 30 CGEERN COc1ccc(CC#N)c(Br)c1Cl ZINC000575674143 377949580 /nfs/dbraw/zinc/94/95/80/377949580.db2.gz MJNQTLXNZCODAF-UHFFFAOYSA-N 0 0 260.518 3.177 10 30 CGEERN N#Cc1c(F)ccc(Br)c1OC(F)F ZINC000575680027 377953495 /nfs/dbraw/zinc/95/34/95/377953495.db2.gz IMLLFSCPNCEZQN-UHFFFAOYSA-N 0 0 266.016 3.061 10 30 CGEERN N#Cc1cc(Br)c(F)cc1OC(F)F ZINC000575679968 377953878 /nfs/dbraw/zinc/95/38/78/377953878.db2.gz HBAXTMOLHDESNR-UHFFFAOYSA-N 0 0 266.016 3.061 10 30 CGEERN N#CCc1ccc(F)c(Br)c1OC(F)F ZINC000575680301 377954043 /nfs/dbraw/zinc/95/40/43/377954043.db2.gz MCJBJDAODCQCRD-UHFFFAOYSA-N 0 0 280.043 3.256 10 30 CGEERN CCOC(=O)c1c(C)ccc(C#N)c1C(F)(F)F ZINC000575394661 377902268 /nfs/dbraw/zinc/90/22/68/377902268.db2.gz ITHJIRQDOHHCFZ-UHFFFAOYSA-N 0 0 257.211 3.062 10 30 CGEERN COC(=O)c1cc(C#N)c(SC(F)(F)F)cc1C ZINC000575395281 377902302 /nfs/dbraw/zinc/90/23/02/377902302.db2.gz WHAZFXXEBKPQML-UHFFFAOYSA-N 0 0 275.251 3.265 10 30 CGEERN COC(=O)c1ccc(SC(F)(F)F)c(C#N)c1C ZINC000575394387 377902342 /nfs/dbraw/zinc/90/23/42/377902342.db2.gz GOKYXBFCGQFWFP-UHFFFAOYSA-N 0 0 275.251 3.265 10 30 CGEERN COC(=O)c1cc(C)cc(SC(F)(F)F)c1C#N ZINC000575394352 377902572 /nfs/dbraw/zinc/90/25/72/377902572.db2.gz FEJMQTOBPGYQGX-UHFFFAOYSA-N 0 0 275.251 3.265 10 30 CGEERN CCOC(=O)c1cc(C(F)(F)F)c(C#N)cc1C ZINC000575395311 377902679 /nfs/dbraw/zinc/90/26/79/377902679.db2.gz XNOBQKIFFFVJMR-UHFFFAOYSA-N 0 0 257.211 3.062 10 30 CGEERN CCOC(=O)c1cc(C#N)c(C)c(C(F)(F)F)c1 ZINC000575395277 377902704 /nfs/dbraw/zinc/90/27/04/377902704.db2.gz VZFBPLRRGQZNGG-UHFFFAOYSA-N 0 0 257.211 3.062 10 30 CGEERN COC(=O)Cc1cc(C#N)c(C)c(SC(F)(F)F)c1 ZINC000575395563 377904012 /nfs/dbraw/zinc/90/40/12/377904012.db2.gz HNOGRZLVVNCSII-UHFFFAOYSA-N 0 0 289.278 3.194 10 30 CGEERN Cc1c(Br)cc(OC(F)F)cc1C#N ZINC000575684410 377958951 /nfs/dbraw/zinc/95/89/51/377958951.db2.gz VEAOFOHRHIKPGR-UHFFFAOYSA-N 0 0 262.053 3.231 10 30 CGEERN N#CCc1c(O)ccc(C(F)F)c1Br ZINC000575684768 377959307 /nfs/dbraw/zinc/95/93/07/377959307.db2.gz HVGIESHECFQJNK-UHFFFAOYSA-N 0 0 262.053 3.158 10 30 CGEERN N#CCc1cc(C(F)F)cc(Br)c1O ZINC000575685250 377960184 /nfs/dbraw/zinc/96/01/84/377960184.db2.gz KAJMROJLRHGYOT-UHFFFAOYSA-N 0 0 262.053 3.158 10 30 CGEERN N#Cc1c(F)ccc(OC(F)(F)F)c1Br ZINC000575689518 377964331 /nfs/dbraw/zinc/96/43/31/377964331.db2.gz QCIJHYZHRNHYMD-UHFFFAOYSA-N 0 0 284.006 3.358 10 30 CGEERN N#Cc1cc(Cl)c(Cl)cc1I ZINC000575695162 377969207 /nfs/dbraw/zinc/96/92/07/377969207.db2.gz QSRYFHFZZLBUBS-UHFFFAOYSA-N 0 0 297.910 3.470 10 30 CGEERN N#Cc1cc([N+](=O)[O-])cc(Cl)c1C(F)(F)F ZINC000575694696 377969220 /nfs/dbraw/zinc/96/92/20/377969220.db2.gz LYEDOJSSLWXXTF-UHFFFAOYSA-N 0 0 250.563 3.139 10 30 CGEERN Oc1c(OC(F)(F)F)cc(F)cc1C(F)(F)F ZINC000575704279 377976939 /nfs/dbraw/zinc/97/69/39/377976939.db2.gz ODLPCJGBRKWRKP-UHFFFAOYSA-N 0 0 264.096 3.449 10 30 CGEERN Cc1cc2[nH]c(C(=O)N[C@@H]3CCC[C@@H]3C#N)cc2c(C)c1 ZINC000408332667 380006160 /nfs/dbraw/zinc/00/61/60/380006160.db2.gz YGQUITYHAZYLAI-TZMCWYRMSA-N 0 0 281.359 3.207 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)CSc1ccccc1Cl ZINC000359669899 381360944 /nfs/dbraw/zinc/36/09/44/381360944.db2.gz DXEWUNACMLHNRQ-CMPLNLGQSA-N 0 0 294.807 3.241 10 30 CGEERN C/C(=C\N(C)C)C(=O)c1cccc(Br)c1 ZINC000308775096 542423687 /nfs/dbraw/zinc/42/36/87/542423687.db2.gz HGQPRZRKFNJDDE-CMDGGOBGSA-N 0 0 268.154 3.097 10 30 CGEERN C[C@H](C[C@@H]1CCCO1)NC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000328680568 542444351 /nfs/dbraw/zinc/44/43/51/542444351.db2.gz CBAQOJYHYWDAEL-YYJFMHSASA-N 0 0 293.407 3.296 10 30 CGEERN C[C@@H]1OCC[C@@H]1NC(=O)NCc1csc2ccccc12 ZINC000328914753 542445157 /nfs/dbraw/zinc/44/51/57/542445157.db2.gz JCWWPLOGMMBWKH-GWCFXTLKSA-N 0 0 290.388 3.082 10 30 CGEERN O=C(Nc1cc2c(cc1Cl)OCO2)N1C[C@@H]2CCC[C@H]21 ZINC000328891590 542445382 /nfs/dbraw/zinc/44/53/82/542445382.db2.gz SRWWQWBZHLHDDB-GZMMTYOYSA-N 0 0 294.738 3.099 10 30 CGEERN Cc1cnc([C@H](C)NC(=O)c2oc(C3CC3)nc2C)o1 ZINC000329578226 542447628 /nfs/dbraw/zinc/44/76/28/542447628.db2.gz OZTBBDRAZYVGGZ-VIFPVBQESA-N 0 0 275.308 3.223 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)N[C@@H]1CCCCC12CCCC2 ZINC000332909906 542451738 /nfs/dbraw/zinc/45/17/38/542451738.db2.gz XDWNAPGEWHBMEN-RRFJBIMHSA-N 0 0 289.423 3.481 10 30 CGEERN C=C(C)CS(=O)(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000189548502 129989857 /nfs/dbraw/zinc/98/98/57/129989857.db2.gz CRCMQQGXAQPNAJ-SECBINFHSA-N 0 0 291.775 3.036 10 30 CGEERN C=CCCCC(=O)[C@H](C)NC(=O)OCc1ccccc1 ZINC000406102222 542628183 /nfs/dbraw/zinc/62/81/83/542628183.db2.gz LIASNWPSCNQPER-ZDUSSCGKSA-N 0 0 275.348 3.227 10 30 CGEERN CN1CCC/C1=N/C(=O)Nc1cccc2ccccc21 ZINC000201823351 392980912 /nfs/dbraw/zinc/98/09/12/392980912.db2.gz YKFUDSVNZVOAOG-SDXDJHTJSA-N 0 0 267.332 3.496 10 30 CGEERN Cc1cnc([C@H](C)NCc2ccc(C#N)cc2Cl)o1 ZINC000221122349 393006498 /nfs/dbraw/zinc/00/64/98/393006498.db2.gz SSHOWMCHHXGYJM-JTQLQIEISA-N 0 0 275.739 3.359 10 30 CGEERN Cc1nn(C[C@H]2C[C@H]2c2ccccc2)c(C)c1C#N ZINC000575602627 393201781 /nfs/dbraw/zinc/20/17/81/393201781.db2.gz RGCVVAITUNPWAJ-CABCVRRESA-N 0 0 251.333 3.175 10 30 CGEERN CCOC(=O)C#Cc1cc(Br)ccc1Cl ZINC000675078977 543313533 /nfs/dbraw/zinc/31/35/33/543313533.db2.gz ONXDZNNPOOBUQO-UHFFFAOYSA-N 0 0 287.540 3.017 10 30 CGEERN COc1ccc2c(c1)CCC[C@]2(C#N)NC1CCCC1 ZINC000037968523 286395250 /nfs/dbraw/zinc/39/52/50/286395250.db2.gz PJRHMEJWJUPOAM-QGZVFWFLSA-N 0 0 270.376 3.283 10 30 CGEERN Fc1cccc(CN=Nc2nncc3ccccc32)c1 ZINC000005119696 170068134 /nfs/dbraw/zinc/06/81/34/170068134.db2.gz LPRBFSCGWYSGQM-RQZCQDPDSA-N 0 0 266.279 3.215 10 30 CGEERN CSc1ccc(CN=Nc2nc(C)cc(C)n2)cc1 ZINC000005158193 170071581 /nfs/dbraw/zinc/07/15/81/170071581.db2.gz QWNRYZYWGOKQJD-OQLLNIDSSA-N 0 0 272.377 3.261 10 30 CGEERN CC(=[NH+][N-]c1ccccc1[N+](=O)[O-])c1ccc(N)cc1 ZINC000005260658 170080976 /nfs/dbraw/zinc/08/09/76/170080976.db2.gz XBMOUFVOGXLWIM-MHWRWJLKSA-N 0 0 270.292 3.013 10 30 CGEERN CC(=NN=c1[nH]c2ccccc2[nH]1)c1ccc(C)o1 ZINC000005695129 170130011 /nfs/dbraw/zinc/13/00/11/170130011.db2.gz FXIHHVGINKNRKU-LICLKQGHSA-N 0 0 254.293 3.300 10 30 CGEERN C/C(=N\OCc1ccc(C#N)cc1)c1ccccc1 ZINC000005843045 170146858 /nfs/dbraw/zinc/14/68/58/170146858.db2.gz QXBFQXJFASIPBO-QGOAFFKASA-N 0 0 250.301 3.499 10 30 CGEERN COc1ccc(/C=C/C(=O)c2cc(C#N)c(C)nc2C)cc1 ZINC000005921444 170155508 /nfs/dbraw/zinc/15/55/08/170155508.db2.gz PVENJAGSBFRUEM-RMKNXTFCSA-N 0 0 292.338 3.475 10 30 CGEERN CC[C@H](C#N)C(O)(c1ccccc1)c1ccccc1 ZINC000005924264 170155975 /nfs/dbraw/zinc/15/59/75/170155975.db2.gz ZDTPCZLGZKXXGW-CQSZACIVSA-N 0 0 251.329 3.472 10 30 CGEERN COc1ccc(-c2ccc(/C=C/C(C)=O)o2)c([N+](=O)[O-])c1 ZINC000006820530 170246652 /nfs/dbraw/zinc/24/66/52/170246652.db2.gz JITOISVBEMDBNM-ONEGZZNKSA-N 0 0 287.271 3.466 10 30 CGEERN Cc1cc(CN=Nc2oc(C(C)C)nc2C#N)cc(C)c1O ZINC000006825864 170246904 /nfs/dbraw/zinc/24/69/04/170246904.db2.gz ZRHOWYKOEGEZEY-QGMBQPNBSA-N 0 0 298.346 3.438 10 30 CGEERN C#CCn1c2ccccc2nc1Cc1cccs1 ZINC000008786987 170356064 /nfs/dbraw/zinc/35/60/64/170356064.db2.gz CRAMDKUAWNILSX-UHFFFAOYSA-N 0 0 252.342 3.322 10 30 CGEERN O=S(=O)(/N=C(/Cl)c1ccccc1F)c1ccccc1 ZINC000010149174 170398434 /nfs/dbraw/zinc/39/84/34/170398434.db2.gz XJMXJGCUTAZWJE-DTQAZKPQSA-N 0 0 297.738 3.200 10 30 CGEERN C=C(C(=O)OCC)[C@H](O)c1ccc(Cl)cc1Cl ZINC000019836059 170884744 /nfs/dbraw/zinc/88/47/44/170884744.db2.gz VCOVRIRJUVQYAG-NSHDSACASA-N 0 0 275.131 3.146 10 30 CGEERN COc1ccc([C@@H](C#N)NC2CCCCC2)cc1OC ZINC000020175490 171041716 /nfs/dbraw/zinc/04/17/16/171041716.db2.gz QFKWXTOTFVPTPR-CQSZACIVSA-N 0 0 274.364 3.191 10 30 CGEERN COc1ccc(OC)c([C@@H](C#N)NC2CCCCC2)c1 ZINC000020175875 171042445 /nfs/dbraw/zinc/04/24/45/171042445.db2.gz JIAAKEOMSRAQFO-OAHLLOKOSA-N 0 0 274.364 3.191 10 30 CGEERN COc1cccc([C@H](C#N)NCc2ccccc2)c1OC ZINC000020176925 171042680 /nfs/dbraw/zinc/04/26/80/171042680.db2.gz KDGADPMJSNQHPZ-HNNXBMFYSA-N 0 0 282.343 3.058 10 30 CGEERN C=CCn1c(SCc2ccncc2)nnc1C(C)(C)C ZINC000020839024 171275522 /nfs/dbraw/zinc/27/55/22/171275522.db2.gz KBSPMCMYPVXLFJ-UHFFFAOYSA-N 0 0 288.420 3.449 10 30 CGEERN Cc1ccc(N[C@H](C)CC#N)cc1Br ZINC000032107768 171699459 /nfs/dbraw/zinc/69/94/59/171699459.db2.gz PXVLTSQHTPQFKL-SECBINFHSA-N 0 0 253.143 3.472 10 30 CGEERN COc1cc(OC)cc(Oc2ccc(C#N)cc2)c1 ZINC000035248125 172078836 /nfs/dbraw/zinc/07/88/36/172078836.db2.gz DFCZDQUZOUPASH-UHFFFAOYSA-N 0 0 255.273 3.368 10 30 CGEERN N#Cc1ccc(NCc2ccc([N+](=O)[O-])o2)cc1Cl ZINC000037253292 173064758 /nfs/dbraw/zinc/06/47/58/173064758.db2.gz RSPYTWHQEKAJKS-UHFFFAOYSA-N 0 0 277.667 3.325 10 30 CGEERN C#CCOCc1cc2ccc(OC)cc2nc1Cl ZINC000037758297 173682827 /nfs/dbraw/zinc/68/28/27/173682827.db2.gz XHRQHPODLXEABT-UHFFFAOYSA-N 0 0 261.708 3.047 10 30 CGEERN N#C[C@@]1(N2CCCCCC2)CCc2ccccc2C1 ZINC000038086298 174097782 /nfs/dbraw/zinc/09/77/82/174097782.db2.gz SFFDDYQGPSWVPS-QGZVFWFLSA-N 0 0 254.377 3.314 10 30 CGEERN C=C(C)Cn1c2cc(C)c(C)cc2nc1CCCO ZINC000040310933 174230315 /nfs/dbraw/zinc/23/03/15/174230315.db2.gz AGWRJWVGBUQZDH-UHFFFAOYSA-N 0 0 258.365 3.154 10 30 CGEERN COc1ccc([C@@H](C)Nc2ncccc2C#N)cc1OC ZINC000040444502 174264338 /nfs/dbraw/zinc/26/43/38/174264338.db2.gz NUKMPYZKHLSHEZ-LLVKDONJSA-N 0 0 283.331 3.144 10 30 CGEERN CC(C)N(CCC#N)c1ccc(N)cc1C(F)(F)F ZINC000042528887 174779175 /nfs/dbraw/zinc/77/91/75/174779175.db2.gz PAJPGAFQLXCCFW-UHFFFAOYSA-N 0 0 271.286 3.416 10 30 CGEERN CC[C@H]1CCCCN1C(=O)[C@@H](C)Oc1cccc(C#N)c1 ZINC000043463391 175051933 /nfs/dbraw/zinc/05/19/33/175051933.db2.gz YZGDWKLWUQJCGD-HIFRSBDPSA-N 0 0 286.375 3.117 10 30 CGEERN CCCCCCCCCCCCCCNS(N)(=O)=O ZINC000043544010 175064346 /nfs/dbraw/zinc/06/43/46/175064346.db2.gz JOIWCMGHYSKFDD-UHFFFAOYSA-N 0 0 292.489 3.481 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000329696493 227883084 /nfs/dbraw/zinc/88/30/84/227883084.db2.gz BVZPCCJMXHWULH-LOPNKKAKSA-N 0 0 287.407 3.007 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000333751924 228212447 /nfs/dbraw/zinc/21/24/47/228212447.db2.gz ZQVHMZIEOFIFIC-SQWLQELKSA-N 0 0 299.374 3.004 10 30 CGEERN N#C[C@@]1(c2nc([C@H]3CCCS3)no2)CC12CCCC2 ZINC000333229681 260036445 /nfs/dbraw/zinc/03/64/45/260036445.db2.gz XWTDIQQQBMDOBT-QMTHXVAHSA-N 0 0 275.377 3.363 10 30 CGEERN C[C@H](NC(=O)C1(C#N)CCC1)c1cccc(Cl)c1 ZINC000083794990 260356270 /nfs/dbraw/zinc/35/62/70/260356270.db2.gz DEIRWGMCTYCBJM-JTQLQIEISA-N 0 0 262.740 3.211 10 30 CGEERN CC(C)[C@@H]1CCCC[C@H]1NC(=O)N1CCC(C#N)CC1 ZINC000105244625 261307980 /nfs/dbraw/zinc/30/79/80/261307980.db2.gz IMEQNUMCQQMPOF-LSDHHAIUSA-N 0 0 277.412 3.146 10 30 CGEERN C=C(C)C[C@H](C)C(=O)N1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000366195888 262570736 /nfs/dbraw/zinc/57/07/36/262570736.db2.gz WQWCGCYZAGGULE-ZMSDIMECSA-N 0 0 290.407 3.043 10 30 CGEERN Cc1nc(CCNC(=O)C[C@@H]2CCCCNC2=O)cs1 ZINC000328787597 263871753 /nfs/dbraw/zinc/87/17/53/263871753.db2.gz PAUPDLGGWXKAAC-NSHDSACASA-N 0 0 295.408 3.097 10 30 CGEERN C#CCC(C)(C)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000185859229 277669303 /nfs/dbraw/zinc/66/93/03/277669303.db2.gz FROQKAJRQNCGQK-CQSZACIVSA-N 0 0 285.387 3.455 10 30 CGEERN C[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(C#N)n2)[C@@H]1C ZINC000300171957 278502007 /nfs/dbraw/zinc/50/20/07/278502007.db2.gz CUFIRMBDELZZEK-GMTAPVOTSA-N 0 0 274.324 3.098 10 30 CGEERN N[C@@H](c1cc(F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000072190843 295295799 /nfs/dbraw/zinc/29/57/99/295295799.db2.gz LCFXZDCXFDPUJV-ZETCQYMHSA-N 0 0 261.140 3.407 10 30 CGEERN C[C@@H]1C[C@@H](C(=O)Nc2ccn(CCC#N)n2)CC(C)(C)C1 ZINC000180634215 327806610 /nfs/dbraw/zinc/80/66/10/327806610.db2.gz LWVUHGFQJIDJPL-CHWSQXEVSA-N 0 0 288.395 3.198 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NCc1cccc(C(F)(F)F)c1 ZINC000054823379 327905279 /nfs/dbraw/zinc/90/52/79/327905279.db2.gz ARKOGSGQHFRVPX-WCQYABFASA-N 0 0 268.282 3.487 10 30 CGEERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)N(CC#N)c1ccccc1 ZINC000172064954 329080699 /nfs/dbraw/zinc/08/06/99/329080699.db2.gz SRLMDWYTJSGUCU-DYVFJYSZSA-N 0 0 292.338 3.108 10 30 CGEERN C=CCCOCCNC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000180551600 329220753 /nfs/dbraw/zinc/22/07/53/329220753.db2.gz SFBRNSRQSUPLFX-KGLIPLIRSA-N 0 0 267.413 3.158 10 30 CGEERN C=C(C)CN(CC)C(=O)N[C@H]1CCOc2c(C)cccc21 ZINC000188565234 329369999 /nfs/dbraw/zinc/36/99/99/329369999.db2.gz FJRMPTZEVHZMSP-HNNXBMFYSA-N 0 0 288.391 3.426 10 30 CGEERN C#CCCCC(=O)N1CC=C(c2ccccc2)CC1 ZINC000192060570 329426098 /nfs/dbraw/zinc/42/60/98/329426098.db2.gz KIQTWWFZLRIRJD-UHFFFAOYSA-N 0 0 253.345 3.106 10 30 CGEERN Cc1ccc([C@H]2CN(CC#Cc3ccccc3)CCO2)o1 ZINC000192130358 329429064 /nfs/dbraw/zinc/42/90/64/329429064.db2.gz DMHIFZMRYPYTFG-GOSISDBHSA-N 0 0 281.355 3.013 10 30 CGEERN C[C@@H](C#N)N1CCC(c2nc3ccccc3s2)CC1 ZINC000038608195 329551825 /nfs/dbraw/zinc/55/18/25/329551825.db2.gz GYRYQUGEBNNMIH-NSHDSACASA-N 0 0 271.389 3.388 10 30 CGEERN N#C[C@]1(c2ccc(Br)cc2)CCCOC1 ZINC000536950270 330382233 /nfs/dbraw/zinc/38/22/33/330382233.db2.gz OFWXDGMOWXPNOA-GFCCVEGCSA-N 0 0 266.138 3.021 10 30 CGEERN C=C(Br)CNc1nccc2oc(C)cc21 ZINC000166054685 331306551 /nfs/dbraw/zinc/30/65/51/331306551.db2.gz IBGSGRYZIIMZAS-UHFFFAOYSA-N 0 0 267.126 3.457 10 30 CGEERN C=CCN(CC1CCCCC1)C(=O)[C@H]1CCCO[C@@H]1C ZINC000191630990 333222480 /nfs/dbraw/zinc/22/24/80/333222480.db2.gz LYJNBCWBLDCESQ-ZBFHGGJFSA-N 0 0 279.424 3.396 10 30 CGEERN C=CCCC(=O)N[C@H](C(=O)OCC)c1ccc(Cl)cc1 ZINC000193871955 333259966 /nfs/dbraw/zinc/25/99/66/333259966.db2.gz UFCBDSOJSAJRJM-AWEZNQCLSA-N 0 0 295.766 3.027 10 30 CGEERN C=CCSCCNC(=O)N[C@@H](C)c1ccccc1C ZINC000194637146 333274287 /nfs/dbraw/zinc/27/42/87/333274287.db2.gz GDMJKCXUXSPAIJ-ZDUSSCGKSA-N 0 0 278.421 3.274 10 30 CGEERN C=CCOc1cc(OC)ccc1C(=O)N[C@@H](C)C(C)C ZINC000124817179 333561731 /nfs/dbraw/zinc/56/17/31/333561731.db2.gz HPEMQTSTZIMNGA-LBPRGKRZSA-N 0 0 277.364 3.034 10 30 CGEERN C[C@H](CC1CCCCC1)NC(=O)N1CCCNC(=O)[C@@H]1C ZINC000330234331 533774765 /nfs/dbraw/zinc/77/47/65/533774765.db2.gz SMURKUZBXABHSS-OLZOCXBDSA-N 0 0 295.427 3.310 10 30 CGEERN C#CCC(C)(C)C(=O)N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000184287805 518241095 /nfs/dbraw/zinc/24/10/95/518241095.db2.gz HNSGWQIGRZRBBA-SJORKVTESA-N 0 0 299.414 3.151 10 30 CGEERN CC(C)CN(CCC#N)c1nc2ccc(N)cc2s1 ZINC000063104250 519715190 /nfs/dbraw/zinc/71/51/90/519715190.db2.gz HYBKMQJVIVNQLE-UHFFFAOYSA-N 0 0 274.393 3.255 10 30 CGEERN CCCC[C@@H](CC)COCC[C@H](C#N)NC(C)C ZINC000062442304 521038316 /nfs/dbraw/zinc/03/83/16/521038316.db2.gz YXKPKQPUKMLOOI-HUUCEWRRSA-N 0 0 254.418 3.500 10 30 CGEERN COc1cc(C=O)cc(Cl)c1OCCCCC#N ZINC000049578621 522310346 /nfs/dbraw/zinc/31/03/46/522310346.db2.gz BUNMRSUJHKBEJY-UHFFFAOYSA-N 0 0 267.712 3.234 10 30 CGEERN CN(Cc1cc(N)ccc1Cl)c1cccc(C#N)c1 ZINC000061950019 523182855 /nfs/dbraw/zinc/18/28/55/523182855.db2.gz DEQDGIGUUPJSQI-UHFFFAOYSA-N 0 0 271.751 3.430 10 30 CGEERN CO[C@H]1CCC[C@H]1Nc1cc(Cl)ccc1C#N ZINC000062785558 523988267 /nfs/dbraw/zinc/98/82/67/523988267.db2.gz PQMSCRPEKGUGRN-YPMHNXCESA-N 0 0 250.729 3.191 10 30 CGEERN C[C@@H](NC(=O)[C@@H](C#N)c1ccccc1)c1cccs1 ZINC000061614489 525257400 /nfs/dbraw/zinc/25/74/00/525257400.db2.gz HGMVZWRFKBAPLW-YPMHNXCESA-N 0 0 270.357 3.233 10 30 CGEERN N#C[C@H]1CCCOc2ccc(Br)cc21 ZINC000062624328 526513124 /nfs/dbraw/zinc/51/31/24/526513124.db2.gz XSAMZJSPFYFXIZ-MRVPVSSYSA-N 0 0 252.111 3.229 10 30 CGEERN C=C(Cl)CC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000685959307 570406551 /nfs/dbraw/zinc/40/65/51/570406551.db2.gz RLQYHZIDDCAGOJ-NSHDSACASA-N 0 0 273.760 3.001 10 30 CGEERN C#CCOc1ccc(C(=O)N[C@H](C)c2ccc(C)o2)cc1 ZINC000160457584 618054338 /nfs/dbraw/zinc/05/43/38/618054338.db2.gz BVGITBTUPRNFJQ-CYBMUJFWSA-N 0 0 283.327 3.091 10 30 CGEERN CC(=O)C1CCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000104426008 620328876 /nfs/dbraw/zinc/32/88/76/620328876.db2.gz DLYUJFFRBMYPGB-UHFFFAOYSA-N 0 0 262.740 3.017 10 30 CGEERN COC1CC(Nc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000230592955 623252961 /nfs/dbraw/zinc/25/29/61/623252961.db2.gz PBBXLYHOBNBCEH-UHFFFAOYSA-N 0 0 270.254 3.166 10 30 CGEERN C#CCCCNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000172947387 623300051 /nfs/dbraw/zinc/30/00/51/623300051.db2.gz MYMUIEDYWNJAFX-GHMZBOCLSA-N 0 0 279.742 3.112 10 30 CGEERN COc1cccc([C@H]2C[C@H]2C(=O)OCC2(CC#N)CC2)c1 ZINC000174747363 623735688 /nfs/dbraw/zinc/73/56/88/623735688.db2.gz VDIWLKURHCAQDG-HUUCEWRRSA-N 0 0 285.343 3.036 10 30 CGEERN C[C@@H](O)c1cccc(OCc2cn3ccccc3c2C#N)c1 ZINC000154675308 624341840 /nfs/dbraw/zinc/34/18/40/624341840.db2.gz WGCQIYDAEAIWMF-CYBMUJFWSA-N 0 0 292.338 3.443 10 30 CGEERN CCOc1ccc([C@@H](CC=O)NC(=O)OC(C)(C)C)cc1 ZINC000238293639 624759722 /nfs/dbraw/zinc/75/97/22/624759722.db2.gz PEVMWZLSNBWJSB-CQSZACIVSA-N 0 0 293.363 3.240 10 30 CGEERN C=CCCOC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1 ZINC000103648049 630339063 /nfs/dbraw/zinc/33/90/63/630339063.db2.gz ZGOFGVGXGODTNE-RISCZKNCSA-N 0 0 273.332 3.014 10 30 CGEERN CC(C)(C)OC(=O)N1CCc2cccc(CS)c21 ZINC000757162243 630587444 /nfs/dbraw/zinc/58/74/44/630587444.db2.gz DJWCIFOUTGYBIL-UHFFFAOYSA-N 0 0 265.378 3.414 10 30 CGEERN C#CCCCC(=O)O[C@H](C)c1ccccc1OCC ZINC000191115755 640290537 /nfs/dbraw/zinc/29/05/37/640290537.db2.gz SNDJYXVAJQEGMI-CYBMUJFWSA-N 0 0 260.333 3.493 10 30 CGEERN C#CCCCC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000191903357 640338191 /nfs/dbraw/zinc/33/81/91/640338191.db2.gz UFSFSIRQEMQNOS-GHMZBOCLSA-N 0 0 261.287 3.027 10 30 CGEERN CC[C@@H](OC(=O)CSCC#N)c1ccc(F)cc1 ZINC000195285670 640576690 /nfs/dbraw/zinc/57/66/90/640576690.db2.gz QPOYGLSBVNREKH-GFCCVEGCSA-N 0 0 267.325 3.077 10 30 CGEERN C[C@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)C1CCC1 ZINC000083149722 640595999 /nfs/dbraw/zinc/59/59/99/640595999.db2.gz WDQDAENAPBMLDY-RYUDHWBXSA-N 0 0 273.332 3.057 10 30 CGEERN C#C[C@H](OC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000245575752 640628388 /nfs/dbraw/zinc/62/83/88/640628388.db2.gz HRNKJWFGMQVXHV-HUBLWGQQSA-N 0 0 276.282 3.023 10 30 CGEERN C=CCN(Cc1ccccc1OC)C(=O)C/C=C\C ZINC000096845508 640841167 /nfs/dbraw/zinc/84/11/67/640841167.db2.gz YLDQIHMAFKCSBL-XQRVVYSFSA-N 0 0 259.349 3.176 10 30 CGEERN C=C[C@@H](CC)OC(=O)/C=C\c1ccnc(Cl)c1 ZINC000588386002 799685986 /nfs/dbraw/zinc/68/59/86/799685986.db2.gz TXIKKXNJRXZCNM-GZTOBOFZSA-N 0 0 251.713 3.256 10 30 CGEERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)O[C@H](C#N)C(C)C ZINC000588447433 799696121 /nfs/dbraw/zinc/69/61/21/799696121.db2.gz NWMPCJLSJRPABW-KOTGUFOOSA-N 0 0 288.303 3.089 10 30 CGEERN CCOc1cccc(/C=N\C[C@H]2CCC(C)(C)O2)c1O ZINC000588523207 799705986 /nfs/dbraw/zinc/70/59/86/799705986.db2.gz RCURKYIFXUMHHI-OMJMQIJPSA-N 0 0 277.364 3.167 10 30 CGEERN C=C[C@@](C)(CCOC)COC(=O)/C=C\c1scnc1C ZINC000588552121 799710115 /nfs/dbraw/zinc/71/01/15/799710115.db2.gz TYTZHMMFSIMRPY-XHPSBEMXSA-N 0 0 295.404 3.237 10 30 CGEERN C=C[C@](C)(CCOC)COC(=O)/C=C\c1ccccc1 ZINC000588552067 799710335 /nfs/dbraw/zinc/71/03/35/799710335.db2.gz JHOIEHPZQTYYAQ-QXPKXGMISA-N 0 0 274.360 3.472 10 30 CGEERN C=CCOc1c(CCC)cc(C(N)=O)cc1CCC ZINC000003636540 344858829 /nfs/dbraw/zinc/85/88/29/344858829.db2.gz DDHAZJQDSCEGTA-UHFFFAOYSA-N 0 0 261.365 3.255 10 30 CGEERN O=C(C=CNOCc1ccccc1)c1ccc(F)cc1 ZINC000013728858 344880851 /nfs/dbraw/zinc/88/08/51/344880851.db2.gz MBQFHEJYNFWCMO-KHPPLWFESA-N 0 0 271.291 3.244 10 30 CGEERN N#Cc1ccc(OC/C=C/COc2ccc(C#N)cc2)cc1 ZINC000034150432 344937548 /nfs/dbraw/zinc/93/75/48/344937548.db2.gz WSEJGSYXBRTHMO-OWOJBTEDSA-N 0 0 290.322 3.444 10 30 CGEERN CC/C=C/CCOS(=O)(=O)c1ccc(C)cc1 ZINC000039253646 344958796 /nfs/dbraw/zinc/95/87/96/344958796.db2.gz PTCRTTULASBLSJ-SNAWJCMRSA-N 0 0 254.351 3.057 10 30 CGEERN C[C@@H](C#N)N[C@@H](C)c1cccc(Br)c1 ZINC000043515098 345000153 /nfs/dbraw/zinc/00/01/53/345000153.db2.gz JZFQCBRSLFCRLF-IUCAKERBSA-N 0 0 253.143 3.012 10 30 CGEERN Cc1ccc([C@H](C)NC(=O)N(C)Cc2cccc(C#N)c2)o1 ZINC000043722002 345003092 /nfs/dbraw/zinc/00/30/92/345003092.db2.gz ZEYSCPYCYXWUMW-ZDUSSCGKSA-N 0 0 297.358 3.362 10 30 CGEERN O=C1C[C@@H](/C(=N\O)c2ccccc2)CN1C1CCCCC1 ZINC000048524372 345067387 /nfs/dbraw/zinc/06/73/87/345067387.db2.gz TUTQFYMRHJCRQH-MGPWXQLLSA-N 0 0 286.375 3.046 10 30 CGEERN C=C(Br)CNc1cc(F)cc(F)c1F ZINC000061095548 345226502 /nfs/dbraw/zinc/22/65/02/345226502.db2.gz XMYNBUKBLXTVMZ-UHFFFAOYSA-N 0 0 266.060 3.424 10 30 CGEERN N#Cc1cc2cc(I)ccc2s1 ZINC000060195639 345211520 /nfs/dbraw/zinc/21/15/20/345211520.db2.gz BEUWOGZLEQFBND-UHFFFAOYSA-N 0 0 285.109 3.378 10 30 CGEERN C[C@H]1OCC[C@H]1Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000147814470 232202186 /nfs/dbraw/zinc/20/21/86/232202186.db2.gz PMPAZTMJEXVAEO-PRHODGIISA-N 0 0 270.254 3.166 10 30 CGEERN CCc1cc(C#N)c(OCc2ccccc2)nc1C ZINC000138692681 346097410 /nfs/dbraw/zinc/09/74/10/346097410.db2.gz TVYCMWVGVHOPSR-UHFFFAOYSA-N 0 0 252.317 3.403 10 30 CGEERN CCCCCCCCN1C(=O)C(Cl)=C(Cl)C1=O ZINC000141598625 346109473 /nfs/dbraw/zinc/10/94/73/346109473.db2.gz BEHMZGQNRQZOQG-UHFFFAOYSA-N 0 0 278.179 3.405 10 30 CGEERN C#CCOc1ccc(C=O)cc1-c1ccc(OC)cc1 ZINC000166203166 346186302 /nfs/dbraw/zinc/18/63/02/346186302.db2.gz IOJFGJXEEWJADF-UHFFFAOYSA-N 0 0 266.296 3.187 10 30 CGEERN CC#CC[C@@H](O)c1cccc(F)c1Br ZINC000169069678 346191948 /nfs/dbraw/zinc/19/19/48/346191948.db2.gz QPFKFXDJQQHRBQ-SNVBAGLBSA-N 0 0 257.102 3.035 10 30 CGEERN CC(=O)[C@@H]1CCCCN1c1ccc(C#N)c(Cl)c1 ZINC000104407447 136526393 /nfs/dbraw/zinc/52/63/93/136526393.db2.gz GKYMPOCYJLUJKM-AWEZNQCLSA-N 0 0 262.740 3.160 10 30 CGEERN Cc1cc(Br)cc(NC[C@@H](C)C#N)c1 ZINC000232068186 346324971 /nfs/dbraw/zinc/32/49/71/346324971.db2.gz GJDPVOVVCJUKGX-VIFPVBQESA-N 0 0 253.143 3.329 10 30 CGEERN COC(=O)c1ccccc1N=CCc1ccccc1 ZINC000256091176 346399256 /nfs/dbraw/zinc/39/92/56/346399256.db2.gz UTUBQSIVMXUACR-UHFFFAOYSA-N 0 0 253.301 3.418 10 30 CGEERN C#C[C@H](Nc1ncc(C)cc1Br)C(C)C ZINC000301008149 346439308 /nfs/dbraw/zinc/43/93/08/346439308.db2.gz YGOKTKZNYRRLOU-NSHDSACASA-N 0 0 267.170 3.222 10 30 CGEERN C#C[C@H](NCC)c1c(C)cccc1Br ZINC000306730765 346457026 /nfs/dbraw/zinc/45/70/26/346457026.db2.gz PVSWUBKMCVFZEU-NSHDSACASA-N 0 0 252.155 3.041 10 30 CGEERN C[C@]1(c2cccc(Br)c2)CC[C@H](C=O)O1 ZINC000307257961 346460978 /nfs/dbraw/zinc/46/09/78/346460978.db2.gz BSCKITMQDIZGJV-VXGBXAGGSA-N 0 0 269.138 3.042 10 30 CGEERN C=C(C)C[C@@]1(C(=O)[O-])CCC[N@H+](Cc2ccccc2)C1 ZINC000309886509 346470284 /nfs/dbraw/zinc/47/02/84/346470284.db2.gz ZMVNABLFCUSZJX-KRWDZBQOSA-N 0 0 273.376 3.320 10 30 CGEERN Cc1cc([C@@H](O)c2ccc(C#N)cc2)n(-c2ccccc2)n1 ZINC000584659955 346705671 /nfs/dbraw/zinc/70/56/71/346705671.db2.gz FLAIVCLOUBXYML-SFHVURJKSA-N 0 0 289.338 3.134 10 30 CGEERN C=C[C@](C)(CC(=O)OC)CC1(C)SCCS1 ZINC000584657771 346705683 /nfs/dbraw/zinc/70/56/83/346705683.db2.gz JQQXKWIGVNUPKQ-LLVKDONJSA-N 0 0 260.424 3.328 10 30 CGEERN C=CC[C@@]1(OC(C)=O)CCc2c(OC)ccc(OC)c2C1 ZINC000584660396 346705754 /nfs/dbraw/zinc/70/57/54/346705754.db2.gz YGCDAINEUOYLMA-QGZVFWFLSA-N 0 0 290.359 3.071 10 30 CGEERN CCCC[C@](C#N)(C(=O)OCC)c1cccc(OC)c1 ZINC000584595496 346686846 /nfs/dbraw/zinc/68/68/46/346686846.db2.gz BEFRPGLPFDORPV-MRXNPFEDSA-N 0 0 275.348 3.210 10 30 CGEERN C=CC/N=C(/C)c1ccc(I)cc1 ZINC000584611803 346692609 /nfs/dbraw/zinc/69/26/09/346692609.db2.gz UCUDFKBKDKZVTN-LCYFTJDESA-N 0 0 285.128 3.286 10 30 CGEERN CC1(C)O[C@@](O)(C#Cc2ccccc2)c2ccccc21 ZINC000584619801 346695326 /nfs/dbraw/zinc/69/53/26/346695326.db2.gz DXYDEFYFZAZOKB-SFHVURJKSA-N 0 0 264.324 3.149 10 30 CGEERN C=C[C@]1(O)c2ccccc2CC[C@H]1c1cccnc1 ZINC000584620719 346695685 /nfs/dbraw/zinc/69/56/85/346695685.db2.gz PYWQOVPNJCCXNA-IRXDYDNUSA-N 0 0 251.329 3.185 10 30 CGEERN COc1cccc2c1CC[C@@H]([C@H]1C=CC(=O)CC1)C2 ZINC000584624729 346696352 /nfs/dbraw/zinc/69/63/52/346696352.db2.gz MELSYDQRRQLXEN-QWHCGFSZSA-N 0 0 256.345 3.335 10 30 CGEERN N#C[C@@H](c1cccnc1)[C@H](CCO)c1cc(F)ccc1F ZINC000584633306 346699641 /nfs/dbraw/zinc/69/96/41/346699641.db2.gz AUSHARRXHMNSGD-HIFRSBDPSA-N 0 0 288.297 3.133 10 30 CGEERN Brc1ccnc(C#Cc2ccccc2)c1 ZINC000584635512 346700256 /nfs/dbraw/zinc/70/02/56/346700256.db2.gz QGWQUFIZRNKXNW-UHFFFAOYSA-N 0 0 258.118 3.244 10 30 CGEERN N#C[C@@H](c1cscn1)[C@H](CCO)c1c(F)cccc1F ZINC000584636999 346701071 /nfs/dbraw/zinc/70/10/71/346701071.db2.gz CUYXRTVSQQHSLG-VHSXEESVSA-N 0 0 294.326 3.195 10 30 CGEERN N#C[C@H]1CCCC[C@@H]1NCc1cncc(Br)c1 ZINC000595688013 347337565 /nfs/dbraw/zinc/33/75/65/347337565.db2.gz AWVQVCVVYRBWGS-YPMHNXCESA-N 0 0 294.196 3.016 10 30 CGEERN N#C[C@H]1CCCC[C@@H]1NCc1csc(C2CC2)n1 ZINC000595695061 347339975 /nfs/dbraw/zinc/33/99/75/347339975.db2.gz RQCDGFJMQCTNTK-YPMHNXCESA-N 0 0 261.394 3.192 10 30 CGEERN CCOC(=O)N1CCCC[C@@H]1c1ccccc1C#N ZINC000616613429 348846506 /nfs/dbraw/zinc/84/65/06/348846506.db2.gz YAOAOGIJXVZAQW-CQSZACIVSA-N 0 0 258.321 3.242 10 30 CGEERN N#Cc1cc(Br)c(Cl)nc1-c1ccccn1 ZINC000616577391 348834409 /nfs/dbraw/zinc/83/44/09/348834409.db2.gz VTGXFMGKPRSXNV-UHFFFAOYSA-N 0 0 294.539 3.431 10 30 CGEERN N#Cc1ccccc1N1C(=O)c2ccc(Cl)cc2C1=O ZINC000017008900 283215118 /nfs/dbraw/zinc/21/51/18/283215118.db2.gz GRBPJMCZTDFYDD-UHFFFAOYSA-N 0 0 282.686 3.012 10 30 CGEERN CC1(C)CCC[C@@H]1Nc1cnn(-c2ncccc2C#N)c1 ZINC000186009279 138439033 /nfs/dbraw/zinc/43/90/33/138439033.db2.gz FEQWDKBXFRQXAU-AWEZNQCLSA-N 0 0 281.363 3.130 10 30 CGEERN COC(=O)Nc1ccc(CNc2ccc(F)cc2C#N)cc1 ZINC000301329252 200976893 /nfs/dbraw/zinc/97/68/93/200976893.db2.gz ARQMWMKEXOWZGX-UHFFFAOYSA-N 0 0 299.305 3.488 10 30 CGEERN CC[S@](=O)[C@H]1CCC[C@@H](Nc2ccc(C#N)cc2)C1 ZINC000301519258 201043467 /nfs/dbraw/zinc/04/34/67/201043467.db2.gz CTDNKZSBSRFFCV-VCBZYWHSSA-N 0 0 276.405 3.050 10 30 CGEERN CC(C)CCO[C@H]1CCN(c2ccc(C#N)cc2)C1 ZINC000301591703 201085333 /nfs/dbraw/zinc/08/53/33/201085333.db2.gz UFEZRRNVZJCORT-INIZCTEOSA-N 0 0 258.365 3.200 10 30 CGEERN Cc1cc(Oc2cccc(C(=O)N(C)C)c2)c(C#N)c(C)n1 ZINC000301787816 201197410 /nfs/dbraw/zinc/19/74/10/201197410.db2.gz PPGPQWLEQJZSNO-UHFFFAOYSA-N 0 0 295.342 3.064 10 30 CGEERN CC(C)Nc1cccc(CNc2cccc(C#N)n2)c1 ZINC000301826266 201220010 /nfs/dbraw/zinc/22/00/10/201220010.db2.gz JBNVNWHGZSVCSD-UHFFFAOYSA-N 0 0 266.348 3.386 10 30 CGEERN Cc1cc(N(C)C[C@H]2CC=CCC2)c(C#N)c(C)n1 ZINC000302124679 201351170 /nfs/dbraw/zinc/35/11/70/201351170.db2.gz FJJWREDMWLLIFH-AWEZNQCLSA-N 0 0 255.365 3.363 10 30 CGEERN N#Cc1ccc(CN2CCC[C@H]2c2nc3c([nH]2)CCCC3)o1 ZINC000275523333 193066438 /nfs/dbraw/zinc/06/64/38/193066438.db2.gz LIHVWJFJGBXLPZ-INIZCTEOSA-N 0 0 296.374 3.090 10 30 CGEERN Cc1cc(OCC#N)c(C)c(C)c1Br ZINC000011834431 368597414 /nfs/dbraw/zinc/59/74/14/368597414.db2.gz DDHUAQKPJTZAOK-UHFFFAOYSA-N 0 0 254.127 3.277 10 30 CGEERN Fc1nc2c(F)c(F)c(F)c(F)c2c(F)c1F ZINC000006090900 368565678 /nfs/dbraw/zinc/56/56/78/368565678.db2.gz PXEKJPZSMAMHCB-UHFFFAOYSA-N 0 0 255.092 3.209 10 30 CGEERN O=[N+]([O-])c1ccccc1N=NC1CCc2ccccc21 ZINC000013136822 368645564 /nfs/dbraw/zinc/64/55/64/368645564.db2.gz YHFOOEZWVLLHPT-SSZFMOIBSA-N 0 0 267.288 3.357 10 30 CGEERN Cc1ccc(NC2=NCCS2)c(Br)c1 ZINC000013858486 368669264 /nfs/dbraw/zinc/66/92/64/368669264.db2.gz JIJYATWAJFQWRF-UHFFFAOYSA-N 0 0 271.183 3.081 10 30 CGEERN O=C(/C=C/c1ccccc1O)c1nc2ccccc2[nH]1 ZINC000026462411 368860161 /nfs/dbraw/zinc/86/01/61/368860161.db2.gz AWMBALQXJFUUMP-MDZDMXLPSA-N 0 0 264.284 3.165 10 30 CGEERN FC(F)(F)Oc1cccc(NC2=NCCCS2)c1 ZINC000034971995 368983818 /nfs/dbraw/zinc/98/38/18/368983818.db2.gz JBGUZBDWUGPSPJ-UHFFFAOYSA-N 0 0 276.283 3.299 10 30 CGEERN C[C@@H](C#N)CC(=O)c1cccc(Br)c1 ZINC000033426748 368965598 /nfs/dbraw/zinc/96/55/98/368965598.db2.gz RRMIJNOAGHYSSP-MRVPVSSYSA-N 0 0 252.111 3.182 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000061888708 369609902 /nfs/dbraw/zinc/60/99/02/369609902.db2.gz OLDVKGRBPBJEBA-PWSUYJOCSA-N 0 0 282.265 3.127 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000061889268 369609972 /nfs/dbraw/zinc/60/99/72/369609972.db2.gz AARGXOFQGNZNQL-ULRUDBTPSA-N 0 0 272.392 3.011 10 30 CGEERN Cc1ccc(NC(=O)N[C@@H]2CCC[C@@H]2C#N)cc1Cl ZINC000061889415 369610930 /nfs/dbraw/zinc/61/09/30/369610930.db2.gz NWYCCPCCPMKYTI-ZWNOBZJWSA-N 0 0 277.755 3.462 10 30 CGEERN COc1ccc(CN[C@@H]2CCC[C@@H]2C#N)cc1OC(F)F ZINC000061891023 369610973 /nfs/dbraw/zinc/61/09/73/369610973.db2.gz YHWJNWSBHFYQOE-VXGBXAGGSA-N 0 0 296.317 3.078 10 30 CGEERN Cc1ccc(C(=O)N[C@H]2CCC[C@H]2C#N)cc1Cl ZINC000063021706 369636831 /nfs/dbraw/zinc/63/68/31/369636831.db2.gz RGNGBVPCMJSLIX-AAEUAGOBSA-N 0 0 262.740 3.071 10 30 CGEERN O=C(C#Cc1ccccc1)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000081129645 369994641 /nfs/dbraw/zinc/99/46/41/369994641.db2.gz ZUHQWRCQDCKQFH-KBPBESRZSA-N 0 0 295.304 3.275 10 30 CGEERN CCO[C@]1(C#N)C=CC(/N=C\c2ccccc2)=CC1 ZINC000100343631 370276906 /nfs/dbraw/zinc/27/69/06/370276906.db2.gz VTRLAFZROKKXDX-UWCCDQBKSA-N 0 0 252.317 3.248 10 30 CGEERN CC(=O)ON(C)/C=C\C(=O)c1ccc(-c2ccccc2)cc1 ZINC000100642408 370280809 /nfs/dbraw/zinc/28/08/09/370280809.db2.gz IQYJGTVXJZPYLK-SEYXRHQNSA-N 0 0 295.338 3.460 10 30 CGEERN C[C@H]1c2ccccc2O[C@@H]1C(=O)Oc1ccc(C#N)cc1 ZINC000117562028 370594427 /nfs/dbraw/zinc/59/44/27/370594427.db2.gz OUWGKDLOPPKSRN-ZBEGNZNMSA-N 0 0 279.295 3.028 10 30 CGEERN N#Cc1ccc(C(F)(F)F)nc1N[C@@H]1CCCCC[C@H]1O ZINC000135806814 371448878 /nfs/dbraw/zinc/44/88/78/371448878.db2.gz XYKCHHKKYXLDFN-GHMZBOCLSA-N 0 0 299.296 3.078 10 30 CGEERN C=C(C)CNC(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000156270012 371970513 /nfs/dbraw/zinc/97/05/13/371970513.db2.gz QYNXNNCULDPZSF-NSHDSACASA-N 0 0 250.317 3.070 10 30 CGEERN C[C@H]1CC[C@H](NC(=O)c2ccc(C#N)cn2)c2ccccc21 ZINC000162738954 372415287 /nfs/dbraw/zinc/41/52/87/372415287.db2.gz RYVZCIVBCNBBEO-LRDDRELGSA-N 0 0 291.354 3.322 10 30 CGEERN CC(=O)/C=C/c1ccc2c(c1)OCc1ccccc1C2=O ZINC000169318609 372629843 /nfs/dbraw/zinc/62/98/43/372629843.db2.gz ILIJJTLWZWJGES-VOTSOKGWSA-N 0 0 278.307 3.412 10 30 CGEERN C=CCNC(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000173368509 373130965 /nfs/dbraw/zinc/13/09/65/373130965.db2.gz NACBTHJQBGPSNM-LBPRGKRZSA-N 0 0 293.436 3.342 10 30 CGEERN Cc1ccc([C@@H]2CCCCN2C(=O)c2cc(C#N)c[nH]2)o1 ZINC000175778046 373517999 /nfs/dbraw/zinc/51/79/99/373517999.db2.gz YCCHAYCFOZEISD-AWEZNQCLSA-N 0 0 283.331 3.155 10 30 CGEERN C=CCCCC(=O)N[C@@H](C)COCc1ccccc1 ZINC000176009374 373547320 /nfs/dbraw/zinc/54/73/20/373547320.db2.gz HQFYXUBEBYVQIH-AWEZNQCLSA-N 0 0 261.365 3.064 10 30 CGEERN N#Cc1c(F)cccc1N[C@H]1CCN(c2ccccc2)C1 ZINC000301206248 373692266 /nfs/dbraw/zinc/69/22/66/373692266.db2.gz SUMKUHYBVDLWIM-ZDUSSCGKSA-N 0 0 281.334 3.388 10 30 CGEERN N#Cc1nc(SCc2ccccc2)ccc1[N+](=O)[O-] ZINC000302767027 373955804 /nfs/dbraw/zinc/95/58/04/373955804.db2.gz ZWLFVGZKDNDXDK-UHFFFAOYSA-N 0 0 271.301 3.154 10 30 CGEERN CCc1ccc(Nc2ccc([N+](=O)[O-])c(C#N)n2)cc1 ZINC000302718153 373939448 /nfs/dbraw/zinc/93/94/48/373939448.db2.gz KEZQJNJNTODFDX-UHFFFAOYSA-N 0 0 268.276 3.167 10 30 CGEERN CCC[C@@H]1C[C@@H]1NC(=O)N[C@@H]1CCCC12CCOCC2 ZINC000328675478 374375199 /nfs/dbraw/zinc/37/51/99/374375199.db2.gz QVNLUGDICAYTKY-HZSPNIEDSA-N 0 0 280.412 3.028 10 30 CGEERN Cc1ccc(NC(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)cn1 ZINC000328624147 374370856 /nfs/dbraw/zinc/37/08/56/374370856.db2.gz JTBWTTFSJLKSIC-OCCSQVGLSA-N 0 0 291.395 3.167 10 30 CGEERN O=C(NC1C2CC3CC(C2)CC1C3)[C@@H]1CCc2n[nH]cc2C1 ZINC000328883538 374391515 /nfs/dbraw/zinc/39/15/15/374391515.db2.gz XXYQHGOHAABALV-SGHBJWCJSA-N 0 0 299.418 3.296 10 30 CGEERN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000329886762 374438831 /nfs/dbraw/zinc/43/88/31/374438831.db2.gz WOLICOBKDYZMPX-KBMXLJTQSA-N 0 0 295.386 3.336 10 30 CGEERN C=C(C)C[C@H](C)C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000185187431 374605107 /nfs/dbraw/zinc/60/51/07/374605107.db2.gz JERSQXDDUFRAII-STQMWFEESA-N 0 0 291.391 3.483 10 30 CGEERN C#CCCCC(=O)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000192028444 375689873 /nfs/dbraw/zinc/68/98/73/375689873.db2.gz AOVYQTONMZXWRB-UHFFFAOYSA-N 0 0 288.366 3.032 10 30 CGEERN CCN1CCC/C1=N\C(=O)Nc1c(C)cccc1C ZINC000199864092 376124687 /nfs/dbraw/zinc/12/46/87/376124687.db2.gz PVNGOCNXOPJFAM-DTQAZKPQSA-N 0 0 259.353 3.350 10 30 CGEERN Cc1cc(NC[C@@H](C)c2nccs2)c(C#N)c(C)n1 ZINC000230607535 376520908 /nfs/dbraw/zinc/52/09/08/376520908.db2.gz VCWSHJGYIPNYFK-SECBINFHSA-N 0 0 272.377 3.242 10 30 CGEERN C[C@@H]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(C#N)n2)C1 ZINC000235337307 376636583 /nfs/dbraw/zinc/63/65/83/376636583.db2.gz RDRXFFXHKIBHBC-GHMZBOCLSA-N 0 0 274.324 3.100 10 30 CGEERN Cc1ccc(C#N)cc1NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000245420372 376811236 /nfs/dbraw/zinc/81/12/36/376811236.db2.gz CAIHDSFECCDKOD-NHAGDIPZSA-N 0 0 254.333 3.241 10 30 CGEERN COc1cc(C=NO)c(Br)cc1OC(C)C ZINC000254387335 377705911 /nfs/dbraw/zinc/70/59/11/377705911.db2.gz MOUBUDWFVMXHLL-UHFFFAOYSA-N 0 0 288.141 3.053 10 30 CGEERN OCc1ccc(C(F)(F)F)c(C(F)(F)F)c1F ZINC000575381418 377892619 /nfs/dbraw/zinc/89/26/19/377892619.db2.gz SPDUUWPWTSHQNY-UHFFFAOYSA-N 0 0 262.124 3.356 10 30 CGEERN CCOC(=O)c1cc(C(F)F)cc(C#N)c1OC(F)F ZINC000575385218 377895097 /nfs/dbraw/zinc/89/50/97/377895097.db2.gz DDHUSGVEPZYHNS-UHFFFAOYSA-N 0 0 291.200 3.274 10 30 CGEERN CCOC(=O)c1c(CC)cc(C#N)cc1OC(F)(F)F ZINC000575388906 377896112 /nfs/dbraw/zinc/89/61/12/377896112.db2.gz KCDIAANLTHOLPP-UHFFFAOYSA-N 0 0 287.237 3.196 10 30 CGEERN CCOC(=O)c1cc(C(F)F)cc(CC)c1C#N ZINC000575389418 377897488 /nfs/dbraw/zinc/89/74/88/377897488.db2.gz HCLDHMQWUCCMJK-UHFFFAOYSA-N 0 0 253.248 3.235 10 30 CGEERN N#CCc1cc(OC(F)F)cc(C#N)c1OC(F)(F)F ZINC000575638603 377924365 /nfs/dbraw/zinc/92/43/65/377924365.db2.gz BLOSRZRRFSWKJV-UHFFFAOYSA-N 0 0 292.163 3.124 10 30 CGEERN CCc1cc(C#N)cc(CC#N)c1OC(F)(F)F ZINC000575645559 377926041 /nfs/dbraw/zinc/92/60/41/377926041.db2.gz BVRHEDOPPNUHLI-UHFFFAOYSA-N 0 0 254.211 3.085 10 30 CGEERN CCOc1c(CC)ccc(CC#N)c1OC(F)F ZINC000575655188 377932626 /nfs/dbraw/zinc/93/26/26/377932626.db2.gz JRWCJGMXXXHGQJ-UHFFFAOYSA-N 0 0 255.264 3.315 10 30 CGEERN N#Cc1cc(C(F)(F)F)c(F)cc1OC(F)F ZINC000575660530 377936916 /nfs/dbraw/zinc/93/69/16/377936916.db2.gz RGJDXEMATDKMIA-UHFFFAOYSA-N 0 0 255.117 3.318 10 30 CGEERN N#Cc1cc(F)c(OC(F)F)c(C(F)(F)F)c1 ZINC000575660576 377937128 /nfs/dbraw/zinc/93/71/28/377937128.db2.gz SNEJJRPROXSCBC-UHFFFAOYSA-N 0 0 255.117 3.318 10 30 CGEERN N#Cc1cc(OC(F)F)c([N+](=O)[O-])cc1C(F)(F)F ZINC000575665374 377941878 /nfs/dbraw/zinc/94/18/78/377941878.db2.gz DJYLBRBVMBGPBJ-UHFFFAOYSA-N 0 0 282.124 3.087 10 30 CGEERN Cc1c(C#N)ccc(C(F)(F)F)c1OC(F)F ZINC000575665649 377943028 /nfs/dbraw/zinc/94/30/28/377943028.db2.gz SHYNHYVQIMQASE-UHFFFAOYSA-N 0 0 251.154 3.487 10 30 CGEERN N#Cc1ccc(OC(F)F)c(OC(F)F)c1Cl ZINC000575674153 377949309 /nfs/dbraw/zinc/94/93/09/377949309.db2.gz DJQQUEITKIHOLF-UHFFFAOYSA-N 0 0 269.581 3.414 10 30 CGEERN N#Cc1cc(OC(F)F)cc(OC(F)F)c1Cl ZINC000575677309 377951428 /nfs/dbraw/zinc/95/14/28/377951428.db2.gz SQCRCLVQSONJFE-UHFFFAOYSA-N 0 0 269.581 3.414 10 30 CGEERN N#CCc1cc([N+](=O)[O-])c(Br)cc1Cl ZINC000575676487 377951647 /nfs/dbraw/zinc/95/16/47/377951647.db2.gz FYOMPALSSNFIIW-UHFFFAOYSA-N 0 0 275.489 3.077 10 30 CGEERN COC(=O)Cc1ccc(C#N)c(C)c1SC(F)(F)F ZINC000575395759 377903302 /nfs/dbraw/zinc/90/33/02/377903302.db2.gz PMLDLSKGKCDRRY-UHFFFAOYSA-N 0 0 289.278 3.194 10 30 CGEERN CCOc1ccc(Br)c(OCC)c1C#N ZINC000575680375 377954515 /nfs/dbraw/zinc/95/45/15/377954515.db2.gz FKBIETJXYFUUOU-UHFFFAOYSA-N 0 0 270.126 3.118 10 30 CGEERN N#CCc1c(O)c(C(F)(F)F)ccc1Br ZINC000575692639 377968283 /nfs/dbraw/zinc/96/82/83/377968283.db2.gz YTZQVJFSLBZGBC-UHFFFAOYSA-N 0 0 280.043 3.240 10 30 CGEERN CCOc1cc(CC#N)c(OC)cc1C(F)(F)F ZINC000575698301 377971543 /nfs/dbraw/zinc/97/15/43/377971543.db2.gz JWJULEROQWLQJZ-UHFFFAOYSA-N 0 0 259.227 3.179 10 30 CGEERN CCc1cc(I)cc(C)c1CC#N ZINC000575705625 377977694 /nfs/dbraw/zinc/97/76/94/377977694.db2.gz IYSODNMBVLBSIP-UHFFFAOYSA-N 0 0 285.128 3.228 10 30 CGEERN O=C(NCCC1CCCCC1)c1cnn2ccncc12 ZINC000329229781 227366150 /nfs/dbraw/zinc/36/61/50/227366150.db2.gz CXLOHCJIDAANCH-UHFFFAOYSA-N 0 0 272.352 3.004 10 30 CGEERN COC1(c2noc([C@]3(C#N)CC34CCCC4)n2)CCCC1 ZINC000333889805 533030622 /nfs/dbraw/zinc/03/06/22/533030622.db2.gz YMPISPHSSUNMHI-OAHLLOKOSA-N 0 0 287.363 3.211 10 30 CGEERN Cc1n[nH]c(C)c1NC(=O)[C@H]1C[C@@]12CCOc1ccccc12 ZINC000328816852 542445285 /nfs/dbraw/zinc/44/52/85/542445285.db2.gz CZOCFVHNJUHEBP-CXAGYDPISA-N 0 0 297.358 3.355 10 30 CGEERN Cc1nc([C@H](C)NC(=O)C[C@@H]2CCCC(=O)N2)cs1 ZINC000329327979 542445866 /nfs/dbraw/zinc/44/58/66/542445866.db2.gz KEPGGTJJZUQCRQ-WPRPVWTQSA-N 0 0 281.381 3.368 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1ccc(OC2CCCC2)nc1 ZINC000329324693 542446083 /nfs/dbraw/zinc/44/60/83/542446083.db2.gz VTDWULBWMVGXET-SWLSCSKDSA-N 0 0 299.374 3.400 10 30 CGEERN CC(C)(C)c1cnc(NC(=O)COC[C@H]2CCOC2)s1 ZINC000329786212 542448122 /nfs/dbraw/zinc/44/81/22/542448122.db2.gz XRQOXZAYQVDOJU-JTQLQIEISA-N 0 0 298.408 3.082 10 30 CGEERN C[C@]1(C(=O)N[C@@H]2CCCNC2=O)CCc2ccccc2C1 ZINC000329830546 542449549 /nfs/dbraw/zinc/44/95/49/542449549.db2.gz SMCJDVZDXMRDAL-PBHICJAKSA-N 0 0 286.375 3.257 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)Nc1nc2ccsc2s1 ZINC000332897266 542450765 /nfs/dbraw/zinc/45/07/65/542450765.db2.gz JCELOXVTNAMRIF-SFYZADRCSA-N 0 0 292.389 3.172 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)c1coc(C2CCCCC2)n1 ZINC000332729388 542451026 /nfs/dbraw/zinc/45/10/26/542451026.db2.gz XZOBHDSXAHWDJI-CHWSQXEVSA-N 0 0 287.363 3.144 10 30 CGEERN CC(C)(C)OC(=O)N1CCC[C@@H](CCCS)C1 ZINC000095085113 184939174 /nfs/dbraw/zinc/93/91/74/184939174.db2.gz BSNDMUDBGHILAY-NSHDSACASA-N 0 0 259.415 3.344 10 30 CGEERN N#C[C@H]1CCO[C@@H]1c1cc(Br)cs1 ZINC000070672436 392185533 /nfs/dbraw/zinc/18/55/33/392185533.db2.gz RQOKCCIIZAFMPK-MUWHJKNJSA-N 0 0 258.140 3.112 10 30 CGEERN CC(C)C[C@H](C)C(=O)N1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000366180080 392451424 /nfs/dbraw/zinc/45/14/24/392451424.db2.gz GCSWLQNGGLOOER-YQQAZPJKSA-N 0 0 292.423 3.122 10 30 CGEERN N#Cc1ccc(F)cc1CN1CCCC[C@H]1c1cn[nH]c1 ZINC000160409001 392581727 /nfs/dbraw/zinc/58/17/27/392581727.db2.gz IQSCUSFAUFBYCB-INIZCTEOSA-N 0 0 284.338 3.148 10 30 CGEERN N#Cc1ccc(NC[C@H]2C[C@@]23CCCc2ccccc23)nn1 ZINC000301957126 392604668 /nfs/dbraw/zinc/60/46/68/392604668.db2.gz LECXYTIPTOTDHC-KDOFPFPSSA-N 0 0 290.370 3.054 10 30 CGEERN C=C(C)CN(C)c1nn2cc(C(C)(C)C)nc2s1 ZINC000302017586 392607428 /nfs/dbraw/zinc/60/74/28/392607428.db2.gz CTQIRUQZNVFPGT-UHFFFAOYSA-N 0 0 264.398 3.101 10 30 CGEERN C[C@]1(CNC(=O)C[C@@H]2CCCCNC2=O)CCCC[C@@H]1O ZINC000329539372 392687501 /nfs/dbraw/zinc/68/75/01/392687501.db2.gz MRJCXYJIZMDZQU-HEHGZKQESA-N 0 0 296.411 3.031 10 30 CGEERN CCn1ccnc1COc1ccc(C#N)c(Cl)c1 ZINC000190247820 392812393 /nfs/dbraw/zinc/81/23/93/392812393.db2.gz PIERPGAUSBNYAV-UHFFFAOYSA-N 0 0 261.712 3.007 10 30 CGEERN CC#C[C@H](O)c1ccc(Cl)cc1Br ZINC000306407275 397677600 /nfs/dbraw/zinc/67/76/00/397677600.db2.gz YSCXZHRKMFSZRW-JTQLQIEISA-N 0 0 259.530 3.159 10 30 CGEERN CCOC(=O)CC1([C@@H]2CO2)CCC(C(C)C)CC1 ZINC000675053659 543311480 /nfs/dbraw/zinc/31/14/80/543311480.db2.gz PVVGYPJBPFJUDV-OWYJLGKBSA-N 0 0 254.370 3.171 10 30 CGEERN CN(C(=O)OC(C)(C)C)c1sc2c(c1C#N)CCC2 ZINC000675050376 543311161 /nfs/dbraw/zinc/31/11/61/543311161.db2.gz FGGDDPHUWHPWMK-UHFFFAOYSA-N 0 0 278.377 3.480 10 30 CGEERN Cc1ccccc1[C@H](C)NC(=O)Cc1ccc(C#N)cc1 ZINC000070158624 286986272 /nfs/dbraw/zinc/98/62/72/286986272.db2.gz GHJUVCKGYPNYAG-AWEZNQCLSA-N 0 0 278.355 3.287 10 30 CGEERN C=CCSc1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000001973092 169765397 /nfs/dbraw/zinc/76/53/97/169765397.db2.gz JOCKGMAFQLACRQ-QMMMGPOBSA-N 0 0 292.429 3.388 10 30 CGEERN C[C@H](Oc1ccccc1C#N)C(=O)c1ccc(F)c(F)c1 ZINC000005216092 170077085 /nfs/dbraw/zinc/07/70/85/170077085.db2.gz STQYWCUSICUAIX-JTQLQIEISA-N 0 0 287.265 3.487 10 30 CGEERN COc1ccc(/C=N/c2ccc([N+](=O)[O-])cc2C)cc1O ZINC000005379118 170091767 /nfs/dbraw/zinc/09/17/67/170091767.db2.gz BQFUSTLOECCGDQ-CXUHLZMHSA-N 0 0 286.287 3.368 10 30 CGEERN C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)c1cccc(C#N)c1 ZINC000006436113 170201040 /nfs/dbraw/zinc/20/10/40/170201040.db2.gz BFASONIKWMNDHB-ZOWXZIJZSA-N 0 0 256.349 3.113 10 30 CGEERN C(=N/NC1=Nc2cccc3cccc1c23)\c1cccnc1 ZINC000006438308 170201472 /nfs/dbraw/zinc/20/14/72/170201472.db2.gz JIMLXYXCMRNIKK-YBFXNURJSA-N 0 0 272.311 3.250 10 30 CGEERN C=CCNC(=O)c1ccnc(C23CC4CC(CC(C4)C2)C3)c1 ZINC000006855804 170249792 /nfs/dbraw/zinc/24/97/92/170249792.db2.gz UXCLNVBNDRWCSR-UHFFFAOYSA-N 0 0 296.414 3.465 10 30 CGEERN COC(=O)c1ccc(C=NNc2ccccc2C)cc1 ZINC000007892233 170306486 /nfs/dbraw/zinc/30/64/86/170306486.db2.gz FMBVHNWAJBZTTD-GZTJUZNOSA-N 0 0 268.316 3.228 10 30 CGEERN C[C@@H](Oc1cccc(C#N)c1)C(=O)c1ccccc1 ZINC000008489876 170337570 /nfs/dbraw/zinc/33/75/70/170337570.db2.gz IGLXVEYRGFKVQU-GFCCVEGCSA-N 0 0 251.285 3.208 10 30 CGEERN C#CCn1c2ccccc2nc1-c1ccc(F)cc1 ZINC000008787291 170355903 /nfs/dbraw/zinc/35/59/03/170355903.db2.gz ATKYRVLLDNCAGA-UHFFFAOYSA-N 0 0 250.276 3.476 10 30 CGEERN Cc1cc(O[C@@H](C)C#N)c(C)cc1Br ZINC000011944530 170459948 /nfs/dbraw/zinc/45/99/48/170459948.db2.gz HIDYWNFAQPYHOB-VIFPVBQESA-N 0 0 254.127 3.357 10 30 CGEERN C/C(=N\O)c1ccccc1NC(=O)c1cc(C)oc1C ZINC000019471215 170804911 /nfs/dbraw/zinc/80/49/11/170804911.db2.gz DJUKNGAEWFWULP-LICLKQGHSA-N 0 0 272.304 3.347 10 30 CGEERN C=C(C)Cn1c(C)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000020157978 171039346 /nfs/dbraw/zinc/03/93/46/171039346.db2.gz IUXBHBZGZIQLBK-JTQLQIEISA-N 0 0 288.416 3.467 10 30 CGEERN COCCCN[C@H](C#N)c1c(Cl)cccc1Cl ZINC000020177164 171043139 /nfs/dbraw/zinc/04/31/39/171043139.db2.gz MXVOSKPISJHECQ-LLVKDONJSA-N 0 0 273.163 3.184 10 30 CGEERN C[C@@H](Oc1ccc(CC#N)cc1)C(=O)Nc1ccccc1 ZINC000020297365 171137617 /nfs/dbraw/zinc/13/76/17/171137617.db2.gz PICOCHQAJVHLOS-CYBMUJFWSA-N 0 0 280.327 3.159 10 30 CGEERN CCC(C)(C)OCCC(=O)Nc1ccc(C#N)cc1 ZINC000020514742 171231999 /nfs/dbraw/zinc/23/19/99/171231999.db2.gz PQESPZSDLCZQDW-UHFFFAOYSA-N 0 0 260.337 3.092 10 30 CGEERN O=C(/C=C\N(O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000027325619 171513418 /nfs/dbraw/zinc/51/34/18/171513418.db2.gz VESLYKKWHUAWBA-KHPPLWFESA-N 0 0 298.298 3.183 10 30 CGEERN N#Cc1cc2cc[nH]c(=O)c2c2cc(Br)ccc12 ZINC000028955773 171581365 /nfs/dbraw/zinc/58/13/65/171581365.db2.gz VGXKPTQYWRQTLJ-UHFFFAOYSA-N 0 0 299.127 3.315 10 30 CGEERN CCC1([C@@H](C#N)c2ccc(Cl)cc2)OCCO1 ZINC000033986618 171828994 /nfs/dbraw/zinc/82/89/94/171828994.db2.gz YZCAFLAEZJEYSA-LBPRGKRZSA-N 0 0 251.713 3.100 10 30 CGEERN COC(C)(C)C[C@H](C)Nc1ccc(OCC#N)cc1 ZINC000034963690 171906960 /nfs/dbraw/zinc/90/69/60/171906960.db2.gz NIGWYPITVJKSSM-LBPRGKRZSA-N 0 0 262.353 3.204 10 30 CGEERN CCN(CC(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000035020902 171939104 /nfs/dbraw/zinc/93/91/04/171939104.db2.gz IEAYQCLEQPYXGO-UHFFFAOYSA-N 0 0 264.328 3.267 10 30 CGEERN COc1cc(NC2=NC[C@H](C)S2)c(OC)cc1Cl ZINC000035057266 171960450 /nfs/dbraw/zinc/96/04/50/171960450.db2.gz WRQFPTCONWCGBS-ZETCQYMHSA-N 0 0 286.784 3.070 10 30 CGEERN COc1ccc2ccccc2c1[C@H](C#N)NC(C)C ZINC000037290120 173095777 /nfs/dbraw/zinc/09/57/77/173095777.db2.gz WSGLHUFVDACJKV-AWEZNQCLSA-N 0 0 254.333 3.411 10 30 CGEERN N#Cc1cccc(NC[C@@H](O)c2ccc(Cl)cc2)c1 ZINC000037859526 173809352 /nfs/dbraw/zinc/80/93/52/173809352.db2.gz CVNCBFHLNPBHPJ-OAHLLOKOSA-N 0 0 272.735 3.357 10 30 CGEERN CC[C@@H](C)N[C@](C)(C#N)CCc1ccc(OC)cc1 ZINC000038064542 174075465 /nfs/dbraw/zinc/07/54/65/174075465.db2.gz MBVDUMWCVQBGMT-CJNGLKHVSA-N 0 0 260.381 3.298 10 30 CGEERN C=CCn1c(CCNC(=O)C(CC)CC)nc2ccccc21 ZINC000040198075 174203680 /nfs/dbraw/zinc/20/36/80/174203680.db2.gz AYRZDQYJUMUPTH-UHFFFAOYSA-N 0 0 299.418 3.317 10 30 CGEERN CCC[C@@H](C#N)NC(=O)Nc1ccccc1Cl ZINC000040220802 174206916 /nfs/dbraw/zinc/20/69/16/174206916.db2.gz PFXJZGNFNLLESN-VIFPVBQESA-N 0 0 251.717 3.154 10 30 CGEERN C[C@H](Cc1ccsc1)Nc1ccc(C#N)cc1N ZINC000042599346 174815663 /nfs/dbraw/zinc/81/56/63/174815663.db2.gz BWQMRNPQEVTLRL-SNVBAGLBSA-N 0 0 257.362 3.245 10 30 CGEERN CCCN(CCC)C(=O)[C@H](C#N)Cc1ccccc1 ZINC000044809044 175257519 /nfs/dbraw/zinc/25/75/19/175257519.db2.gz GMZOQPAJCZXWQO-HNNXBMFYSA-N 0 0 258.365 3.017 10 30 CGEERN Cc1cccc(NC(=O)[C@H](C#N)Cc2ccccc2)c1 ZINC000044812065 175257895 /nfs/dbraw/zinc/25/78/95/175257895.db2.gz ATDKAVHYJGIGNL-HNNXBMFYSA-N 0 0 264.328 3.316 10 30 CGEERN N#CC1(C(=O)N2CCC[C@@H]2C2CCCC2)CCCC1 ZINC000045088826 175304867 /nfs/dbraw/zinc/30/48/67/175304867.db2.gz IFBBPXONQWISNN-CQSZACIVSA-N 0 0 260.381 3.252 10 30 CGEERN CCc1ccc([C@H](C)Nc2cnc(C#N)cn2)cc1 ZINC000071177857 176055510 /nfs/dbraw/zinc/05/55/10/176055510.db2.gz FQKUTFNNSUTJLQ-NSHDSACASA-N 0 0 252.321 3.084 10 30 CGEERN N#CCn1ccc(=O)c2cc(Cl)c(C(F)(F)F)cc21 ZINC000072237314 176346129 /nfs/dbraw/zinc/34/61/29/176346129.db2.gz OCKKLKFREKJPBZ-UHFFFAOYSA-N 0 0 286.640 3.197 10 30 CGEERN C#CC[C@@H](O)c1cccc(OCc2ccccc2)c1 ZINC000075421098 176702818 /nfs/dbraw/zinc/70/28/18/176702818.db2.gz CBGUCRYRSNIXRE-QGZVFWFLSA-N 0 0 252.313 3.322 10 30 CGEERN N#Cc1ccc(Br)c(Br)c1F ZINC000075927364 176830767 /nfs/dbraw/zinc/83/07/67/176830767.db2.gz ZCLDQTGKIRCAGH-UHFFFAOYSA-N 0 0 278.906 3.222 10 30 CGEERN NC(=O)C1CCC(NC(=O)C[C@H]2CCCCNC2=O)CC1 ZINC000329453282 227524978 /nfs/dbraw/zinc/52/49/78/227524978.db2.gz PHPFVSCXNYXHCX-MOENNCHZSA-N 0 0 295.383 3.184 10 30 CGEERN O=C(NC[C@@H]1CCC[C@@H]1O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000329774978 227944746 /nfs/dbraw/zinc/94/47/46/227944746.db2.gz MTBICNYHKBIXFE-NPJQDHAYSA-N 0 0 294.439 3.010 10 30 CGEERN Cn1ccnc1-c1cccc(NC(=O)N2C[C@H]3CCC[C@H]32)c1 ZINC000329913731 227983733 /nfs/dbraw/zinc/98/37/33/227983733.db2.gz CASPNJGUZUSLHR-UKRRQHHQSA-N 0 0 296.374 3.117 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1cccc2c1CCC2 ZINC000330033427 228023027 /nfs/dbraw/zinc/02/30/27/228023027.db2.gz AFHPXDOZSLKTIW-SWLSCSKDSA-N 0 0 254.333 3.172 10 30 CGEERN O=C(N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)C1(O)CCC1 ZINC000330044840 228025798 /nfs/dbraw/zinc/02/57/98/228025798.db2.gz FYRNLZHNXIVRFO-NWDGAFQWSA-N 0 0 297.301 3.015 10 30 CGEERN C[C@H](NC(=O)C(C)(C)C#N)c1cccc(Cl)c1 ZINC000042091738 260185513 /nfs/dbraw/zinc/18/55/13/260185513.db2.gz MIHUSFPHBVLFRU-VIFPVBQESA-N 0 0 250.729 3.067 10 30 CGEERN Cc1csc([C@@H]2CN(CCCC(C)(C)C#N)CCO2)n1 ZINC000174838895 261585899 /nfs/dbraw/zinc/58/58/99/261585899.db2.gz WDYPCWFKNRVOBZ-ZDUSSCGKSA-N 0 0 293.436 3.155 10 30 CGEERN CC(C)CCOc1ccc([C@@H](C)NC(=O)CC#N)cc1 ZINC000184685485 262026051 /nfs/dbraw/zinc/02/60/51/262026051.db2.gz DTOKDDUMOYJPNE-CYBMUJFWSA-N 0 0 274.364 3.202 10 30 CGEERN C[C@@H]1CC[C@@H](C(=O)NC2(C#N)CCC(C(C)(C)C)CC2)O1 ZINC000187284412 262396319 /nfs/dbraw/zinc/39/63/19/262396319.db2.gz APNWXMJEMQCFGB-ZBUZPQQSSA-N 0 0 292.423 3.169 10 30 CGEERN CCCn1c2ccccc2nc1CN[C@@H]1CCC[C@@H]1C#N ZINC000061892706 262406213 /nfs/dbraw/zinc/40/62/13/262406213.db2.gz UOLWAXLOARUULA-ZIAGYGMSSA-N 0 0 282.391 3.228 10 30 CGEERN CC1(C)C[C@H](NC(=O)C[C@@H]2CCCCNC2=O)C(C)(C)O1 ZINC000328881423 263887108 /nfs/dbraw/zinc/88/71/08/263887108.db2.gz WMSOHWVVTZMRJQ-RYUDHWBXSA-N 0 0 296.411 3.436 10 30 CGEERN CC1=C(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H](C)C1 ZINC000033387374 275918110 /nfs/dbraw/zinc/91/81/10/275918110.db2.gz JSWRJAPGZWFEBQ-MFDJHEEKSA-N 0 0 290.279 3.257 10 30 CGEERN CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](c2ccccc2)C1 ZINC000095930150 277195847 /nfs/dbraw/zinc/19/58/47/277195847.db2.gz GGOYCDNRCOQXSX-UONOGXRCSA-N 0 0 272.348 3.161 10 30 CGEERN COc1ccccc1C#Cc1ccc(OC)c(OC)c1 ZINC000095919554 277465908 /nfs/dbraw/zinc/46/59/08/277465908.db2.gz SLUIZAMYDLIANL-UHFFFAOYSA-N 0 0 268.312 3.112 10 30 CGEERN Cc1c(C)n(-c2ccc(C#N)c(Cl)c2)c(N)c1C#N ZINC000036964077 280223547 /nfs/dbraw/zinc/22/35/47/280223547.db2.gz CCAMSIDPDXRVJM-UHFFFAOYSA-N 0 0 270.723 3.073 10 30 CGEERN CC(C)[C@H]1CCO[C@H]1C(=O)NCC1(C(N)=O)CCCC1 ZINC000329247200 280390244 /nfs/dbraw/zinc/39/02/44/280390244.db2.gz BCHQNENLVQVWQJ-VXGBXAGGSA-N 0 0 282.384 3.100 10 30 CGEERN O/N=C/c1cc(Br)ccc1Br ZINC000083301841 295390451 /nfs/dbraw/zinc/39/04/51/295390451.db2.gz GJVNPTCUYOMVCY-ONNFQVAWSA-N 0 0 278.931 3.020 10 30 CGEERN C[C@H]1COC[C@H](C)N1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177288550 327718976 /nfs/dbraw/zinc/71/89/76/327718976.db2.gz WXNJZHKIJBGGKU-STQMWFEESA-N 0 0 297.320 3.166 10 30 CGEERN C=CCCC(=O)NCCCCOCc1ccccc1 ZINC000102248081 327929713 /nfs/dbraw/zinc/92/97/13/327929713.db2.gz XPMODBNOXLOJKO-UHFFFAOYSA-N 0 0 261.365 3.066 10 30 CGEERN Cc1csc([C@H]2CN(CC(C)(C)CCC#N)CCO2)n1 ZINC000092790421 327195423 /nfs/dbraw/zinc/19/54/23/327195423.db2.gz RUQFTJMARPVFKT-CYBMUJFWSA-N 0 0 293.436 3.155 10 30 CGEERN CCCCCCCCCCCC(=O)N(C)CCO ZINC000108908485 329109909 /nfs/dbraw/zinc/10/99/09/329109909.db2.gz IFDVSPCLJCWIHL-UHFFFAOYSA-N 0 0 257.418 3.358 10 30 CGEERN C#CCCCNC(=O)N1CCCC[C@@H]1c1ccc(CC)o1 ZINC000173324825 329145699 /nfs/dbraw/zinc/14/56/99/329145699.db2.gz CQZLMMLAAAXZJP-OAHLLOKOSA-N 0 0 288.391 3.492 10 30 CGEERN CCCCCCCN1C[C@@H](OC)C[C@@H]1c1nc(C)no1 ZINC000189334376 329379854 /nfs/dbraw/zinc/37/98/54/329379854.db2.gz JTKVOFZLGCPXOU-UONOGXRCSA-N 0 0 281.400 3.110 10 30 CGEERN CCCCCCCCC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116117427 329544671 /nfs/dbraw/zinc/54/46/71/329544671.db2.gz VMYXPMFBTMPGSD-HNNXBMFYSA-N 0 0 291.439 3.487 10 30 CGEERN C[C@H](N[C@@H]1CCC[C@H]1C#N)c1ccc(F)cc1F ZINC000251584432 329931604 /nfs/dbraw/zinc/93/16/04/329931604.db2.gz WQZQYVLKLZFARL-PKFCDNJMSA-N 0 0 250.292 3.308 10 30 CGEERN C=CCSCCNC(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000087083848 330371764 /nfs/dbraw/zinc/37/17/64/330371764.db2.gz ZNBMMRHDNWIQRV-LBPRGKRZSA-N 0 0 296.411 3.414 10 30 CGEERN CC[C@@H](C#N)NC(=O)[C@H](C)c1ccc(CC(C)C)cc1 ZINC000130043766 333809274 /nfs/dbraw/zinc/80/92/74/333809274.db2.gz HQHUOQIYHGTWNO-CJNGLKHVSA-N 0 0 272.392 3.407 10 30 CGEERN Cc1cc(C#N)ccc1-c1nc([C@@H]2CC23CC3)no1 ZINC000578308811 335598319 /nfs/dbraw/zinc/59/83/19/335598319.db2.gz WRELBDLQNFHZTD-LBPRGKRZSA-N 0 0 251.289 3.184 10 30 CGEERN C[C@@H](c1noc([C@]2(C#N)CC23CCCC3)n1)C1CC1 ZINC000333853133 534137478 /nfs/dbraw/zinc/13/74/78/534137478.db2.gz PWLDGERNSMRMSL-MEBBXXQBSA-N 0 0 257.337 3.309 10 30 CGEERN CCC(C)(C)Oc1cccc(Cl)c1/C(N)=N/O ZINC000052907234 521362708 /nfs/dbraw/zinc/36/27/08/521362708.db2.gz DAVUWHMQQVZNPM-UHFFFAOYSA-N 0 0 256.733 3.002 10 30 CGEERN COc1ccc(Cl)cc1N[C@H]1CCC[C@@H]1C#N ZINC000054823732 524245067 /nfs/dbraw/zinc/24/50/67/524245067.db2.gz NOHGGWMFDDZBHI-KOLCDFICSA-N 0 0 250.729 3.453 10 30 CGEERN C=CCCO[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000195711614 534782346 /nfs/dbraw/zinc/78/23/46/534782346.db2.gz QUDXEELZMQNBNW-IJLUTSLNSA-N 0 0 293.329 3.205 10 30 CGEERN C[C@H](NC(=O)[C@@H](C#N)c1ccccc1)c1cccs1 ZINC000061614488 525127325 /nfs/dbraw/zinc/12/73/25/525127325.db2.gz HGMVZWRFKBAPLW-AAEUAGOBSA-N 0 0 270.357 3.233 10 30 CGEERN C[C@@H](C#N)C[C@@H](O)c1ccc(Br)cc1 ZINC000049840351 526237946 /nfs/dbraw/zinc/23/79/46/526237946.db2.gz QVIVORHKNRMHDV-LDYMZIIASA-N 0 0 254.127 3.032 10 30 CGEERN N#CCCCCOC(=O)c1cc(N)c(Cl)c(Cl)c1 ZINC000049579279 526444744 /nfs/dbraw/zinc/44/47/44/526444744.db2.gz ACLGHPGNVHRUJN-UHFFFAOYSA-N 0 0 287.146 3.426 10 30 CGEERN N#CCCN(Cc1nc(Cl)ccc1Cl)C1CC1 ZINC000061631049 526458957 /nfs/dbraw/zinc/45/89/57/526458957.db2.gz CPTZUKBHEQGJFO-UHFFFAOYSA-N 0 0 270.163 3.266 10 30 CGEERN Cc1ccc(/C=C\C(=O)c2nc3ccccc3[nH]2)o1 ZINC000051075561 618199995 /nfs/dbraw/zinc/19/99/95/618199995.db2.gz YWGAZAVYOUBZMH-HJWRWDBZSA-N 0 0 252.273 3.360 10 30 CGEERN N#CCc1ccc(OS(=O)(=O)/C=C\c2ccccc2)cc1 ZINC000255328889 618207546 /nfs/dbraw/zinc/20/75/46/618207546.db2.gz QUDHALHBIFEVSR-QBFSEMIESA-N 0 0 299.351 3.132 10 30 CGEERN C#CCOCCC(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000162909999 619227312 /nfs/dbraw/zinc/22/73/12/619227312.db2.gz KFXCVBSGHSEHPO-AWEZNQCLSA-N 0 0 287.403 3.201 10 30 CGEERN C=C(Br)CNC(=O)NC1CCC(CC)CC1 ZINC000195180451 619735881 /nfs/dbraw/zinc/73/58/81/619735881.db2.gz VRDKWSXTVDNSFI-UHFFFAOYSA-N 0 0 289.217 3.163 10 30 CGEERN COc1ccc(COc2cccc([C@@H](C)O)c2)cc1C#N ZINC000087832171 620076962 /nfs/dbraw/zinc/07/69/62/620076962.db2.gz DGJVRFHTDVMDOK-GFCCVEGCSA-N 0 0 283.327 3.199 10 30 CGEERN C#CCCCNC(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000179233881 620374008 /nfs/dbraw/zinc/37/40/08/620374008.db2.gz DMKCUFIUAUZCCQ-CZUORRHYSA-N 0 0 270.376 3.338 10 30 CGEERN C=C(C)CN(CC)C(=O)[C@@H](CCC)NC(=O)OC(C)(C)C ZINC000170716384 623091841 /nfs/dbraw/zinc/09/18/41/623091841.db2.gz IISPFKIVGCTSQZ-CYBMUJFWSA-N 0 0 298.427 3.104 10 30 CGEERN C#CCCCCC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000179699339 624676523 /nfs/dbraw/zinc/67/65/23/624676523.db2.gz OUIWNSICEDJUBP-NEPJUHHUSA-N 0 0 275.314 3.417 10 30 CGEERN C[C@@H](OC(=O)c1cccc(C#N)c1)c1nc2ccccc2[nH]1 ZINC000102131536 634540367 /nfs/dbraw/zinc/54/03/67/634540367.db2.gz XYTSCRFEGJTRPK-LLVKDONJSA-N 0 0 291.310 3.353 10 30 CGEERN C#CCCCCC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000119541817 629612634 /nfs/dbraw/zinc/61/26/34/629612634.db2.gz YNVUWHRRRRJIEK-UHFFFAOYSA-N 0 0 259.393 3.121 10 30 CGEERN CCO[C@@H]1C[C@H](OC(=O)c2cccc(C#N)c2)C12CCCC2 ZINC000119717643 629697471 /nfs/dbraw/zinc/69/74/71/629697471.db2.gz WQUUILHQXHMQNX-CVEARBPZSA-N 0 0 299.370 3.453 10 30 CGEERN CCCCCCCCCC(=O)N1C[C@H](C)[C@H](C(=O)OC)C1 ZINC000128966227 636105277 /nfs/dbraw/zinc/10/52/77/636105277.db2.gz WENTXOVEBIETKN-LSDHHAIUSA-N 0 0 297.439 3.395 10 30 CGEERN N#C[C@@H](C(=O)Cc1ccccc1Cl)c1ccccn1 ZINC000046705812 639998758 /nfs/dbraw/zinc/99/87/58/639998758.db2.gz QSTUVMVSOJCAOT-GFCCVEGCSA-N 0 0 270.719 3.154 10 30 CGEERN COc1c(C)cc(/C=C\C(=O)c2cnn(C)c2C)cc1C ZINC000588397388 799687247 /nfs/dbraw/zinc/68/72/47/799687247.db2.gz YPUWHRFHYGNSNF-SREVYHEPSA-N 0 0 284.359 3.250 10 30 CGEERN COc1ccc(O)cc1C(=O)/C=C\c1ccccc1C#N ZINC000588409745 799690382 /nfs/dbraw/zinc/69/03/82/799690382.db2.gz WEZVWVLIOMBHPW-VURMDHGXSA-N 0 0 279.295 3.169 10 30 CGEERN N#CC1(COC(=O)CC/C=C\c2ccccc2)CCOCC1 ZINC000588411805 799691209 /nfs/dbraw/zinc/69/12/09/799691209.db2.gz HCQYDBPBAXKDGF-YWEYNIOJSA-N 0 0 299.370 3.344 10 30 CGEERN Oc1ccc(/C=N\Cc2ccc(C(F)F)cc2)c(O)c1O ZINC000588467605 799698130 /nfs/dbraw/zinc/69/81/30/799698130.db2.gz WTRSLQMRIJKDNB-LSCVHKIXSA-N 0 0 293.269 3.360 10 30 CGEERN COc1ccccc1C=NOCc1ccc(C)nc1C ZINC000588510150 799703734 /nfs/dbraw/zinc/70/37/34/799703734.db2.gz CFGGQIJJCBJPKY-UHFFFAOYSA-N 0 0 270.332 3.258 10 30 CGEERN C=C[C@@](C)(CCOC)COC(=O)/C=C\c1cncc(C)c1 ZINC000588551858 799710403 /nfs/dbraw/zinc/71/04/03/799710403.db2.gz ZYZIOYAAIKKUHP-TUYSUELWSA-N 0 0 289.375 3.175 10 30 CGEERN O=C(/C=C\c1cocn1)c1cccc(Br)c1 ZINC000588561556 799711799 /nfs/dbraw/zinc/71/17/99/799711799.db2.gz JFGHMZSXSPSTMA-PLNGDYQASA-N 0 0 278.105 3.333 10 30 CGEERN Cc1ccc2c(c1)C(=O)/C(=C/c1cocn1)CCO2 ZINC000588579096 799717259 /nfs/dbraw/zinc/71/72/59/799717259.db2.gz GHEYXJITHBJMIQ-YRNVUSSQSA-N 0 0 255.273 3.032 10 30 CGEERN CC[C@H](C)[C@](C#N)(CCN1CCOCC1)c1ccccc1 ZINC000031554828 344926678 /nfs/dbraw/zinc/92/66/78/344926678.db2.gz KUSPAVYMGQSRFN-FUHWJXTLSA-N 0 0 286.419 3.216 10 30 CGEERN C[C@H](c1ccccc1)n1c(N)c(C#N)c2c1CCCC2 ZINC000039044019 344957381 /nfs/dbraw/zinc/95/73/81/344957381.db2.gz RUYZFCWGFUUEIO-GFCCVEGCSA-N 0 0 265.360 3.430 10 30 CGEERN COc1ccc(C(=O)C#Cc2ccc(F)cc2)cc1 ZINC000034584537 344940994 /nfs/dbraw/zinc/94/09/94/344940994.db2.gz UYQBZEPZLORRGG-UHFFFAOYSA-N 0 0 254.260 3.069 10 30 CGEERN CC[C@@H](C#N)C(=O)c1ccc(F)cc1Br ZINC000036915906 344945459 /nfs/dbraw/zinc/94/54/59/344945459.db2.gz MRVKEHBSTJIBHS-ZETCQYMHSA-N 0 0 270.101 3.321 10 30 CGEERN CC(C)N[C@H](C#N)c1ccccc1Br ZINC000036924632 344945919 /nfs/dbraw/zinc/94/59/19/344945919.db2.gz FTHNWURHWYUZKU-LLVKDONJSA-N 0 0 253.143 3.012 10 30 CGEERN CC[C@@H](C#N)C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000044825974 345017455 /nfs/dbraw/zinc/01/74/55/345017455.db2.gz DYBXWZYGRIHNCA-ZJUUUORDSA-N 0 0 295.180 3.176 10 30 CGEERN O=CCCOc1ccc(OCc2ccccc2)cc1 ZINC000062544795 345239323 /nfs/dbraw/zinc/23/93/23/345239323.db2.gz LQGVULJMPSYBMG-UHFFFAOYSA-N 0 0 256.301 3.233 10 30 CGEERN N#Cc1cc(F)ccc1N[C@@H](CO)c1ccc(Cl)cc1 ZINC000092961261 345864758 /nfs/dbraw/zinc/86/47/58/345864758.db2.gz JBXOPQHYWZJSHJ-HNNXBMFYSA-N 0 0 290.725 3.496 10 30 CGEERN CCOc1ccc(C(=O)C#Cc2ccc(F)cc2)cc1 ZINC000135897571 346089507 /nfs/dbraw/zinc/08/95/07/346089507.db2.gz MNGHHZFLPBNDFZ-UHFFFAOYSA-N 0 0 268.287 3.459 10 30 CGEERN N#Cc1cccc(Nc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000142140693 346110829 /nfs/dbraw/zinc/11/08/29/346110829.db2.gz AXVDGJFGNUVVSG-UHFFFAOYSA-N 0 0 257.224 3.349 10 30 CGEERN CCNC(=S)N/C(=N\c1ccccc1)c1ccccc1 ZINC000145193551 346119848 /nfs/dbraw/zinc/11/98/48/346119848.db2.gz OVUNZMLGRIIIFY-UHFFFAOYSA-N 0 0 283.400 3.249 10 30 CGEERN O=CC[C@@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC000146520121 346123588 /nfs/dbraw/zinc/12/35/88/346123588.db2.gz FCEMFOOGKQYYIR-CQSZACIVSA-N 0 0 295.329 3.258 10 30 CGEERN Cc1ccc(Br)c(C(=O)C2=CCCO2)c1 ZINC000168363423 346190310 /nfs/dbraw/zinc/19/03/10/346190310.db2.gz IVRUOXYACABKMW-UHFFFAOYSA-N 0 0 267.122 3.244 10 30 CGEERN CC#CC[C@H](O)c1ccc(Br)cc1C ZINC000169064107 346191894 /nfs/dbraw/zinc/19/18/94/346191894.db2.gz CCHRKSXQUJUYTH-LBPRGKRZSA-N 0 0 253.139 3.204 10 30 CGEERN COC(=O)[C@@](C)(c1cccc(C#N)c1)C1CCCC1 ZINC000169044779 346192021 /nfs/dbraw/zinc/19/20/21/346192021.db2.gz JNOWXZAHLXSXIL-MRXNPFEDSA-N 0 0 257.333 3.179 10 30 CGEERN C[C@H](NC(=O)c1cc(C#N)c[nH]1)c1cccc(Cl)c1 ZINC000175074278 346247237 /nfs/dbraw/zinc/24/72/37/346247237.db2.gz KHRZGMPUWVQGKA-VIFPVBQESA-N 0 0 273.723 3.031 10 30 CGEERN C=C[C@@]1(C)CC(=O)O[C@@H](COCc2ccccc2)C1 ZINC000197163966 346277257 /nfs/dbraw/zinc/27/72/57/346277257.db2.gz BJLTUDZBDSRQPV-GDBMZVCRSA-N 0 0 260.333 3.101 10 30 CGEERN N#CC1(c2ccc(C(F)(F)F)cc2)CC2(C1)OCCO2 ZINC000218449809 346293508 /nfs/dbraw/zinc/29/35/08/346293508.db2.gz ASGSZBSNILTXLM-UHFFFAOYSA-N 0 0 283.249 3.004 10 30 CGEERN CC#CC(=O)Nc1cc(Br)ccc1Cl ZINC000232638082 346327162 /nfs/dbraw/zinc/32/71/62/346327162.db2.gz LPZHFZJFPPYVAD-UHFFFAOYSA-N 0 0 272.529 3.064 10 30 CGEERN N#Cc1ccc(N=Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000257352925 346400002 /nfs/dbraw/zinc/40/00/02/346400002.db2.gz OFKZDYVSBMFQHG-UHFFFAOYSA-N 0 0 251.245 3.217 10 30 CGEERN C[C@@]1(c2cccc(Br)c2)CC[C@@H](C=O)O1 ZINC000307257959 346460719 /nfs/dbraw/zinc/46/07/19/346460719.db2.gz BSCKITMQDIZGJV-RYUDHWBXSA-N 0 0 269.138 3.042 10 30 CGEERN CCO/C=C1/Cc2ccc(Br)cc2C1=O ZINC000307451392 346462807 /nfs/dbraw/zinc/46/28/07/346462807.db2.gz RURDKGQHLHTIJE-CLFYSBASSA-N 0 0 267.122 3.108 10 30 CGEERN C[C@@H]1CC[C@@H](C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)O1 ZINC000128422661 187369595 /nfs/dbraw/zinc/36/95/95/187369595.db2.gz PFTPCKVIZWKZIS-PELKAZGASA-N 0 0 298.264 3.083 10 30 CGEERN N#Cc1cccc2c1CN(C[C@H]1Cc3ccccc31)C2 ZINC000405150648 346602243 /nfs/dbraw/zinc/60/22/43/346602243.db2.gz QTXWGDAZVRLMLT-MRXNPFEDSA-N 0 0 260.340 3.214 10 30 CGEERN N#CCc1c(C(F)(F)F)cc(O)cc1C(F)(F)F ZINC000514261324 346635847 /nfs/dbraw/zinc/63/58/47/346635847.db2.gz HDVRDVFKRAUAKD-UHFFFAOYSA-N 0 0 269.144 3.496 10 30 CGEERN N#Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1N ZINC000514264222 346636541 /nfs/dbraw/zinc/63/65/41/346636541.db2.gz YKEKOHHVWVIPEX-UHFFFAOYSA-N 0 0 254.133 3.178 10 30 CGEERN N#CCC[NH2+]CCCCCCCCCC[NH2+]CCC#N ZINC000584650417 346704546 /nfs/dbraw/zinc/70/45/46/346704546.db2.gz IHXGWRNZWIPRKX-UHFFFAOYSA-N 0 0 278.444 3.114 10 30 CGEERN C[C@H](O)[C@](C)(/C=C/Sc1ccccc1)/C=N/N(C)C ZINC000584655804 346705774 /nfs/dbraw/zinc/70/57/74/346705774.db2.gz XPIOENTXRHOVQG-DLLQBMNKSA-N 0 0 278.421 3.227 10 30 CGEERN C#CCOC[C@H]1O[C@@H]1c1ccc(Cl)cc1Cl ZINC000584657002 346705794 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/nfs/dbraw/zinc/29/92/69/216299269.db2.gz XFXKVPQSSZZPKX-CQSZACIVSA-N 0 0 281.359 3.279 10 30 CGEERN CCSC[C@H](C)N(C)c1c(F)cc(C#N)cc1F ZINC000301742374 201170932 /nfs/dbraw/zinc/17/09/32/201170932.db2.gz LVQKAGOGMDNCEI-VIFPVBQESA-N 0 0 270.348 3.414 10 30 CGEERN COc1cc(C=O)ccc1Oc1cc(C)nc(C)c1C#N ZINC000301750424 201175674 /nfs/dbraw/zinc/17/56/74/201175674.db2.gz APQIHIZKWQITLP-UHFFFAOYSA-N 0 0 282.299 3.184 10 30 CGEERN CCNc1nnc(Sc2cc(C)nc(C)c2C#N)s1 ZINC000301752991 201176123 /nfs/dbraw/zinc/17/61/23/201176123.db2.gz BSQYSMZMYOQTRM-UHFFFAOYSA-N 0 0 291.405 3.005 10 30 CGEERN Cc1nc(CNc2cc(C)nc(C)c2C#N)sc1C ZINC000301785365 201196831 /nfs/dbraw/zinc/19/68/31/201196831.db2.gz OSMMWWAJEDHSNN-UHFFFAOYSA-N 0 0 272.377 3.256 10 30 CGEERN CO[C@H]1CCC[C@@H](Nc2cc(C#N)nc3ccccc32)C1 ZINC000301784641 201196001 /nfs/dbraw/zinc/19/60/01/201196001.db2.gz OWJJZWAFTAPYTH-OCCSQVGLSA-N 0 0 281.359 3.476 10 30 CGEERN N#Cc1ccc(N(CCO)Cc2ccsc2)cc1Cl ZINC000301840188 201225811 /nfs/dbraw/zinc/22/58/11/201225811.db2.gz OSMGTSIZIXVWSL-UHFFFAOYSA-N 0 0 292.791 3.272 10 30 CGEERN Cc1cc(NCC[C@](C)(O)c2ccccc2)c(C#N)c(C)n1 ZINC000302411030 201445877 /nfs/dbraw/zinc/44/58/77/201445877.db2.gz LOWFWIGYRLFBGJ-SFHVURJKSA-N 0 0 295.386 3.280 10 30 CGEERN Cc1ccc(NC(=O)C=NOC(=O)Nc2ccccc2)cc1 ZINC000000241773 368322664 /nfs/dbraw/zinc/32/26/64/368322664.db2.gz OJPWBOPXMVEQAW-GZTJUZNOSA-N 0 0 297.314 3.168 10 30 CGEERN Cc1ccc(NC(=S)N/N=C/c2ccc(O)cc2)cc1 ZINC000000502682 368379942 /nfs/dbraw/zinc/37/99/42/368379942.db2.gz ZFTGSQDGEHIOBY-MHWRWJLKSA-N 0 0 285.372 3.021 10 30 CGEERN COc1cccc(/C=N\c2cc(OC)ccc2OC)c1 ZINC000000524344 368382291 /nfs/dbraw/zinc/38/22/91/368382291.db2.gz CIJANDIMSDIUBC-BOPFTXTBSA-N 0 0 271.316 3.463 10 30 CGEERN COc1ccccc1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000013834203 368668446 /nfs/dbraw/zinc/66/84/46/368668446.db2.gz RMBNUUQDVHFRTK-SOFGYWHQSA-N 0 0 270.284 3.003 10 30 CGEERN COc1ccc(/C=C2\C#CCCCCC#C[C@@H]2O)cc1 ZINC000027860400 368877292 /nfs/dbraw/zinc/87/72/92/368877292.db2.gz LMAYSGPUCDCGCU-ZWFBASDOSA-N 0 0 266.340 3.020 10 30 CGEERN C[C@H](SCc1ccco1)C(=O)Nc1ccc(C#N)cc1 ZINC000034936615 368980375 /nfs/dbraw/zinc/98/03/75/368980375.db2.gz YJZCHTYGSMXJQM-NSHDSACASA-N 0 0 286.356 3.412 10 30 CGEERN C/C(=N/NC(=S)Nc1ccc(C)cc1)c1ccc(N)cc1 ZINC000033286484 368960733 /nfs/dbraw/zinc/96/07/33/368960733.db2.gz GAXXTEXSJRZAMB-UNOMPAQXSA-N 0 0 298.415 3.288 10 30 CGEERN N#Cc1ccc(-c2ccc(-c3ccc(C#N)cn3)o2)nc1 ZINC000038295065 369146853 /nfs/dbraw/zinc/14/68/53/369146853.db2.gz RSHXWLMBHAICDC-UHFFFAOYSA-N 0 0 272.267 3.147 10 30 CGEERN Cc1ccccc1[C@H](C)Nc1ncc([N+](=O)[O-])cc1C#N ZINC000049943007 369423795 /nfs/dbraw/zinc/42/37/95/369423795.db2.gz WYVBGZLAVFQRCP-NSHDSACASA-N 0 0 282.303 3.343 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NCc1cc(F)ccc1Br ZINC000054825899 369506990 /nfs/dbraw/zinc/50/69/90/369506990.db2.gz PDWONLPSMMCNDY-TVQRCGJNSA-N 0 0 297.171 3.370 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NCc1ccccc1Br ZINC000054826352 369507357 /nfs/dbraw/zinc/50/73/57/369507357.db2.gz CCSWOHIQXMGTCK-GWCFXTLKSA-N 0 0 279.181 3.231 10 30 CGEERN CC(C)(C)OC(=O)NCC1(CC=O)CCCCC1 ZINC000098095993 370263947 /nfs/dbraw/zinc/26/39/47/370263947.db2.gz IJRSBLBPYAPFTI-UHFFFAOYSA-N 0 0 255.358 3.051 10 30 CGEERN C=CCOCCC(F)(F)C(F)(F)Br ZINC000098210631 370269201 /nfs/dbraw/zinc/26/92/01/370269201.db2.gz AMLKVTOGOXBIRZ-UHFFFAOYSA-N 0 0 265.044 3.202 10 30 CGEERN Cc1nc([C@@H](C)Nc2ccc(C#N)cc2[N+](=O)[O-])cs1 ZINC000113427357 370474519 /nfs/dbraw/zinc/47/45/19/370474519.db2.gz YVWINRJWOGQHPW-MRVPVSSYSA-N 0 0 288.332 3.405 10 30 CGEERN C=CC[C@H](C)NC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000116938680 370575140 /nfs/dbraw/zinc/57/51/40/370575140.db2.gz FSSHZMCFNBMLET-GARJFASQSA-N 0 0 278.318 3.371 10 30 CGEERN C[C@@H]1SCCN(c2ccc(C#N)cc2F)[C@H]1C ZINC000134772000 371362516 /nfs/dbraw/zinc/36/25/16/371362516.db2.gz OPZUQFDCBBUBEN-UWVGGRQHSA-N 0 0 250.342 3.028 10 30 CGEERN C[C@@H]1CN(c2ccc(C#N)cc2Br)CCS1 ZINC000134793872 371365665 /nfs/dbraw/zinc/36/56/65/371365665.db2.gz OATBHBAAZSGZJR-SECBINFHSA-N 0 0 297.221 3.262 10 30 CGEERN C=CCNc1ncc(C(=O)N[C@H](C)c2ccc(C)o2)s1 ZINC000136102304 371459626 /nfs/dbraw/zinc/45/96/26/371459626.db2.gz VQPKUGKZAGVXFH-SNVBAGLBSA-N 0 0 291.376 3.133 10 30 CGEERN C=CCSCCNC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000172879936 373055578 /nfs/dbraw/zinc/05/55/78/373055578.db2.gz BJJIMNVVAQJTMA-UONOGXRCSA-N 0 0 267.438 3.238 10 30 CGEERN Cc1ccc([C@H]2CCCCN2C(=O)c2cc(C#N)c[nH]2)o1 ZINC000175778064 373518340 /nfs/dbraw/zinc/51/83/40/373518340.db2.gz YCCHAYCFOZEISD-CQSZACIVSA-N 0 0 283.331 3.155 10 30 CGEERN COc1ccccc1[C@H](C)CNc1ncccc1C#N ZINC000301170565 373681129 /nfs/dbraw/zinc/68/11/29/373681129.db2.gz JVQRAQFRLCYSOS-GFCCVEGCSA-N 0 0 267.332 3.177 10 30 CGEERN C[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1ccc(F)cc1C#N ZINC000177596368 373692745 /nfs/dbraw/zinc/69/27/45/373692745.db2.gz NFPCTAIXDBJFBY-QLJPJBMISA-N 0 0 296.301 3.201 10 30 CGEERN C[C@@H](Cc1cccc(F)c1)Nc1ncccc1C#N ZINC000301296318 373735261 /nfs/dbraw/zinc/73/52/61/373735261.db2.gz RYOYHOTVCOOPOE-NSHDSACASA-N 0 0 255.296 3.135 10 30 CGEERN CC(C)[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(C#N)n2)C1 ZINC000302743106 373949019 /nfs/dbraw/zinc/94/90/19/373949019.db2.gz RXSIHRZYQXVDSL-NWDGAFQWSA-N 0 0 288.351 3.488 10 30 CGEERN N#Cc1nc(Oc2ccc(F)cc2Cl)ccc1[N+](=O)[O-] ZINC000302691905 373930371 /nfs/dbraw/zinc/93/03/71/373930371.db2.gz CRHBMDOWXMNMLV-UHFFFAOYSA-N 0 0 293.641 3.446 10 30 CGEERN C[C@@H]1CC[C@@]2(CCN(c3c(C#N)cccc3C#N)C2)C1 ZINC000302887782 373997848 /nfs/dbraw/zinc/99/78/48/373997848.db2.gz NZRQPXIWDMTMEX-CXAGYDPISA-N 0 0 265.360 3.446 10 30 CGEERN O=C(N[C@H]1CCCO[C@@H]1c1ccncc1)[C@@H]1C[C@H]1C1CC1 ZINC000328653346 374375279 /nfs/dbraw/zinc/37/52/79/374375279.db2.gz LBRRTWLGVHVKRE-XUWVNRHRSA-N 0 0 286.375 3.304 10 30 CGEERN C=CC[C@H](C)NC(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000087107043 541941627 /nfs/dbraw/zinc/94/16/27/541941627.db2.gz HQCTZZNQJGTUQP-RYUDHWBXSA-N 0 0 264.344 3.459 10 30 CGEERN C[C@H](NC(=O)c1ccnc(C#N)c1)c1ccc(Cl)s1 ZINC000192639568 375775086 /nfs/dbraw/zinc/77/50/86/375775086.db2.gz UVFHXSXWGWDFKJ-QMMMGPOBSA-N 0 0 291.763 3.159 10 30 CGEERN CN1Cc2cc(N[C@@H]3CCC[C@H](C#N)C3)ccc2NC1=O ZINC000193304198 375856978 /nfs/dbraw/zinc/85/69/78/375856978.db2.gz UCMVYKDREFOWQA-WCQYABFASA-N 0 0 284.363 3.158 10 30 CGEERN CCC(C#N)(CC)C(=O)N1CCC(c2nccs2)CC1 ZINC000528364545 375898654 /nfs/dbraw/zinc/89/86/54/375898654.db2.gz MTXSKNBTAZMXAK-UHFFFAOYSA-N 0 0 291.420 3.179 10 30 CGEERN OC[C@@]1(CCCCCCOc2ccc(Cl)cc2)CO1 ZINC000196250266 376120082 /nfs/dbraw/zinc/12/00/82/376120082.db2.gz NMBAPQREPLNRTH-HNNXBMFYSA-N 0 0 284.783 3.431 10 30 CGEERN Cc1cc(Nc2cnn(C(C)C)c2)c(C#N)c(C)n1 ZINC000211662940 376134536 /nfs/dbraw/zinc/13/45/36/376134536.db2.gz NEGUQOVWJNNXMW-UHFFFAOYSA-N 0 0 255.325 3.091 10 30 CGEERN C=C(Cl)CN1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000247008271 377138753 /nfs/dbraw/zinc/13/87/53/377138753.db2.gz LLVSGFBJZQSGMI-NWDGAFQWSA-N 0 0 271.813 3.389 10 30 CGEERN C[C@H]1C[C@H](CCn2cnc(C#N)c2C#N)C[C@@H](C)C1 ZINC000248650623 377375974 /nfs/dbraw/zinc/37/59/74/377375974.db2.gz SCZAFGDXGUBSJR-ITGUQSILSA-N 0 0 256.353 3.089 10 30 CGEERN CN(C)c1ccc(C=N/N=C/c2ccc(N(C)C)cc2)cc1 ZINC000253529450 377695905 /nfs/dbraw/zinc/69/59/05/377695905.db2.gz UPHRISURECPMEH-SHTSLDKLSA-N 0 0 294.402 3.272 10 30 CGEERN NC(=O)c1ccc(N=Cc2c[nH]c3ccccc23)cc1 ZINC000254750115 377713557 /nfs/dbraw/zinc/71/35/57/377713557.db2.gz MJTNKOGVLCXKES-UHFFFAOYSA-N 0 0 263.300 3.017 10 30 CGEERN CCOC(=O)ON=C(C(=O)c1ccccc1)c1ccccc1 ZINC000254498147 377709216 /nfs/dbraw/zinc/70/92/16/377709216.db2.gz OCLNYWSLIPQUJX-UHFFFAOYSA-N 0 0 297.310 3.447 10 30 CGEERN CCOC(=O)Cc1c(CC)ccc(C(F)F)c1C#N ZINC000575389393 377897705 /nfs/dbraw/zinc/89/77/05/377897705.db2.gz FVFNCGXKQSYADG-UHFFFAOYSA-N 0 0 267.275 3.164 10 30 CGEERN CCOC(=O)c1ccc(CC)c(C#N)c1C(F)(F)F ZINC000575389821 377897708 /nfs/dbraw/zinc/89/77/08/377897708.db2.gz PUNQOHKPPFKRRZ-UHFFFAOYSA-N 0 0 271.238 3.316 10 30 CGEERN CCOC(=O)c1ccc(C(F)F)c(CC)c1C#N ZINC000575389735 377897747 /nfs/dbraw/zinc/89/77/47/377897747.db2.gz NWCUPRFUQZJDDD-UHFFFAOYSA-N 0 0 253.248 3.235 10 30 CGEERN CCOC(=O)c1cc(C#N)cc(OC(F)(F)F)c1Cl ZINC000575382947 377893569 /nfs/dbraw/zinc/89/35/69/377893569.db2.gz WTCFXSDZEMSNFA-UHFFFAOYSA-N 0 0 293.628 3.287 10 30 CGEERN CCOC(=O)c1cc(Cl)cc(C#N)c1C(F)(F)F ZINC000575383281 377893588 /nfs/dbraw/zinc/89/35/88/377893588.db2.gz NDRWLZCVVVKNTK-UHFFFAOYSA-N 0 0 277.629 3.407 10 30 CGEERN COC(=O)c1ccc(C#N)c(Cl)c1C(F)(F)F ZINC000575383292 377893612 /nfs/dbraw/zinc/89/36/12/377893612.db2.gz NNFZKJCLZAWYRC-UHFFFAOYSA-N 0 0 263.602 3.017 10 30 CGEERN COC(=O)Cc1cc(C#N)cc(C(F)(F)F)c1C(F)F ZINC000575387382 377895944 /nfs/dbraw/zinc/89/59/44/377895944.db2.gz LOHLBWYAZKDEIX-UHFFFAOYSA-N 0 0 293.191 3.230 10 30 CGEERN CCOC(=O)Cc1c(C#N)cc(C(F)(F)F)cc1CC ZINC000575389620 377897357 /nfs/dbraw/zinc/89/73/57/377897357.db2.gz MZTHKXDEQPTQLG-UHFFFAOYSA-N 0 0 285.265 3.245 10 30 CGEERN C[C@@H]1CCC[C@@](C#N)(NC(=O)OC(C)(C)C)CC1 ZINC000575496982 377916490 /nfs/dbraw/zinc/91/64/90/377916490.db2.gz QQOVTBNISITOLK-BXUZGUMPSA-N 0 0 252.358 3.374 10 30 CGEERN C#CC(=O)c1scc(Br)c1Br ZINC000575569549 377919664 /nfs/dbraw/zinc/91/96/64/377919664.db2.gz VVBIMLQERGVQNT-UHFFFAOYSA-N 0 0 293.967 3.089 10 30 CGEERN CCOc1c(CC)cc(CC#N)cc1OC(F)F ZINC000575657811 377933925 /nfs/dbraw/zinc/93/39/25/377933925.db2.gz ZEBVFQVOUAEHNB-UHFFFAOYSA-N 0 0 255.264 3.315 10 30 CGEERN N#Cc1c(OC(F)F)cc(F)cc1OC(F)(F)F ZINC000575660761 377936925 /nfs/dbraw/zinc/93/69/25/377936925.db2.gz WKFMYFDNTLQDJE-UHFFFAOYSA-N 0 0 271.116 3.197 10 30 CGEERN N#CCc1c(OC(F)F)cc(O)cc1C(F)(F)F ZINC000575662151 377938699 /nfs/dbraw/zinc/93/86/99/377938699.db2.gz RTHRQMSHATVETP-UHFFFAOYSA-N 0 0 267.153 3.078 10 30 CGEERN COc1c(OC(F)F)ccc(C(F)(F)F)c1CC#N ZINC000575664839 377940601 /nfs/dbraw/zinc/94/06/01/377940601.db2.gz LOITXERKIVKZGE-UHFFFAOYSA-N 0 0 281.180 3.381 10 30 CGEERN COC(=O)Cc1ccc(SC(F)(F)F)c(C)c1C#N ZINC000575395569 377903952 /nfs/dbraw/zinc/90/39/52/377903952.db2.gz HSQYGLAQPJKYCE-UHFFFAOYSA-N 0 0 289.278 3.194 10 30 CGEERN N#CCc1ncc(C(F)(F)F)cc1C(F)(F)F ZINC000575397521 377904626 /nfs/dbraw/zinc/90/46/26/377904626.db2.gz DGKXCHZEDHNVLT-UHFFFAOYSA-N 0 0 254.133 3.185 10 30 CGEERN COc1cc(CC#N)c(C(F)F)cc1Br ZINC000575684283 377959341 /nfs/dbraw/zinc/95/93/41/377959341.db2.gz FGQPVBLRUQNFGP-UHFFFAOYSA-N 0 0 276.080 3.461 10 30 CGEERN COc1c(CC#N)cc(Br)cc1C(F)F ZINC000575684940 377960256 /nfs/dbraw/zinc/96/02/56/377960256.db2.gz JPAGOPQMSGMSGM-UHFFFAOYSA-N 0 0 276.080 3.461 10 30 CGEERN N#Cc1cc(OC(F)(F)F)c(Br)cc1F ZINC000575685924 377961111 /nfs/dbraw/zinc/96/11/11/377961111.db2.gz AXEIIRFSMSYMHK-UHFFFAOYSA-N 0 0 284.006 3.358 10 30 CGEERN N#CCc1c(Br)c(O)ccc1C(F)F ZINC000575688099 377963148 /nfs/dbraw/zinc/96/31/48/377963148.db2.gz ZXYTWKFYUFWUJU-UHFFFAOYSA-N 0 0 262.053 3.158 10 30 CGEERN N#Cc1c(Br)ccc(F)c1OC(F)(F)F ZINC000575689547 377964170 /nfs/dbraw/zinc/96/41/70/377964170.db2.gz RHTKLEMYRWXVAK-UHFFFAOYSA-N 0 0 284.006 3.358 10 30 CGEERN N#Cc1cc(C(F)(F)F)c(Cl)cc1[N+](=O)[O-] ZINC000575693970 377968688 /nfs/dbraw/zinc/96/86/88/377968688.db2.gz GGBGECZRUUXFMJ-UHFFFAOYSA-N 0 0 250.563 3.139 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)CSc1ccccc1Cl ZINC000359669901 381360424 /nfs/dbraw/zinc/36/04/24/381360424.db2.gz DXEWUNACMLHNRQ-PWSUYJOCSA-N 0 0 294.807 3.241 10 30 CGEERN CCO/C=C/C(=O)c1cc(Br)cs1 ZINC000229858870 542302082 /nfs/dbraw/zinc/30/20/82/542302082.db2.gz NXIUQKZBEQAESS-ONEGZZNKSA-N 0 0 261.140 3.244 10 30 CGEERN CC1(C)CCC(NC(=O)[C@@H]2CCCC(=O)N2)(C(N)=O)CC1 ZINC000328882861 542445211 /nfs/dbraw/zinc/44/52/11/542445211.db2.gz MAPNWHVPOLKYDT-JTQLQIEISA-N 0 0 295.383 3.326 10 30 CGEERN O=C(N[C@H]1CCCC(F)(F)C1)[C@@H]1CCCC(=O)N1 ZINC000328803641 542445394 /nfs/dbraw/zinc/44/53/94/542445394.db2.gz BJAIJWCZAXHCLP-IUCAKERBSA-N 0 0 260.284 3.030 10 30 CGEERN O=C(N[C@@H]1CCCC[C@@H]1O)N[C@H]1CCCCC12CCCC2 ZINC000329638913 542447860 /nfs/dbraw/zinc/44/78/60/542447860.db2.gz AYCYZSONWGBFRW-ILXRZTDVSA-N 0 0 294.439 3.297 10 30 CGEERN Cc1ccnc(N[C@H]2CCOc3ccccc32)c1C#N ZINC000135075084 392471005 /nfs/dbraw/zinc/47/10/05/392471005.db2.gz UCKXYXFTCQDWQS-AWEZNQCLSA-N 0 0 265.316 3.197 10 30 CGEERN Cc1nn(C[C@@H]2C[C@H]2c2ccccc2)c(C)c1C#N ZINC000575602630 393201741 /nfs/dbraw/zinc/20/17/41/393201741.db2.gz RGCVVAITUNPWAJ-GJZGRUSLSA-N 0 0 251.333 3.175 10 30 CGEERN C=CC[C@@]1(C(=O)OCC)CCCCN1C(=O)OC(C)(C)C ZINC000606241603 397714593 /nfs/dbraw/zinc/71/45/93/397714593.db2.gz CIJLMTWZPMPZHX-INIZCTEOSA-N 0 0 297.395 3.285 10 30 CGEERN CC(C)CC[C@@](C)(O)C#C[C@@](C)(O)CCC(C)C ZINC000005759171 170137935 /nfs/dbraw/zinc/13/79/35/170137935.db2.gz RHRRUYIZUBAQTQ-IYBDPMFKSA-N 0 0 254.414 3.364 10 30 CGEERN C=CCNC(=O)/C=C\c1c(Cl)cccc1Cl ZINC000005830734 170144856 /nfs/dbraw/zinc/14/48/56/170144856.db2.gz PXSDEHFVUVDOIK-SREVYHEPSA-N 0 0 256.132 3.309 10 30 CGEERN Oc1ccc(CN=Nc2c(F)c(F)cc(F)c2F)cc1 ZINC000005944539 170160534 /nfs/dbraw/zinc/16/05/34/170160534.db2.gz NESYAULJRHJRQE-NGYBGAFCSA-N 0 0 284.212 3.395 10 30 CGEERN C/C(=N/N=C1/NC(=O)[C@@H](C)S1)c1ccc2ccccc2c1 ZINC000006260611 170186203 /nfs/dbraw/zinc/18/62/03/170186203.db2.gz JDMOYGTZEKSUOC-IPHDDYSGSA-N 0 0 297.383 3.171 10 30 CGEERN COC(=O)c1ccccc1NC=CC(=O)c1ccccc1 ZINC000006274759 170187663 /nfs/dbraw/zinc/18/76/63/170187663.db2.gz SBESDARNKAXZFH-VAWYXSNFSA-N 0 0 281.311 3.282 10 30 CGEERN COc1ccc(COc2ccc(C#N)cc2)cc1OC ZINC000019422634 170792905 /nfs/dbraw/zinc/79/29/05/170792905.db2.gz YNQMFSHBPZLAEV-UHFFFAOYSA-N 0 0 269.300 3.154 10 30 CGEERN N#C[C@@H](NC1CCCCCC1)c1ccc2c(c1)OCO2 ZINC000020175815 171042197 /nfs/dbraw/zinc/04/21/97/171042197.db2.gz YMGKIIDIWHCNCF-CQSZACIVSA-N 0 0 272.348 3.292 10 30 CGEERN C[C@@H](NCCC#N)c1ccc(OC(F)(F)F)cc1 ZINC000020200031 171064073 /nfs/dbraw/zinc/06/40/73/171064073.db2.gz NGZZQZSCOHMRFT-SECBINFHSA-N 0 0 258.243 3.149 10 30 CGEERN C=CCn1c(SCc2ccccn2)nnc1C(C)(C)C ZINC000020839026 171275702 /nfs/dbraw/zinc/27/57/02/171275702.db2.gz JDRHIUGKLYSBBS-UHFFFAOYSA-N 0 0 288.420 3.449 10 30 CGEERN N#Cc1ccc(NC(=O)Nc2cc(Cl)ccc2N)cc1 ZINC000022215895 171375722 /nfs/dbraw/zinc/37/57/22/171375722.db2.gz LYPRUWOSWHHSIA-UHFFFAOYSA-N 0 0 286.722 3.438 10 30 CGEERN Cc1ccc2[nH]c(Sc3ncccc3C#N)nc2c1 ZINC000022797645 171399211 /nfs/dbraw/zinc/39/92/11/171399211.db2.gz UBSORNWDLZAZGC-UHFFFAOYSA-N 0 0 266.329 3.289 10 30 CGEERN C[C@H](O)c1ccc(OCc2ccc(C#N)cc2F)cc1 ZINC000035199423 172044664 /nfs/dbraw/zinc/04/46/64/172044664.db2.gz XJKGXBYXPCQQCU-NSHDSACASA-N 0 0 271.291 3.330 10 30 CGEERN C[C@@H](O)c1ccc(OCc2ccc(C#N)cc2F)cc1 ZINC000035199426 172044752 /nfs/dbraw/zinc/04/47/52/172044752.db2.gz XJKGXBYXPCQQCU-LLVKDONJSA-N 0 0 271.291 3.330 10 30 CGEERN CCn1cc(C(=O)/C=C\c2ccc(C)cc2)c(C)n1 ZINC000035678170 172349274 /nfs/dbraw/zinc/34/92/74/172349274.db2.gz ZKTKONRYQNTRTM-KTKRTIGZSA-N 0 0 254.333 3.416 10 30 CGEERN C[C@H](C#N)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000036240622 172537721 /nfs/dbraw/zinc/53/77/21/172537721.db2.gz HBOHMXPXFOORGL-ZCFIWIBFSA-N 0 0 276.645 3.457 10 30 CGEERN CSc1ccc([C@H](C#N)NCC(F)(F)F)cc1 ZINC000037970848 173921434 /nfs/dbraw/zinc/92/14/34/173921434.db2.gz UOGKCDDRGZWSHO-JTQLQIEISA-N 0 0 260.284 3.125 10 30 CGEERN COc1ccc([C@@H](C#N)NCC2CC2)cc1Br ZINC000038052304 174064189 /nfs/dbraw/zinc/06/41/89/174064189.db2.gz QNCLWJIEZLISFW-GFCCVEGCSA-N 0 0 295.180 3.022 10 30 CGEERN CC[C@@H](C)N[C@@H](C#N)c1ccc(OC(F)F)cc1 ZINC000038064670 174075500 /nfs/dbraw/zinc/07/55/00/174075500.db2.gz WVJAESXCIJDPNX-SKDRFNHKSA-N 0 0 254.280 3.241 10 30 CGEERN CCNC(=S)N/N=C(/C)c1cc(Cl)ccc1Cl ZINC000038199540 174136687 /nfs/dbraw/zinc/13/66/87/174136687.db2.gz APMIMNFEDSKGHC-CHHVJCJISA-N 0 0 290.219 3.201 10 30 CGEERN N#C[C@@H](NC(=O)NC1CCCCC1)C1CCCCC1 ZINC000040220668 174206837 /nfs/dbraw/zinc/20/68/37/174206837.db2.gz RPJLWPKZOSDXPH-CQSZACIVSA-N 0 0 263.385 3.091 10 30 CGEERN C=CCn1c(CNC(=O)C(CC)CC)nc2ccccc21 ZINC000040274993 174218715 /nfs/dbraw/zinc/21/87/15/174218715.db2.gz BUGCNTGMYZXEJV-UHFFFAOYSA-N 0 0 285.391 3.275 10 30 CGEERN C=CCNc1ncnc(Nc2ccccc2C)c1[N+](=O)[O-] ZINC000040598733 174349606 /nfs/dbraw/zinc/34/96/06/174349606.db2.gz UMNGRNJRLAIUNP-UHFFFAOYSA-N 0 0 285.307 3.035 10 30 CGEERN CCN(CCC#N)c1ccc(C(F)(F)F)cc1N ZINC000044413338 175172534 /nfs/dbraw/zinc/17/25/34/175172534.db2.gz CSMRRBRPXJAFFE-UHFFFAOYSA-N 0 0 257.259 3.028 10 30 CGEERN CCc1ccc([C@@H](C)Nc2cnc(C#N)cn2)cc1 ZINC000071177856 176055775 /nfs/dbraw/zinc/05/57/75/176055775.db2.gz FQKUTFNNSUTJLQ-LLVKDONJSA-N 0 0 252.321 3.084 10 30 CGEERN COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000077988726 177315219 /nfs/dbraw/zinc/31/52/19/177315219.db2.gz JNTDJJPQBWHDGN-UHFFFAOYSA-N 0 0 264.087 3.101 10 30 CGEERN NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H]1CCCCC(=O)N1 ZINC000329846586 227965619 /nfs/dbraw/zinc/96/56/19/227965619.db2.gz OYFMTWCQGFYTAI-TUAOUCFPSA-N 0 0 295.383 3.326 10 30 CGEERN Cc1nc(C)c(NC(=O)C[C@@H](C)N2CCCCC2=O)s1 ZINC000329925468 227987530 /nfs/dbraw/zinc/98/75/30/227987530.db2.gz JVUNHAIRSHQKHT-SECBINFHSA-N 0 0 295.408 3.139 10 30 CGEERN N#C[C@]1(c2nc(CCC(F)(F)F)no2)CC12CCCC2 ZINC000333803708 228215106 /nfs/dbraw/zinc/21/51/06/228215106.db2.gz GSBIMNXCYGEWKI-LBPRGKRZSA-N 0 0 285.269 3.290 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NCc1cccc(C(F)F)c1 ZINC000156007864 260777680 /nfs/dbraw/zinc/77/76/80/260777680.db2.gz WWUMTNWNFNUGGF-QWHCGFSZSA-N 0 0 250.292 3.406 10 30 CGEERN C[C@@H]1CCC[C@@H]1NC(=O)C[C@H]1CCCCC(=O)N1 ZINC000328639192 263831163 /nfs/dbraw/zinc/83/11/63/263831163.db2.gz DQABQSUVZSRITM-UTUOFQBUSA-N 0 0 252.358 3.421 10 30 CGEERN C=CCC(CC=C)C(=O)N[C@@H]1COc2ccccc21 ZINC000128014146 264273765 /nfs/dbraw/zinc/27/37/65/264273765.db2.gz JDGQJKMDSVNUDK-CQSZACIVSA-N 0 0 257.333 3.005 10 30 CGEERN C[C@@H]1C[C@@H]1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000103085226 270045460 /nfs/dbraw/zinc/04/54/60/270045460.db2.gz ZLLRJWHMJNORJB-PXAZEXFGSA-N 0 0 292.338 3.489 10 30 CGEERN CC1(C)C[C@H](Nc2ccc(C#N)nn2)c2ccccc2O1 ZINC000301926092 265971255 /nfs/dbraw/zinc/97/12/55/265971255.db2.gz GYHDNOFIMVHOOV-ZDUSSCGKSA-N 0 0 280.331 3.063 10 30 CGEERN Cc1ccc(C)c(SCC(=O)N[C@H]2CCC[C@H]2C#N)c1 ZINC000359681757 266623064 /nfs/dbraw/zinc/62/30/64/266623064.db2.gz UXTLGKGXWGWRCJ-KBPBESRZSA-N 0 0 288.416 3.204 10 30 CGEERN CC(C)(C)OC(=O)N1CC[C@@]2(CC[C@@H](CS)C2)C1 ZINC000095084650 277192435 /nfs/dbraw/zinc/19/24/35/277192435.db2.gz GBTFOCOZERFEOQ-BXUZGUMPSA-N 0 0 271.426 3.344 10 30 CGEERN CO[C@H]1CCC[C@H](Nc2c(C#N)cnc3ccccc32)C1 ZINC000301757977 277740228 /nfs/dbraw/zinc/74/02/28/277740228.db2.gz FANIUMXPRURKHY-KBPBESRZSA-N 0 0 281.359 3.476 10 30 CGEERN CC(=O)O[C@H]1C[C@H]2[C@H](C)CC(=O)C(=C(C)C)[C@H]2C=C1C ZINC000014444991 278222047 /nfs/dbraw/zinc/22/20/47/278222047.db2.gz HIEJMYXUMUNVKS-NCFRWKGYSA-N 0 0 276.376 3.446 10 30 biogenic CGEERN C[C@H]1CC(CNc2ccc(C#N)cc2F)C[C@H](C)O1 ZINC000281814510 279637596 /nfs/dbraw/zinc/63/75/96/279637596.db2.gz JJBWVTNAMJYOPC-QWRGUYRKSA-N 0 0 262.328 3.313 10 30 CGEERN N#Cc1c(Cl)cccc1N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000227372994 303174467 /nfs/dbraw/zinc/17/44/67/303174467.db2.gz URWRJHQLDSNPFV-LRDDRELGSA-N 0 0 290.794 3.343 10 30 CGEERN C=CCOc1cccc(NC(=O)N[C@@H](C)C(C)C)c1 ZINC000048955439 328326840 /nfs/dbraw/zinc/32/68/40/328326840.db2.gz RZXMWWCOPWSYHX-LBPRGKRZSA-N 0 0 262.353 3.417 10 30 CGEERN C=CCOCCCC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000173268060 329144218 /nfs/dbraw/zinc/14/42/18/329144218.db2.gz DUBBAOIUUAMVFZ-NWDGAFQWSA-N 0 0 293.329 3.207 10 30 CGEERN C=CCCCC(=O)N1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000177212449 329181934 /nfs/dbraw/zinc/18/19/34/329181934.db2.gz DIPDIUQTTFFLNH-UONOGXRCSA-N 0 0 277.364 3.050 10 30 CGEERN C[C@@H](C#N)N(C)CCCc1cc(-c2ccccc2)no1 ZINC000181668491 329235542 /nfs/dbraw/zinc/23/55/42/329235542.db2.gz XJIPGUIUQHIPCW-ZDUSSCGKSA-N 0 0 269.348 3.118 10 30 CGEERN C[C@H](C#N)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000194273735 329685776 /nfs/dbraw/zinc/68/57/76/329685776.db2.gz BLQVEZBFIWJEHQ-ZYHUDNBSSA-N 0 0 257.362 3.345 10 30 CGEERN Cc1ccc(S(=O)(=O)OC[C@@H](C)C(C)(C)C)cc1 ZINC000536958132 330383745 /nfs/dbraw/zinc/38/37/45/330383745.db2.gz HPBABXASOMTQFD-GFCCVEGCSA-N 0 0 270.394 3.383 10 30 CGEERN CC(C)CN(CC[NH+](C)C)c1cccc(Cl)c1C#N ZINC000052908943 519717048 /nfs/dbraw/zinc/71/70/48/519717048.db2.gz XXSCCJRJFBGWGZ-UHFFFAOYSA-N 0 0 279.815 3.236 10 30 CGEERN CCC[C@@H](C)N(C)c1ccc(/C(N)=N/O)cc1Cl ZINC000062794477 520647925 /nfs/dbraw/zinc/64/79/25/520647925.db2.gz USTNYZKDZOMCJF-SECBINFHSA-N 0 0 269.776 3.059 10 30 CGEERN CC(C)(C)c1csc(Nc2ncccc2C#N)n1 ZINC000049500113 519088211 /nfs/dbraw/zinc/08/82/11/519088211.db2.gz SMWPXOLIHQNVHU-UHFFFAOYSA-N 0 0 258.350 3.451 10 30 CGEERN CCN[C@H](C#N)CCOc1cccc2ccccc21 ZINC000062446820 520162053 /nfs/dbraw/zinc/16/20/53/520162053.db2.gz MQSCAQZCCSWXJI-AWEZNQCLSA-N 0 0 254.333 3.110 10 30 CGEERN CCOC(=O)[C@@H](/N=C\c1ccccc1)c1ccccc1 ZINC000255004048 520999075 /nfs/dbraw/zinc/99/90/75/520999075.db2.gz LOPYPCFPVBVOPQ-CQUHBBLWSA-N 0 0 267.328 3.410 10 30 CGEERN CN[C@](C#N)(CSC1CCCC1)c1ccccc1 ZINC000062830821 522511174 /nfs/dbraw/zinc/51/11/74/522511174.db2.gz AVFCVOIUAXALDW-OAHLLOKOSA-N 0 0 260.406 3.301 10 30 CGEERN Cc1cc(NCc2cccc(C#N)c2)c(C#N)c(C)n1 ZINC000156837771 525280083 /nfs/dbraw/zinc/28/00/83/525280083.db2.gz WJWSJJRPCFLIEX-UHFFFAOYSA-N 0 0 262.316 3.054 10 30 CGEERN Cc1ccc(OCc2cccnc2C#N)c(Cl)c1 ZINC000061664976 525444767 /nfs/dbraw/zinc/44/47/67/525444767.db2.gz HBDIDHNQSZSDRT-UHFFFAOYSA-N 0 0 258.708 3.494 10 30 CGEERN C=C(C)CN(C)c1ccc(-c2ccc(F)cc2)nn1 ZINC000302073503 526505660 /nfs/dbraw/zinc/50/56/60/526505660.db2.gz WTVCMXABPKSFSA-UHFFFAOYSA-N 0 0 257.312 3.295 10 30 CGEERN N/C(=N/O)c1ccc(Cl)cc1Oc1ccc(F)cc1 ZINC000062789601 526803496 /nfs/dbraw/zinc/80/34/96/526803496.db2.gz FIBLGSWTQJXLIL-UHFFFAOYSA-N 0 0 280.686 3.366 10 30 CGEERN CCC1CCC(NC(=O)Nc2ccnnc2C)CC1 ZINC000330104317 527822920 /nfs/dbraw/zinc/82/29/20/527822920.db2.gz GWBJTGUSJOWRQB-UHFFFAOYSA-N 0 0 262.357 3.080 10 30 CGEERN CC(C)n1cc2cc(NC(=O)N[C@H]3C[C@H]3C)ccc2n1 ZINC000330026257 528583074 /nfs/dbraw/zinc/58/30/74/528583074.db2.gz LGTFVYZLTPEXQD-YGRLFVJLSA-N 0 0 272.352 3.352 10 30 CGEERN CC[C@@H](C)C(=O)SCC[C@@H](S)CCCCC(N)=O ZINC000016343182 571739838 /nfs/dbraw/zinc/73/98/38/571739838.db2.gz UFNCWFSSEGPJNL-MNOVXSKESA-N 0 0 291.482 3.027 10 30 endogenous,in-man CGEERN C[C@H](O)c1cccc(OCc2ccc(F)cc2C#N)c1 ZINC000085267032 618603405 /nfs/dbraw/zinc/60/34/05/618603405.db2.gz JOCXFNGPLFQDMT-NSHDSACASA-N 0 0 271.291 3.330 10 30 CGEERN CCCCCCCCCC(=O)NCC1CC(O)C1 ZINC000091416241 618656694 /nfs/dbraw/zinc/65/66/94/618656694.db2.gz XKUWAKPWMDFZGA-UHFFFAOYSA-N 0 0 255.402 3.014 10 30 CGEERN COc1cc(C#N)ccc1OC(=O)c1ccc2cc[nH]c2c1 ZINC000049361503 619744484 /nfs/dbraw/zinc/74/44/84/619744484.db2.gz MQGLQQYYQWOYIK-UHFFFAOYSA-N 0 0 292.294 3.267 10 30 CGEERN C=CCOCCCC(=O)O[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000174406106 623390695 /nfs/dbraw/zinc/39/06/95/623390695.db2.gz LIXMWBHMBOELQM-HUUCEWRRSA-N 0 0 296.407 3.250 10 30 CGEERN C=CCCC[C@H](C)NC(=O)N[C@@H]1COc2ccccc21 ZINC000180637321 624762277 /nfs/dbraw/zinc/76/22/77/624762277.db2.gz IDXOZNTXRPMFKT-GXTWGEPZSA-N 0 0 274.364 3.164 10 30 CGEERN C=CCCC(=O)Oc1ccc(F)cc1Br ZINC000102324331 634719003 /nfs/dbraw/zinc/71/90/03/634719003.db2.gz RJPUKTGSHPBXLS-UHFFFAOYSA-N 0 0 273.101 3.460 10 30 CGEERN CCn1nc(C(F)(F)C(F)(F)F)c(C(F)(F)F)c1N ZINC000757138506 630586401 /nfs/dbraw/zinc/58/64/01/630586401.db2.gz WZSZDXBVUMBZGS-UHFFFAOYSA-N 0 0 297.149 3.158 10 30 CGEERN CC1(C)C(c2c(Br)[nH]c(N)c2C#N)C1(C)C ZINC000757170438 630587772 /nfs/dbraw/zinc/58/77/72/630587772.db2.gz FGVCEDIPQRITIC-UHFFFAOYSA-N 0 0 282.185 3.381 10 30 CGEERN CC(=O)[C@H]1CCCN(c2ccc(C#N)c(Cl)c2)C1 ZINC000104415839 638033590 /nfs/dbraw/zinc/03/35/90/638033590.db2.gz KVKMCVBDXSUJGR-LBPRGKRZSA-N 0 0 262.740 3.017 10 30 CGEERN N#C[C@H](COC(=O)[C@@H]1C[C@@H]1C1CC1)Cc1cccs1 ZINC000089299362 640637967 /nfs/dbraw/zinc/63/79/67/640637967.db2.gz PAKMQXBRCUXISZ-LERXQTSPSA-N 0 0 275.373 3.020 10 30 CGEERN CC(=O)Oc1cc(OCc2ccccc2)ccc1C#N ZINC000090443425 640680269 /nfs/dbraw/zinc/68/02/69/640680269.db2.gz IHHZQRXSICGFND-UHFFFAOYSA-N 0 0 267.284 3.063 10 30 CGEERN C=CCNc1nc(-c2ccco2)nc2ccccc21 ZINC000096195996 640824293 /nfs/dbraw/zinc/82/42/93/640824293.db2.gz CJJTUELHLRZHOC-UHFFFAOYSA-N 0 0 251.289 3.488 10 30 CGEERN C=CC[C@H](OC(=O)/C=C\c1ccncn1)c1ccccc1 ZINC000588539747 799709601 /nfs/dbraw/zinc/70/96/01/799709601.db2.gz LTBRLLHORZRMSK-YDZSZYSISA-N 0 0 280.327 3.350 10 30 CGEERN CC[C@@H](CC#N)OC(=O)/C=C(/C)c1cccc(OC)c1 ZINC000588557951 799711113 /nfs/dbraw/zinc/71/11/13/799711113.db2.gz LJUFSMJOPFPXDR-HCYCVZQXSA-N 0 0 273.332 3.334 10 30 CGEERN CC[C@@H](CC#N)OC(=O)/C=C\SCc1ccco1 ZINC000588558160 799711466 /nfs/dbraw/zinc/71/14/66/799711466.db2.gz GTWBVRWKAIJPKG-WDDYJBPVSA-N 0 0 265.334 3.262 10 30 CGEERN O=C(/C=C\c1cocn1)c1ccc([N+](=O)[O-])cc1Cl ZINC000588580364 799717103 /nfs/dbraw/zinc/71/71/03/799717103.db2.gz OCWZAATTYOMDKH-RJRFIUFISA-N 0 0 278.651 3.132 10 30 CGEERN CCC(=O)[C@H](C#N)Cc1ccc(Br)cc1 ZINC000095642991 185017163 /nfs/dbraw/zinc/01/71/63/185017163.db2.gz VCWLETPAGXYAMK-JTQLQIEISA-N 0 0 266.138 3.110 10 30 CGEERN CC(C)(C)OC(=O)NCc1ccc(C#N)cc1Cl ZINC000095756456 185026165 /nfs/dbraw/zinc/02/61/65/185026165.db2.gz CZDFVHVDBCSNAJ-UHFFFAOYSA-N 0 0 266.728 3.236 10 30 CGEERN Cc1ccc([C@@H](C)NC(=O)Nc2ccc(F)cc2C#N)o1 ZINC000097036641 185166034 /nfs/dbraw/zinc/16/60/34/185166034.db2.gz KPUKIVRWBAYYIL-SNVBAGLBSA-N 0 0 287.294 3.482 10 30 CGEERN N#C[C@]1(Nc2ccccc2)CCN(Cc2ccccc2)C1 ZINC000037935211 344954354 /nfs/dbraw/zinc/95/43/54/344954354.db2.gz PGANTQUISGXZES-GOSISDBHSA-N 0 0 277.371 3.267 10 30 CGEERN C=CCOc1cc(C)c(C)cc1C(=O)N(CC)CC ZINC000038978517 344956819 /nfs/dbraw/zinc/95/68/19/344956819.db2.gz XLGDTAQRJWPZRU-UHFFFAOYSA-N 0 0 261.365 3.350 10 30 CGEERN CN(c1ccc(N)c(C#N)n1)c1cccc2ccccc21 ZINC000039001906 344957387 /nfs/dbraw/zinc/95/73/87/344957387.db2.gz WWOQMEBQNICGAJ-UHFFFAOYSA-N 0 0 274.327 3.457 10 30 CGEERN Cc1cc(Br)ccc1C(=O)[C@@H](C)C#N ZINC000036830458 344945059 /nfs/dbraw/zinc/94/50/59/344945059.db2.gz LXVZFBSNVKUZAA-QMMMGPOBSA-N 0 0 252.111 3.100 10 30 CGEERN C[C@]1(c2ccccc2Br)CC(=O)C=CO1 ZINC000069852266 345386273 /nfs/dbraw/zinc/38/62/73/345386273.db2.gz DMGAYPYSHPFOCB-GFCCVEGCSA-N 0 0 267.122 3.167 10 30 CGEERN O=C1C=CO[C@@H](c2cc(Br)cs2)C1 ZINC000069850459 345386367 /nfs/dbraw/zinc/38/63/67/345386367.db2.gz BLQRJPMOMVRQIW-MRVPVSSYSA-N 0 0 259.124 3.055 10 30 CGEERN CCCN(c1ccc([N+](=O)[O-])c(C#N)c1)[C@H](C)CC ZINC000090448192 345787886 /nfs/dbraw/zinc/78/78/86/345787886.db2.gz FZEMAAHHMRKGHI-LLVKDONJSA-N 0 0 261.325 3.481 10 30 CGEERN C[C@H](NC(=O)C1(C#N)CC(C)C1)c1cccc(Cl)c1 ZINC000125729899 346018217 /nfs/dbraw/zinc/01/82/17/346018217.db2.gz MPLHZRAFKXGPNC-VTWZXRTESA-N 0 0 276.767 3.457 10 30 CGEERN C#CCC(=O)c1ccc(Cl)c(Br)c1 ZINC000126739144 346026936 /nfs/dbraw/zinc/02/69/36/346026936.db2.gz UXMURJZZZIKZJS-UHFFFAOYSA-N 0 0 257.514 3.309 10 30 CGEERN Cc1cc(Br)c(NCC#N)cc1Cl ZINC000131748987 346067568 /nfs/dbraw/zinc/06/75/68/346067568.db2.gz IOTWVWVITBXTGK-UHFFFAOYSA-N 0 0 259.534 3.346 10 30 CGEERN COc1ccc(-c2ccc(C#N)cc2)cc1[C@H](C)O ZINC000143149211 346112801 /nfs/dbraw/zinc/11/28/01/346112801.db2.gz QWQQOVWLQIMEIO-NSHDSACASA-N 0 0 253.301 3.287 10 30 CGEERN COC1(c2ccccc2C)CCC(=NOC(C)=O)CC1 ZINC000145749428 346121773 /nfs/dbraw/zinc/12/17/73/346121773.db2.gz RZBSZSVNGBKSKK-UHFFFAOYSA-N 0 0 275.348 3.330 10 30 CGEERN C[C@](C#N)(c1ccc(-c2cnc(N)nc2)cc1)C1CCC1 ZINC000146471068 346123789 /nfs/dbraw/zinc/12/37/89/346123789.db2.gz VYMUMFFFOUCKJP-QGZVFWFLSA-N 0 0 278.359 3.307 10 30 CGEERN Cc1ccc(/C(Cc2ccccc2[N+](=O)[O-])=N\O)cc1 ZINC000146743295 346124008 /nfs/dbraw/zinc/12/40/08/346124008.db2.gz XNZQJMYELFJPKP-PEZBUJJGSA-N 0 0 270.288 3.324 10 30 CGEERN COc1ccc2c(c1)C(=O)/C(=C/c1ccccc1OC)O2 ZINC000169516008 346192442 /nfs/dbraw/zinc/19/24/42/346192442.db2.gz AFLKCLMPPZSEFR-SXGWCWSVSA-N 0 0 282.295 3.320 10 30 CGEERN N#Cc1ccc(CC(=O)N2CCC[C@H]2c2ccco2)cc1 ZINC000172242671 346217368 /nfs/dbraw/zinc/21/73/68/346217368.db2.gz MQKNZNIJFGFGJZ-HNNXBMFYSA-N 0 0 280.327 3.057 10 30 CGEERN C=CCc1cc(C(=O)c2ccc(F)cc2)ccc1O ZINC000211526675 346286115 /nfs/dbraw/zinc/28/61/15/346286115.db2.gz ABMIDKXQMKJHPB-UHFFFAOYSA-N 0 0 256.276 3.491 10 30 CGEERN C[C@H](CO)c1ccc(OCc2ccccc2C#N)cc1 ZINC000196396829 346275683 /nfs/dbraw/zinc/27/56/83/346275683.db2.gz KQLONGWIUZYMNO-CYBMUJFWSA-N 0 0 267.328 3.233 10 30 CGEERN N#Cc1ccccc1-c1cncc(Br)c1 ZINC000222083512 346299201 /nfs/dbraw/zinc/29/92/01/346299201.db2.gz WBVBALOLTSANKJ-UHFFFAOYSA-N 0 0 259.106 3.383 10 30 CGEERN C[C@@H]1C[C@@H]1Nc1ccc(C#N)c(Br)c1 ZINC000228185536 346313902 /nfs/dbraw/zinc/31/39/02/346313902.db2.gz FAFCYKRZEYBWTJ-HQJQHLMTSA-N 0 0 251.127 3.141 10 30 CGEERN C=CC[C@H](O)c1ccc(F)c(F)c1Br ZINC000231867911 346323871 /nfs/dbraw/zinc/32/38/71/346323871.db2.gz ZZQSETVLDGYSNC-QMMMGPOBSA-N 0 0 263.081 3.337 10 30 CGEERN Cc1ccc(Br)cc1NC(=O)[C@H](C)S ZINC000235563122 346335885 /nfs/dbraw/zinc/33/58/85/346335885.db2.gz WYVPWIXMTSOYRI-ZETCQYMHSA-N 0 0 274.183 3.014 10 30 CGEERN C=CC(=O)c1cc(Cl)ccc1I ZINC000236048336 346339240 /nfs/dbraw/zinc/33/92/40/346339240.db2.gz JWRZGYQQDDFWFW-UHFFFAOYSA-N 0 0 292.503 3.313 10 30 CGEERN COc1cccc(C=Nc2ccc(N(C)C(C)=O)cc2)c1 ZINC000257353394 346400350 /nfs/dbraw/zinc/40/03/50/346400350.db2.gz QWTDRZPKFDICOX-UHFFFAOYSA-N 0 0 282.343 3.429 10 30 CGEERN N#Cc1cc(F)c(F)c(Br)c1Br ZINC000306588857 346455602 /nfs/dbraw/zinc/45/56/02/346455602.db2.gz WCWQTDIHVUJSPZ-UHFFFAOYSA-N 0 0 296.896 3.361 10 30 CGEERN N#Cc1cc(C(F)(F)F)cc(CO)c1C(F)(F)F ZINC000514260810 346635639 /nfs/dbraw/zinc/63/56/39/346635639.db2.gz OHXVCLOZAIKXMV-UHFFFAOYSA-N 0 0 269.144 3.088 10 30 CGEERN N#CCc1c(C(F)(F)F)ccc(O)c1C(F)(F)F ZINC000514261377 346635723 /nfs/dbraw/zinc/63/57/23/346635723.db2.gz KXRDDQKUNUDDMP-UHFFFAOYSA-N 0 0 269.144 3.496 10 30 CGEERN N#C[C@H](c1ccc(F)c(F)c1)[C@H](CCO)c1cncs1 ZINC000584639243 346702112 /nfs/dbraw/zinc/70/21/12/346702112.db2.gz HETLJHZKXQVTCW-WDEREUQCSA-N 0 0 294.326 3.195 10 30 CGEERN N#C[C@@H](c1ccc(F)c(F)c1)[C@H](CCO)c1cncs1 ZINC000584639242 346702405 /nfs/dbraw/zinc/70/24/05/346702405.db2.gz HETLJHZKXQVTCW-QWRGUYRKSA-N 0 0 294.326 3.195 10 30 CGEERN C[C@@H](C(=O)ON(C)OC(=O)[C@H](C)C(C)(C)C)C(C)(C)C ZINC000585656163 346726086 /nfs/dbraw/zinc/72/60/86/346726086.db2.gz QHQUNYPUXNSVRP-QWRGUYRKSA-N 0 0 287.400 3.199 10 30 CGEERN COc1c(C)c(C)c(OC)c([C@@H](C)CC=O)c1C ZINC000584596033 346687932 /nfs/dbraw/zinc/68/79/32/346687932.db2.gz UXGATXBKVXTMDP-VIFPVBQESA-N 0 0 250.338 3.322 10 30 CGEERN COc1cc2c(cc1OC)C1=CC(=O)CC[C@@H]1CC2 ZINC000584630497 346698666 /nfs/dbraw/zinc/69/86/66/346698666.db2.gz JDJAGTFTIFZVKK-JTQLQIEISA-N 0 0 258.317 3.013 10 30 CGEERN C=C(Br)[C@@H]1CN=C(c2ccc(Cl)cc2)O1 ZINC000584637048 346701045 /nfs/dbraw/zinc/70/10/45/346701045.db2.gz NMWKASBRVGPWHO-JTQLQIEISA-N 0 0 286.556 3.394 10 30 CGEERN CC(=O)c1ccc2c(c1)C(=O)c1ccc(C#N)cc1CC2 ZINC000584638231 346701413 /nfs/dbraw/zinc/70/14/13/346701413.db2.gz XSNXMIJMABFSRI-UHFFFAOYSA-N 0 0 275.307 3.090 10 30 CGEERN CC(C)(C)c1cccc(C(=O)N[C@@H]2CCC[C@@H]2C#N)c1 ZINC000594306792 347169405 /nfs/dbraw/zinc/16/94/05/347169405.db2.gz VLCAALICMJNBSX-UKRRQHHQSA-N 0 0 270.376 3.406 10 30 CGEERN COC(=O)N1C[C@@H](c2cccc(C#N)c2)Cc2ccccc21 ZINC000616670632 348861883 /nfs/dbraw/zinc/86/18/83/348861883.db2.gz KOOAPZLGELFDMV-INIZCTEOSA-N 0 0 292.338 3.471 10 30 CGEERN Cc1c(C#N)c(=O)oc2cc(Cl)c(Cl)cc12 ZINC000090562537 180004728 /nfs/dbraw/zinc/00/47/28/180004728.db2.gz JLICVYDQXJPVPK-UHFFFAOYSA-N 0 0 254.072 3.280 10 30 CGEERN C[C@H]1CN(c2cccc(Br)c2C#N)CCS1 ZINC000168599982 290897439 /nfs/dbraw/zinc/89/74/39/290897439.db2.gz JMGYCUZNKIRDQE-VIFPVBQESA-N 0 0 297.221 3.262 10 30 CGEERN N#Cc1ccc(NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000115171442 186660195 /nfs/dbraw/zinc/66/01/95/186660195.db2.gz YRJWWCQAIPLSHP-OAHLLOKOSA-N 0 0 295.346 3.040 10 30 CGEERN N#Cc1c(F)cccc1N[C@H]1COc2ccccc21 ZINC000110436868 283076373 /nfs/dbraw/zinc/07/63/73/283076373.db2.gz JMFIXASGNRXIPZ-AWEZNQCLSA-N 0 0 254.264 3.243 10 30 CGEERN C[C@H]1OCC[C@H]1NC(=O)N[C@H]1CC(C)(C)c2ccccc21 ZINC000330210212 291226069 /nfs/dbraw/zinc/22/60/69/291226069.db2.gz IFFCPMJVAXMETD-DFBGVHRSSA-N 0 0 288.391 3.090 10 30 CGEERN Cc1cc(Oc2ccc3ccc(=O)oc3c2)c(C#N)c(C)n1 ZINC000301680875 201133937 /nfs/dbraw/zinc/13/39/37/201133937.db2.gz RVNWWZDDJXTXJI-UHFFFAOYSA-N 0 0 292.294 3.469 10 30 CGEERN CO[C@@H]1CCC[C@H](Nc2c(F)cc(C#N)cc2F)C1 ZINC000301775255 201189426 /nfs/dbraw/zinc/18/94/26/201189426.db2.gz LAIKRYTXTWWCFZ-WDEREUQCSA-N 0 0 266.291 3.206 10 30 CGEERN CCN(C)c1cccc(Nc2cccc(C#N)n2)c1 ZINC000301810135 201210421 /nfs/dbraw/zinc/21/04/21/201210421.db2.gz BGKMPTIIERGFND-UHFFFAOYSA-N 0 0 252.321 3.153 10 30 CGEERN CCN(Cc1cccc(C)c1)c1cccc(C#N)n1 ZINC000301847174 201230299 /nfs/dbraw/zinc/23/02/99/201230299.db2.gz NEADDGGCFSPVGF-UHFFFAOYSA-N 0 0 251.333 3.288 10 30 CGEERN C=CCC(CC=C)C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000121534568 370869840 /nfs/dbraw/zinc/86/98/40/370869840.db2.gz UBDLJEFYDCBRLR-QGZVFWFLSA-N 0 0 286.419 3.174 10 30 CGEERN COc1cc(/C=C/C(=O)c2nc3ccccc3[nH]2)ccc1O ZINC000026462401 368859892 /nfs/dbraw/zinc/85/98/92/368859892.db2.gz PJMQJMAPCQJAGK-VQHVLOKHSA-N 0 0 294.310 3.173 10 30 CGEERN COC(C)(C)C[C@@H](C)Nc1ccc(OCC#N)cc1 ZINC000034963692 368984132 /nfs/dbraw/zinc/98/41/32/368984132.db2.gz NIGWYPITVJKSSM-GFCCVEGCSA-N 0 0 262.353 3.204 10 30 CGEERN C[Si](C)(C)C#Cc1ncccc1Br ZINC000170030409 291455685 /nfs/dbraw/zinc/45/56/85/291455685.db2.gz RTCUFWFLWAXHGH-UHFFFAOYSA-N 0 0 254.203 3.073 10 30 CGEERN C=C(C)CN(CC)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000127313678 370951084 /nfs/dbraw/zinc/95/10/84/370951084.db2.gz OWPXWHKHCLBQNT-UHFFFAOYSA-N 0 0 276.424 3.419 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1cccc2ccccc21 ZINC000061888864 369609558 /nfs/dbraw/zinc/60/95/58/369609558.db2.gz PRHCJOOQAWATFJ-CJNGLKHVSA-N 0 0 264.328 3.262 10 30 CGEERN CNC(=O)c1cc(Cl)ccc1NCc1ccccc1C#N ZINC000079159791 369966172 /nfs/dbraw/zinc/96/61/72/369966172.db2.gz NLHUARORTLVYFJ-UHFFFAOYSA-N 0 0 299.761 3.183 10 30 CGEERN COc1ccc(Oc2nc(Cl)ccc2C#N)cc1 ZINC000084742501 370015453 /nfs/dbraw/zinc/01/54/53/370015453.db2.gz QQTRNJAURWQPOQ-UHFFFAOYSA-N 0 0 260.680 3.408 10 30 CGEERN C=C(Cc1ccc(Br)cc1)C(=O)OCC ZINC000085221475 370016088 /nfs/dbraw/zinc/01/60/88/370016088.db2.gz SIJOZPIKQOUCSZ-UHFFFAOYSA-N 0 0 269.138 3.111 10 30 CGEERN O=C(OCc1ccccc1)N1CCC(CCS)CC1 ZINC000095079024 370170662 /nfs/dbraw/zinc/17/06/62/370170662.db2.gz WLKOLWKUPMUAPL-UHFFFAOYSA-N 0 0 279.405 3.355 10 30 CGEERN O=[N+]([O-])c1cc(/C=N\c2cccc(CO)c2)ccc1Cl ZINC000100480704 370279777 /nfs/dbraw/zinc/27/97/77/370279777.db2.gz WFBJLVKPALHDEM-PXNMLYILSA-N 0 0 290.706 3.491 10 30 CGEERN COc1ccc(CN[C@H]2CCC[C@@H]2C#N)c(Cl)c1OC ZINC000110823281 370388675 /nfs/dbraw/zinc/38/86/75/370388675.db2.gz ZSBJIACNFHMPOS-PWSUYJOCSA-N 0 0 294.782 3.139 10 30 CGEERN N#Cc1cccc(C(=O)N2CCC[C@H]2c2ccco2)c1 ZINC000116048094 370546002 /nfs/dbraw/zinc/54/60/02/370546002.db2.gz PROYDQUYIPSVJY-AWEZNQCLSA-N 0 0 266.300 3.129 10 30 CGEERN CC[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(C#N)n2)C1 ZINC000234071093 189821100 /nfs/dbraw/zinc/82/11/00/189821100.db2.gz RURDXVRMWXEBBR-WDEREUQCSA-N 0 0 274.324 3.242 10 30 CGEERN Cc1cccc(OCCNc2cc(C)nc(C)c2C#N)c1 ZINC000133752192 371277414 /nfs/dbraw/zinc/27/74/14/371277414.db2.gz UCJMJSQAJRMQBJ-UHFFFAOYSA-N 0 0 281.359 3.369 10 30 CGEERN COCc1cccc(Nc2cc(C)nc(C)c2C#N)c1 ZINC000133754364 371277657 /nfs/dbraw/zinc/27/76/57/371277657.db2.gz AGBCBZGWYUDHGU-UHFFFAOYSA-N 0 0 267.332 3.460 10 30 CGEERN C[C@H]1CC[C@@H](NC(=O)c2ccc(C#N)cn2)c2ccccc21 ZINC000162739183 372415455 /nfs/dbraw/zinc/41/54/55/372415455.db2.gz RYVZCIVBCNBBEO-BLLLJJGKSA-N 0 0 291.354 3.322 10 30 CGEERN C=CCOCCCC(=O)N[C@H]1CCCc2ccccc21 ZINC000173047041 373082285 /nfs/dbraw/zinc/08/22/85/373082285.db2.gz RFHPGSIGVJAHIQ-INIZCTEOSA-N 0 0 273.376 3.163 10 30 CGEERN Cc1csc(CN(C)c2snc(Cl)c2C#N)n1 ZINC000301266751 373719381 /nfs/dbraw/zinc/71/93/81/373719381.db2.gz FSXQFIUUHQCXHP-UHFFFAOYSA-N 0 0 284.797 3.070 10 30 CGEERN Cc1cnn(CCCNc2ccc(C#N)c(Cl)c2)c1 ZINC000301228285 373698936 /nfs/dbraw/zinc/69/89/36/373698936.db2.gz GEQFANKXKYKWRQ-UHFFFAOYSA-N 0 0 274.755 3.219 10 30 CGEERN N#Cc1ccc(N2CCC(Nc3ccccc3F)CC2)nc1 ZINC000301409325 373773931 /nfs/dbraw/zinc/77/39/31/373773931.db2.gz JBPDWMJGOIMOOO-UHFFFAOYSA-N 0 0 296.349 3.173 10 30 CGEERN N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc2c(c1)CCC2=O ZINC000302540046 373891115 /nfs/dbraw/zinc/89/11/15/373891115.db2.gz NLTTXAFAZGNEHP-UHFFFAOYSA-N 0 0 294.266 3.388 10 30 CGEERN Cc1ccccc1CSc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000302762382 373954630 /nfs/dbraw/zinc/95/46/30/373954630.db2.gz YNBVIUYVVIDVCM-UHFFFAOYSA-N 0 0 285.328 3.462 10 30 CGEERN C=CCC[C@H](NCc1nnnn1C(C)C)c1ccccc1 ZINC000180050244 373958747 /nfs/dbraw/zinc/95/87/47/373958747.db2.gz WSWNWCRLTSRFOA-HNNXBMFYSA-N 0 0 285.395 3.051 10 30 CGEERN CC(C)[C@H]1OCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1c1ccco1 ZINC000328615452 374370725 /nfs/dbraw/zinc/37/07/25/374370725.db2.gz YLPIRFVBNGTZNV-QVHKTLOISA-N 0 0 277.364 3.401 10 30 CGEERN CC(C)[C@@H]1C[C@H](NC(=O)C[C@@H]2CCCCC(=O)N2)CCO1 ZINC000328670234 374376071 /nfs/dbraw/zinc/37/60/71/374376071.db2.gz MNSCUSAFUWQARH-MJBXVCDLSA-N 0 0 296.411 3.436 10 30 CGEERN C[C@@H]1CCCCN(C(=O)N[C@H]2CCC(=O)NC23CCC3)C1 ZINC000328703428 374377756 /nfs/dbraw/zinc/37/77/56/374377756.db2.gz OFBIDCKGLRPOMD-OLZOCXBDSA-N 0 0 293.411 3.064 10 30 CGEERN CC1(C)CCN(C(=O)N[C@@H]2CCC(=O)NC23CCC3)CC1 ZINC000328710245 374377812 /nfs/dbraw/zinc/37/78/12/374377812.db2.gz QZVFGHUVLCDHFN-GFCCVEGCSA-N 0 0 293.411 3.064 10 30 CGEERN C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCC(=O)NC23CCC3)C1 ZINC000328743490 374379347 /nfs/dbraw/zinc/37/93/47/374379347.db2.gz NLHUKJJJVZNLMK-GRYCIOLGSA-N 0 0 264.369 3.421 10 30 CGEERN C[C@H]1CCCC[C@@H]1Nc1cnn(-c2ncccc2C#N)c1 ZINC000186015423 374785542 /nfs/dbraw/zinc/78/55/42/374785542.db2.gz JXARFVQAANSHBS-WFASDCNBSA-N 0 0 281.363 3.130 10 30 CGEERN CN1Cc2cc(NCc3ccc(C#N)s3)ccc2NC1=O ZINC000187477270 375028109 /nfs/dbraw/zinc/02/81/09/375028109.db2.gz OYODKJWFNKOKGP-UHFFFAOYSA-N 0 0 298.371 3.209 10 30 CGEERN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccccc2C#N)o1 ZINC000193641582 375901131 /nfs/dbraw/zinc/90/11/31/375901131.db2.gz VBSRGXFVVLLUFD-OLZOCXBDSA-N 0 0 297.358 3.138 10 30 CGEERN C=CCCO[C@H](C)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000195711617 376117708 /nfs/dbraw/zinc/11/77/08/376117708.db2.gz QUDXEELZMQNBNW-UTUOFQBUSA-N 0 0 293.329 3.205 10 30 CGEERN CCO/C=C/C(=O)c1ccc(Br)cc1F ZINC000131952461 542073848 /nfs/dbraw/zinc/07/38/48/542073848.db2.gz LQXRRCGPFOKBFW-AATRIKPKSA-N 0 0 273.101 3.321 10 30 CGEERN COC(=O)C[C@H]1CCC(=O)C=C1c1ccc(Cl)cc1 ZINC000196226985 376119401 /nfs/dbraw/zinc/11/94/01/376119401.db2.gz WLSCAXVFPAYLJW-LLVKDONJSA-N 0 0 278.735 3.266 10 30 CGEERN C[C@H](C#N)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000248456076 377323647 /nfs/dbraw/zinc/32/36/47/377323647.db2.gz LIPPZMDWTMILTI-UKRRQHHQSA-N 0 0 280.375 3.168 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000250830305 377567669 /nfs/dbraw/zinc/56/76/69/377567669.db2.gz IVHKPEPVWIVHNG-SUJAAXHWSA-N 0 0 274.408 3.401 10 30 CGEERN CCCCCCCC(=O)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000252009528 377610159 /nfs/dbraw/zinc/61/01/59/377610159.db2.gz XLZWRKAHZWEUIO-BFHYXJOUSA-N 0 0 253.386 3.031 10 30 CGEERN Fc1ccc(CON=C2CCCc3nonc32)c(Cl)c1 ZINC000254745241 377712996 /nfs/dbraw/zinc/71/29/96/377712996.db2.gz CZQHHTJMHNJVEW-UHFFFAOYSA-N 0 0 295.701 3.119 10 30 CGEERN NC(=O)c1cccc(N=Cc2c[nH]c3ccccc23)c1 ZINC000254495242 377708947 /nfs/dbraw/zinc/70/89/47/377708947.db2.gz LIXYXRXWCQKTHI-UHFFFAOYSA-N 0 0 263.300 3.017 10 30 CGEERN CCOC(=O)c1c(F)c(C#N)ccc1SC(F)(F)F ZINC000575390589 377898062 /nfs/dbraw/zinc/89/80/62/377898062.db2.gz BMDHPUNLSOEXHB-UHFFFAOYSA-N 0 0 293.241 3.486 10 30 CGEERN N#Cc1cc(C(F)(F)F)c(CO)c(C(F)(F)F)c1 ZINC000575341108 377882133 /nfs/dbraw/zinc/88/21/33/377882133.db2.gz KXCQLVUTOFSYRY-UHFFFAOYSA-N 0 0 269.144 3.088 10 30 CGEERN COC(=O)c1cc(C(F)F)cc(OC(F)(F)F)c1C#N ZINC000575344115 377883490 /nfs/dbraw/zinc/88/34/90/377883490.db2.gz OJGRPVQAYSGXRU-UHFFFAOYSA-N 0 0 295.163 3.181 10 30 CGEERN COC(=O)Cc1cc(C(F)F)cc(C(F)(F)F)c1C#N ZINC000575386999 377894656 /nfs/dbraw/zinc/89/46/56/377894656.db2.gz BJHCZBVPRADJGB-UHFFFAOYSA-N 0 0 293.191 3.230 10 30 CGEERN CCOC(=O)c1c(OC(F)(F)F)ccc(C#N)c1CC ZINC000575389084 377896269 /nfs/dbraw/zinc/89/62/69/377896269.db2.gz WNHYGFSWKROWDP-UHFFFAOYSA-N 0 0 287.237 3.196 10 30 CGEERN N#CCc1cc(OC(F)F)cc(Br)c1F ZINC000575680349 377955078 /nfs/dbraw/zinc/95/50/78/377955078.db2.gz OBQMXAHUNHRVAO-UHFFFAOYSA-N 0 0 280.043 3.256 10 30 CGEERN CCOc1cc(CC#N)c(C#N)cc1C(F)(F)F ZINC000575643272 377926566 /nfs/dbraw/zinc/92/65/66/377926566.db2.gz NNLGBBRYCFENDP-UHFFFAOYSA-N 0 0 254.211 3.042 10 30 CGEERN N#Cc1cc(F)c(C(F)(F)F)c(OC(F)F)c1 ZINC000575660458 377936012 /nfs/dbraw/zinc/93/60/12/377936012.db2.gz PZRWIZZUCCIFCP-UHFFFAOYSA-N 0 0 255.117 3.318 10 30 CGEERN Cc1cc(C#N)c(Br)c(OC(F)F)c1 ZINC000575683121 377956791 /nfs/dbraw/zinc/95/67/91/377956791.db2.gz KGXFJOBXINUCKC-UHFFFAOYSA-N 0 0 262.053 3.231 10 30 CGEERN Fc1ccc(OC(F)(F)F)c(F)c1OC(F)F ZINC000575396769 377903375 /nfs/dbraw/zinc/90/33/75/377903375.db2.gz BZFHGRQTROPQJS-UHFFFAOYSA-N 0 0 264.096 3.465 10 30 CGEERN Nc1cc(OC(F)(F)F)cc(F)c1C(F)(F)F ZINC000575397316 377903514 /nfs/dbraw/zinc/90/35/14/377903514.db2.gz FLUFRMDPUUQGRZ-UHFFFAOYSA-N 0 0 263.112 3.325 10 30 CGEERN COc1ccc(COc2cc(F)c(F)cc2C#N)cc1 ZINC000575447853 377913300 /nfs/dbraw/zinc/91/33/00/377913300.db2.gz PVAIFICCRHGKEW-UHFFFAOYSA-N 0 0 275.254 3.424 10 30 CGEERN C[C@@H]1CC[C@@H](C)[C@](C#N)(NC(=O)OC(C)(C)C)C1 ZINC000575496629 377914874 /nfs/dbraw/zinc/91/48/74/377914874.db2.gz NFRRFLVCZSYNNI-GYSYKLTISA-N 0 0 252.358 3.230 10 30 CGEERN N#CCc1c([N+](=O)[O-])ccc(Br)c1C(F)F ZINC000575686710 377961855 /nfs/dbraw/zinc/96/18/55/377961855.db2.gz RGBFTOSCLMWJAL-UHFFFAOYSA-N 0 0 291.051 3.361 10 30 CGEERN CCc1cc(OC(F)(F)F)c(CC#N)cc1[N+](=O)[O-] ZINC000575705504 377977842 /nfs/dbraw/zinc/97/78/42/377977842.db2.gz HWKFARCJNZGHRG-UHFFFAOYSA-N 0 0 274.198 3.122 10 30 CGEERN CCc1c(CC#N)cc(OC(F)(F)F)cc1[N+](=O)[O-] ZINC000575704900 377978233 /nfs/dbraw/zinc/97/82/33/377978233.db2.gz CLFNYWRWHRPLTD-UHFFFAOYSA-N 0 0 274.198 3.122 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)C(C1CCC1)C1CCC1 ZINC000332687230 542450908 /nfs/dbraw/zinc/45/09/08/542450908.db2.gz OJNXJSHUIPGPAO-ZIAGYGMSSA-N 0 0 260.381 3.011 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)c1cccc(C2CCC2)c1 ZINC000332734412 542451044 /nfs/dbraw/zinc/45/10/44/542451044.db2.gz QWIBOTIBRRITOU-HZPDHXFCSA-N 0 0 268.360 3.376 10 30 CGEERN CCc1ccc(/N=C2\c3ccccc3N(C)C2=O)cc1 ZINC000001029649 169686781 /nfs/dbraw/zinc/68/67/81/169686781.db2.gz PMLSFDVJJPWXLH-FBMGVBCBSA-N 0 0 264.328 3.346 10 30 CGEERN N#Cc1cc(NC2CCC(O)CC2)ccc1C(F)(F)F ZINC000097145292 392260816 /nfs/dbraw/zinc/26/08/16/392260816.db2.gz NAXRCYURQMBASD-UHFFFAOYSA-N 0 0 284.281 3.292 10 30 CGEERN CCCCCCCC(=O)N[C@@H]1CCCn2nc(CC)nc21 ZINC000151204429 392483295 /nfs/dbraw/zinc/48/32/95/392483295.db2.gz JZOLTKSBPAFUJO-CYBMUJFWSA-N 0 0 292.427 3.152 10 30 CGEERN C=CCC[C@H](NC(=O)N[C@H]1C[C@@H]1C)c1ccccc1 ZINC000158010533 392553405 /nfs/dbraw/zinc/55/34/05/392553405.db2.gz IPVBLQGEGLFZAC-QEJZJMRPSA-N 0 0 258.365 3.402 10 30 CGEERN C[C@H](CC(=O)N[C@H]1CCC[C@@H]1C#N)C1CCCCC1 ZINC000408327551 392972190 /nfs/dbraw/zinc/97/21/90/392972190.db2.gz BYCZVKPNADDMCZ-YUELXQCFSA-N 0 0 262.397 3.401 10 30 CGEERN O=C1C=C(Nc2ccnc(C(F)(F)F)c2)CCC1 ZINC000218690558 392998453 /nfs/dbraw/zinc/99/84/53/392998453.db2.gz RNVQUQBLGQRUHH-UHFFFAOYSA-N 0 0 256.227 3.149 10 30 CGEERN N#Cc1ccccc1COc1ccc(N)cc1Cl ZINC000019516501 397604569 /nfs/dbraw/zinc/60/45/69/397604569.db2.gz FWWADJCIBJWOKM-UHFFFAOYSA-N 0 0 258.708 3.373 10 30 CGEERN Cc1sc([C@H]2CC[C@H](C=O)O2)cc1Br ZINC000307522002 397680990 /nfs/dbraw/zinc/68/09/90/397680990.db2.gz BHADQUQHONGMPK-VXNVDRBHSA-N 0 0 275.167 3.238 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NCc1cccc(Br)c1F ZINC000394748633 397696045 /nfs/dbraw/zinc/69/60/45/397696045.db2.gz ZLEDPRFNOBWQLA-JOYOIKCWSA-N 0 0 297.171 3.370 10 30 CGEERN O/N=C\c1cccn1-c1ccc(Br)cc1 ZINC000004706716 170002370 /nfs/dbraw/zinc/00/23/70/170002370.db2.gz JPXZGYVDOGUZBO-JYRVWZFOSA-N 0 0 265.110 3.048 10 30 CGEERN Nc1n[nH]c(N=Cc2ccc(-c3cccc(Cl)c3)o2)n1 ZINC000006321573 170191639 /nfs/dbraw/zinc/19/16/39/170191639.db2.gz QNCBANUMUONSAC-FRKPEAEDSA-N 0 0 287.710 3.051 10 30 CGEERN CCOc1ccc(/C=C/C(=O)c2ccn(CC)n2)cc1 ZINC000006637288 170220862 /nfs/dbraw/zinc/22/08/62/170220862.db2.gz SLGWCTAMGBSEJV-JXMROGBWSA-N 0 0 270.332 3.198 10 30 CGEERN Oc1cccc(C=NN=c2[nH]c3ccccc3s2)c1O ZINC000006672858 170225130 /nfs/dbraw/zinc/22/51/30/170225130.db2.gz BZLOCLGAHBXJSK-OVCLIPMQSA-N 0 0 285.328 3.154 10 30 CGEERN Cc1ccc(NC(=S)N/N=C/c2ccsc2)cc1 ZINC000007010829 170262195 /nfs/dbraw/zinc/26/21/95/170262195.db2.gz KPPNNFCUSOKBFH-RIYZIHGNSA-N 0 0 275.402 3.377 10 30 CGEERN Cc1nc(C#Cc2cncc(Br)c2)cs1 ZINC000013680949 170576955 /nfs/dbraw/zinc/57/69/55/170576955.db2.gz SLLMZMSYBFFSLX-UHFFFAOYSA-N 0 0 279.162 3.009 10 30 in-vivo CGEERN Cc1cc(Oc2ncccc2/C(N)=N/O)ccc1C(C)C ZINC000019808294 170877309 /nfs/dbraw/zinc/87/73/09/170877309.db2.gz WLWHRCREVYFCGH-UHFFFAOYSA-N 0 0 285.347 3.400 10 30 CGEERN C/C(=N\O)c1cccc(OCc2ccc(C#N)cc2)c1 ZINC000019809365 170878201 /nfs/dbraw/zinc/87/82/01/170878201.db2.gz BENJACBWGZCSRC-LDADJPATSA-N 0 0 266.300 3.335 10 30 CGEERN N#Cc1cccc(N2C(=S)N=NC2c2cccs2)c1 ZINC000020591237 171261204 /nfs/dbraw/zinc/26/12/04/171261204.db2.gz LLGVZIWXCFBEQN-UHFFFAOYSA-N 0 0 284.369 3.156 10 30 CGEERN CC(C)(C)c1nnc(SCC#N)n1-c1ccccc1 ZINC000020838569 171275678 /nfs/dbraw/zinc/27/56/78/171275678.db2.gz BUJSZMGUETYDJG-UHFFFAOYSA-N 0 0 272.377 3.180 10 30 CGEERN N#CCOc1ccc(/C=C\C(=O)c2ccccc2)cc1 ZINC000033378825 171787832 /nfs/dbraw/zinc/78/78/32/171787832.db2.gz QDZAWQPZJXTHIX-FLIBITNWSA-N 0 0 263.296 3.485 10 30 CGEERN N#Cc1cccc([C@H](C#N)Nc2cccc(F)c2)c1 ZINC000037936988 173877511 /nfs/dbraw/zinc/87/75/11/173877511.db2.gz BGPNCODHGXOPIP-HNNXBMFYSA-N 0 0 251.264 3.374 10 30 CGEERN N#C[C@H](NC[C@H]1CCCO1)c1ccc(Cl)cc1Cl ZINC000037940127 173879510 /nfs/dbraw/zinc/87/95/10/173879510.db2.gz QUHNVDPSUPHPIH-MFKMUULPSA-N 0 0 285.174 3.327 10 30 CGEERN N#Cc1cccnc1Oc1ccc([N+](=O)[O-])cc1Cl ZINC000037976823 173932746 /nfs/dbraw/zinc/93/27/46/173932746.db2.gz HWNQOFKNZXZBHW-UHFFFAOYSA-N 0 0 275.651 3.307 10 30 CGEERN N#C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC000040215127 174204384 /nfs/dbraw/zinc/20/43/84/174204384.db2.gz ZDVDTRKJQKOHEW-AWEZNQCLSA-N 0 0 270.719 3.335 10 30 CGEERN Cc1ccc(NC(=O)[C@@H](C#N)Cc2ccccc2)cc1 ZINC000044811726 175257858 /nfs/dbraw/zinc/25/78/58/175257858.db2.gz ZGLNMVMSHWMIDM-OAHLLOKOSA-N 0 0 264.328 3.316 10 30 CGEERN COc1cc(Br)cc2cc(C#N)oc21 ZINC000071294688 176112106 /nfs/dbraw/zinc/11/21/06/176112106.db2.gz HCQPUZLFEMYZLV-UHFFFAOYSA-N 0 0 252.067 3.076 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1cc(F)c(F)cc1Cl ZINC000335295881 226237297 /nfs/dbraw/zinc/23/72/97/226237297.db2.gz ADGZOVPZNMCUIL-MADCSZMMSA-N 0 0 284.693 3.040 10 30 CGEERN SCc1cc(-c2ccc(Br)o2)on1 ZINC000725252573 544112756 /nfs/dbraw/zinc/11/27/56/544112756.db2.gz MBLLUBRRGVGITR-UHFFFAOYSA-N 0 0 260.112 3.127 10 30 CGEERN O=C(NC[C@@H]1CCCS1)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000330062989 228030450 /nfs/dbraw/zinc/03/04/50/228030450.db2.gz PQEBQUOBZSRJLZ-MELADBBJSA-N 0 0 292.404 3.011 10 30 CGEERN C[C@@H](CC#N)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000040219111 260138740 /nfs/dbraw/zinc/13/87/40/260138740.db2.gz ZOYPSCMSZOSPKO-LBPRGKRZSA-N 0 0 297.324 3.130 10 30 CGEERN C=C(C)[C@H](NC(=O)[C@H]1CC[C@@H](C)O1)c1ccc(F)c(F)c1 ZINC000249368531 261249917 /nfs/dbraw/zinc/24/99/17/261249917.db2.gz VUFRZHWLIXNCAI-KMUNFCNLSA-N 0 0 295.329 3.266 10 30 CGEERN CCC(CC)CN(CCC#N)C(=O)c1ccc(COC)o1 ZINC000104544426 261296454 /nfs/dbraw/zinc/29/64/54/261296454.db2.gz TVNJDTZQPJAWDE-UHFFFAOYSA-N 0 0 292.379 3.218 10 30 CGEERN Cc1cccc(C(=O)N[C@@H]2CCC[C@@H]2C#N)c1Cl ZINC000162884822 262380758 /nfs/dbraw/zinc/38/07/58/262380758.db2.gz ZNUTWGYBAYLILC-ZYHUDNBSSA-N 0 0 262.740 3.071 10 30 CGEERN C[C@H](NC(=O)C[C@@H]1CCCCC(=O)N1)[C@@H]1CCCOC1 ZINC000328680463 263841473 /nfs/dbraw/zinc/84/14/73/263841473.db2.gz UPBOLROPJHELAJ-XQQFMLRXSA-N 0 0 282.384 3.047 10 30 CGEERN N#Cc1ccc(/N=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000100031319 274921891 /nfs/dbraw/zinc/92/18/91/274921891.db2.gz OFKZDYVSBMFQHG-MHWRWJLKSA-N 0 0 251.245 3.217 10 30 CGEERN COc1ccc2nc(SC)c(C#N)c(Cl)c2c1 ZINC000032500878 278004850 /nfs/dbraw/zinc/00/48/50/278004850.db2.gz FLBRQYMFXUYFPL-UHFFFAOYSA-N 0 0 264.737 3.490 10 30 CGEERN Cc1nc2cc(NC(=O)N3C[C@H]4CCC[C@H]43)ccc2o1 ZINC000330099531 279121893 /nfs/dbraw/zinc/12/18/93/279121893.db2.gz DDWVQKGLDZSFCW-ZWNOBZJWSA-N 0 0 271.320 3.166 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccc2c(c1)CCC=C2 ZINC000329191428 279483278 /nfs/dbraw/zinc/48/32/78/279483278.db2.gz RLZLFBZLHRMOEH-HOTGVXAUSA-N 0 0 266.344 3.068 10 30 CGEERN C[C@H]1C[C@@H](C(=O)Nc2ccn(CCC#N)n2)CC(C)(C)C1 ZINC000180634236 327806817 /nfs/dbraw/zinc/80/68/17/327806817.db2.gz LWVUHGFQJIDJPL-QWHCGFSZSA-N 0 0 288.395 3.198 10 30 CGEERN CCCCCCCCC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000171579630 329077782 /nfs/dbraw/zinc/07/77/82/329077782.db2.gz UNSSSZJYNYHXRC-OAHLLOKOSA-N 0 0 292.427 3.192 10 30 CGEERN CC(C)CCO[C@H]1CCN(C(=O)C2(C#N)CCCCC2)C1 ZINC000175182002 329165826 /nfs/dbraw/zinc/16/58/26/329165826.db2.gz NBWBZYPEFSQPBQ-HNNXBMFYSA-N 0 0 292.423 3.124 10 30 CGEERN C=CCCO[C@H](C)C(=O)N[C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000182188774 329240502 /nfs/dbraw/zinc/24/05/02/329240502.db2.gz NWQVVRSYTNAFEO-VBQJREDUSA-N 0 0 287.403 3.326 10 30 CGEERN C[C@H](C#N)N1CCc2cc(-c3ccccc3)oc2C1 ZINC000182195932 329240512 /nfs/dbraw/zinc/24/05/12/329240512.db2.gz CBVYGZGLMJELBX-GFCCVEGCSA-N 0 0 252.317 3.217 10 30 CGEERN CC(C)(C)c1ncc(CN[C@@H]2CCC[C@H]2C#N)s1 ZINC000062839091 329353143 /nfs/dbraw/zinc/35/31/43/329353143.db2.gz KKUUVBNJJSBEJR-CMPLNLGQSA-N 0 0 263.410 3.222 10 30 CGEERN Cc1cc(C(=O)N[C@@H]2CCC[C@H]2C#N)ccc1Cl ZINC000135026109 329663023 /nfs/dbraw/zinc/66/30/23/329663023.db2.gz CDBWYUVKHDPEBF-WCQYABFASA-N 0 0 262.740 3.071 10 30 CGEERN C=CCCC(=O)N[C@@H](C(=O)OCC)c1ccc(Cl)cc1 ZINC000193871944 333260041 /nfs/dbraw/zinc/26/00/41/333260041.db2.gz UFCBDSOJSAJRJM-CQSZACIVSA-N 0 0 295.766 3.027 10 30 CGEERN C=CCC[C@H](NC(=O)[C@H]1CC[C@H](C)O1)c1ccccc1 ZINC000134011785 334077429 /nfs/dbraw/zinc/07/74/29/334077429.db2.gz JDDINPCCYABMJV-CWRNSKLLSA-N 0 0 273.376 3.378 10 30 CGEERN CC[C@H](CC#N)NC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000248396649 334300113 /nfs/dbraw/zinc/30/01/13/334300113.db2.gz KKYJITUPWCBQGN-JHJVBQTASA-N 0 0 250.386 3.257 10 30 CGEERN N#Cc1cc(C(=O)N[C@H]2CCc3cc(Cl)ccc32)ccn1 ZINC000192884318 335320466 /nfs/dbraw/zinc/32/04/66/335320466.db2.gz AVYHFYMLYMOSQU-HNNXBMFYSA-N 0 0 297.745 3.024 10 30 CGEERN CCCNc1c(C#N)cnc2ccc(OCC)cc21 ZINC000050842180 520127795 /nfs/dbraw/zinc/12/77/95/520127795.db2.gz LHNOXQGHVKMASM-UHFFFAOYSA-N 0 0 255.321 3.327 10 30 CGEERN CCNc1c(C#N)cnc2c(Cl)ccc(OC)c21 ZINC000050842979 520254189 /nfs/dbraw/zinc/25/41/89/520254189.db2.gz XBDNIXYCSODVBF-UHFFFAOYSA-N 0 0 261.712 3.200 10 30 CGEERN CCN(CC[C@@H](C#N)NC(C)C)c1ccc(C)cc1 ZINC000062438430 521155645 /nfs/dbraw/zinc/15/56/45/521155645.db2.gz GYPMAXMVDUDGJP-HNNXBMFYSA-N 0 0 259.397 3.102 10 30 CGEERN CNc1nc(-c2cccc(Br)c2)ccc1C#N ZINC000050871405 522677257 /nfs/dbraw/zinc/67/72/57/522677257.db2.gz RETVRBYFFNLSGN-UHFFFAOYSA-N 0 0 288.148 3.424 10 30 CGEERN CN(Cc1ccc(Cl)cc1N)c1cccc(C#N)c1 ZINC000061950049 523229863 /nfs/dbraw/zinc/22/98/63/523229863.db2.gz FAIFYOHUTZKEMU-UHFFFAOYSA-N 0 0 271.751 3.430 10 30 CGEERN COc1ccc(-c2sc(C#N)c(N)c2C)cc1F ZINC000061669679 523306714 /nfs/dbraw/zinc/30/67/14/523306714.db2.gz MMPGJFUIICQAFH-UHFFFAOYSA-N 0 0 262.309 3.325 10 30 CGEERN Cc1ccc(C)c(OCC[C@H](C#N)NC2CC2)c1C ZINC000062447429 524180059 /nfs/dbraw/zinc/18/00/59/524180059.db2.gz FYMDPOMWQXSNOU-OAHLLOKOSA-N 0 0 258.365 3.025 10 30 CGEERN Cc1cc(F)ccc1[C@@H](C#N)NCc1ccccc1 ZINC000050579503 525002858 /nfs/dbraw/zinc/00/28/58/525002858.db2.gz OTTGSAHIWLHATC-MRXNPFEDSA-N 0 0 254.308 3.489 10 30 CGEERN Cc1cc(=O)[nH]c(S[C@H](CC#N)c2ccccc2)n1 ZINC000055022492 525343566 /nfs/dbraw/zinc/34/35/66/525343566.db2.gz LROSVOMTIVNBBZ-GFCCVEGCSA-N 0 0 271.345 3.238 10 30 CGEERN Cc1c(C)n([C@H](C)Cc2ccsc2)c(N)c1C#N ZINC000049185776 525688413 /nfs/dbraw/zinc/68/84/13/525688413.db2.gz XMFARNMTMHDLBV-SECBINFHSA-N 0 0 259.378 3.424 10 30 CGEERN Cc1ccc(C#N)cc1-n1ccc2c1CCC[C@@H]2O ZINC000050436726 525995028 /nfs/dbraw/zinc/99/50/28/525995028.db2.gz MUVKMKVDSBODMC-INIZCTEOSA-N 0 0 252.317 3.027 10 30 CGEERN Cc1csc(Sc2cc(C)nc(C)c2C#N)n1 ZINC000156539051 526399760 /nfs/dbraw/zinc/39/97/60/526399760.db2.gz ALUXSJPKZAKTED-UHFFFAOYSA-N 0 0 261.375 3.486 10 30 CGEERN N#CCc1ccc(OCc2cccnc2Cl)cc1 ZINC000052722529 526486376 /nfs/dbraw/zinc/48/63/76/526486376.db2.gz PDSYXNLDWDKWBN-UHFFFAOYSA-N 0 0 258.708 3.380 10 30 CGEERN N#Cc1ccc(OCCc2ccccc2)c([N+](=O)[O-])c1 ZINC000049373765 526675638 /nfs/dbraw/zinc/67/56/38/526675638.db2.gz SXJBLMZFHIMDDN-UHFFFAOYSA-N 0 0 268.272 3.088 10 30 CGEERN CCOc1cccc(/C=N\C[C@@H](O)c2ccc(C)cc2)c1O ZINC000255050702 617799224 /nfs/dbraw/zinc/79/92/24/617799224.db2.gz JQGFOQNKTSWUAN-VXIUPONVSA-N 0 0 299.370 3.252 10 30 CGEERN N#Cc1ccc(OCCSC[C@@H](O)c2ccccc2)cc1 ZINC000247723559 618450789 /nfs/dbraw/zinc/45/07/89/618450789.db2.gz CEGDEJJDCCFWGQ-QGZVFWFLSA-N 0 0 299.395 3.404 10 30 CGEERN C#CCC(C)(C)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000184964891 625284013 /nfs/dbraw/zinc/28/40/13/625284013.db2.gz LCDKXZNZUVCWDV-GHMZBOCLSA-N 0 0 275.314 3.273 10 30 CGEERN Cc1nn(C)c(C)c1/C=C\C(=O)c1ccc(C)cc1 ZINC000096569041 620555818 /nfs/dbraw/zinc/55/58/18/620555818.db2.gz KONVRFIDFQMXMH-KTKRTIGZSA-N 0 0 254.333 3.241 10 30 CGEERN C=C(C)COC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000171770973 623189340 /nfs/dbraw/zinc/18/93/40/623189340.db2.gz CLUPIUHEFJAYMC-WDEREUQCSA-N 0 0 252.260 3.188 10 30 CGEERN C#CCCCNC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000172943770 623298092 /nfs/dbraw/zinc/29/80/92/623298092.db2.gz PTFALCFPRVVVJB-IAGOWNOFSA-N 0 0 269.388 3.443 10 30 CGEERN Cc1cc(C(=O)N[C@H](C)C#N)c(C)n1-c1cccc(C)c1 ZINC000068926022 624770041 /nfs/dbraw/zinc/77/00/41/624770041.db2.gz CNQSWLOOZIRURC-GFCCVEGCSA-N 0 0 281.359 3.044 10 30 CGEERN Cc1cccc([C@H](CC=O)NC(=O)OC(C)(C)C)c1 ZINC000238545528 624774937 /nfs/dbraw/zinc/77/49/37/624774937.db2.gz CBXOFDJTEULIPT-ZDUSSCGKSA-N 0 0 263.337 3.150 10 30 CGEERN C=CCCC[C@@H](C)NS(=O)(=O)/C=C/c1ccccc1 ZINC000180851635 624777532 /nfs/dbraw/zinc/77/75/32/624777532.db2.gz JNDOGNHAULNTEE-XTZCOPOCSA-N 0 0 279.405 3.322 10 30 CGEERN Cc1ccncc1NCc1ccc(O[C@H](C)C#N)cc1 ZINC000119019485 629421165 /nfs/dbraw/zinc/42/11/65/629421165.db2.gz CMHPSGXCNLCIPF-CYBMUJFWSA-N 0 0 267.332 3.293 10 30 CGEERN COc1ccc(-c2ccc(C(=O)N[C@H](C)C#N)c(F)c2)cc1 ZINC000106754861 636376906 /nfs/dbraw/zinc/37/69/06/636376906.db2.gz RRFMGXZBFLBXHN-LLVKDONJSA-N 0 0 298.317 3.143 10 30 CGEERN C=CCCO[C@H](C)C(=O)O[C@H](C)c1nc2ccccc2[nH]1 ZINC000132205851 636791895 /nfs/dbraw/zinc/79/18/95/636791895.db2.gz VGIBMRNFRLGPHS-VXGBXAGGSA-N 0 0 288.347 3.148 10 30 CGEERN O=c1[nH]c2ccccc2cc1C=N[C@@H]1COc2ccccc21 ZINC000194595595 640543693 /nfs/dbraw/zinc/54/36/93/640543693.db2.gz BDYLOMDVONFYPB-MWJIIQFGSA-N 0 0 290.322 3.493 10 30 CGEERN CON=Cc1ccc(C(=O)OCCCCCSC)cc1 ZINC000588449172 799695886 /nfs/dbraw/zinc/69/58/86/799695886.db2.gz CYAUHLHUINDZGN-UHFFFAOYSA-N 0 0 295.404 3.357 10 30 CGEERN C#CC[C@H](OC(=O)/C=C\c1scnc1C)C(C)C ZINC000588522275 799705365 /nfs/dbraw/zinc/70/53/65/799705365.db2.gz YFDWZOXCOGIZBC-KRZKBDHCSA-N 0 0 263.362 3.056 10 30 CGEERN CCCCCCCC[N@@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722676536 978162010 /nfs/dbraw/zinc/16/20/10/978162010.db2.gz SKWICBLREZGOLU-ZIAGYGMSSA-N 0 0 255.402 3.390 10 30 CGEERN CCOC(=O)[C@]1(C#N)C[C@H]1c1ccc(Br)cc1 ZINC000095616835 185016259 /nfs/dbraw/zinc/01/62/59/185016259.db2.gz GITKMPNCZJGOCJ-AAEUAGOBSA-N 0 0 294.148 3.009 10 30 CGEERN C[C@H]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)c2ccccc21 ZINC000181363380 290636421 /nfs/dbraw/zinc/63/64/21/290636421.db2.gz SWOYXXJMYUZEQI-ZBEGNZNMSA-N 0 0 279.343 3.255 10 30 CGEERN CC[C@@](C)(OC)c1noc([C@]2(C#N)CC23CCCC3)n1 ZINC000333860570 529514682 /nfs/dbraw/zinc/51/46/82/529514682.db2.gz RPZCUAWSYIIFOQ-UKRRQHHQSA-N 0 0 275.352 3.067 10 30 CGEERN C[C@@](C#N)(c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000003619238 344858400 /nfs/dbraw/zinc/85/84/00/344858400.db2.gz CCZBAFVGPJASIZ-OAHLLOKOSA-N 0 0 252.273 3.424 10 30 CGEERN CC(=O)C/N=C1\N=C(Nc2ccc(C)cc2Cl)S1 ZINC000006272037 344864902 /nfs/dbraw/zinc/86/49/02/344864902.db2.gz SLCAQPGWIRRSCM-UHFFFAOYSA-N 0 0 281.768 3.108 10 30 CGEERN Cc1ccc(Br)cc1N[C@@H](C)CC#N ZINC000037871513 344953775 /nfs/dbraw/zinc/95/37/75/344953775.db2.gz GZTBZMBDWIGRBM-VIFPVBQESA-N 0 0 253.143 3.472 10 30 CGEERN N#Cc1ccc(Sc2ccccc2CO)c([N+](=O)[O-])c1 ZINC000039173892 344957838 /nfs/dbraw/zinc/95/78/38/344957838.db2.gz HCNIIJJBVPDFCC-UHFFFAOYSA-N 0 0 286.312 3.110 10 30 CGEERN CC(C)(C)OC(=O)n1cc(/C=N/O)c2ccccc21 ZINC000036431381 344944118 /nfs/dbraw/zinc/94/41/18/344944118.db2.gz NDMBDQXMLBFZOF-OVCLIPMQSA-N 0 0 260.293 3.233 10 30 CGEERN C=CCC(=O)Nc1ccc(F)cc1Br ZINC000054400216 345135409 /nfs/dbraw/zinc/13/54/09/345135409.db2.gz OYCKKQYPSUABHJ-UHFFFAOYSA-N 0 0 258.090 3.103 10 30 CGEERN CC[C@@](C)(CO)Nc1cc(C#N)c2cc(Cl)ccc2n1 ZINC000092667954 345851011 /nfs/dbraw/zinc/85/10/11/345851011.db2.gz XCVMDIUXRZYTKN-HNNXBMFYSA-N 0 0 289.766 3.333 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1cc2sccc2s1 ZINC000093655735 345883696 /nfs/dbraw/zinc/88/36/96/345883696.db2.gz AQFDIXBDGJZKMA-IUCAKERBSA-N 0 0 276.386 3.385 10 30 CGEERN C(#Cc1cnc2cc(C3CCC3)nn2c1)c1ccccc1 ZINC000117737942 345985882 /nfs/dbraw/zinc/98/58/82/345985882.db2.gz PNLWTXVZBCTGHN-UHFFFAOYSA-N 0 0 273.339 3.397 10 30 CGEERN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1C[C@@H]1C ZINC000120973723 346000148 /nfs/dbraw/zinc/00/01/48/346000148.db2.gz ZALOVCOBLDNFDA-CABZTGNLSA-N 0 0 299.292 3.408 10 30 CGEERN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1C[C@H]1C ZINC000120973561 346000233 /nfs/dbraw/zinc/00/02/33/346000233.db2.gz ZALOVCOBLDNFDA-SKDRFNHKSA-N 0 0 299.292 3.408 10 30 CGEERN CC[C@@H](C#N)C(=O)c1ccc(C)c(Br)c1 ZINC000129818924 346052505 /nfs/dbraw/zinc/05/25/05/346052505.db2.gz ZXOXLQWWYGHOKA-VIFPVBQESA-N 0 0 266.138 3.490 10 30 CGEERN CC[C@H](C#N)C(=O)c1ccc(C)c(Br)c1 ZINC000129819145 346052848 /nfs/dbraw/zinc/05/28/48/346052848.db2.gz ZXOXLQWWYGHOKA-SECBINFHSA-N 0 0 266.138 3.490 10 30 CGEERN N#C[C@]1(Br)CCC[C@@H](C(F)(F)F)C1 ZINC000127623876 346032925 /nfs/dbraw/zinc/03/29/25/346032925.db2.gz LDXMIOCDYBJSKC-RQJHMYQMSA-N 0 0 256.065 3.396 10 30 CGEERN N#Cc1c(N)cccc1Sc1ccc([N+](=O)[O-])cc1 ZINC000136579021 346091485 /nfs/dbraw/zinc/09/14/85/346091485.db2.gz KAYHULCHENLOOO-UHFFFAOYSA-N 0 0 271.301 3.200 10 30 CGEERN CO[C@H](C#N)c1ccc(Cl)c(Br)c1 ZINC000137280524 346094122 /nfs/dbraw/zinc/09/41/22/346094122.db2.gz YNODUARLAXCMDB-SECBINFHSA-N 0 0 260.518 3.314 10 30 CGEERN O=C1C=CC(Br)=CC1=C1Nc2ccccc2N1 ZINC000137279969 346094158 /nfs/dbraw/zinc/09/41/58/346094158.db2.gz JLLSATYTCUADJA-UHFFFAOYSA-N 0 0 289.132 3.153 10 30 CGEERN CCOP(=O)(C/N=C/c1ccc(F)cc1)OCC ZINC000141631249 346109448 /nfs/dbraw/zinc/10/94/48/346109448.db2.gz LYIOBHRQQRFFFW-NTEUORMPSA-N 0 0 273.244 3.468 10 30 CGEERN C=CCOC(CO)(c1ccccc1)c1ccccc1 ZINC000142018658 346110141 /nfs/dbraw/zinc/11/01/41/346110141.db2.gz LEWMYGUDGPEEHZ-UHFFFAOYSA-N 0 0 254.329 3.125 10 30 CGEERN CSC(=Nc1nc(C(C)(C)C)cs1)NC#N ZINC000149922898 346131825 /nfs/dbraw/zinc/13/18/25/346131825.db2.gz VXBBUKWVNMUODX-UHFFFAOYSA-N 0 0 254.384 3.053 10 30 CGEERN CC#CCCNc1cccc(I)c1 ZINC000157773573 346162722 /nfs/dbraw/zinc/16/27/22/346162722.db2.gz DNVIAVGYTHQQHM-UHFFFAOYSA-N 0 0 285.128 3.117 10 30 CGEERN C=C(Cl)CNc1cc(Br)ccc1N ZINC000168171994 346189596 /nfs/dbraw/zinc/18/95/96/346189596.db2.gz WGIFZKWHKUOJLP-UHFFFAOYSA-N 0 0 261.550 3.196 10 30 CGEERN C=CCc1ccccc1O[C@H](CC)C(=O)N(CC)CC ZINC000196672774 346276425 /nfs/dbraw/zinc/27/64/25/346276425.db2.gz JZEXWRUKKNHBIL-OAHLLOKOSA-N 0 0 275.392 3.441 10 30 CGEERN C=CCc1ccccc1O[C@@H](CC)C(=O)N(CC)CC ZINC000196672764 346276506 /nfs/dbraw/zinc/27/65/06/346276506.db2.gz JZEXWRUKKNHBIL-HNNXBMFYSA-N 0 0 275.392 3.441 10 30 CGEERN C[C@@H](O)c1ccncc1-c1ccc(C#N)c(Cl)c1 ZINC000198457426 346279347 /nfs/dbraw/zinc/27/93/47/346279347.db2.gz BQMWDRWIPHMCTF-SECBINFHSA-N 0 0 258.708 3.327 10 30 CGEERN CC(C)(C#N)/[N+]([O-])=C/c1ccc(Cl)cc1Cl ZINC000225396691 346303939 /nfs/dbraw/zinc/30/39/39/346303939.db2.gz MVXCTTNCEYGCME-UUASQNMZSA-N 0 0 258.128 3.116 10 30 CGEERN CO[C@@H](C#N)c1cc(Br)ccc1Cl ZINC000234751315 346332506 /nfs/dbraw/zinc/33/25/06/346332506.db2.gz SFSTUGBGDANILR-VIFPVBQESA-N 0 0 260.518 3.314 10 30 CGEERN Nc1cccc(C(=O)C2=CCCC2)c1Br ZINC000227635845 346310003 /nfs/dbraw/zinc/31/00/03/346310003.db2.gz XWMOXWJGUBGWIO-UHFFFAOYSA-N 0 0 266.138 3.324 10 30 CGEERN N#CC1([C@H](O)c2sccc2Br)CCC1 ZINC000228024148 346312866 /nfs/dbraw/zinc/31/28/66/346312866.db2.gz OWHDTUOPQCJESX-SECBINFHSA-N 0 0 272.167 3.238 10 30 CGEERN C#C[C@H](CC)Nc1ncc(Cl)cc1Br ZINC000229999744 346319012 /nfs/dbraw/zinc/31/90/12/346319012.db2.gz ONBKSRYSIFFOJU-MRVPVSSYSA-N 0 0 273.561 3.321 10 30 CGEERN N#Cc1cccc2c(I)cccc12 ZINC000238583947 346350446 /nfs/dbraw/zinc/35/04/46/346350446.db2.gz FOHZMCAFCHLKCT-UHFFFAOYSA-N 0 0 279.080 3.316 10 30 CGEERN CC=CC(=O)c1c(F)ccc(Br)c1F ZINC000236152231 346340050 /nfs/dbraw/zinc/34/00/50/346340050.db2.gz JULAUMLRSNUJST-UHFFFAOYSA-N 0 0 261.065 3.486 10 30 CGEERN c1cn2c(nc(-c3ccccc3)c2NN=C2N=CN=N2)s1 ZINC000255986725 346398759 /nfs/dbraw/zinc/39/87/59/346398759.db2.gz LYHKZHMQTLPAOR-UHFFFAOYSA-N 0 0 295.331 3.240 10 30 CGEERN CCN(CC)c1c(C#N)nc(C#N)cc1-c1ccccc1 ZINC000098178447 185698104 /nfs/dbraw/zinc/69/81/04/185698104.db2.gz KMOJCLIRVJTIPJ-UHFFFAOYSA-N 0 0 276.343 3.338 10 30 CGEERN C=C[C@H](C)Nc1cccc(F)c1I ZINC000300941829 346439355 /nfs/dbraw/zinc/43/93/55/346439355.db2.gz KEUCWAVPPWQWJU-ZETCQYMHSA-N 0 0 291.107 3.417 10 30 CGEERN CC[C@H](C#N)Nc1cc(F)cc(Br)c1 ZINC000306643936 346456256 /nfs/dbraw/zinc/45/62/56/346456256.db2.gz YECQGWIPWZMQOR-SECBINFHSA-N 0 0 257.106 3.302 10 30 CGEERN CC(C)(C)OC(=O)NOC(=O)[C@H]1CCCc2ccccc21 ZINC000309966330 346470777 /nfs/dbraw/zinc/47/07/77/346470777.db2.gz LCOYQNWZORLNIN-ZDUSSCGKSA-N 0 0 291.347 3.089 10 30 CGEERN C#CC[C@@H](NC(=O)OC(C)(C)C)c1cccs1 ZINC000409429475 346605381 /nfs/dbraw/zinc/60/53/81/346605381.db2.gz CLTUCIARMQGPRU-SNVBAGLBSA-N 0 0 251.351 3.337 10 30 CGEERN C#CCn1nc(-c2ccsc2)c2c1CCSC2 ZINC000409437060 346605996 /nfs/dbraw/zinc/60/59/96/346605996.db2.gz DCMBETGIXQLLKE-UHFFFAOYSA-N 0 0 260.387 3.034 10 30 CGEERN N#C[C@@]1(c2cccc(Br)c2)CCCOC1 ZINC000536950992 346650696 /nfs/dbraw/zinc/65/06/96/346650696.db2.gz YRNAXYZKMPEKSZ-LBPRGKRZSA-N 0 0 266.138 3.021 10 30 CGEERN N#Cc1cc(C(F)(F)F)c(C=O)cc1C(F)(F)F ZINC000514279391 346638098 /nfs/dbraw/zinc/63/80/98/346638098.db2.gz IWQTYPVVAOYCRT-UHFFFAOYSA-N 0 0 267.128 3.408 10 30 CGEERN C=C[C@](O)(c1ccc(Br)cc1)C(F)(F)F ZINC000584655567 346705601 /nfs/dbraw/zinc/70/56/01/346705601.db2.gz ILPYDCORKUAGDB-VIFPVBQESA-N 0 0 281.071 3.385 10 30 CGEERN CSc1ccc(C#C[C@@H](O)c2cccc(O)c2)cc1 ZINC000584595764 346687021 /nfs/dbraw/zinc/68/70/21/346687021.db2.gz PDQWBBVTJXNMLC-MRXNPFEDSA-N 0 0 270.353 3.199 10 30 CGEERN CS(=O)(=O)OCc1ccc(Sc2ccccc2)cc1 ZINC000584595788 346687100 /nfs/dbraw/zinc/68/71/00/346687100.db2.gz UGXRTWDPLDKUID-UHFFFAOYSA-N 0 0 294.397 3.314 10 30 CGEERN CO/N=C1\CCC\C1=C\c1cccc(OC)c1OC ZINC000584602798 346689828 /nfs/dbraw/zinc/68/98/28/346689828.db2.gz AHPCVARNEMWZQT-RXJLENPMSA-N 0 0 261.321 3.274 10 30 CGEERN Cc1ccc(CCC(=O)N[C@H]2CCC[C@H]2C#N)cc1Cl ZINC000610497147 348385056 /nfs/dbraw/zinc/38/50/56/348385056.db2.gz QFZLOMSOYVLATF-ZFWWWQNUSA-N 0 0 290.794 3.390 10 30 CGEERN N#Cc1cc(Cl)c(Cl)nc1-c1ccncc1 ZINC000616577478 348834861 /nfs/dbraw/zinc/83/48/61/348834861.db2.gz XSIPTWUDDUXVBY-UHFFFAOYSA-N 0 0 250.088 3.322 10 30 CGEERN N#Cc1ccc([C@H]2COCCN2Cc2ccccc2)cc1 ZINC000616639373 348853632 /nfs/dbraw/zinc/85/36/32/348853632.db2.gz MLNIYQFBKRWJJK-GOSISDBHSA-N 0 0 278.355 3.132 10 30 CGEERN CC(=O)N1CC[C@@H](c2ccccc2C#N)c2ccccc21 ZINC000616673357 348862160 /nfs/dbraw/zinc/86/21/60/348862160.db2.gz AMQKDEKWKNQGTD-INIZCTEOSA-N 0 0 276.339 3.447 10 30 CGEERN Cc1ncsc1CN(C)[C@@H]1CCCCC[C@@H]1C#N ZINC000104431810 186000626 /nfs/dbraw/zinc/00/06/26/186000626.db2.gz QGYODLUYGJJNNR-CHWSQXEVSA-N 0 0 263.410 3.356 10 30 CGEERN Cc1cc(C#N)c(N(CC2CC2)CC2CC2)nc1C ZINC000090562924 180004241 /nfs/dbraw/zinc/00/42/41/180004241.db2.gz RPGNJDFNTQPPEY-UHFFFAOYSA-N 0 0 255.365 3.197 10 30 CGEERN CCCC=C=CC(=O)c1ccc(Br)o1 ZINC000104837221 186027969 /nfs/dbraw/zinc/02/79/69/186027969.db2.gz VFPQSGHIGBOTKU-UHFFFAOYSA-N 0 0 255.111 3.418 10 30 CGEERN COc1ccc(CC/N=C(\C)c2ccccc2O)cc1OC ZINC000108410983 186215172 /nfs/dbraw/zinc/21/51/72/186215172.db2.gz DTTZPBCSBHBWMD-CPNJWEJPSA-N 0 0 299.370 3.461 10 30 CGEERN N#Cc1c(F)cccc1N[C@@H]1CCN(c2ccccc2)C1 ZINC000301206247 283076397 /nfs/dbraw/zinc/07/63/97/283076397.db2.gz SUMKUHYBVDLWIM-CYBMUJFWSA-N 0 0 281.334 3.388 10 30 CGEERN C=C(C)CN(CC)C(=O)N[C@H](C)COCc1ccccc1 ZINC000173333862 188850163 /nfs/dbraw/zinc/85/01/63/188850163.db2.gz NCXISNQWFRVQAQ-OAHLLOKOSA-N 0 0 290.407 3.199 10 30 CGEERN CC[S@](=O)[C@@H]1CCC[C@H](Nc2ccc(C#N)cc2)C1 ZINC000301519257 201042967 /nfs/dbraw/zinc/04/29/67/201042967.db2.gz CTDNKZSBSRFFCV-KHYOSLBOSA-N 0 0 276.405 3.050 10 30 CGEERN CC[S@](=O)[C@H]1CCC[C@H](Nc2ccc(F)cc2C#N)C1 ZINC000301592940 201084754 /nfs/dbraw/zinc/08/47/54/201084754.db2.gz XYCYUFRWPIPKNK-YRVVQQKDSA-N 0 0 294.395 3.189 10 30 CGEERN COc1ccc(CNc2cc(C)nc(C)c2C#N)cc1F ZINC000301766251 201184866 /nfs/dbraw/zinc/18/48/66/201184866.db2.gz HLWMKZLRTGEALJ-UHFFFAOYSA-N 0 0 285.322 3.330 10 30 CGEERN Cc1cccnc1[C@H](Nc1cccc(C#N)n1)C(C)C ZINC000301806713 201209236 /nfs/dbraw/zinc/20/92/36/201209236.db2.gz AHTYKBVHRRXBFM-OAHLLOKOSA-N 0 0 266.348 3.466 10 30 CGEERN Cc1cnn([C@@H]2CCCN(Cc3ccc(F)c(C#N)c3)C2)c1 ZINC000120182133 370745516 /nfs/dbraw/zinc/74/55/16/370745516.db2.gz AXDZSTBXEPFYNX-MRXNPFEDSA-N 0 0 298.365 3.039 10 30 CGEERN Cc1ccc(S(=O)(=O)O[C@H]2CCC[C@@H](C)C2)cc1 ZINC000001640350 368426597 /nfs/dbraw/zinc/42/65/97/368426597.db2.gz DRDLAHAGJXECGB-OLZOCXBDSA-N 0 0 268.378 3.279 10 30 CGEERN Cc1ccc(/N=C\c2cc([N+](=O)[O-])ccc2[O-])c(O)c1 ZINC000033896259 368969850 /nfs/dbraw/zinc/96/98/50/368969850.db2.gz CTCGXYRUNWUOOL-NVNXTCNLSA-N 0 0 272.260 3.065 10 30 CGEERN COc1ccc(NC2=NCCCS2)cc1Cl ZINC000034971943 368983655 /nfs/dbraw/zinc/98/36/55/368983655.db2.gz FAFISHSGKJTATE-UHFFFAOYSA-N 0 0 256.758 3.063 10 30 CGEERN C/C(=N/NC(=S)Nc1c(C)cccc1C)c1ccncc1 ZINC000034876813 368979199 /nfs/dbraw/zinc/97/91/99/368979199.db2.gz OHTKLMGTCWMATA-UYRXBGFRSA-N 0 0 298.415 3.409 10 30 CGEERN Cc1nn(-c2ccccc2)c(C)c1/C=C\C(=O)C1CC1 ZINC000033293836 368960889 /nfs/dbraw/zinc/96/08/89/368960889.db2.gz KFPFZDPTOOPYPB-KHPPLWFESA-N 0 0 266.344 3.481 10 30 CGEERN C=CCN(C(=O)c1ccc2c(c1)CCN2)C1CCCC1 ZINC000037817679 369117675 /nfs/dbraw/zinc/11/76/75/369117675.db2.gz MZJXFGVYOPSESU-UHFFFAOYSA-N 0 0 270.376 3.225 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NCc1cc(Br)ccc1F ZINC000054826263 369507079 /nfs/dbraw/zinc/50/70/79/369507079.db2.gz LAPZOYOZRBYJQM-TVQRCGJNSA-N 0 0 297.171 3.370 10 30 CGEERN CCc1ccc([C@@H]2CCCCN2C(=O)CSCC#N)o1 ZINC000128512835 370964480 /nfs/dbraw/zinc/96/44/80/370964480.db2.gz DOSVGFVCYBMFSG-ZDUSSCGKSA-N 0 0 292.404 3.152 10 30 CGEERN Cc1cc(C)c(C(=O)N[C@@H]2CCC[C@H]2C#N)c(C)c1 ZINC000061888873 369609859 /nfs/dbraw/zinc/60/98/59/369609859.db2.gz IHBHUHRNTKJQMW-UONOGXRCSA-N 0 0 256.349 3.034 10 30 CGEERN CCCOc1cccc(CN[C@@H]2CCC[C@H]2C#N)c1 ZINC000061892700 369610661 /nfs/dbraw/zinc/61/06/61/369610661.db2.gz AHUHGZBNIHFVDV-GOEBONIOSA-N 0 0 258.365 3.257 10 30 CGEERN N#C[C@H]1CCC[C@H]1NCc1ccc(Br)cc1F ZINC000061891810 369610990 /nfs/dbraw/zinc/61/09/90/369610990.db2.gz VUHMKWGHZDQWGK-NOZJJQNGSA-N 0 0 297.171 3.370 10 30 CGEERN COc1ccc(Cl)cc1CN[C@@H]1CCC[C@H]1C#N ZINC000061892712 369612303 /nfs/dbraw/zinc/61/23/03/369612303.db2.gz YWVZUZCMRAPZHO-GXFFZTMASA-N 0 0 264.756 3.130 10 30 CGEERN CNC(=O)c1cc(Cl)ccc1NCc1ccc(C#N)cc1 ZINC000079159800 369965814 /nfs/dbraw/zinc/96/58/14/369965814.db2.gz STEZZNHIDQQPSW-UHFFFAOYSA-N 0 0 299.761 3.183 10 30 CGEERN O=[N+]([O-])c1cccc(C=Nc2ccc3c[nH]nc3c2)c1 ZINC000089197302 370037914 /nfs/dbraw/zinc/03/79/14/370037914.db2.gz MBLURMWIWSTLMY-OVCLIPMQSA-N 0 0 266.260 3.222 10 30 CGEERN COc1ccc([C@@H](C)Nc2cccc(C#N)n2)cc1OC ZINC000080117936 369984534 /nfs/dbraw/zinc/98/45/34/369984534.db2.gz NGUKFVRRDRANQE-LLVKDONJSA-N 0 0 283.331 3.144 10 30 CGEERN C[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H]1C1CCC1 ZINC000102878031 370313297 /nfs/dbraw/zinc/31/32/97/370313297.db2.gz LJGDSSZAHMEDCQ-XJKSGUPXSA-N 0 0 298.386 3.117 10 30 CGEERN FC(F)(F)C(F)(F)C(F)(F)[C@]1(F)OC1(F)F ZINC000103539707 370332244 /nfs/dbraw/zinc/33/22/44/370332244.db2.gz HZTIKNWLZSIYHM-VKHMYHEASA-N 0 0 266.034 3.108 10 30 CGEERN C#Cc1cccc(NC(=O)[C@H]2Oc3ccccc3[C@@H]2C)c1 ZINC000117589576 370595540 /nfs/dbraw/zinc/59/55/40/370595540.db2.gz QGCBQCLKYUHJQB-SJCJKPOMSA-N 0 0 277.323 3.171 10 30 CGEERN C[C@@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)c1ccco1 ZINC000131745176 371128225 /nfs/dbraw/zinc/12/82/25/371128225.db2.gz FRKQYUCNCDMGOI-SECBINFHSA-N 0 0 257.249 3.233 10 30 CGEERN C=C(N=C(c1ccccc1)c1ccccc1)C(=O)OC ZINC000135835698 371450371 /nfs/dbraw/zinc/45/03/71/371450371.db2.gz SGKYVWKJSCXXKM-UHFFFAOYSA-N 0 0 265.312 3.211 10 30 CGEERN CCOC(=O)[C@@H](C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000336844146 213752107 /nfs/dbraw/zinc/75/21/07/213752107.db2.gz YMUXCMQNGDSBJW-JTQLQIEISA-N 0 0 286.356 3.348 10 30 CGEERN Cc1cnn([C@@H]2CCCN(Cc3cc(F)ccc3C#N)C2)c1 ZINC000160116628 372214526 /nfs/dbraw/zinc/21/45/26/372214526.db2.gz PICNPYSFGGRJAL-QGZVFWFLSA-N 0 0 298.365 3.039 10 30 CGEERN Cc1cc(C)c2ncc(C#N)c(N[C@H]3CCO[C@H]3C)c2c1 ZINC000301853173 373809044 /nfs/dbraw/zinc/80/90/44/373809044.db2.gz ACKZWBQAILELBH-WFASDCNBSA-N 0 0 281.359 3.313 10 30 CGEERN C[C@@]1(C=O)CC[C@H](c2sccc2Br)O1 ZINC000307267270 374145732 /nfs/dbraw/zinc/14/57/32/374145732.db2.gz IDUFGFZIQOGRBZ-SCZZXKLOSA-N 0 0 275.167 3.320 10 30 CGEERN C[C@@H](NC(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C)C1CCC1 ZINC000328629994 374371615 /nfs/dbraw/zinc/37/16/15/374371615.db2.gz PJBQFLHVWRQJSS-BNOWGMLFSA-N 0 0 282.428 3.130 10 30 CGEERN C[C@@H](NC(=O)c1ccnc(C#N)c1)c1ccc(Cl)s1 ZINC000192639587 375773994 /nfs/dbraw/zinc/77/39/94/375773994.db2.gz UVFHXSXWGWDFKJ-MRVPVSSYSA-N 0 0 291.763 3.159 10 30 CGEERN Cc1csc([C@H]2CCCN(C[C@H](C#N)CCC#N)C2)n1 ZINC000195402844 376101532 /nfs/dbraw/zinc/10/15/32/376101532.db2.gz IUMMHUKACUPLSO-KBPBESRZSA-N 0 0 288.420 3.074 10 30 CGEERN COc1cc(Br)ccc1C1(C#N)CCC1 ZINC000216024412 376156367 /nfs/dbraw/zinc/15/63/67/376156367.db2.gz SZKAVMGLMNGOIS-UHFFFAOYSA-N 0 0 266.138 3.403 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000250830300 377567784 /nfs/dbraw/zinc/56/77/84/377567784.db2.gz IVHKPEPVWIVHNG-LEOABGAYSA-N 0 0 274.408 3.401 10 30 CGEERN COc1c(F)cc(F)cc1C(=O)C(F)(F)C(F)(F)F ZINC000575242918 377764532 /nfs/dbraw/zinc/76/45/32/377764532.db2.gz XYQHJGHFNLVTHA-UHFFFAOYSA-N 0 0 290.134 3.354 10 30 CGEERN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(C#N)cc2)C1 ZINC000260883696 377809715 /nfs/dbraw/zinc/80/97/15/377809715.db2.gz OBLSHYGIUIGLCS-AWEZNQCLSA-N 0 0 272.348 3.283 10 30 CGEERN CCOC(=O)c1c(O)cc(C#N)cc1SC(F)(F)F ZINC000575392423 377900139 /nfs/dbraw/zinc/90/01/39/377900139.db2.gz ZZKKNUFYSZHOQS-UHFFFAOYSA-N 0 0 291.250 3.052 10 30 CGEERN COC(=O)c1cc(C(F)(F)F)c(C#N)cc1C(F)(F)F ZINC000575340949 377882011 /nfs/dbraw/zinc/88/20/11/377882011.db2.gz HOJYSKOBJYIDFC-UHFFFAOYSA-N 0 0 297.154 3.382 10 30 CGEERN COC(=O)c1ccc(C#N)c(C(F)(F)F)c1C(F)(F)F ZINC000575379825 377891063 /nfs/dbraw/zinc/89/10/63/377891063.db2.gz LRZCGJPKDHPCKJ-UHFFFAOYSA-N 0 0 297.154 3.382 10 30 CGEERN CCOC(=O)c1ccc(OC(F)(F)F)c(C#N)c1Cl ZINC000575382882 377892801 /nfs/dbraw/zinc/89/28/01/377892801.db2.gz MQURCFHPTKZODZ-UHFFFAOYSA-N 0 0 293.628 3.287 10 30 CGEERN N#Cc1c(C=O)ccc(C(F)(F)F)c1C(F)(F)F ZINC000575381191 377892996 /nfs/dbraw/zinc/89/29/96/377892996.db2.gz WKIPGJMHIPSWCL-UHFFFAOYSA-N 0 0 267.128 3.408 10 30 CGEERN COC(=O)c1cc(Cl)cc(C#N)c1C(F)(F)F ZINC000575383268 377893549 /nfs/dbraw/zinc/89/35/49/377893549.db2.gz MJNBCFBBCFDNAD-UHFFFAOYSA-N 0 0 263.602 3.017 10 30 CGEERN CCOC(=O)Cc1ccc(C#N)c(C(F)(F)F)c1Cl ZINC000575383401 377893993 /nfs/dbraw/zinc/89/39/93/377893993.db2.gz SWWONBOCTSHMNP-UHFFFAOYSA-N 0 0 291.656 3.336 10 30 CGEERN CCOC(=O)Cc1c(Cl)ccc(C#N)c1C(F)(F)F ZINC000575383308 377894063 /nfs/dbraw/zinc/89/40/63/377894063.db2.gz ONXNIOXQVQSMSP-UHFFFAOYSA-N 0 0 291.656 3.336 10 30 CGEERN CCOC(=O)c1cc(C#N)c(Cl)c(C(F)(F)F)c1 ZINC000575383074 377894104 /nfs/dbraw/zinc/89/41/04/377894104.db2.gz FPXGFGNEDRINSO-UHFFFAOYSA-N 0 0 277.629 3.407 10 30 CGEERN COC(=O)Cc1c(C#N)cc(C(F)(F)F)cc1C(F)F ZINC000575387341 377896023 /nfs/dbraw/zinc/89/60/23/377896023.db2.gz KGXWVNBGVFHENX-UHFFFAOYSA-N 0 0 293.191 3.230 10 30 CGEERN COC(=O)Cc1c(C#N)ccc(C(F)(F)F)c1C(F)F ZINC000575387914 377896194 /nfs/dbraw/zinc/89/61/94/377896194.db2.gz XRLTUJAPQPXISY-UHFFFAOYSA-N 0 0 293.191 3.230 10 30 CGEERN CCOc1cc(C(F)(F)F)c(CC#N)cc1C#N ZINC000575643677 377925797 /nfs/dbraw/zinc/92/57/97/377925797.db2.gz SMEZDRHKABGLAQ-UHFFFAOYSA-N 0 0 254.211 3.042 10 30 CGEERN CCOc1cc(Br)c(OCC)c(C#N)c1 ZINC000575681210 377955680 /nfs/dbraw/zinc/95/56/80/377955680.db2.gz QLMGDLXSRWQOCX-UHFFFAOYSA-N 0 0 270.126 3.118 10 30 CGEERN CCOc1cc(CC)c(OC(F)F)c(CC#N)c1 ZINC000575657386 377933332 /nfs/dbraw/zinc/93/33/32/377933332.db2.gz VMNPWPIGCDMTFA-UHFFFAOYSA-N 0 0 255.264 3.315 10 30 CGEERN CCOc1ccc(CC#N)c(CC)c1OC(F)F ZINC000575657513 377933765 /nfs/dbraw/zinc/93/37/65/377933765.db2.gz XPSNQEJIFFJIKQ-UHFFFAOYSA-N 0 0 255.264 3.315 10 30 CGEERN CCOc1ccc(Br)c(C#N)c1OCC ZINC000575681080 377956238 /nfs/dbraw/zinc/95/62/38/377956238.db2.gz OVCDIUJVCBPJTR-UHFFFAOYSA-N 0 0 270.126 3.118 10 30 CGEERN N#CCc1cc(O)c(OC(F)F)cc1C(F)(F)F ZINC000575662317 377938186 /nfs/dbraw/zinc/93/81/86/377938186.db2.gz WBFURXJGKSDFIA-UHFFFAOYSA-N 0 0 267.153 3.078 10 30 CGEERN N#CCc1ccc(OC(F)F)c(C(F)(F)F)c1[N+](=O)[O-] ZINC000575666988 377944224 /nfs/dbraw/zinc/94/42/24/377944224.db2.gz NELRGCIWTASKIK-UHFFFAOYSA-N 0 0 296.151 3.281 10 30 CGEERN N#CCc1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000575678999 377953147 /nfs/dbraw/zinc/95/31/47/377953147.db2.gz VRYLFJJZDNCASS-UHFFFAOYSA-N 0 0 275.489 3.077 10 30 CGEERN CCOC(=O)c1cc(C)c(C(F)(F)F)c(C#N)c1 ZINC000575394378 377902513 /nfs/dbraw/zinc/90/25/13/377902513.db2.gz GFGWSZBZJIDWAI-UHFFFAOYSA-N 0 0 257.211 3.062 10 30 CGEERN COC(=O)Cc1cc(C#N)cc(C)c1SC(F)(F)F ZINC000575395795 377903476 /nfs/dbraw/zinc/90/34/76/377903476.db2.gz RBJCXQLXKPQYEA-UHFFFAOYSA-N 0 0 289.278 3.194 10 30 CGEERN COc1cc(OC)cc(-c2snc(Cl)c2C#N)c1 ZINC000575433966 377908742 /nfs/dbraw/zinc/90/87/42/377908742.db2.gz AOLOGBNQTHPISP-UHFFFAOYSA-N 0 0 280.736 3.352 10 30 CGEERN N#Cc1cc(F)c(Br)c(OC(F)F)c1 ZINC000575680574 377954827 /nfs/dbraw/zinc/95/48/27/377954827.db2.gz RBFVOLDBFXDXEF-UHFFFAOYSA-N 0 0 266.016 3.061 10 30 CGEERN C[C@H]1C[C@H](C)CC(C#N)(NC(=O)OC(C)(C)C)C1 ZINC000575496972 377914710 /nfs/dbraw/zinc/91/47/10/377914710.db2.gz QGPQUJBIECNMSW-QWRGUYRKSA-N 0 0 252.358 3.230 10 30 CGEERN N#CCc1c(O)c(C(F)F)ccc1Br ZINC000575683688 377957678 /nfs/dbraw/zinc/95/76/78/377957678.db2.gz CIPGAFAJLUWEKJ-UHFFFAOYSA-N 0 0 262.053 3.158 10 30 CGEERN N#CCc1c(O)ccc(Br)c1C(F)F ZINC000575683954 377957994 /nfs/dbraw/zinc/95/79/94/377957994.db2.gz DPKSZRSRJPHGQQ-UHFFFAOYSA-N 0 0 262.053 3.158 10 30 CGEERN N#CCc1cc(Br)c(OC(F)(F)F)cc1O ZINC000575689999 377965033 /nfs/dbraw/zinc/96/50/33/377965033.db2.gz QVKPLPSEJXPHDW-UHFFFAOYSA-N 0 0 296.042 3.119 10 30 CGEERN CCc1cc(CC#N)c(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000575706197 377978539 /nfs/dbraw/zinc/97/85/39/377978539.db2.gz NCQCGTFPYYWUIM-UHFFFAOYSA-N 0 0 258.199 3.242 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)Nc1cccc2c1CCCC2 ZINC000408165438 379996035 /nfs/dbraw/zinc/99/60/35/379996035.db2.gz MHOFVAOIXWLRIR-ZFWWWQNUSA-N 0 0 283.375 3.379 10 30 CGEERN Cc1csc2ncnc(N[C@H]3CCC[C@H]3C#N)c12 ZINC000408472438 380013556 /nfs/dbraw/zinc/01/35/56/380013556.db2.gz VFDSRDWZXRJEHO-UWVGGRQHSA-N 0 0 258.350 3.104 10 30 CGEERN O=C1c2ccccc2CC[C@]12O[C@H]2c1ccccc1 ZINC000000159813 169558255 /nfs/dbraw/zinc/55/82/55/169558255.db2.gz KEGOBJMZUSOZFM-IRXDYDNUSA-N 0 0 250.297 3.326 10 30 CGEERN Cc1cccc(CSCC(=O)N[C@@H]2CCC[C@H]2C#N)c1 ZINC000359670932 381360808 /nfs/dbraw/zinc/36/08/08/381360808.db2.gz HGMBMLQKGVJDFC-LSDHHAIUSA-N 0 0 288.416 3.037 10 30 CGEERN N/C(Cc1ccc(OCc2ccc(Cl)s2)cc1)=N\O ZINC000019519600 184534719 /nfs/dbraw/zinc/53/47/19/184534719.db2.gz KVPJSDPTCFENEC-UHFFFAOYSA-N 0 0 296.779 3.269 10 30 CGEERN Cc1cnc([C@H](C)NC(=O)N2CCC[C@@H]2C2CCC2)o1 ZINC000329430229 542447171 /nfs/dbraw/zinc/44/71/71/542447171.db2.gz KBENFSHLUKGGQI-WCQYABFASA-N 0 0 277.368 3.223 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccc2c(c1)CCCCC2=O ZINC000329601176 542447817 /nfs/dbraw/zinc/44/78/17/542447817.db2.gz XLXAOFLLRAGMFD-HOCLYGCPSA-N 0 0 296.370 3.018 10 30 CGEERN O=C(N[C@@H]1CCCNC1=O)C1(Cc2ccccc2F)CC1 ZINC000329946258 542449108 /nfs/dbraw/zinc/44/91/08/542449108.db2.gz XRZCLYBEHCLUOA-CYBMUJFWSA-N 0 0 290.338 3.224 10 30 CGEERN Cn1ccc2cccc(NC(=O)N[C@@H]3CCC[C@H]3C#N)c21 ZINC000329906622 542449180 /nfs/dbraw/zinc/44/91/80/542449180.db2.gz KGCDIXDZIORQSS-QWHCGFSZSA-N 0 0 282.347 3.196 10 30 CGEERN CC(C)=NOC(=O)Nc1cc(Cl)nc(Cl)c1 ZINC000000162957 391907241 /nfs/dbraw/zinc/90/72/41/391907241.db2.gz VJBFCDMUXRSVPR-UHFFFAOYSA-N 0 0 262.096 3.333 10 30 CGEERN CCc1cnc([C@H](C)Nc2ccc(C#N)cn2)s1 ZINC000136407493 392477995 /nfs/dbraw/zinc/47/79/95/392477995.db2.gz SPGYXFJMNUMPAA-VIFPVBQESA-N 0 0 258.350 3.145 10 30 CGEERN N#Cc1ccc(N2CCCC[C@@H]2c2nccs2)nc1 ZINC000299643048 392580282 /nfs/dbraw/zinc/58/02/82/392580282.db2.gz KKJVGROGTGUIOX-GFCCVEGCSA-N 0 0 270.361 3.141 10 30 CGEERN Cc1cc(N2C[C@@H]3CCCC[C@H]3C2)c(C#N)c(C)n1 ZINC000301793104 392598254 /nfs/dbraw/zinc/59/82/54/392598254.db2.gz RSNDVTWCBQYCKC-KBPBESRZSA-N 0 0 255.365 3.197 10 30 CGEERN O=C[C@]1(Cc2ccc(Br)cc2)CCCS1 ZINC000307161117 392647718 /nfs/dbraw/zinc/64/77/18/392647718.db2.gz WPIWXZFNOQOEFS-GFCCVEGCSA-N 0 0 285.206 3.456 10 30 CGEERN C=C(C)CN(C)C(=O)N[C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000181900930 392737562 /nfs/dbraw/zinc/73/75/62/392737562.db2.gz HGTOYOLFIPMUGC-BBRMVZONSA-N 0 0 272.392 3.446 10 30 CGEERN Cc1cnc([C@@H](C)NCc2ccc(C#N)cc2Cl)o1 ZINC000221122298 393006462 /nfs/dbraw/zinc/00/64/62/393006462.db2.gz SSHOWMCHHXGYJM-SNVBAGLBSA-N 0 0 275.739 3.359 10 30 CGEERN C[C@H](NC(=O)NCc1ccc(C#N)cc1)c1cccs1 ZINC000047973328 286901106 /nfs/dbraw/zinc/90/11/06/286901106.db2.gz KRWCXKUSQCWOGP-NSHDSACASA-N 0 0 285.372 3.180 10 30 CGEERN CCS[C@@H]1CC[C@@H](Nc2nnc(C)c(C)c2C#N)C1 ZINC000078587534 165137145 /nfs/dbraw/zinc/13/71/45/165137145.db2.gz CVKYRKSUCZBNFS-VXGBXAGGSA-N 0 0 276.409 3.051 10 30 CGEERN N#Cc1cc(Br)ccc1NCC[C@@H]1CCCO1 ZINC000096731051 165398123 /nfs/dbraw/zinc/39/81/23/165398123.db2.gz WWEAWIYHVRAPLZ-LBPRGKRZSA-N 0 0 295.180 3.302 10 30 CGEERN N#Cc1cc2c(nc1[S@@](=O)Cc1ccccc1)CCCC2 ZINC000005027623 170057955 /nfs/dbraw/zinc/05/79/55/170057955.db2.gz XKBSDBNYNNLYGB-OAQYLSRUSA-N 0 0 296.395 3.140 10 30 CGEERN COc1cc(/C=N/N2[C@@H](C)CCC[C@@H]2C)cc(OC)c1O ZINC000005505418 170105503 /nfs/dbraw/zinc/10/55/03/170105503.db2.gz CVZVLRVUYJAWQL-OMZBXQEKSA-N 0 0 292.379 3.006 10 30 CGEERN Fc1cc(F)c(F)c(N=NCc2ccoc2)c1F ZINC000005949484 170161214 /nfs/dbraw/zinc/16/12/14/170161214.db2.gz MFUAXFDVDQBUJW-AYSLTRBKSA-N 0 0 258.174 3.282 10 30 CGEERN COC(=O)c1ccccc1/N=C/Cc1ccccc1 ZINC000005997553 170166465 /nfs/dbraw/zinc/16/64/65/170166465.db2.gz UTUBQSIVMXUACR-SFQUDFHCSA-N 0 0 253.301 3.418 10 30 CGEERN COc1ccc(/C=N/N2[C@H](C)CCC[C@@H]2C)cc1OC ZINC000006586327 170216394 /nfs/dbraw/zinc/21/63/94/170216394.db2.gz RRWJVYIHBKBYIJ-XOBNLNEMSA-N 0 0 276.380 3.301 10 30 CGEERN CC(C)c1nc(C#N)c(N=NCc2ccccc2F)o1 ZINC000006633915 170220365 /nfs/dbraw/zinc/22/03/65/170220365.db2.gz ZCRPEVOESRNVMG-CAOOACKPSA-N 0 0 272.283 3.255 10 30 CGEERN COc1cccc(/C=N/N(C)c2ccccc2)c1OC ZINC000007350980 170278986 /nfs/dbraw/zinc/27/89/86/170278986.db2.gz HRXNXDYPFWUYTN-SFQUDFHCSA-N 0 0 270.332 3.174 10 30 CGEERN N#Cc1ccc(CO/N=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000009453358 170377146 /nfs/dbraw/zinc/37/71/46/170377146.db2.gz QEMWRHGIIJZGKL-LICLKQGHSA-N 0 0 281.271 3.017 10 30 CGEERN C(#C[C@@H](c1ccccc1)N1CCOCC1)c1ccccc1 ZINC000015769069 170676469 /nfs/dbraw/zinc/67/64/69/170676469.db2.gz RJNDDABDYIZJQS-IBGZPJMESA-N 0 0 277.367 3.112 10 30 CGEERN Cc1ccc(SCc2cccc(/C(N)=N/O)c2)cc1 ZINC000019847750 170897256 /nfs/dbraw/zinc/89/72/56/170897256.db2.gz FFOHOSLKBRJGDS-UHFFFAOYSA-N 0 0 272.373 3.382 10 30 CGEERN C=CCNC(=O)[C@H](C)Nc1cccc(Cl)c1Cl ZINC000020359411 171158058 /nfs/dbraw/zinc/15/80/58/171158058.db2.gz LBDUXHJNNWUKLD-QMMMGPOBSA-N 0 0 273.163 3.096 10 30 CGEERN Cc1cc(CNc2ccccc2C#N)cc(C)c1O ZINC000020424226 171190804 /nfs/dbraw/zinc/19/08/04/171190804.db2.gz IGJXGLNGOILXGB-UHFFFAOYSA-N 0 0 252.317 3.493 10 30 CGEERN C[C@H]1CSC(Nc2ccccc2OC(F)F)=N1 ZINC000035295259 172107001 /nfs/dbraw/zinc/10/70/01/172107001.db2.gz TUZZLFIOGIJKAX-ZETCQYMHSA-N 0 0 258.293 3.000 10 30 CGEERN C[C@H](CSc1ccc2ccccc2c1)/C(N)=N/O ZINC000035676489 172347102 /nfs/dbraw/zinc/34/71/02/172347102.db2.gz RHGVIAVZCAFTRA-SNVBAGLBSA-N 0 0 260.362 3.314 10 30 CGEERN Cc1cccc(C=NNc2ccc([N+](=O)[O-])cc2)c1 ZINC000036267187 172562283 /nfs/dbraw/zinc/56/22/83/172562283.db2.gz FBBYYKDWKLNLAT-XNTDXEJSSA-N 0 0 255.277 3.349 10 30 CGEERN N#C[C@@H](NCc1ccccc1)c1ccc(F)cc1F ZINC000037939404 173879006 /nfs/dbraw/zinc/87/90/06/173879006.db2.gz VHAWPQXHCQSOSL-OAHLLOKOSA-N 0 0 258.271 3.319 10 30 CGEERN CC[C@@H](C)N[C@@H](C#N)c1ccc(OC)c(Br)c1 ZINC000038064546 174075502 /nfs/dbraw/zinc/07/55/02/174075502.db2.gz BQQYBTBKIFPJJG-SKDRFNHKSA-N 0 0 297.196 3.410 10 30 CGEERN N#C[C@H](c1ccc(F)c(F)c1)N1CCCCCC1 ZINC000038086115 174096850 /nfs/dbraw/zinc/09/68/50/174096850.db2.gz AFZXQSRZEUGJED-CQSZACIVSA-N 0 0 250.292 3.405 10 30 CGEERN N#Cc1ccccc1Cn1ccnc1-c1ccccc1 ZINC000040228380 174208419 /nfs/dbraw/zinc/20/84/19/174208419.db2.gz GCOSFWZVLJTWOS-UHFFFAOYSA-N 0 0 259.312 3.470 10 30 CGEERN C=CCNc1ncnc(Nc2cc(Cl)ccc2C)c1N ZINC000040704781 174379426 /nfs/dbraw/zinc/37/94/26/174379426.db2.gz BCVAGISCVPZEHK-UHFFFAOYSA-N 0 0 289.770 3.362 10 30 CGEERN C=CCNc1ncnc(Sc2ccc(Cl)cc2)c1N ZINC000040708818 174380430 /nfs/dbraw/zinc/38/04/30/174380430.db2.gz OZQNSUZZABFXGD-UHFFFAOYSA-N 0 0 292.795 3.461 10 30 CGEERN CN(Cc1cccc(C#N)c1)c1cc(F)ccc1[N+](=O)[O-] ZINC000061948231 175658316 /nfs/dbraw/zinc/65/83/16/175658316.db2.gz OBZZXSAPDHDJHJ-UHFFFAOYSA-N 0 0 285.278 3.242 10 30 CGEERN N#Cc1c(N)[nH]cc1-c1cccc(Cl)c1Cl ZINC000725244303 544111834 /nfs/dbraw/zinc/11/18/34/544111834.db2.gz LOKIXGIWFOTMHM-UHFFFAOYSA-N 0 0 252.104 3.442 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1cc2cc(F)ccc2s1 ZINC000336081759 228185849 /nfs/dbraw/zinc/18/58/49/228185849.db2.gz ASFFIIDHBAPFEL-JOYOIKCWSA-N 0 0 288.347 3.462 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)Nc1ccc2c(c1)CCCC2 ZINC000333725634 228211525 /nfs/dbraw/zinc/21/15/25/228211525.db2.gz VWOIBZWRHRANDF-ZBFHGGJFSA-N 0 0 283.375 3.379 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc([C@H]2CCOC2)cc1 ZINC000333751921 228212274 /nfs/dbraw/zinc/21/22/74/228212274.db2.gz ZQVHMZIEOFIFIC-DZKIICNBSA-N 0 0 299.374 3.004 10 30 CGEERN C=CCN(CC=C)C(=O)N[C@H]1CCc2ccccc21 ZINC000298742812 260161737 /nfs/dbraw/zinc/16/17/37/260161737.db2.gz KJSRRYPLYTYKSO-HNNXBMFYSA-N 0 0 256.349 3.058 10 30 CGEERN Cc1csc2c1ncnc2N[C@H]1CCC[C@@H]1C#N ZINC000408327843 260795970 /nfs/dbraw/zinc/79/59/70/260795970.db2.gz DLZOEGXNUOOWDY-ZJUUUORDSA-N 0 0 258.350 3.104 10 30 CGEERN C=CCCC(=O)N(CC=C)Cc1cccc([N+](=O)[O-])c1 ZINC000102244962 260970326 /nfs/dbraw/zinc/97/03/26/260970326.db2.gz HTZOVCFLGLTQCO-UHFFFAOYSA-N 0 0 274.320 3.076 10 30 CGEERN CCCCCCCCCC(=O)N[C@H]1CCCn2ncnc21 ZINC000177576630 261706680 /nfs/dbraw/zinc/70/66/80/261706680.db2.gz RSJMWJCESHZKMI-AWEZNQCLSA-N 0 0 292.427 3.370 10 30 CGEERN N#C[C@H]1CCC[C@H]1NCc1ccc(Cl)cc1F ZINC000160818385 262301373 /nfs/dbraw/zinc/30/13/73/262301373.db2.gz JWDBPJCTUPRICJ-NOZJJQNGSA-N 0 0 252.720 3.261 10 30 CGEERN C=CCCS(=O)(=O)N1CCCC[C@@H]1c1ccc(CC)o1 ZINC000120926486 263289285 /nfs/dbraw/zinc/28/92/85/263289285.db2.gz WVLPCNVWBQMEQS-CQSZACIVSA-N 0 0 297.420 3.275 10 30 CGEERN C=CCCS(=O)(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000162280231 264311684 /nfs/dbraw/zinc/31/16/84/264311684.db2.gz JBUGTUUEXPJJES-DOMZBBRYSA-N 0 0 279.405 3.121 10 30 CGEERN O=C(C#Cc1ccccc1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000081129641 264417714 /nfs/dbraw/zinc/41/77/14/264417714.db2.gz ZUHQWRCQDCKQFH-UONOGXRCSA-N 0 0 295.304 3.275 10 30 CGEERN C=CC[C@H](C)NC(=O)N[C@H]1CCCc2ccccc21 ZINC000116972719 267195066 /nfs/dbraw/zinc/19/50/66/267195066.db2.gz LEAOAJMMTKSEIA-WFASDCNBSA-N 0 0 258.365 3.328 10 30 CGEERN C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)c1c(F)cc(C#N)cc1F ZINC000246073894 287691845 /nfs/dbraw/zinc/69/18/45/287691845.db2.gz IZAPKWKWHLGGQZ-RTUWITSCSA-N 0 0 292.329 3.391 10 30 CGEERN C#CCC(C)(C)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000185859211 276774602 /nfs/dbraw/zinc/77/46/02/276774602.db2.gz FROQKAJRQNCGQK-AWEZNQCLSA-N 0 0 285.387 3.455 10 30 CGEERN CC(=O)Nc1ccc(/C=N/N2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000003277424 277065407 /nfs/dbraw/zinc/06/54/07/277065407.db2.gz ANKWRWPTZIYQHN-VYBPFTPOSA-N 0 0 273.380 3.242 10 30 CGEERN COc1ccc(/C=C2/COc3ccc(C)cc3C2=O)cc1O ZINC000090548078 277398834 /nfs/dbraw/zinc/39/88/34/277398834.db2.gz BZCADTHMZLYKAR-JYRVWZFOSA-N 0 0 296.322 3.368 10 30 CGEERN COc1ccc2c(c1)oc1c2CC[C@@](C)(C#N)C1=O ZINC000098181263 277447529 /nfs/dbraw/zinc/44/75/29/277447529.db2.gz OESHHDKHWUCFHI-HNNXBMFYSA-N 0 0 255.273 3.100 10 30 CGEERN C=C1[C@H](OC(C)=O)CC[C@]2(C)CC[C@@H](C(C)(C)O)C[C@@H]12 ZINC000252677798 277815121 /nfs/dbraw/zinc/81/51/21/277815121.db2.gz ZWIVVTOKXTZAOT-DLTWYDFYSA-N 0 0 280.408 3.462 10 30 CGEERN CCCCC[C@H]1C/C(=N\O)C=C(C)[C@@H]1C(=O)OC ZINC000101391387 278677872 /nfs/dbraw/zinc/67/78/72/278677872.db2.gz XZYFNMUHJRGSML-GPFZULNMSA-N 0 0 253.342 3.152 10 30 CGEERN CN(C(=O)N[C@H]1CCC[C@@H]1C#N)C1CCCCCC1 ZINC000336033211 288867418 /nfs/dbraw/zinc/86/74/18/288867418.db2.gz SICURXHDBMKNNM-OCCSQVGLSA-N 0 0 263.385 3.043 10 30 CGEERN O=C(N[C@@H]1CCCc2c(O)cccc21)[C@@H]1C[C@]12CCOC2 ZINC000330086630 295380452 /nfs/dbraw/zinc/38/04/52/295380452.db2.gz SGALQAPOHCKXLM-VBQJREDUSA-N 0 0 287.359 3.153 10 30 CGEERN N#Cc1cc(Cl)ccc1N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000227374218 303180784 /nfs/dbraw/zinc/18/07/84/303180784.db2.gz ZZHUZOURHNYMGG-BBRMVZONSA-N 0 0 290.794 3.343 10 30 CGEERN CC(C)[C@@H](C)NC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000131486486 327454601 /nfs/dbraw/zinc/45/46/01/327454601.db2.gz RETWYNUUUWWYCP-HIFRSBDPSA-N 0 0 273.380 3.375 10 30 CGEERN C=CC1CCN(C(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000171833464 329080262 /nfs/dbraw/zinc/08/02/62/329080262.db2.gz YVEPPTWRJJIAPO-OAHLLOKOSA-N 0 0 286.375 3.118 10 30 CGEERN C=C(C)CN(C)C(=O)N[C@H]1CCOc2c(C)cccc21 ZINC000188603478 329371249 /nfs/dbraw/zinc/37/12/49/329371249.db2.gz MPMDNWSNPYRNCW-AWEZNQCLSA-N 0 0 274.364 3.036 10 30 CGEERN C[C@H](NC(=O)C(C)(C)C#N)c1cccc(Br)c1 ZINC000044351701 329591220 /nfs/dbraw/zinc/59/12/20/329591220.db2.gz QCAFXXKCXZVGAP-VIFPVBQESA-N 0 0 295.180 3.176 10 30 CGEERN COCCNc1ccc(-c2cccc(OC)c2)cc1C#N ZINC000536954484 330382795 /nfs/dbraw/zinc/38/27/95/330382795.db2.gz MFADTYLUZSATGT-UHFFFAOYSA-N 0 0 282.343 3.292 10 30 CGEERN C=CCN(CC1CCCCC1)C(=O)[C@@H]1CCCO[C@@H]1C ZINC000191630962 333222630 /nfs/dbraw/zinc/22/26/30/333222630.db2.gz LYJNBCWBLDCESQ-GDBMZVCRSA-N 0 0 279.424 3.396 10 30 CGEERN CCCCOc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000061888715 333474710 /nfs/dbraw/zinc/47/47/10/333474710.db2.gz OAXGUUKQWYXXHM-GDBMZVCRSA-N 0 0 286.375 3.288 10 30 CGEERN C=CCN(C)C(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000155420511 334720947 /nfs/dbraw/zinc/72/09/47/334720947.db2.gz IFWBEPCVHMQJLG-NSHDSACASA-N 0 0 250.317 3.023 10 30 CGEERN C[C@H](C#N)CNC(=O)N[C@@H]1c2ccccc2CCC1(C)C ZINC000182734481 335839288 /nfs/dbraw/zinc/83/92/88/335839288.db2.gz OKGOCGASCJBCKV-IUODEOHRSA-N 0 0 285.391 3.159 10 30 CGEERN CSc1ccc(C)c(C(=O)N[C@@H]2CCC[C@@H]2C#N)c1 ZINC000335754768 534191147 /nfs/dbraw/zinc/19/11/47/534191147.db2.gz QEILARWSDDAZOX-BXUZGUMPSA-N 0 0 274.389 3.139 10 30 CGEERN C=CC[C@H](C(=O)NC[C@@H]1CCCC[C@@H]1O)c1ccccc1 ZINC000189837047 534325041 /nfs/dbraw/zinc/32/50/41/534325041.db2.gz XUCKORUHNJDVIV-ULQDDVLXSA-N 0 0 287.403 3.014 10 30 CGEERN CCN[C@H](C#N)CCOc1ccc2ccccc2c1 ZINC000062446981 520161801 /nfs/dbraw/zinc/16/18/01/520161801.db2.gz XXMYZZBPKYQMPM-HNNXBMFYSA-N 0 0 254.333 3.110 10 30 CGEERN CCCO[C@H]1CCCN(c2cc(C)ccc2C#N)C1 ZINC000051598149 520288105 /nfs/dbraw/zinc/28/81/05/520288105.db2.gz ITRXAHHMZZVCNX-HNNXBMFYSA-N 0 0 258.365 3.262 10 30 CGEERN N#C[C@H]1CCC[C@@H]1Nc1nc(C2CCCCC2)ns1 ZINC000333717948 534747959 /nfs/dbraw/zinc/74/79/59/534747959.db2.gz UBLKXWSYZSPDNF-NEPJUHHUSA-N 0 0 276.409 3.112 10 30 CGEERN C[C@@H]1CCC[C@](CO)(Nc2ccc(C#N)cc2F)C1 ZINC000053110078 524430868 /nfs/dbraw/zinc/43/08/68/524430868.db2.gz MLSJQUOQEJMRSQ-ABAIWWIYSA-N 0 0 262.328 3.050 10 30 CGEERN Cc1cc(NCc2cccc([N+](=O)[O-])c2)c(C#N)c(C)n1 ZINC000156840812 525280481 /nfs/dbraw/zinc/28/04/81/525280481.db2.gz PZARQKXRECWWJD-UHFFFAOYSA-N 0 0 282.303 3.090 10 30 CGEERN Cc1nnc(NCc2csc(C(C)C)n2)c(C#N)c1C ZINC000301177120 526372407 /nfs/dbraw/zinc/37/24/07/526372407.db2.gz MMVHJOSZJMFFLN-UHFFFAOYSA-N 0 0 287.392 3.157 10 30 CGEERN N#Cc1cc(Oc2cccc3c2NCCC3)ccn1 ZINC000061812722 526574997 /nfs/dbraw/zinc/57/49/97/526574997.db2.gz GFCHKYSVRPZLLA-UHFFFAOYSA-N 0 0 251.289 3.104 10 30 CGEERN N#Cc1cccnc1OCc1ccccc1Br ZINC000062705265 526755050 /nfs/dbraw/zinc/75/50/50/526755050.db2.gz INCCVHVFPOWGBU-UHFFFAOYSA-N 0 0 289.132 3.295 10 30 CGEERN CC(C)[C@@H]1N(C(=O)N[C@H]2CCC[C@@H]2C#N)CC12CCCC2 ZINC000333679940 528807880 /nfs/dbraw/zinc/80/78/80/528807880.db2.gz ZQSMKYGCMWCDHY-ILXRZTDVSA-N 0 0 289.423 3.289 10 30 CGEERN CC(C)[C@@]12C=C[C@@](C)(CC1)C(C#N)(C#N)C2(C#N)C#N ZINC000004770787 528895944 /nfs/dbraw/zinc/89/59/44/528895944.db2.gz QZUNQUHCTFYWHO-UONOGXRCSA-N 0 0 264.332 3.066 10 30 CGEERN CC(C)CC(=O)SCC[C@H](S)CCCCC(N)=O ZINC000016343197 571739981 /nfs/dbraw/zinc/73/99/81/571739981.db2.gz KMUSXGCRMMQDBP-LLVKDONJSA-N 0 0 291.482 3.027 10 30 endogenous,in-man CGEERN CCOc1cccc(/C=N\[C@@H]2COc3ccccc32)c1O ZINC000254968112 617701257 /nfs/dbraw/zinc/70/12/57/617701257.db2.gz BZMXEUYMZFRMHM-FNHQQPGVSA-N 0 0 283.327 3.344 10 30 CGEERN C#C[C@H](OC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000245575755 618716892 /nfs/dbraw/zinc/71/68/92/618716892.db2.gz HRNKJWFGMQVXHV-ZOWXZIJZSA-N 0 0 276.282 3.023 10 30 CGEERN CCCCCCCCC(=O)N1CCC[C@@H](C(=O)OC)C1 ZINC000112283592 638062187 /nfs/dbraw/zinc/06/21/87/638062187.db2.gz RGIYAVSDLWNGQY-CQSZACIVSA-N 0 0 283.412 3.149 10 30 CGEERN N#C[C@@H](C(=O)Cc1cccc(F)c1)c1nc2ccccc2[nH]1 ZINC000046706228 639997812 /nfs/dbraw/zinc/99/78/12/639997812.db2.gz ZLWWPHPIHIVAPH-ZDUSSCGKSA-N 0 0 293.301 3.121 10 30 CGEERN C#C[C@H](OC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1)C1CC1 ZINC000089490744 640648157 /nfs/dbraw/zinc/64/81/57/640648157.db2.gz FJMFTXJROMZZFN-ILXRZTDVSA-N 0 0 274.747 3.399 10 30 CGEERN C#C[C@H](C)OC(=O)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000246612512 640684927 /nfs/dbraw/zinc/68/49/27/640684927.db2.gz RWFFYQUSYJWJRZ-XDTLVQLUSA-N 0 0 293.160 3.118 10 30 CGEERN Cc1cc([N+](=O)[O-])ccc1/C=C\C(=O)c1cc(O)ccc1O ZINC000588450240 799695804 /nfs/dbraw/zinc/69/58/04/799695804.db2.gz PRXWPDGOGJKPFZ-UTCJRWHESA-N 0 0 299.282 3.211 10 30 CGEERN CC[C@](C)(OC)c1noc([C@@]2(C#N)CC23CCCC3)n1 ZINC000333860571 529380455 /nfs/dbraw/zinc/38/04/55/529380455.db2.gz RPZCUAWSYIIFOQ-ZFWWWQNUSA-N 0 0 275.352 3.067 10 30 CGEERN Cc1cc(N[C@@H]2CCC[C@H]3C[C@H]32)c(C#N)cc1[N+](=O)[O-] ZINC000591991952 346954216 /nfs/dbraw/zinc/95/42/16/346954216.db2.gz XPVLIKGFZUURIE-CYZMBNFOSA-N 0 0 271.320 3.375 10 30 CGEERN Cc1cc(C)cc([S@](=O)c2cccc(F)c2C#N)c1 ZINC000034418630 344939320 /nfs/dbraw/zinc/93/93/20/344939320.db2.gz LBVDDVGYIGXYFI-LJQANCHMSA-N 0 0 273.332 3.481 10 30 CGEERN C=CCN(c1ccc([N+](=O)[O-])c(C#N)c1)C1CCCC1 ZINC000034486439 344939666 /nfs/dbraw/zinc/93/96/66/344939666.db2.gz TTYCTBFWNVNWEC-UHFFFAOYSA-N 0 0 271.320 3.401 10 30 CGEERN CC[C@@H](C#N)C(=O)c1ccccc1Br ZINC000036916000 344945871 /nfs/dbraw/zinc/94/58/71/344945871.db2.gz ICHWNXUAJPXMIT-QMMMGPOBSA-N 0 0 252.111 3.182 10 30 CGEERN N#C[C@H]1CCCC[C@@H]1NCc1ccc(F)c(F)c1 ZINC000054827366 345139857 /nfs/dbraw/zinc/13/98/57/345139857.db2.gz GWMOINAUZALRRB-RISCZKNCSA-N 0 0 250.292 3.137 10 30 CGEERN CCCOc1ccc(CN[C@H]2CCC[C@@H]2C#N)cc1 ZINC000061891667 345235900 /nfs/dbraw/zinc/23/59/00/345235900.db2.gz BFROKQXZPFKCTM-ZBFHGGJFSA-N 0 0 258.365 3.257 10 30 CGEERN CCSC[C@H](C)N(C)c1cccc(F)c1C#N ZINC000074770363 345481032 /nfs/dbraw/zinc/48/10/32/345481032.db2.gz WDHJIDJEFUAFBV-JTQLQIEISA-N 0 0 252.358 3.275 10 30 CGEERN C[C@@H](C#N)[C@@H](O)c1ccc(Cl)cc1Br ZINC000126860954 346027264 /nfs/dbraw/zinc/02/72/64/346027264.db2.gz GQFIIWXFLBQSMI-QUBYGPBYSA-N 0 0 274.545 3.296 10 30 CGEERN C=CCC(=O)Nc1cc(C)ccc1Br ZINC000134866599 346084810 /nfs/dbraw/zinc/08/48/10/346084810.db2.gz HBTIYPZKKZFMKQ-UHFFFAOYSA-N 0 0 254.127 3.272 10 30 CGEERN C=CCN(C)c1ncc(Cl)cc1Br ZINC000162844849 346179946 /nfs/dbraw/zinc/17/99/46/346179946.db2.gz IWBFAWYIYYYKPK-UHFFFAOYSA-N 0 0 261.550 3.120 10 30 CGEERN CC(C)(C)Oc1ccc(Br)cc1C#N ZINC000165251803 346184016 /nfs/dbraw/zinc/18/40/16/346184016.db2.gz SXYNLJOQMJROFA-UHFFFAOYSA-N 0 0 254.127 3.498 10 30 CGEERN COCc1cc(C#N)cc(NC(=O)OC(C)(C)C)c1 ZINC000168344992 346190648 /nfs/dbraw/zinc/19/06/48/346190648.db2.gz XQVSJIPPURSOPX-UHFFFAOYSA-N 0 0 262.309 3.052 10 30 CGEERN CC(=O)[C@@H]1CCCCN1c1cccc(Cl)c1C#N ZINC000104429485 136526096 /nfs/dbraw/zinc/52/60/96/136526096.db2.gz IQJBOIHDKMJFCC-ZDUSSCGKSA-N 0 0 262.740 3.160 10 30 CGEERN O=C1CC[C@H](c2ccccc2)C=C1I ZINC000207054604 346284167 /nfs/dbraw/zinc/28/41/67/346284167.db2.gz ILFMSURTLRPSGM-JTQLQIEISA-N 0 0 298.123 3.452 10 30 CGEERN Cc1ccc(C2(C#N)CCC3(CC2)OCCO3)cc1 ZINC000196750775 346276559 /nfs/dbraw/zinc/27/65/59/346276559.db2.gz AHRMMSXYZOEOSC-UHFFFAOYSA-N 0 0 257.333 3.074 10 30 CGEERN N#CCc1cccc2c(=O)c3cccc(CC#N)c3oc12 ZINC000197171117 346277097 /nfs/dbraw/zinc/27/70/97/346277097.db2.gz IUONVXPJAMSDDT-UHFFFAOYSA-N 0 0 274.279 3.078 10 30 CGEERN C#Cc1cc(C(F)(F)F)cc(Br)c1N ZINC000221770412 346298258 /nfs/dbraw/zinc/29/82/58/346298258.db2.gz UBBQERSGSPQXSY-UHFFFAOYSA-N 0 0 264.044 3.031 10 30 CGEERN CC[Si](C#Cc1ccc(C(=O)OC)nc1)(CC)CC ZINC000224972457 346302086 /nfs/dbraw/zinc/30/20/86/346302086.db2.gz OXCYSZDVWJFRMJ-UHFFFAOYSA-N 0 0 275.424 3.267 10 30 CGEERN C#CC(C)(C)Oc1ccc(C=O)c(Br)c1 ZINC000232580349 346326713 /nfs/dbraw/zinc/32/67/13/346326713.db2.gz JYWFGKQFMOVSRN-UHFFFAOYSA-N 0 0 267.122 3.052 10 30 CGEERN N#CCc1cc(C(F)(F)F)cc(Br)c1N ZINC000238631716 346350162 /nfs/dbraw/zinc/35/01/62/346350162.db2.gz IBFGAGCSJNXHLR-UHFFFAOYSA-N 0 0 279.059 3.116 10 30 CGEERN O=C1C=CO[C@@H](c2cscc2Br)C1 ZINC000307551370 346463807 /nfs/dbraw/zinc/46/38/07/346463807.db2.gz SFJCRJZHIGSINH-SECBINFHSA-N 0 0 259.124 3.055 10 30 CGEERN N#CCc1cc(Br)c(C(F)(F)F)cc1N ZINC000396055491 346578894 /nfs/dbraw/zinc/57/88/94/346578894.db2.gz SCJSKWFMVHKGAS-UHFFFAOYSA-N 0 0 279.059 3.116 10 30 CGEERN CC(C)(C)OC(=O)N[C@H](CC=O)CSc1ccccc1 ZINC000584641348 346702761 /nfs/dbraw/zinc/70/27/61/346702761.db2.gz UEWIRPDWUYNHMZ-GFCCVEGCSA-N 0 0 295.404 3.261 10 30 CGEERN C=CCOc1ccc([N+](=O)[O-])cc1OC(=O)c1ccccc1 ZINC000584650959 346704596 /nfs/dbraw/zinc/70/45/96/346704596.db2.gz JSQTXJLRAZZPBF-UHFFFAOYSA-N 0 0 299.282 3.379 10 30 CGEERN CCC[C@@](C#N)(c1cccc(OC)c1)[C@H](C)C(=O)OCC ZINC000584596942 346687705 /nfs/dbraw/zinc/68/77/05/346687705.db2.gz UMZORKNUMXQUOD-DYVFJYSZSA-N 0 0 289.375 3.456 10 30 CGEERN C#C[C@@]1(O)C=C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C ZINC000584617749 346694526 /nfs/dbraw/zinc/69/45/26/346694526.db2.gz NZXVWAHOLYPUTB-JBKQDOAHSA-N 0 0 296.410 3.269 10 30 CGEERN CC[N@@H+]1CC[C@H]([C@@](C#N)(c2ccccc2)c2cccnc2)C1 ZINC000584633490 346699747 /nfs/dbraw/zinc/69/97/47/346699747.db2.gz NDMOYDOOJSHJCQ-OALUTQOASA-N 0 0 291.398 3.233 10 30 CGEERN C=CCN(CC=C)c1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000584634301 346700359 /nfs/dbraw/zinc/70/03/59/346700359.db2.gz XUWPHOYOTPYTGM-UHFFFAOYSA-N 0 0 275.739 3.167 10 30 CGEERN N#Cc1c(Br)cccc1N[C@H]1CCC[C@H](O)C1 ZINC000589561965 346800517 /nfs/dbraw/zinc/80/05/17/346800517.db2.gz QFJSVJFZJNOEEQ-UWVGGRQHSA-N 0 0 295.180 3.036 10 30 CGEERN Cc1ccc([C@@H]2C[C@H](C)CCN2c2cnc(C#N)cn2)o1 ZINC000125996731 136707919 /nfs/dbraw/zinc/70/79/19/136707919.db2.gz NDSHKNPSRWNMFO-RISCZKNCSA-N 0 0 282.347 3.227 10 30 CGEERN N#C[C@H]1CCCC[C@H]1NCc1cncc(Br)c1 ZINC000595688011 347337253 /nfs/dbraw/zinc/33/72/53/347337253.db2.gz AWVQVCVVYRBWGS-DGCLKSJQSA-N 0 0 294.196 3.016 10 30 CGEERN Cc1ccccc1/N=C1/NC(=O)/C(=C/c2ccccn2)S1 ZINC000103199025 185815685 /nfs/dbraw/zinc/81/56/85/185815685.db2.gz GPESKDVEGWYQSA-UVTDQMKNSA-N 0 0 295.367 3.282 10 30 CGEERN N#Cc1ccc(N[C@H]2CCC[C@H](O)C2)cc1C(F)(F)F ZINC000609448869 348344484 /nfs/dbraw/zinc/34/44/84/348344484.db2.gz KJVUSNJLODHSEV-JQWIXIFHSA-N 0 0 284.281 3.292 10 30 CGEERN COC(=O)N1C[C@H](c2cccc(C#N)c2)Nc2ccccc21 ZINC000616685001 348867238 /nfs/dbraw/zinc/86/72/38/348867238.db2.gz NLKABSGVVQXIJU-OAHLLOKOSA-N 0 0 293.326 3.298 10 30 CGEERN CCCc1nn(-c2ccc(C#N)cc2)c(Cl)c1C#N ZINC000104265114 185948843 /nfs/dbraw/zinc/94/88/43/185948843.db2.gz YGUZMELICNOHQE-UHFFFAOYSA-N 0 0 270.723 3.222 10 30 CGEERN C=CC[C@H](NC(=O)c1ccccc1)c1cccnc1 ZINC000090735328 180033469 /nfs/dbraw/zinc/03/34/69/180033469.db2.gz WVCUHMHAOGKHQK-HNNXBMFYSA-N 0 0 252.317 3.129 10 30 CGEERN CC(C)(C)OC(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 ZINC000091353022 180138178 /nfs/dbraw/zinc/13/81/78/180138178.db2.gz DEPZHMKTAHCTNM-VIFPVBQESA-N 0 0 286.253 3.049 10 30 CGEERN CC(C)(C)OC(=O)Nc1ccc2c(C#N)c[nH]c2c1 ZINC000091692412 180228160 /nfs/dbraw/zinc/22/81/60/180228160.db2.gz QEQWAKUBQUBAJI-UHFFFAOYSA-N 0 0 257.293 3.387 10 30 CGEERN Cc1cc(NCCOc2ccccc2)c(C#N)c(C)n1 ZINC000133750531 187704266 /nfs/dbraw/zinc/70/42/66/187704266.db2.gz WRDTULOKOJPGDX-UHFFFAOYSA-N 0 0 267.332 3.061 10 30 CGEERN N#Cc1ccc(-c2nc(CC3CCCCC3)no2)[nH]1 ZINC000273777979 192303305 /nfs/dbraw/zinc/30/33/05/192303305.db2.gz FWOZFCFWVWEMMS-UHFFFAOYSA-N 0 0 256.309 3.059 10 30 CGEERN N#Cc1nc2cc(F)c(F)cc2nc1-c1ccccc1 ZINC000039931698 283251577 /nfs/dbraw/zinc/25/15/77/283251577.db2.gz MSBLCYAKXUNIRH-UHFFFAOYSA-N 0 0 267.238 3.447 10 30 CGEERN Cc1nnc(N[C@@H]2CCC[C@H](C(F)(F)F)C2)c(C#N)c1C ZINC000298275314 200379588 /nfs/dbraw/zinc/37/95/88/200379588.db2.gz HTCLKSICRIIVCV-WDEREUQCSA-N 0 0 298.312 3.498 10 30 CGEERN Cc1nnc(N[C@H]2CCC[C@@H](C(F)(F)F)C2)c(C#N)c1C ZINC000298275305 200379629 /nfs/dbraw/zinc/37/96/29/200379629.db2.gz HTCLKSICRIIVCV-MNOVXSKESA-N 0 0 298.312 3.498 10 30 CGEERN Cc1csc(CN(C)c2ccc(Cl)c(C#N)n2)n1 ZINC000301286032 200964992 /nfs/dbraw/zinc/96/49/92/200964992.db2.gz MQGCWPUHIWNOEQ-UHFFFAOYSA-N 0 0 278.768 3.008 10 30 CGEERN COCCOc1ccc(Nc2cc(C)nc(C)c2C#N)cc1 ZINC000301762387 201181687 /nfs/dbraw/zinc/18/16/87/201181687.db2.gz GFLCZWMHKXWDQA-UHFFFAOYSA-N 0 0 297.358 3.339 10 30 CGEERN CCSC[C@@H](C)N(C)c1ccc(C#N)cc1F ZINC000301750836 201175618 /nfs/dbraw/zinc/17/56/18/201175618.db2.gz UQRBUSNQGOMHMG-SNVBAGLBSA-N 0 0 252.358 3.275 10 30 CGEERN COc1cccc(Sc2cccc(N)c2C#N)c1 ZINC000000020465 368271037 /nfs/dbraw/zinc/27/10/37/368271037.db2.gz SHCOEGYZJNZDIW-UHFFFAOYSA-N 0 0 256.330 3.300 10 30 in-vivo CGEERN CCCCOc1ccc2cc(C(=O)NO)ccc2c1 ZINC000027657408 368874656 /nfs/dbraw/zinc/87/46/56/368874656.db2.gz AXPGGLDXURIXNT-UHFFFAOYSA-N 0 0 259.305 3.138 10 30 CGEERN CC(=Cc1ccccc1F)C(=O)c1c(C)cc(C)[nH]c1=O ZINC000033248098 368961252 /nfs/dbraw/zinc/96/12/52/368961252.db2.gz ADNYJSVQZTVUSS-LUAWRHEFSA-N 0 0 285.318 3.417 10 30 CGEERN CC(C)=Nc1ccccc1C(=O)Nc1cccnc1 ZINC000048513503 369356967 /nfs/dbraw/zinc/35/69/67/369356967.db2.gz ZBHJMEGFRCYAMS-UHFFFAOYSA-N 0 0 253.305 3.446 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NCc1cccc(Br)c1 ZINC000054826339 369508007 /nfs/dbraw/zinc/50/80/07/369508007.db2.gz VQOMSSUGFNVQFN-WCQYABFASA-N 0 0 279.181 3.231 10 30 CGEERN CC[C@H](CC#N)N[C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000054183366 369497181 /nfs/dbraw/zinc/49/71/81/369497181.db2.gz UOHLNYLDJIJVNK-WCQYABFASA-N 0 0 292.379 3.055 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1cc2ccccc2s1 ZINC000061888270 369609346 /nfs/dbraw/zinc/60/93/46/369609346.db2.gz ZCISNDYIYGINCY-RYUDHWBXSA-N 0 0 270.357 3.323 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000061889093 369609824 /nfs/dbraw/zinc/60/98/24/369609824.db2.gz YHAYRZPANAJGSS-CMPLNLGQSA-N 0 0 282.265 3.127 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000061889269 369609834 /nfs/dbraw/zinc/60/98/34/369609834.db2.gz AARGXOFQGNZNQL-JQOLXWHASA-N 0 0 272.392 3.011 10 30 CGEERN C[C@H](N[C@@H]1CCC[C@@H]1C#N)c1ccc(F)c(F)c1 ZINC000061891208 369610580 /nfs/dbraw/zinc/61/05/80/369610580.db2.gz PYMFYTIKACZKQC-DRCTWCGVSA-N 0 0 250.292 3.308 10 30 CGEERN CC(C)(C)OC(=O)N1CCCC[C@H]1CCCS ZINC000095086317 370172110 /nfs/dbraw/zinc/17/21/10/370172110.db2.gz QJPVHDNZFXULFQ-NSHDSACASA-N 0 0 259.415 3.486 10 30 CGEERN N#CC(C#N)(Cc1ccccc1)C(=O)c1ccccc1 ZINC000098181281 370268793 /nfs/dbraw/zinc/26/87/93/370268793.db2.gz PUVUOVVXYSWWRH-UHFFFAOYSA-N 0 0 260.296 3.146 10 30 CGEERN N#Cc1cc(NC(=O)c2cccc3ncccc32)ccc1F ZINC000102198462 370300408 /nfs/dbraw/zinc/30/04/08/370300408.db2.gz XBNYCEWOAXLZHR-UHFFFAOYSA-N 0 0 291.285 3.498 10 30 CGEERN C[C@H](CC1CC1)NC(=O)Nc1ccc(F)c(C#N)c1 ZINC000112737863 370448206 /nfs/dbraw/zinc/44/82/06/370448206.db2.gz MSVNRGJYFLSRQY-SECBINFHSA-N 0 0 261.300 3.007 10 30 CGEERN COc1cc(-c2nc(-c3ccccn3)co2)ccc1CC#N ZINC000114335243 370498501 /nfs/dbraw/zinc/49/85/01/370498501.db2.gz XJIXNNQYHAJIFA-UHFFFAOYSA-N 0 0 291.310 3.478 10 30 CGEERN N#Cc1ccsc1C(=O)N1CCC[C@@H]1c1ccco1 ZINC000116044218 370545584 /nfs/dbraw/zinc/54/55/84/370545584.db2.gz SKINAJRESMYFEZ-LLVKDONJSA-N 0 0 272.329 3.190 10 30 CGEERN C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1cccc(C#N)c1 ZINC000117566455 370594750 /nfs/dbraw/zinc/59/47/50/370594750.db2.gz DQYDGXFOHXSAJS-ZBEGNZNMSA-N 0 0 278.311 3.061 10 30 CGEERN CC(C)COCCNc1ccc(Br)cc1C#N ZINC000130432343 371033279 /nfs/dbraw/zinc/03/32/79/371033279.db2.gz QIISVELESGOIGG-UHFFFAOYSA-N 0 0 297.196 3.405 10 30 CGEERN N#Cc1ccc(CNC(=O)N2CCC[C@H]2c2ccco2)cc1 ZINC000172113884 372908090 /nfs/dbraw/zinc/90/80/90/372908090.db2.gz IFLUVJYMZFRWKK-HNNXBMFYSA-N 0 0 295.342 3.198 10 30 CGEERN N#Cc1ccc(Oc2ncc([N+](=O)[O-])cc2Cl)cc1F ZINC000301293556 373734454 /nfs/dbraw/zinc/73/44/54/373734454.db2.gz WBLPVZVCHPKYDA-UHFFFAOYSA-N 0 0 293.641 3.446 10 30 CGEERN CC(C)CC[C@@H]1CCCN(c2ccc(C#N)nn2)C1 ZINC000301948067 373814907 /nfs/dbraw/zinc/81/49/07/373814907.db2.gz HUFNOUQKBWEDOZ-ZDUSSCGKSA-N 0 0 258.369 3.001 10 30 CGEERN Cc1ccc(N[C@H](C)c2cccc(O)c2)nc1C#N ZINC000302606164 373905662 /nfs/dbraw/zinc/90/56/62/373905662.db2.gz DEPQCDVYOSCJMG-LLVKDONJSA-N 0 0 253.305 3.140 10 30 CGEERN CCC[C@]1(COC)CCCN1c1cccc(F)c1C#N ZINC000302820538 373973546 /nfs/dbraw/zinc/97/35/46/373973546.db2.gz JSQLYLQSWLUWTL-MRXNPFEDSA-N 0 0 276.355 3.483 10 30 CGEERN Cc1ccc([C@H]2CN(Cc3ccc(C#N)s3)CCO2)o1 ZINC000180215180 373979155 /nfs/dbraw/zinc/97/91/55/373979155.db2.gz JCGHSNPNBBBQRL-OAHLLOKOSA-N 0 0 288.372 3.095 10 30 CGEERN Cc1ccc2c(c1)[C@@H](NC(=O)NCCCCC#N)[C@@H](C)C2 ZINC000181189596 374092974 /nfs/dbraw/zinc/09/29/74/374092974.db2.gz WQUZJBWEBWEYEQ-BBRMVZONSA-N 0 0 285.391 3.221 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NCc1cscc1Br ZINC000308799758 374179587 /nfs/dbraw/zinc/17/95/87/374179587.db2.gz AAGZWYHWOIQGDA-GZMMTYOYSA-N 0 0 285.210 3.292 10 30 CGEERN Cc1ccc2c(c1)[C@H](NC(=O)C1(C#N)CCCC1)[C@@H](C)C2 ZINC000182192681 374232913 /nfs/dbraw/zinc/23/29/13/374232913.db2.gz BNIGLLSYXUXTMB-XJKSGUPXSA-N 0 0 282.387 3.429 10 30 CGEERN C[C@H](Nc1cnn(-c2ncccc2C#N)c1)c1ccccc1 ZINC000186015219 374784555 /nfs/dbraw/zinc/78/45/55/374784555.db2.gz GFMZGKNMSLZAJH-ZDUSSCGKSA-N 0 0 289.342 3.312 10 30 CGEERN CC(C)(C#N)C(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000191208506 375596297 /nfs/dbraw/zinc/59/62/97/375596297.db2.gz HIFYKDPYGFMKDQ-LLVKDONJSA-N 0 0 292.329 3.221 10 30 CGEERN C=C1[C@H](OC(C)=O)CC[C@]2(C)CC[C@@H](C(C)(C)O)C[C@H]12 ZINC000225277592 376300519 /nfs/dbraw/zinc/30/05/19/376300519.db2.gz ZWIVVTOKXTZAOT-ANQUJSFKSA-N 0 0 280.408 3.462 10 30 CGEERN CCOC(=O)c1c(C#N)c(CC)ccc1C(F)F ZINC000575389408 377897666 /nfs/dbraw/zinc/89/76/66/377897666.db2.gz GIXVJQQIUXMKQS-UHFFFAOYSA-N 0 0 253.248 3.235 10 30 CGEERN CCOC(=O)Cc1c(C(F)F)ccc(C#N)c1CC ZINC000575389763 377897681 /nfs/dbraw/zinc/89/76/81/377897681.db2.gz QHUFECOREYXVDM-UHFFFAOYSA-N 0 0 267.275 3.164 10 30 CGEERN CCOC(=O)Cc1c(C#N)cc(C(F)F)cc1CC ZINC000575389458 377897841 /nfs/dbraw/zinc/89/78/41/377897841.db2.gz ITKOYUMKODYOAL-UHFFFAOYSA-N 0 0 267.275 3.164 10 30 CGEERN CCOC(=O)c1ccc(SC(F)(F)F)c(C#N)c1F ZINC000575390704 377900199 /nfs/dbraw/zinc/90/01/99/377900199.db2.gz SHHBNAWBNFTPCG-UHFFFAOYSA-N 0 0 293.241 3.486 10 30 CGEERN COC(=O)c1c(F)ccc(SC(F)(F)F)c1C#N ZINC000575390598 377898316 /nfs/dbraw/zinc/89/83/16/377898316.db2.gz CTWXYCKCLWFUKV-UHFFFAOYSA-N 0 0 279.214 3.096 10 30 CGEERN COC(=O)c1cc(C#N)cc(C(F)(F)F)c1C(F)(F)F ZINC000575340826 377881992 /nfs/dbraw/zinc/88/19/92/377881992.db2.gz CVWVRSMTUMBDPZ-UHFFFAOYSA-N 0 0 297.154 3.382 10 30 CGEERN COC(=O)c1cc(C#N)c(C(F)(F)F)c(C(F)(F)F)c1 ZINC000575341439 377882418 /nfs/dbraw/zinc/88/24/18/377882418.db2.gz XQJNENQPTFUHRB-UHFFFAOYSA-N 0 0 297.154 3.382 10 30 CGEERN COC(=O)c1c(C(F)(F)F)ccc(C#N)c1C(F)(F)F ZINC000575341496 377882788 /nfs/dbraw/zinc/88/27/88/377882788.db2.gz ZIQQMAKCHIUFQJ-UHFFFAOYSA-N 0 0 297.154 3.382 10 30 CGEERN N#CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1O ZINC000575340627 377882802 /nfs/dbraw/zinc/88/28/02/377882802.db2.gz RRISXGROJRLOFH-UHFFFAOYSA-N 0 0 269.144 3.496 10 30 CGEERN COC(=O)c1c(C#N)cc(F)cc1SC(F)(F)F ZINC000575390638 377898759 /nfs/dbraw/zinc/89/87/59/377898759.db2.gz JNCMFLJNUWTKDX-UHFFFAOYSA-N 0 0 279.214 3.096 10 30 CGEERN CCOC(=O)c1cc(O)cc(SC(F)(F)F)c1C#N ZINC000575392370 377900364 /nfs/dbraw/zinc/90/03/64/377900364.db2.gz WICRRYUGGGDPJF-UHFFFAOYSA-N 0 0 291.250 3.052 10 30 CGEERN CCOC(=O)c1cc(Cl)c(OC(F)(F)F)c(C#N)c1 ZINC000575382892 377892469 /nfs/dbraw/zinc/89/24/69/377892469.db2.gz ONKGHSPHUHXRHW-UHFFFAOYSA-N 0 0 293.628 3.287 10 30 CGEERN CCOC(=O)c1cc(C#N)c(OC(F)F)c(C(F)F)c1 ZINC000575385380 377894671 /nfs/dbraw/zinc/89/46/71/377894671.db2.gz NSCROGQSOIGHDX-UHFFFAOYSA-N 0 0 291.200 3.274 10 30 CGEERN CCOC(=O)Cc1cc(C#N)cc(CC)c1C(F)F ZINC000575389698 377897416 /nfs/dbraw/zinc/89/74/16/377897416.db2.gz KJPYTHJYWTXYIQ-UHFFFAOYSA-N 0 0 267.275 3.164 10 30 CGEERN O=C(/C=C/Cl)c1cccc(I)c1 ZINC000575501721 377916745 /nfs/dbraw/zinc/91/67/45/377916745.db2.gz PDWFKVXMWGZBGL-SNAWJCMRSA-N 0 0 292.503 3.226 10 30 CGEERN N#CCc1cc(OC(F)(F)F)cc(OC(F)F)c1C#N ZINC000575640776 377925285 /nfs/dbraw/zinc/92/52/85/377925285.db2.gz RUSZOSRNHIYUEL-UHFFFAOYSA-N 0 0 292.163 3.124 10 30 CGEERN N#Cc1c(Br)ccc(F)c1OC(F)F ZINC000575681163 377955606 /nfs/dbraw/zinc/95/56/06/377955606.db2.gz ZFCMYYRNXDYQBB-UHFFFAOYSA-N 0 0 266.016 3.061 10 30 CGEERN CCOc1ccc(OC(F)F)c(OCC)c1CC#N ZINC000575649181 377927175 /nfs/dbraw/zinc/92/71/75/377927175.db2.gz LRQUOWSDJOSJOY-UHFFFAOYSA-N 0 0 271.263 3.151 10 30 CGEERN CCOc1cc(OC(F)F)c(OCC)cc1CC#N ZINC000575651357 377928181 /nfs/dbraw/zinc/92/81/81/377928181.db2.gz ZSBXMZNHTFYZHF-UHFFFAOYSA-N 0 0 271.263 3.151 10 30 CGEERN CCOc1cc(OC(F)F)cc(OCC)c1CC#N ZINC000575650896 377928517 /nfs/dbraw/zinc/92/85/17/377928517.db2.gz UPMPBSUNBGCTOQ-UHFFFAOYSA-N 0 0 271.263 3.151 10 30 CGEERN COc1cc(OC(F)F)cc(C(F)F)c1CC#N ZINC000575652460 377929555 /nfs/dbraw/zinc/92/95/55/377929555.db2.gz QQSDKDACYNDRJN-UHFFFAOYSA-N 0 0 263.190 3.300 10 30 CGEERN COc1cc(CC#N)cc(OC(F)F)c1C(F)F ZINC000575651816 377929765 /nfs/dbraw/zinc/92/97/65/377929765.db2.gz DRSPUKXCHOWPIW-UHFFFAOYSA-N 0 0 263.190 3.300 10 30 CGEERN N#CCc1cc(O)c(C(F)(F)F)c(OC(F)F)c1 ZINC000575661099 377937226 /nfs/dbraw/zinc/93/72/26/377937226.db2.gz ABDSKWIPFLUZRS-UHFFFAOYSA-N 0 0 267.153 3.078 10 30 CGEERN CCOC(=O)c1cc(C#N)cc(OCC)c1C(F)(F)F ZINC000575671748 377948555 /nfs/dbraw/zinc/94/85/55/377948555.db2.gz WRHCCWJLXBDVEI-UHFFFAOYSA-N 0 0 287.237 3.152 10 30 CGEERN N#Cc1c(Cl)c(OC(F)F)ccc1OC(F)F ZINC000575674061 377949555 /nfs/dbraw/zinc/94/95/55/377949555.db2.gz BKIYLRPJRGZUOD-UHFFFAOYSA-N 0 0 269.581 3.414 10 30 CGEERN N#CCc1cc(Cl)cc([N+](=O)[O-])c1Br ZINC000575677325 377951435 /nfs/dbraw/zinc/95/14/35/377951435.db2.gz JAWGQHMBPXYYOR-UHFFFAOYSA-N 0 0 275.489 3.077 10 30 CGEERN N#Cc1c(OC(F)F)cc(Cl)cc1OC(F)F ZINC000575678477 377952708 /nfs/dbraw/zinc/95/27/08/377952708.db2.gz ZWIYFXAGPKKRKD-UHFFFAOYSA-N 0 0 269.581 3.414 10 30 CGEERN N#Cc1cc(OC(F)F)cc(F)c1Br ZINC000575680296 377953569 /nfs/dbraw/zinc/95/35/69/377953569.db2.gz LTVMWTVSVIGXDC-UHFFFAOYSA-N 0 0 266.016 3.061 10 30 CGEERN Nc1ccc(F)c(C(F)(F)F)c1OC(F)(F)F ZINC000575397391 377904843 /nfs/dbraw/zinc/90/48/43/377904843.db2.gz WDVJLNKPLLQLLO-UHFFFAOYSA-N 0 0 263.112 3.325 10 30 CGEERN C[C@@H]1CC[C@](C#N)(NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000575496684 377914690 /nfs/dbraw/zinc/91/46/90/377914690.db2.gz OGBUJMGUENBKER-JTNHKYCSSA-N 0 0 252.358 3.230 10 30 CGEERN CC(C)(C)OC(=O)NC1(C#N)CCC2(CC2)CC1 ZINC000575496090 377914766 /nfs/dbraw/zinc/91/47/66/377914766.db2.gz DJXDTPGNNURWQW-UHFFFAOYSA-N 0 0 250.342 3.128 10 30 CGEERN Cc1ccc(Br)c(CC#N)c1OC(F)F ZINC000575683464 377958280 /nfs/dbraw/zinc/95/82/80/377958280.db2.gz QCGOJJUPSWTESN-UHFFFAOYSA-N 0 0 276.080 3.425 10 30 CGEERN COc1cc(C(F)F)cc(Br)c1CC#N ZINC000575685417 377960025 /nfs/dbraw/zinc/96/00/25/377960025.db2.gz LBIXFUJCKSIISG-UHFFFAOYSA-N 0 0 276.080 3.461 10 30 CGEERN COc1c(Br)cc(OC(F)F)cc1CC#N ZINC000575685660 377960844 /nfs/dbraw/zinc/96/08/44/377960844.db2.gz WUHGMTAREFAXMN-UHFFFAOYSA-N 0 0 292.079 3.125 10 30 CGEERN Oc1cc(C(F)(F)F)c(OC(F)(F)F)cc1F ZINC000575703273 377977011 /nfs/dbraw/zinc/97/70/11/377977011.db2.gz GEFZCKYHSILQCD-UHFFFAOYSA-N 0 0 264.096 3.449 10 30 CGEERN CC(C)[C@H](C)CC(=O)N1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000373378975 379271015 /nfs/dbraw/zinc/27/10/15/379271015.db2.gz UMGGJLYEAJDWIX-INMHGKMJSA-N 0 0 292.423 3.122 10 30 CGEERN Cc1ccc(N2CCC[C@@H]2[C@H]2CCCC[C@@]2(C)O)nc1C#N ZINC000408037088 379989047 /nfs/dbraw/zinc/98/90/47/379989047.db2.gz YFVLXZPQWXKPKU-QGPMSJSTSA-N 0 0 299.418 3.172 10 30 CGEERN O=C1c2ccc(F)cc2N/C1=C1\Nc2cc(F)ccc2C1=O ZINC000211697328 285015958 /nfs/dbraw/zinc/01/59/58/285015958.db2.gz LIEVMSGBMCZJIX-YPKPFQOOSA-N 0 0 298.248 3.093 10 30 CGEERN Cc1cc(=O)[nH]c2cc(C(=O)N[C@@H]3CC3(C)C)ccc12 ZINC000329570818 542447496 /nfs/dbraw/zinc/44/74/96/542447496.db2.gz QMDXGBDJAIMGER-CYBMUJFWSA-N 0 0 270.332 3.352 10 30 CGEERN CCC1CCC(NC(=O)c2cc(F)cc3n[nH]nc32)CC1 ZINC000328647323 542443819 /nfs/dbraw/zinc/44/38/19/542443819.db2.gz HJTSDLOFWQUPJI-UHFFFAOYSA-N 0 0 290.342 3.370 10 30 CGEERN O=C(Nc1cc2c(cc1Cl)OCO2)N1C[C@H]2CCC[C@@H]21 ZINC000328891591 542445496 /nfs/dbraw/zinc/44/54/96/542445496.db2.gz SRWWQWBZHLHDDB-KCJUWKMLSA-N 0 0 294.738 3.099 10 30 CGEERN Cc1cnc([C@H](C)NC(=O)N2CC3(C2)CCCCC3)o1 ZINC000329547366 542446841 /nfs/dbraw/zinc/44/68/41/542446841.db2.gz DQHINOZCLKRFBY-LBPRGKRZSA-N 0 0 277.368 3.224 10 30 CGEERN Cc1cnc([C@H](C)NC(=O)N2CCC[C@H]2C2CCC2)o1 ZINC000329430227 542447148 /nfs/dbraw/zinc/44/71/48/542447148.db2.gz KBENFSHLUKGGQI-AAEUAGOBSA-N 0 0 277.368 3.223 10 30 CGEERN S[C@@H]1CCOC[C@@H]1Cc1ccc(Br)cc1 ZINC000095078955 184936816 /nfs/dbraw/zinc/93/68/16/184936816.db2.gz JDEILJTZNQLHJT-CMPLNLGQSA-N 0 0 287.222 3.327 10 30 CGEERN N#CCc1ccc(Br)c(Br)c1 ZINC000039127638 391983732 /nfs/dbraw/zinc/98/37/32/391983732.db2.gz DQIBJVLPBIGDSX-UHFFFAOYSA-N 0 0 274.943 3.278 10 30 CGEERN Cc1cc2c(n1C)CCC[C@H]2Nc1ccc(C#N)cn1 ZINC000301131114 392584472 /nfs/dbraw/zinc/58/44/72/392584472.db2.gz ROKSXHCHCVDCIA-CQSZACIVSA-N 0 0 266.348 3.090 10 30 CGEERN N#Cc1ccc(NC[C@@H]2C[C@]23CCCc2ccccc23)nn1 ZINC000301957124 392604624 /nfs/dbraw/zinc/60/46/24/392604624.db2.gz LECXYTIPTOTDHC-KBXCAEBGSA-N 0 0 290.370 3.054 10 30 CGEERN Cc1cc(C#N)ccc1CN(C)[C@H](C)C(=O)OC(C)(C)C ZINC000186249521 392780320 /nfs/dbraw/zinc/78/03/20/392780320.db2.gz YFYKNBNQFCSDJZ-CYBMUJFWSA-N 0 0 288.391 3.029 10 30 CGEERN N#Cc1cccnc1NC1C2CC3CC(C2)CC1C3 ZINC000216523437 392990659 /nfs/dbraw/zinc/99/06/59/392990659.db2.gz WVUPEJQREWOBMA-UHFFFAOYSA-N 0 0 253.349 3.190 10 30 CGEERN CC(C)(C)n1cc(C#N)c2c1[nH]c(=O)cc2C(F)(F)Cl ZINC000217013103 392992788 /nfs/dbraw/zinc/99/27/88/392992788.db2.gz OUNGFQDXKPVUDH-UHFFFAOYSA-N 0 0 299.708 3.244 10 30 CGEERN C=CC[C@@](CC)(CO)[C@@H](C)OC(=O)c1ccccc1 ZINC000584615178 393205552 /nfs/dbraw/zinc/20/55/52/393205552.db2.gz RSLGHZFRSVXRSS-CJNGLKHVSA-N 0 0 262.349 3.197 10 30 CGEERN CC(C)(C)OC(=O)N1CC2(CCCC2)CC[C@H]1C=O ZINC000675050885 543311257 /nfs/dbraw/zinc/31/12/57/543311257.db2.gz YIGDKJRYDUZGGY-LBPRGKRZSA-N 0 0 267.369 3.145 10 30 CGEERN COc1ccc(/C=C\C(=O)c2ccc(N)cc2)cc1 ZINC000004824514 170024603 /nfs/dbraw/zinc/02/46/03/170024603.db2.gz QIFZZXZSSXRDOT-WCIBSUBMSA-N 0 0 253.301 3.174 10 30 CGEERN C=C[C@@H]([C@@H](O)C1CCCCC1)n1nnc2ccccc21 ZINC000005631358 170122084 /nfs/dbraw/zinc/12/20/84/170122084.db2.gz IKQLLAVQVNOBQS-HOCLYGCPSA-N 0 0 271.364 3.100 10 30 CGEERN COc1c(Cl)c(Cl)c(C#N)c(Cl)c1C#N ZINC000005998568 170166409 /nfs/dbraw/zinc/16/64/09/170166409.db2.gz UXQSHXVXPDJKJU-UHFFFAOYSA-N 0 0 261.495 3.399 10 30 CGEERN C[C@H](Oc1ccc(C#N)cc1Cl)C(=O)NC1CCCC1 ZINC000007856988 170305166 /nfs/dbraw/zinc/30/51/66/170305166.db2.gz YROYAXDUJSMFCG-JTQLQIEISA-N 0 0 292.766 3.038 10 30 CGEERN N#Cc1ccc(NC(=O)c2n[nH]c3ccccc32)cc1Cl ZINC000008280200 170329005 /nfs/dbraw/zinc/32/90/05/170329005.db2.gz JMWBATDGJRBDPY-UHFFFAOYSA-N 0 0 296.717 3.340 10 30 CGEERN COc1cccc2c1CC/C(=C\c1ccncc1)C2=O ZINC000013824048 170600054 /nfs/dbraw/zinc/60/00/54/170600054.db2.gz GTPKCMXGFOLKOP-ACCUITESSA-N 0 0 265.312 3.303 10 30 CGEERN N#CCc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000019519220 170825005 /nfs/dbraw/zinc/82/50/05/170825005.db2.gz XCTQQNBELNZMCX-GFCCVEGCSA-N 0 0 254.358 3.482 10 30 CGEERN CCOc1cccc([C@@H](C#N)NCc2ccco2)c1 ZINC000020174962 171041926 /nfs/dbraw/zinc/04/19/26/171041926.db2.gz IIMDRYPQHSSEAJ-OAHLLOKOSA-N 0 0 256.305 3.033 10 30 CGEERN N#Cc1ccc(NC(=O)c2ccc(Cl)c(N)c2)cc1 ZINC000020193944 171059533 /nfs/dbraw/zinc/05/95/33/171059533.db2.gz XADCJOWUHLGJNY-UHFFFAOYSA-N 0 0 271.707 3.046 10 30 CGEERN C/C(=N\O)c1cccc(NC(=O)c2ccc(C)o2)c1 ZINC000020252657 171105337 /nfs/dbraw/zinc/10/53/37/171105337.db2.gz YXJVWUQVXWMJFF-MHWRWJLKSA-N 0 0 258.277 3.039 10 30 CGEERN N#CCc1ccc(Oc2ccc(CO)cc2F)cc1 ZINC000020435312 171201348 /nfs/dbraw/zinc/20/13/48/171201348.db2.gz WTINQVPJPUYTPR-UHFFFAOYSA-N 0 0 257.264 3.176 10 30 CGEERN Cc1cc2c(-c3ccccc3)nc(=O)[nH]c2c(C#N)c1C ZINC000027872720 171535435 /nfs/dbraw/zinc/53/54/35/171535435.db2.gz KNLQLBXHVJQEKB-UHFFFAOYSA-N 0 0 275.311 3.491 10 30 CGEERN O=C1C=C(Oc2ccccc2)C(=O)c2ccccc21 ZINC000029041092 171583717 /nfs/dbraw/zinc/58/37/17/171583717.db2.gz UCWKLNZSXHXPMB-UHFFFAOYSA-N 0 0 250.253 3.029 10 30 CGEERN CC(C)N[C@@H](C#N)c1cc(Br)ccc1F ZINC000034973834 171909804 /nfs/dbraw/zinc/90/98/04/171909804.db2.gz PXOODHPIJUXQGE-NSHDSACASA-N 0 0 271.133 3.151 10 30 CGEERN C#Cc1cccc(NC(=O)c2c[nH]c3ccccc23)c1 ZINC000035149982 172012419 /nfs/dbraw/zinc/01/24/19/172012419.db2.gz QXDKMSOMZBYOSU-UHFFFAOYSA-N 0 0 260.296 3.402 10 30 CGEERN C[C@@H](O)c1ccc(OCc2cccc(C#N)c2)cc1 ZINC000035199430 172044688 /nfs/dbraw/zinc/04/46/88/172044688.db2.gz LTBOVLHTSMCKSO-GFCCVEGCSA-N 0 0 253.301 3.191 10 30 CGEERN N#Cc1ccnc(Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000035286514 172104488 /nfs/dbraw/zinc/10/44/88/172104488.db2.gz AFWXKDRALQXNQI-UHFFFAOYSA-N 0 0 257.274 3.013 10 30 CGEERN CN[C@@H](c1ccc(F)c(F)c1)C(F)(F)C(F)(F)F ZINC000035494203 172227865 /nfs/dbraw/zinc/22/78/65/172227865.db2.gz ISSKXBLDDGWPGE-QMMMGPOBSA-N 0 0 275.167 3.423 10 30 CGEERN C=C(C)CN(CC)c1ccc([C@@H](C)O)cc1[N+](=O)[O-] ZINC000035631474 172313749 /nfs/dbraw/zinc/31/37/49/172313749.db2.gz IGAJCVPGAJMFHS-LLVKDONJSA-N 0 0 264.325 3.051 10 30 CGEERN Cc1nc2sccn2c1CNc1cccc(C#N)c1 ZINC000037203147 173026184 /nfs/dbraw/zinc/02/61/84/173026184.db2.gz URUGZLZVHNCPQH-UHFFFAOYSA-N 0 0 268.345 3.188 10 30 CGEERN COc1ccc([C@@H](C#N)C(=O)C2CCCCC2)cc1 ZINC000037346011 173143417 /nfs/dbraw/zinc/14/34/17/173143417.db2.gz MTGNAUQUAPAQEW-OAHLLOKOSA-N 0 0 257.333 3.452 10 30 CGEERN N#C[C@H](NCc1cccs1)c1ccc(F)cc1F ZINC000037939620 173878972 /nfs/dbraw/zinc/87/89/72/173878972.db2.gz HOLLDKWQNZSHCT-ZDUSSCGKSA-N 0 0 264.300 3.381 10 30 CGEERN CC[C@@H](C)N[C@@H](C#N)c1cc(Cl)c2c(c1)OCCO2 ZINC000038064450 174075524 /nfs/dbraw/zinc/07/55/24/174075524.db2.gz NVBYMICZHKRBRV-SKDRFNHKSA-N 0 0 280.755 3.064 10 30 CGEERN N#CC1(NC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)CCCCC1 ZINC000040215356 174204340 /nfs/dbraw/zinc/20/43/40/174204340.db2.gz FIVWRTLKJNNFRM-BFHYXJOUSA-N 0 0 260.381 3.155 10 30 CGEERN N#C[C@H](NC(=O)Nc1ccccc1)C1CCCCC1 ZINC000040220672 174206853 /nfs/dbraw/zinc/20/68/53/174206853.db2.gz KROTYYRXOLSQON-AWEZNQCLSA-N 0 0 257.337 3.281 10 30 CGEERN C=CCNc1ncnc(Nc2ccccc2CC)c1[N+](=O)[O-] ZINC000040586993 174345749 /nfs/dbraw/zinc/34/57/49/174345749.db2.gz VWGXRMQRMIEWMO-UHFFFAOYSA-N 0 0 299.334 3.289 10 30 CGEERN COc1ccccc1NC(=O)C1(C#N)CCCCC1 ZINC000044385071 175169654 /nfs/dbraw/zinc/16/96/54/175169654.db2.gz HOUVRJXFNQXPBW-UHFFFAOYSA-N 0 0 258.321 3.108 10 30 CGEERN N#C[C@H](Cc1ccccc1)C(=O)Nc1ccccc1F ZINC000044811075 175258076 /nfs/dbraw/zinc/25/80/76/175258076.db2.gz RGLMXICMDKMOQS-ZDUSSCGKSA-N 0 0 268.291 3.147 10 30 CGEERN N#Cc1ccc(CN2CCO[C@H]3CCCC[C@H]32)c(Cl)c1 ZINC000228719219 416522557 /nfs/dbraw/zinc/52/25/57/416522557.db2.gz AINIGKWPNVOHGP-CVEARBPZSA-N 0 0 290.794 3.355 10 30 CGEERN CCOC(=O)c1ncc(C(F)(F)F)cc1N=[N+]=[N-] ZINC000685945722 544110734 /nfs/dbraw/zinc/11/07/34/544110734.db2.gz XGWKOAUGHFPZIF-UHFFFAOYSA-N 0 0 260.175 3.219 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)N(CC1CC1)CC1CCC1 ZINC000329973921 228004108 /nfs/dbraw/zinc/00/41/08/228004108.db2.gz XBKZDGGQZIFGHD-GJZGRUSLSA-N 0 0 275.396 3.105 10 30 CGEERN Cc1cc2c(cc1NC(=O)N1CC[C@H]3CCC[C@H]31)OCO2 ZINC000330231733 228074706 /nfs/dbraw/zinc/07/47/06/228074706.db2.gz FCUUJVGOWVADHJ-DGCLKSJQSA-N 0 0 288.347 3.144 10 30 CGEERN Cc1ccc2ncnc(N[C@@H]3CCC[C@@H]3C#N)c2c1 ZINC000408086200 260222809 /nfs/dbraw/zinc/22/28/09/260222809.db2.gz HDFWFLHCVFGXGD-DGCLKSJQSA-N 0 0 252.321 3.042 10 30 CGEERN Cc1ccc2c(c1)[C@H](NC(=O)NCCCCC#N)[C@@H](C)C2 ZINC000181189580 261888707 /nfs/dbraw/zinc/88/87/07/261888707.db2.gz WQUZJBWEBWEYEQ-XJKSGUPXSA-N 0 0 285.391 3.221 10 30 CGEERN C[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCC(=O)NC23CCC3)C1 ZINC000328731811 263862358 /nfs/dbraw/zinc/86/23/58/263862358.db2.gz GTRFODTXKGCRKP-FRRDWIJNSA-N 0 0 293.411 3.110 10 30 CGEERN C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1C ZINC000119311833 267321706 /nfs/dbraw/zinc/32/17/06/267321706.db2.gz CJZAMEYEAFPIII-CVEARBPZSA-N 0 0 286.419 3.235 10 30 CGEERN COc1ccccc1NN=C1C(=O)C=Cc2ccccc21 ZINC000095628833 278051835 /nfs/dbraw/zinc/05/18/35/278051835.db2.gz BBBYRJLYBLPEBL-HTXNQAPBSA-N 0 0 278.311 3.107 10 30 CGEERN CC(=O)Nc1ccc(/N=C\c2ccc([N+](=O)[O-])cc2)cc1 ZINC000100207634 278189900 /nfs/dbraw/zinc/18/99/00/278189900.db2.gz IMXKJMANWWMXIO-YBEGLDIGSA-N 0 0 283.287 3.304 10 30 CGEERN CC(C)C[C@@H]1C[C@H](NC(=O)[C@H]2CCCCC(=O)N2)CCO1 ZINC000329916294 279053023 /nfs/dbraw/zinc/05/30/23/279053023.db2.gz YTXHHDNWXWQERT-MGPQQGTHSA-N 0 0 296.411 3.436 10 30 CGEERN C[C@@H]1SCCN(c2c(F)cc(C#N)cc2F)[C@H]1C ZINC000134771255 297668432 /nfs/dbraw/zinc/66/84/32/297668432.db2.gz QNHYGUKLPJGHIT-IUCAKERBSA-N 0 0 268.332 3.167 10 30 CGEERN C[C@H]1SCCN(c2c(F)cc(C#N)cc2F)[C@@H]1C ZINC000134771276 300658605 /nfs/dbraw/zinc/65/86/05/300658605.db2.gz QNHYGUKLPJGHIT-RKDXNWHRSA-N 0 0 268.332 3.167 10 30 CGEERN C[C@H]1CC[C@H](NC(=O)C2(C#N)CCOCC2)c2ccccc21 ZINC000125182979 327390903 /nfs/dbraw/zinc/39/09/03/327390903.db2.gz XKPWCIPCZPXZFM-BBRMVZONSA-N 0 0 298.386 3.062 10 30 CGEERN CC(C)(C)OC(=O)n1ccc2ccc(CC#N)cc21 ZINC000521400969 328674202 /nfs/dbraw/zinc/67/42/02/328674202.db2.gz UDHZEXBIXXWPMS-UHFFFAOYSA-N 0 0 256.305 3.491 10 30 CGEERN C#CCC(C)(C)C(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@H]1C ZINC000185624231 329328081 /nfs/dbraw/zinc/32/80/81/329328081.db2.gz PIKVUVOXEYFGGP-ZBFHGGJFSA-N 0 0 299.414 3.449 10 30 CGEERN CC(C)(C)c1ncc(CN[C@H]2CCC[C@H]2C#N)s1 ZINC000062839092 329353124 /nfs/dbraw/zinc/35/31/24/329353124.db2.gz KKUUVBNJJSBEJR-JQWIXIFHSA-N 0 0 263.410 3.222 10 30 CGEERN C[C@@H]1CCC[C@](C#N)(NC(=O)[C@@H]2CCCc3cccnc32)C1 ZINC000192585048 329434624 /nfs/dbraw/zinc/43/46/24/329434624.db2.gz RDPBOKAGLZYOBY-SIIHOXLZSA-N 0 0 297.402 3.090 10 30 CGEERN CCN(C[C@H](C)C#N)C(=O)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000183376485 333120613 /nfs/dbraw/zinc/12/06/13/333120613.db2.gz SGTQHVWWAPOYLU-MJBXVCDLSA-N 0 0 264.413 3.457 10 30 CGEERN C=C(C)C[C@H](C)C(=O)N[C@H](CCC)C(=O)OC(C)(C)C ZINC000186065973 333154233 /nfs/dbraw/zinc/15/42/33/333154233.db2.gz QNFLITNBNPXJMC-QWHCGFSZSA-N 0 0 283.412 3.215 10 30 CGEERN C=C[C@@](C)(CC)C(=O)NCC[C@@H](C)NC(=O)OC(C)(C)C ZINC000187845294 519296540 /nfs/dbraw/zinc/29/65/40/519296540.db2.gz CMVNOWXNIUWHLJ-WBMJQRKESA-N 0 0 298.427 3.008 10 30 CGEERN C=CCc1cc(OC)ccc1OC(=O)[C@@H]1CCCO[C@@H]1C ZINC000192193652 534417398 /nfs/dbraw/zinc/41/73/98/534417398.db2.gz CSJXLPFZVFBZTN-IUODEOHRSA-N 0 0 290.359 3.144 10 30 CGEERN CC1(C)CCCN1c1c(C#N)cnc2ccccc21 ZINC000063072207 520336813 /nfs/dbraw/zinc/33/68/13/520336813.db2.gz RUOAKQBRJRAOLT-UHFFFAOYSA-N 0 0 251.333 3.485 10 30 CGEERN CCNc1nc(-c2ccccc2OC)ccc1C#N ZINC000050871559 520351349 /nfs/dbraw/zinc/35/13/49/520351349.db2.gz VLNFCMSRAQHPGY-UHFFFAOYSA-N 0 0 253.305 3.061 10 30 CGEERN CCC[C@](C)(Nc1ccc(C#N)c(Cl)c1)C(=O)OC ZINC000061847524 521285869 /nfs/dbraw/zinc/28/58/69/521285869.db2.gz UIKLREOQBQXJKA-AWEZNQCLSA-N 0 0 280.755 3.355 10 30 CGEERN CN(Cc1cccc(N)c1)c1cc(Cl)ccc1C#N ZINC000062786037 523315156 /nfs/dbraw/zinc/31/51/56/523315156.db2.gz KIDYPRXBHIRZKS-UHFFFAOYSA-N 0 0 271.751 3.430 10 30 CGEERN Cc1ccc(C)c(OCC[C@@H](C#N)NC2CC2)c1C ZINC000062447428 524180219 /nfs/dbraw/zinc/18/02/19/524180219.db2.gz FYMDPOMWQXSNOU-HNNXBMFYSA-N 0 0 258.365 3.025 10 30 CGEERN COc1ccccc1C(=O)[C@@H](C#N)c1cccs1 ZINC000052902879 524363177 /nfs/dbraw/zinc/36/31/77/524363177.db2.gz OLPUZTVZDSFFPN-NSHDSACASA-N 0 0 257.314 3.247 10 30 CGEERN Cc1cccc(CSc2ccc(/C(N)=N/O)cc2)c1 ZINC000054965728 524462322 /nfs/dbraw/zinc/46/23/22/524462322.db2.gz TXEWXYAILZNIMX-UHFFFAOYSA-N 0 0 272.373 3.382 10 30 CGEERN Cc1cc(Oc2cncc(Cl)c2)c(C#N)c(C)n1 ZINC000156545263 525386511 /nfs/dbraw/zinc/38/65/11/525386511.db2.gz QRJVUSOJACBBJK-UHFFFAOYSA-N 0 0 259.696 3.411 10 30 CGEERN Cc1ccc(C#N)cc1NCC1(O)CCCCCC1 ZINC000050430219 526006868 /nfs/dbraw/zinc/00/68/68/526006868.db2.gz AUZZHHVODBENFE-UHFFFAOYSA-N 0 0 258.365 3.364 10 30 CGEERN N#CCN(C(=O)c1c(F)cccc1Cl)C1CCCC1 ZINC000057578404 526469275 /nfs/dbraw/zinc/46/92/75/526469275.db2.gz OHEBZJJRKCMHEH-UHFFFAOYSA-N 0 0 280.730 3.387 10 30 CGEERN N#C[C@@H]1CCCOc2ccc(Br)cc21 ZINC000062624326 526499503 /nfs/dbraw/zinc/49/95/03/526499503.db2.gz XSAMZJSPFYFXIZ-QMMMGPOBSA-N 0 0 252.111 3.229 10 30 CGEERN C=CC(C)(C)c1cc2cc(OC)c(OC)cc2oc1=O ZINC000005355915 526955991 /nfs/dbraw/zinc/95/59/91/526955991.db2.gz IPLJDPYEDULBAK-UHFFFAOYSA-N 0 0 274.316 3.274 10 30 endogenous,in-man CGEERN OCC#Cc1ccccc1CSCc1ccco1 ZINC000049623161 527520496 /nfs/dbraw/zinc/52/04/96/527520496.db2.gz VCXAJIFFLQBXCQ-UHFFFAOYSA-N 0 0 258.342 3.057 10 30 CGEERN CC(C)C1CCC(NC(=O)Cc2cncnc2)CC1 ZINC000329579043 527629584 /nfs/dbraw/zinc/62/95/84/527629584.db2.gz PFUVVVMLXUTQSX-UHFFFAOYSA-N 0 0 261.369 3.190 10 30 CGEERN CC1(C)CN(C(=O)N[C@@H]2CCC[C@@H]2C#N)[C@@H]1c1cccnc1 ZINC000330190289 529059744 /nfs/dbraw/zinc/05/97/44/529059744.db2.gz MKRGQCYMDPOYMA-BPLDGKMQSA-N 0 0 298.390 3.071 10 30 CGEERN N#Cc1cnc(-c2ccc(C(F)F)o2)nc1Cl ZINC000757196438 617842070 /nfs/dbraw/zinc/84/20/70/617842070.db2.gz YQNIMNMLWOMUDY-UHFFFAOYSA-N 0 0 255.611 3.199 10 30 CGEERN CON=Cc1ccc(C(=O)N[C@@H](C)c2ccccc2C)cc1 ZINC000255161606 618007043 /nfs/dbraw/zinc/00/70/43/618007043.db2.gz ZDOJUBJXRMBSCD-AWEZNQCLSA-N 0 0 296.370 3.466 10 30 CGEERN CC(C)(C)[C@H]1C=C(I)C(=O)CC1 ZINC000216168848 619231768 /nfs/dbraw/zinc/23/17/68/619231768.db2.gz RKJNHYGRPLZUGN-SSDOTTSWSA-N 0 0 278.133 3.331 10 30 CGEERN C=CCOc1ccccc1C(=O)O[C@@H](C)C1CCOCC1 ZINC000156000390 622592821 /nfs/dbraw/zinc/59/28/21/622592821.db2.gz YDKUGVDUVNRMKF-ZDUSSCGKSA-N 0 0 290.359 3.223 10 30 CGEERN CCCCCCCC(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000151127595 622732332 /nfs/dbraw/zinc/73/23/32/622732332.db2.gz GRUNBFMZKHWOFN-ZIAGYGMSSA-N 0 0 255.402 3.014 10 30 CGEERN N#C[C@H]1CCC[C@H]1NCc1cncc2ccccc21 ZINC000164966843 622852426 /nfs/dbraw/zinc/85/24/26/622852426.db2.gz AYPXNFWLQGNTMO-MLGOLLRUSA-N 0 0 251.333 3.017 10 30 CGEERN CC[C@H](OC(=O)CSCC#N)c1ccc(F)cc1 ZINC000060784003 623068828 /nfs/dbraw/zinc/06/88/28/623068828.db2.gz QPOYGLSBVNREKH-LBPRGKRZSA-N 0 0 267.325 3.077 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)c1cc2ccccc2c(Cl)n1 ZINC000061890290 623185626 /nfs/dbraw/zinc/18/56/26/623185626.db2.gz JJJSXFNGCUJBKK-DGCLKSJQSA-N 0 0 299.761 3.310 10 30 CGEERN COc1ccc(C#N)cc1COc1cccc([C@H](C)O)c1 ZINC000131173409 636571239 /nfs/dbraw/zinc/57/12/39/636571239.db2.gz BHMJSMMSFSJBCV-LBPRGKRZSA-N 0 0 283.327 3.199 10 30 CGEERN CCCCCCCCC(=O)N1[C@H](C)COC[C@H]1C ZINC000131331329 636628850 /nfs/dbraw/zinc/62/88/50/636628850.db2.gz DXBDNISZXAOLMB-ZIAGYGMSSA-N 0 0 255.402 3.373 10 30 CGEERN N#Cc1ccc(-c2nnc([C@H]3CCCOC3)o2)cc1Cl ZINC000886084520 637403084 /nfs/dbraw/zinc/40/30/84/637403084.db2.gz DGWILPDBUBFDDN-NSHDSACASA-N 0 0 289.722 3.156 10 30 CGEERN C#CCCCC(=O)O[C@@H](c1nc(C)cs1)C(F)(F)F ZINC000192372157 640366623 /nfs/dbraw/zinc/36/66/23/640366623.db2.gz WUOGKHJCQCXVBC-JTQLQIEISA-N 0 0 291.294 3.402 10 30 CGEERN C#CC[C@H](OC(=O)[C@H]1C[C@H]1c1cccc(OC)c1)C1CC1 ZINC000079205621 640383369 /nfs/dbraw/zinc/38/33/69/640383369.db2.gz NSBGYALACRLRDR-ULQDDVLXSA-N 0 0 284.355 3.144 10 30 CGEERN C=CCCO[C@@H](C)C(=O)O[C@@H](C)c1cccs1 ZINC000194564219 640540032 /nfs/dbraw/zinc/54/00/32/640540032.db2.gz BRSABMZDPCFFRA-QWRGUYRKSA-N 0 0 254.351 3.334 10 30 CGEERN C/C(=C/c1ccc(C)cc1)C(=O)O[C@@H](C#N)C(C)C ZINC000588402002 799688696 /nfs/dbraw/zinc/68/86/96/799688696.db2.gz WEWDGTZCQQTKCV-CTXBLAANSA-N 0 0 257.333 3.490 10 30 CGEERN N#CC1(COC(=O)/C=C\c2cccs2)CCCC1 ZINC000588411703 799691331 /nfs/dbraw/zinc/69/13/31/799691331.db2.gz IFRAXHYKNRTSRZ-WAYWQWQTSA-N 0 0 261.346 3.388 10 30 CGEERN CCn1cc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2C)cn1 ZINC000588450061 799695824 /nfs/dbraw/zinc/69/58/24/799695824.db2.gz KBFIQMRXSUUTSC-ALCCZGGFSA-N 0 0 285.303 3.016 10 30 CGEERN O=C(/C=C\c1cocn1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000588561536 799711087 /nfs/dbraw/zinc/71/10/87/799711087.db2.gz HBXBOMGRSPSRIO-RQOWECAXSA-N 0 0 278.651 3.132 10 30 CGEERN C=CCC1([NH2+]Cc2cc(C(=O)[O-])cs2)CCCC1 ZINC000690755662 976331641 /nfs/dbraw/zinc/33/16/41/976331641.db2.gz YUHMJHFEGHHUPB-UHFFFAOYSA-N 0 0 265.378 3.425 10 30 CGEERN CC(=O)N(C)c1ccc(/N=C\c2ccc(C#N)cc2)cc1 ZINC000095935908 185034273 /nfs/dbraw/zinc/03/42/73/185034273.db2.gz VINXWZSGJJHIOO-UNOMPAQXSA-N 0 0 277.327 3.292 10 30 CGEERN C[C@]1(C(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)CCCNC1=O ZINC000330316242 300742145 /nfs/dbraw/zinc/74/21/45/300742145.db2.gz PYEZWYCGIZGKPI-FSZRXZPDSA-N 0 0 298.386 3.428 10 30 CGEERN Cc1ccccc1COc1ccccc1OCC=O ZINC000035976661 344942660 /nfs/dbraw/zinc/94/26/60/344942660.db2.gz LDCKSTSPFPSUHV-UHFFFAOYSA-N 0 0 256.301 3.152 10 30 CGEERN O=C[C@@H]1CCCCN1Cc1ccc(Br)s1 ZINC000054237975 345131015 /nfs/dbraw/zinc/13/10/15/345131015.db2.gz TZIICZISJRLGNU-VIFPVBQESA-N 0 0 288.210 3.064 10 30 CGEERN CC1=C2c3ccccc3C(=O)N2Cc2ccccc2C1=O ZINC000070453633 345390916 /nfs/dbraw/zinc/39/09/16/345390916.db2.gz IATVHUQZZHVNGR-UHFFFAOYSA-N 0 0 275.307 3.270 10 30 CGEERN N#C[C@H]1CCO[C@H]1c1cccc(Br)c1 ZINC000070672360 345392730 /nfs/dbraw/zinc/39/27/30/345392730.db2.gz OWTOTXOKDMBYOK-KOLCDFICSA-N 0 0 252.111 3.050 10 30 CGEERN N#CCCSc1ccc(Br)cc1N ZINC000070601880 345392802 /nfs/dbraw/zinc/39/28/02/345392802.db2.gz ZNEWARNHBWHGGE-UHFFFAOYSA-N 0 0 257.156 3.037 10 30 CGEERN N#C[C@H]1CCO[C@@H]1c1cccc(Br)c1 ZINC000070672357 345392842 /nfs/dbraw/zinc/39/28/42/345392842.db2.gz OWTOTXOKDMBYOK-MWLCHTKSSA-N 0 0 252.111 3.050 10 30 CGEERN O=CCCCCOc1ccc(Br)cc1 ZINC000070738919 345393966 /nfs/dbraw/zinc/39/39/66/345393966.db2.gz GUBCYRIOQXUVBD-UHFFFAOYSA-N 0 0 257.127 3.197 10 30 CGEERN CCCCCCCCCCCCn1ccc(=O)[nH]c1=O ZINC000111548178 345950316 /nfs/dbraw/zinc/95/03/16/345950316.db2.gz LZZFCDIVIKIOEJ-UHFFFAOYSA-N 0 0 280.412 3.458 10 30 CGEERN N#Cc1ccc(NCC[C@H]2CCCO2)c(Br)c1 ZINC000126195570 346022971 /nfs/dbraw/zinc/02/29/71/346022971.db2.gz MIJUSFMLFNWQLJ-LLVKDONJSA-N 0 0 295.180 3.302 10 30 CGEERN CC1(C)C[C@](Br)(C#N)c2ccccc2O1 ZINC000127643751 346032898 /nfs/dbraw/zinc/03/28/98/346032898.db2.gz KGRJNANFDUKFJL-LBPRGKRZSA-N 0 0 266.138 3.361 10 30 CGEERN C#CC(C)(C)Oc1cc(O)c2c(c1)oc1ccccc1c2=O ZINC000140697248 346106009 /nfs/dbraw/zinc/10/60/09/346106009.db2.gz TUIBVKKBAOIPBH-UHFFFAOYSA-N 0 0 294.306 3.442 10 30 CGEERN CCC(O)(C#CC(=O)c1ccc(SC)cc1)CC ZINC000138265357 346095531 /nfs/dbraw/zinc/09/55/31/346095531.db2.gz JAEUXKRZUKTTBJ-UHFFFAOYSA-N 0 0 262.374 3.146 10 30 CGEERN C[C@H](O)C#Cc1ccc(Cc2ccc(F)cc2)s1 ZINC000138755895 346097747 /nfs/dbraw/zinc/09/77/47/346097747.db2.gz QBVRHSKZOZYWLO-NSHDSACASA-N 0 0 260.333 3.210 10 30 CGEERN CC(C)(C)[C@H](C#N)c1ccc(-c2cnc(N)nc2)cc1 ZINC000146472077 346123467 /nfs/dbraw/zinc/12/34/67/346123467.db2.gz HNGNJYRSTBTIFS-CQSZACIVSA-N 0 0 266.348 3.379 10 30 CGEERN N#CN=C(Nc1cc(F)ccc1F)Oc1ccccc1 ZINC000147693321 346126930 /nfs/dbraw/zinc/12/69/30/346126930.db2.gz NLWUDIHSEXRXGW-UHFFFAOYSA-N 0 0 273.242 3.293 10 30 CGEERN C=C(C)[C@@H](NN)c1ccc(Br)cc1Cl ZINC000158850817 346165470 /nfs/dbraw/zinc/16/54/70/346165470.db2.gz UPYTUTBQXIWNIG-SNVBAGLBSA-N 0 0 275.577 3.183 10 30 CGEERN C=C(Br)CNc1nc(Br)cs1 ZINC000168328901 346190697 /nfs/dbraw/zinc/19/06/97/346190697.db2.gz ZRMRWKLLDPDVSY-UHFFFAOYSA-N 0 0 298.003 3.226 10 30 CGEERN CC1(CCCC#CCCCO[C@H]2CCCCO2)OCCO1 ZINC000196584413 346276357 /nfs/dbraw/zinc/27/63/57/346276357.db2.gz VCTDRZCMUBRDQI-MRXNPFEDSA-N 0 0 296.407 3.247 10 30 CGEERN CS(=O)(=O)OCc1c2ccccc2ccc1C1CC1 ZINC000218192337 346292488 /nfs/dbraw/zinc/29/24/88/346292488.db2.gz LRWFJZXZLUTRJP-UHFFFAOYSA-N 0 0 276.357 3.193 10 30 CGEERN CC(C)(C)OC(=O)N1CCC(=Nc2ccccc2N)CC1 ZINC000085347916 179028850 /nfs/dbraw/zinc/02/88/50/179028850.db2.gz VPFRITYFCWYETA-UHFFFAOYSA-N 0 0 289.379 3.372 10 30 CGEERN C[C@@H](C#N)Nc1ccc(Br)c(Cl)c1 ZINC000232194983 346324832 /nfs/dbraw/zinc/32/48/32/346324832.db2.gz TUOMGJLZQJCDAY-LURJTMIESA-N 0 0 259.534 3.426 10 30 CGEERN C=CC(=O)c1c[nH]c2ccc(Br)cc12 ZINC000232472841 346326286 /nfs/dbraw/zinc/32/62/86/346326286.db2.gz KVEXPJHKNICPHR-UHFFFAOYSA-N 0 0 250.095 3.299 10 30 CGEERN COc1cc2c(CC#N)c[nH]c2cc1Br ZINC000238402091 346348908 /nfs/dbraw/zinc/34/89/08/346348908.db2.gz NULPRVKUPKJRKW-UHFFFAOYSA-N 0 0 265.110 3.005 10 30 CGEERN N#Cc1ccc(Oc2ccc(C=O)c3cccnc23)nc1 ZINC000098180943 185699004 /nfs/dbraw/zinc/69/90/04/185699004.db2.gz ATCRIZHFCDFHOV-UHFFFAOYSA-N 0 0 275.267 3.106 10 30 CGEERN CC(C)(C#N)c1ncc(Br)cc1Cl ZINC000306166125 346451404 /nfs/dbraw/zinc/45/14/04/346451404.db2.gz PIULYQOTFZPMGJ-UHFFFAOYSA-N 0 0 259.534 3.299 10 30 CGEERN CN(C(=O)OCc1ccccc1)c1cccc(C#N)c1 ZINC000306541597 346454773 /nfs/dbraw/zinc/45/47/73/346454773.db2.gz PXVGVINBADHFCK-UHFFFAOYSA-N 0 0 266.300 3.331 10 30 CGEERN N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[C@H]2C[C@H]21 ZINC000311725497 346474450 /nfs/dbraw/zinc/47/44/50/346474450.db2.gz VIRZRZBXHJKXNI-MRCXROJRSA-N 0 0 257.293 3.067 10 30 CGEERN N#CCc1ccc(N)c(C(F)(F)F)c1C(F)(F)F ZINC000514263292 346636423 /nfs/dbraw/zinc/63/64/23/346636423.db2.gz CVZDVQVZKKESHC-UHFFFAOYSA-N 0 0 268.160 3.372 10 30 CGEERN CCN(CC)OC(=O)c1cc(Cl)cc(Cl)c1 ZINC000584646332 346703832 /nfs/dbraw/zinc/70/38/32/346703832.db2.gz AQSSSMNHFLJOJL-UHFFFAOYSA-N 0 0 262.136 3.407 10 30 CGEERN CC(=NC#N)NCc1ccccc1Nc1ccccc1 ZINC000584601647 346689612 /nfs/dbraw/zinc/68/96/12/346689612.db2.gz HXBPAOYEHWBTGZ-UHFFFAOYSA-N 0 0 264.332 3.419 10 30 CGEERN Cc1cc(-c2ccccc2)ccc1C[C@@H](O)CC#N ZINC000584611797 346692412 /nfs/dbraw/zinc/69/24/12/346692412.db2.gz IAOUIEQFWIPQMI-KRWDZBQOSA-N 0 0 251.329 3.479 10 30 CGEERN C=C[C@@]1(O)c2ccccc2CC[C@H]1c1cccnc1 ZINC000584620716 346695852 /nfs/dbraw/zinc/69/58/52/346695852.db2.gz PYWQOVPNJCCXNA-DLBZAZTESA-N 0 0 251.329 3.185 10 30 CGEERN O=C1C=C[C@H](O)O[C@H]1c1ccc2oc3ccccc3c2c1 ZINC000584625564 346697044 /nfs/dbraw/zinc/69/70/44/346697044.db2.gz KDPBPVOBQGJOBS-SJORKVTESA-N 0 0 280.279 3.101 10 30 CGEERN Cc1ccc([C@@]2(c3ccccc3)O[C@@H](O)C=CC2=O)cc1C ZINC000584625158 346697080 /nfs/dbraw/zinc/69/70/80/346697080.db2.gz FQQWASWHHBRYPZ-RTBURBONSA-N 0 0 294.350 3.021 10 30 CGEERN N#Cc1cc(C(F)(F)F)ccc1N[C@@H]1CCC[C@@H](O)C1 ZINC000610715058 348398175 /nfs/dbraw/zinc/39/81/75/348398175.db2.gz JRLNJEGTSHJGNC-VXGBXAGGSA-N 0 0 284.281 3.292 10 30 CGEERN COC(=O)N1CCCCC[C@H]1c1ccccc1C#N ZINC000616622921 348848941 /nfs/dbraw/zinc/84/89/41/348848941.db2.gz HZPWNPBINKCUEV-AWEZNQCLSA-N 0 0 258.321 3.242 10 30 CGEERN COC(=O)N1C[C@@H](c2ccccc2C#N)Nc2ccccc21 ZINC000616683873 348866354 /nfs/dbraw/zinc/86/63/54/348866354.db2.gz FHMZXTBVUYUOTB-HNNXBMFYSA-N 0 0 293.326 3.298 10 30 CGEERN CC(=O)N1c2ccccc2NC[C@H]1c1cccc(C#N)c1 ZINC000616685333 348867197 /nfs/dbraw/zinc/86/71/97/348867197.db2.gz UGWXXPQFNBIPRF-KRWDZBQOSA-N 0 0 277.327 3.078 10 30 CGEERN N#Cc1ccc2c(c1)O[C@](F)(Cl)[C@](F)(Cl)O2 ZINC000091252455 180114853 /nfs/dbraw/zinc/11/48/53/180114853.db2.gz PFKJVDZATHNTLQ-BDAKNGLRSA-N 0 0 266.030 3.054 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NCc1ccccc1C(F)(F)F ZINC000061626627 283065370 /nfs/dbraw/zinc/06/53/70/283065370.db2.gz XAGGLINXXWFZAW-MFKMUULPSA-N 0 0 268.282 3.487 10 30 CGEERN N#C[C@H]1CCC[C@H]1NCc1ccccc1C(F)(F)F ZINC000061626625 283066100 /nfs/dbraw/zinc/06/61/00/283066100.db2.gz XAGGLINXXWFZAW-ZWNOBZJWSA-N 0 0 268.282 3.487 10 30 CGEERN N#Cc1ccc(N2CC[C@@H](O)c3ccccc3C2)c(F)c1 ZINC000368227042 283165704 /nfs/dbraw/zinc/16/57/04/283165704.db2.gz YUGFHJBGFVLPDG-QGZVFWFLSA-N 0 0 282.318 3.141 10 30 CGEERN CCOc1ccc(CNc2cccc(C#N)n2)cc1C ZINC000301272333 200958241 /nfs/dbraw/zinc/95/82/41/200958241.db2.gz KNCNZAFJTCQLRA-UHFFFAOYSA-N 0 0 267.332 3.273 10 30 CGEERN CC(C)COCCNc1cc(C#N)nc2ccccc21 ZINC000301343120 200981397 /nfs/dbraw/zinc/98/13/97/200981397.db2.gz GFVWBNRQXYGJDF-UHFFFAOYSA-N 0 0 269.348 3.191 10 30 CGEERN COC(=O)c1cccc(Oc2cc(C)nc(C)c2C#N)c1 ZINC000301776704 201189687 /nfs/dbraw/zinc/18/96/87/201189687.db2.gz LKHWXMGOLYJICT-UHFFFAOYSA-N 0 0 282.299 3.149 10 30 CGEERN CC(C)c1nc(CNc2cccc(C#N)n2)cs1 ZINC000301857933 201236195 /nfs/dbraw/zinc/23/61/95/201236195.db2.gz SBAXNFXAUFTJFH-UHFFFAOYSA-N 0 0 258.350 3.145 10 30 CGEERN COc1ccc(CNc2ccc(C)c(C#N)n2)cc1C ZINC000302669715 201504072 /nfs/dbraw/zinc/50/40/72/201504072.db2.gz RAXGIWHEAUJNTP-UHFFFAOYSA-N 0 0 267.332 3.191 10 30 CGEERN N#Cc1ccc2[nH]c3c(c2c1)CC(=O)Nc1ccccc1-3 ZINC000001863090 368440494 /nfs/dbraw/zinc/44/04/94/368440494.db2.gz LBVIZFWUIQSZHP-UHFFFAOYSA-N 0 0 273.295 3.201 10 30 in-vitro CGEERN N#CC1(C(=O)N2CC=C(c3ccccc3)CC2)CCCC1 ZINC000029978029 368899697 /nfs/dbraw/zinc/89/96/97/368899697.db2.gz NZXYYPXJOCBJRT-UHFFFAOYSA-N 0 0 280.371 3.386 10 30 CGEERN COc1cc(CC(=O)NO)cc(-c2ccc(Cl)cc2)c1 ZINC000033828881 368968470 /nfs/dbraw/zinc/96/84/70/368968470.db2.gz ITQAGQKCDVASQC-UHFFFAOYSA-N 0 0 291.734 3.064 10 30 CGEERN Cc1ccc(NC[C@H](C)C#N)c(Br)c1 ZINC000032107777 368925145 /nfs/dbraw/zinc/92/51/45/368925145.db2.gz QSKUXQVUBSPVAW-SECBINFHSA-N 0 0 253.143 3.329 10 30 CGEERN COc1cccc(C(=O)/C=C\c2ccc3c(c2)OCO3)c1 ZINC000033410880 368964000 /nfs/dbraw/zinc/96/40/00/368964000.db2.gz ICWXVAQKXOBMJZ-ALCCZGGFSA-N 0 0 282.295 3.320 10 30 CGEERN N#Cc1cccc(NC(=O)N[C@H]2CCOc3ccccc32)c1 ZINC000053961234 369491487 /nfs/dbraw/zinc/49/14/87/369491487.db2.gz JSPHWHKAVYSBCZ-HNNXBMFYSA-N 0 0 293.326 3.204 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1cccc2ccccc21 ZINC000061888866 369609427 /nfs/dbraw/zinc/60/94/27/369609427.db2.gz PRHCJOOQAWATFJ-BBRMVZONSA-N 0 0 264.328 3.262 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NCc1ccccc1OC(F)F ZINC000061891502 369610683 /nfs/dbraw/zinc/61/06/83/369610683.db2.gz KITOIIOLDQAVIL-CMPLNLGQSA-N 0 0 266.291 3.070 10 30 CGEERN C[C@H](N[C@H]1CCC[C@@H]1C#N)c1ccc(F)c(F)c1 ZINC000061891210 369611216 /nfs/dbraw/zinc/61/12/16/369611216.db2.gz PYMFYTIKACZKQC-PXWWUCIGSA-N 0 0 250.292 3.308 10 30 CGEERN CC(C)n1nc(-c2ccc(F)c(C#N)c2)c2c1ccnc2N ZINC000116304173 370556056 /nfs/dbraw/zinc/55/60/56/370556056.db2.gz OSYHTKVXXOEPCO-UHFFFAOYSA-N 0 0 295.321 3.272 10 30 CGEERN CC(C)[C@H](C)CC(=O)N[C@]1(C#N)CCC[C@@H](C)C1 ZINC000116810931 370570154 /nfs/dbraw/zinc/57/01/54/370570154.db2.gz QFDINBKLMAGPPQ-UMVBOHGHSA-N 0 0 250.386 3.257 10 30 CGEERN COc1cccc(CNc2cc(C)nc(C)c2C#N)c1 ZINC000133749078 371277442 /nfs/dbraw/zinc/27/74/42/371277442.db2.gz HFOKKDBTZLYCBN-UHFFFAOYSA-N 0 0 267.332 3.191 10 30 CGEERN C[C@H]1CC(CNc2nc(Cl)c(C#N)s2)C[C@H](C)O1 ZINC000287548675 371671585 /nfs/dbraw/zinc/67/15/85/371671585.db2.gz BXAQDMLAJIOQPP-YUMQZZPRSA-N 0 0 285.800 3.284 10 30 CGEERN Cc1ccccc1[C@H](C)NC(=O)NCCCCC#N ZINC000170887523 372676595 /nfs/dbraw/zinc/67/65/95/372676595.db2.gz QFVVXMLAJLSNTA-ZDUSSCGKSA-N 0 0 259.353 3.049 10 30 CGEERN C=CCCCC(=O)N[C@H](C)c1ccc(OC)c(OC)c1 ZINC000175243055 373438508 /nfs/dbraw/zinc/43/85/08/373438508.db2.gz DPBJWPOCWIMDDU-GFCCVEGCSA-N 0 0 277.364 3.237 10 30 CGEERN Cc1nnc(N[C@@H](C)Cc2cccc(F)c2)c(C#N)c1C ZINC000301285321 373730323 /nfs/dbraw/zinc/73/03/23/373730323.db2.gz MJIHFWBWVWGGNY-JTQLQIEISA-N 0 0 284.338 3.147 10 30 CGEERN CCOc1ccc(Nc2ccc([N+](=O)[O-])c(C#N)n2)cc1 ZINC000302723827 373940591 /nfs/dbraw/zinc/94/05/91/373940591.db2.gz MOYBTSATSZHDEW-UHFFFAOYSA-N 0 0 284.275 3.004 10 30 CGEERN CCC[C@]1(COC)CCCN1c1snc(Cl)c1C#N ZINC000302800235 373966695 /nfs/dbraw/zinc/96/66/95/373966695.db2.gz BZNVFPQYAGCRQV-CYBMUJFWSA-N 0 0 299.827 3.454 10 30 CGEERN N#Cc1ccc(NC(=O)[C@@H]2CCCCC2(F)F)cc1F ZINC000308122420 374160967 /nfs/dbraw/zinc/16/09/67/374160967.db2.gz RKYRAJHSLAJGFN-NSHDSACASA-N 0 0 282.265 3.461 10 30 CGEERN N#Cc1cc(C(=O)NC[C@@H]2C[C@H]2C2CCCCC2)ccn1 ZINC000329311676 374403624 /nfs/dbraw/zinc/40/36/24/374403624.db2.gz GGWIBHVAKYAPLW-HOCLYGCPSA-N 0 0 283.375 3.474 10 30 CGEERN CC1(C)CCN(C(=O)N[C@H]2CCC(=O)NC23CCC3)CC1 ZINC000328710246 374377728 /nfs/dbraw/zinc/37/77/28/374377728.db2.gz QZVFGHUVLCDHFN-LBPRGKRZSA-N 0 0 293.411 3.064 10 30 CGEERN C[C@H]1CCC[C@H](Nc2cnn(-c3ncccc3C#N)c2)C1 ZINC000186005167 374783147 /nfs/dbraw/zinc/78/31/47/374783147.db2.gz WAODLZIKMSJHRN-JSGCOSHPSA-N 0 0 281.363 3.130 10 30 CGEERN Cn1cc(CN2CC=C(c3ccccc3F)CC2)cc1C#N ZINC000191501369 375635469 /nfs/dbraw/zinc/63/54/69/375635469.db2.gz AJSRTMYYFXJXMI-UHFFFAOYSA-N 0 0 295.361 3.325 10 30 CGEERN Cc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccccc2C#N)o1 ZINC000193641615 375900032 /nfs/dbraw/zinc/90/00/32/375900032.db2.gz VBSRGXFVVLLUFD-CHWSQXEVSA-N 0 0 297.358 3.138 10 30 CGEERN COc1ccc(-c2cc(C)c([N+](=O)[O-])cc2C#N)cc1 ZINC000216011354 376157669 /nfs/dbraw/zinc/15/76/69/376157669.db2.gz FKAGBHIOAZIIOV-UHFFFAOYSA-N 0 0 268.272 3.451 10 30 CGEERN CCc1ccc(CNc2nc(C)ccc2C#N)cc1 ZINC000231629328 376560784 /nfs/dbraw/zinc/56/07/84/376560784.db2.gz PBVDFILELUPOLA-UHFFFAOYSA-N 0 0 251.333 3.436 10 30 CGEERN Cc1cc(C#N)nc(N[C@@H](C)c2cccc(Cl)c2)n1 ZINC000231898630 376574567 /nfs/dbraw/zinc/57/45/67/376574567.db2.gz MGAIJVLCDUGIQJ-JTQLQIEISA-N 0 0 272.739 3.483 10 30 CGEERN CC[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(C#N)n2)C1 ZINC000234064751 376610541 /nfs/dbraw/zinc/61/05/41/376610541.db2.gz RURDXVRMWXEBBR-QWRGUYRKSA-N 0 0 274.324 3.242 10 30 CGEERN C[C@H](C#N)CN[C@@H]1CCc2c1cccc2Br ZINC000235147355 376632296 /nfs/dbraw/zinc/63/22/96/376632296.db2.gz RYZQMFFCMOJDNX-NOZJJQNGSA-N 0 0 279.181 3.186 10 30 CGEERN CCCCOc1ccc(Br)cc1C=NO ZINC000250121334 377552371 /nfs/dbraw/zinc/55/23/71/377552371.db2.gz WLBXZPRDMVNZQN-UHFFFAOYSA-N 0 0 272.142 3.436 10 30 CGEERN CCOC(=O)Cc1ccc(CC)c(C(F)F)c1C#N ZINC000575389703 377897802 /nfs/dbraw/zinc/89/78/02/377897802.db2.gz KUPDPNKGRQSGGM-UHFFFAOYSA-N 0 0 267.275 3.164 10 30 CGEERN CCOC(=O)c1ccc(C#N)c(SC(F)(F)F)c1O ZINC000575392353 377900207 /nfs/dbraw/zinc/90/02/07/377900207.db2.gz VBPLVZOKKRKMEF-UHFFFAOYSA-N 0 0 291.250 3.052 10 30 CGEERN CCOC(=O)Cc1cc(C#N)cc(C(F)F)c1CC ZINC000575389962 377898393 /nfs/dbraw/zinc/89/83/93/377898393.db2.gz WWNVIIVAWXMWLB-UHFFFAOYSA-N 0 0 267.275 3.164 10 30 CGEERN CCOC(=O)c1cc(CC)cc(C#N)c1C(F)F ZINC000575389955 377898939 /nfs/dbraw/zinc/89/89/39/377898939.db2.gz WMMDTYDTHUSUAO-UHFFFAOYSA-N 0 0 253.248 3.235 10 30 CGEERN CCOC(=O)c1ccc(C#N)c(CC)c1C(F)F ZINC000575389871 377899077 /nfs/dbraw/zinc/89/90/77/377899077.db2.gz SGPYCOFNFIOLEM-UHFFFAOYSA-N 0 0 253.248 3.235 10 30 CGEERN N#CCc1c(N)ccc(C(F)(F)F)c1C(F)(F)F ZINC000575381113 377892404 /nfs/dbraw/zinc/89/24/04/377892404.db2.gz PQQNPWRCXJRSSB-UHFFFAOYSA-N 0 0 268.160 3.372 10 30 CGEERN CCOC(=O)c1c(C#N)ccc(OC(F)F)c1C(F)F ZINC000575385534 377894724 /nfs/dbraw/zinc/89/47/24/377894724.db2.gz YLBFEUVZQYBYCQ-UHFFFAOYSA-N 0 0 291.200 3.274 10 30 CGEERN COC(=O)Cc1cc(C#N)c(C(F)(F)F)c(C(F)F)c1 ZINC000575387377 377895993 /nfs/dbraw/zinc/89/59/93/377895993.db2.gz LMMHJJLGWSXQCC-UHFFFAOYSA-N 0 0 293.191 3.230 10 30 CGEERN N#CCc1cc(C#N)c(OC(F)F)cc1OC(F)(F)F ZINC000575641315 377925209 /nfs/dbraw/zinc/92/52/09/377925209.db2.gz ZGYWDLFWGKDUES-UHFFFAOYSA-N 0 0 292.163 3.124 10 30 CGEERN CCOc1cc(CC#N)c(C#N)c(C(F)(F)F)c1 ZINC000575643331 377926101 /nfs/dbraw/zinc/92/61/01/377926101.db2.gz PNCIDMALRKUAOI-UHFFFAOYSA-N 0 0 254.211 3.042 10 30 CGEERN N#CCc1cc(F)cc(Br)c1OC(F)F ZINC000575681161 377955590 /nfs/dbraw/zinc/95/55/90/377955590.db2.gz ZBIQGJRVBFQQRY-UHFFFAOYSA-N 0 0 280.043 3.256 10 30 CGEERN CCc1cc(CC#N)cc(C#N)c1OC(F)(F)F ZINC000575648280 377927040 /nfs/dbraw/zinc/92/70/40/377927040.db2.gz NNTVWFRPPCNYHR-UHFFFAOYSA-N 0 0 254.211 3.085 10 30 CGEERN CCOc1ccc(OC(F)F)c(CC#N)c1OCC ZINC000575651264 377928789 /nfs/dbraw/zinc/92/87/89/377928789.db2.gz XEWLWNCZEGYVMF-UHFFFAOYSA-N 0 0 271.263 3.151 10 30 CGEERN COc1c(CC#N)cc(C(F)F)cc1OC(F)F ZINC000575652081 377929504 /nfs/dbraw/zinc/92/95/04/377929504.db2.gz KKSQAUDAOURPPV-UHFFFAOYSA-N 0 0 263.190 3.300 10 30 CGEERN N#Cc1cc(F)c(OC(F)F)cc1OC(F)(F)F ZINC000575660786 377937165 /nfs/dbraw/zinc/93/71/65/377937165.db2.gz YBTVAACEYKMSSL-UHFFFAOYSA-N 0 0 271.116 3.197 10 30 CGEERN N#Cc1cc(OC(F)(F)F)cc(OC(F)F)c1F ZINC000575660585 377937396 /nfs/dbraw/zinc/93/73/96/377937396.db2.gz SWBIAVMUEIYIRC-UHFFFAOYSA-N 0 0 271.116 3.197 10 30 CGEERN N#Cc1cc(OC(F)F)c(OC(F)(F)F)cc1F ZINC000575660820 377937402 /nfs/dbraw/zinc/93/74/02/377937402.db2.gz ZPHRXSDVYHHZGR-UHFFFAOYSA-N 0 0 271.116 3.197 10 30 CGEERN Cc1cc(C#N)c(OC(F)F)c(C(F)(F)F)c1 ZINC000575665045 377941918 /nfs/dbraw/zinc/94/19/18/377941918.db2.gz OZAOWUOTCZLJPI-UHFFFAOYSA-N 0 0 251.154 3.487 10 30 CGEERN CCOc1cc(C#N)c(OC(F)(F)F)c(CC)c1 ZINC000575671372 377947273 /nfs/dbraw/zinc/94/72/73/377947273.db2.gz IZIGAXODZRPEPJ-UHFFFAOYSA-N 0 0 259.227 3.418 10 30 CGEERN CCOc1c(C#N)cc(CC)cc1OC(F)(F)F ZINC000575672147 377948805 /nfs/dbraw/zinc/94/88/05/377948805.db2.gz YWPWNCACXCXUFD-UHFFFAOYSA-N 0 0 259.227 3.418 10 30 CGEERN COc1cc(Cl)c(CC#N)c(Br)c1 ZINC000575674372 377949571 /nfs/dbraw/zinc/94/95/71/377949571.db2.gz SGPQDBWJHRQDNG-UHFFFAOYSA-N 0 0 260.518 3.177 10 30 CGEERN N#CCc1c(Cl)c(Br)ccc1[N+](=O)[O-] ZINC000575676174 377950478 /nfs/dbraw/zinc/95/04/78/377950478.db2.gz CAQXAULICQLUBK-UHFFFAOYSA-N 0 0 275.489 3.077 10 30 CGEERN N#Cc1cc(OC(F)F)c(Cl)cc1OC(F)F ZINC000575675216 377950865 /nfs/dbraw/zinc/95/08/65/377950865.db2.gz JFIQXKUJAUKHDV-UHFFFAOYSA-N 0 0 269.581 3.414 10 30 CGEERN N#CCc1ccc(Br)c(Cl)c1[N+](=O)[O-] ZINC000575679113 377952533 /nfs/dbraw/zinc/95/25/33/377952533.db2.gz YUWIBVDJKADFQD-UHFFFAOYSA-N 0 0 275.489 3.077 10 30 CGEERN COC(=O)c1cc(C)c(SC(F)(F)F)c(C#N)c1 ZINC000575394716 377902235 /nfs/dbraw/zinc/90/22/35/377902235.db2.gz MJHXEWQEVUHEOX-UHFFFAOYSA-N 0 0 275.251 3.265 10 30 CGEERN COC(=O)Cc1c(C)cc(SC(F)(F)F)cc1C#N ZINC000575395744 377903977 /nfs/dbraw/zinc/90/39/77/377903977.db2.gz OOWHLLIXGSWSOH-UHFFFAOYSA-N 0 0 289.278 3.194 10 30 CGEERN C=C(Br)CNc1cncc(Cl)c1C ZINC000575488145 377915034 /nfs/dbraw/zinc/91/50/34/377915034.db2.gz JYOCORSTHNASHE-UHFFFAOYSA-N 0 0 261.550 3.364 10 30 CGEERN COc1c(CC#N)cc(Br)cc1OC(F)F ZINC000575683609 377957744 /nfs/dbraw/zinc/95/77/44/377957744.db2.gz PCCZUERSZKQNJL-UHFFFAOYSA-N 0 0 292.079 3.125 10 30 CGEERN N#CCc1c(C(F)F)ccc(Br)c1[N+](=O)[O-] ZINC000575685559 377960448 /nfs/dbraw/zinc/96/04/48/377960448.db2.gz LYYISSJVRJSJGS-UHFFFAOYSA-N 0 0 291.051 3.361 10 30 CGEERN N#Cc1cc(C(F)(F)F)c(Br)cc1F ZINC000575688715 377963976 /nfs/dbraw/zinc/96/39/76/377963976.db2.gz NZXPDWUPGAOTTQ-UHFFFAOYSA-N 0 0 268.007 3.479 10 30 CGEERN CCc1cc(C)c(I)c(CC#N)c1 ZINC000575706716 377979669 /nfs/dbraw/zinc/97/96/69/377979669.db2.gz WOPNBDYRFBPNKT-UHFFFAOYSA-N 0 0 285.128 3.228 10 30 CGEERN N#Cc1ccc(CN2CC[C@@H](O)c3ccccc3C2)c(F)c1 ZINC000373124033 379226492 /nfs/dbraw/zinc/22/64/92/379226492.db2.gz JWQJXBRSUUHNMO-GOSISDBHSA-N 0 0 296.345 3.137 10 30 CGEERN Cc1nccc(NC(=O)[C@@H]2C[C@@]23CCOc2ccccc23)n1 ZINC000329642441 542447474 /nfs/dbraw/zinc/44/74/74/542447474.db2.gz CVIIHPUSRYSCTR-SUMWQHHRSA-N 0 0 295.342 3.113 10 30 CGEERN O=C(NC[C@H]1CCCC(F)(F)C1)[C@@H]1CCCC(=O)N1 ZINC000328660637 542444380 /nfs/dbraw/zinc/44/43/80/542444380.db2.gz VSAOUYQJPHFYIW-UWVGGRQHSA-N 0 0 274.311 3.277 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)N1CCCC2(CCCCC2)C1 ZINC000332898956 542450944 /nfs/dbraw/zinc/45/09/44/542450944.db2.gz MUBIMQDOIAIGGY-CABCVRRESA-N 0 0 289.423 3.435 10 30 CGEERN C=C(C)[C@@H]1CC=C(C)/C(=N/n2c(C)cc(C)c(C#N)c2=O)C1 ZINC000000584576 169673037 /nfs/dbraw/zinc/67/30/37/169673037.db2.gz MGZJYQBDWHEUCW-XZOUCZQKSA-N 0 0 295.386 3.473 10 30 CGEERN O=C(OCc1ccccc1)N1CCC2(CC(CS)C2)C1 ZINC000095078994 184936466 /nfs/dbraw/zinc/93/64/66/184936466.db2.gz KAFOQOFUXUROGU-UHFFFAOYSA-N 0 0 291.416 3.355 10 30 CGEERN Cc1ccc([C@H]2CN(Cc3ccccc3C#N)CCO2)o1 ZINC000158690569 392574343 /nfs/dbraw/zinc/57/43/43/392574343.db2.gz ATTJTHYZJDUYLB-QGZVFWFLSA-N 0 0 282.343 3.033 10 30 CGEERN CCc1ocnc1C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000329529231 392685539 /nfs/dbraw/zinc/68/55/39/392685539.db2.gz VAGXZIKEEZVWSA-UHFFFAOYSA-N 0 0 274.364 3.366 10 30 CGEERN CC(C)(C)COc1ncc(Br)cc1C#N ZINC000211561340 392985009 /nfs/dbraw/zinc/98/50/09/392985009.db2.gz LIKCMVDZLMXPBV-UHFFFAOYSA-N 0 0 269.142 3.141 10 30 CGEERN CC(C)[C@@H](Nc1ccc(C#N)nn1)c1ccc(F)cc1F ZINC000301967806 397675577 /nfs/dbraw/zinc/67/55/77/397675577.db2.gz OYCUPLHNGFYAFZ-OAHLLOKOSA-N 0 0 288.301 3.436 10 30 CGEERN CC(C)(C)OC(=O)C#Cc1ccc(Br)cc1F ZINC000675077405 543313246 /nfs/dbraw/zinc/31/32/46/543313246.db2.gz DQXLEHDONKBSHE-UHFFFAOYSA-N 0 0 299.139 3.281 10 30 CGEERN COc1ccc2c(c1)[C@H](S)C[C@H](C(F)(F)F)O2 ZINC000043464975 286429869 /nfs/dbraw/zinc/42/98/69/286429869.db2.gz NFGXMCIWTUDCLO-NXEZZACHSA-N 0 0 264.268 3.380 10 30 CGEERN C[C@H](Sc1ccccn1)C(=O)Nc1ccc(C#N)cc1 ZINC000004835332 170026513 /nfs/dbraw/zinc/02/65/13/170026513.db2.gz SHGNDCHTYJPDPH-NSHDSACASA-N 0 0 283.356 3.073 10 30 CGEERN O=[N+]([O-])c1ccc(C=NN=c2ccc3ccccc3[nH]2)o1 ZINC000004868692 170033903 /nfs/dbraw/zinc/03/39/03/170033903.db2.gz YMAWRGRFOMALBY-OQLLNIDSSA-N 0 0 282.259 3.182 10 30 CGEERN COc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000005358609 170089242 /nfs/dbraw/zinc/08/92/42/170089242.db2.gz SWTXCGWNXFUCTH-QPJJXVBHSA-N 0 0 273.244 3.093 10 30 CGEERN O=C(C=CN=c1[nH]c2ccccc2s1)C(F)(F)F ZINC000006244193 170185304 /nfs/dbraw/zinc/18/53/04/170185304.db2.gz NUIGWILOHUTSJS-WAYWQWQTSA-N 0 0 272.251 3.353 10 30 CGEERN C(=NNc1nnc(SCc2ccccc2)[nH]1)c1ccco1 ZINC000006339667 170193965 /nfs/dbraw/zinc/19/39/65/170193965.db2.gz LARYABUSISGQLA-OQLLNIDSSA-N 0 0 299.359 3.136 10 30 CGEERN COC(=O)c1ccc(C=NNc2ccc(F)cc2)cc1 ZINC000006675013 170225525 /nfs/dbraw/zinc/22/55/25/170225525.db2.gz AGQXIJFPWLYFOH-LICLKQGHSA-N 0 0 272.279 3.058 10 30 CGEERN O=C(/C=C/c1cccc(O)c1)c1nc2ccccc2[nH]1 ZINC000007135753 170268698 /nfs/dbraw/zinc/26/86/98/170268698.db2.gz JXAPWLUFYXIBOU-CMDGGOBGSA-N 0 0 264.284 3.165 10 30 CGEERN CSc1ccc(CN(C)c2ncccc2C#N)cc1 ZINC000012816099 170512614 /nfs/dbraw/zinc/51/26/14/170512614.db2.gz MBSNSVMWDMMIQK-UHFFFAOYSA-N 0 0 269.373 3.312 10 30 CGEERN Cc1cccc(CO/N=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000014217296 170625372 /nfs/dbraw/zinc/62/53/72/170625372.db2.gz PYPJMVXESPFDPF-MHWRWJLKSA-N 0 0 270.288 3.454 10 30 CGEERN N/C(=N\O)c1ccc(OCc2ccccc2Cl)cc1 ZINC000019514436 170822070 /nfs/dbraw/zinc/82/20/70/170822070.db2.gz GUWFMPIKHJLCMD-UHFFFAOYSA-N 0 0 276.723 3.014 10 30 CGEERN COc1ccc(Cl)cc1Nc1ccc(C#N)cn1 ZINC000019804459 170873842 /nfs/dbraw/zinc/87/38/42/170873842.db2.gz VPERDHOJLFMXPR-UHFFFAOYSA-N 0 0 259.696 3.359 10 30 CGEERN CC[C@H]1CCCC[C@@H]1Oc1ccc(/C(N)=N/O)cc1 ZINC000019866177 170899784 /nfs/dbraw/zinc/89/97/84/170899784.db2.gz GYCXOBNZOMIBFS-FZMZJTMJSA-N 0 0 262.353 3.129 10 30 CGEERN CC1=CC(=O)C(C(C)C)=C/C1=N\OC(=O)c1cccs1 ZINC000019894570 170910492 /nfs/dbraw/zinc/91/04/92/170910492.db2.gz CCGHAPHMHOWYSV-FOWTUZBSSA-N 0 0 289.356 3.372 10 30 CGEERN CCCN[C@H](C#N)c1cccc(Br)c1 ZINC000020176138 171042319 /nfs/dbraw/zinc/04/23/19/171042319.db2.gz YRZXKAQANBEJML-LLVKDONJSA-N 0 0 253.143 3.013 10 30 CGEERN C=C(C)CN(CC)c1nc2ccccc2cc1CO ZINC000020468229 171210054 /nfs/dbraw/zinc/21/00/54/171210054.db2.gz INHDQKJELRXNDT-UHFFFAOYSA-N 0 0 256.349 3.130 10 30 CGEERN N#Cc1c(-c2ccccc2)nc(N)nc1-c1ccccc1 ZINC000029063803 171584823 /nfs/dbraw/zinc/58/48/23/171584823.db2.gz JMXZSEAMWCKILY-UHFFFAOYSA-N 0 0 272.311 3.264 10 30 in-vivo CGEERN COc1ccc(/C=C\C(=O)c2cccc(N)c2)cc1 ZINC000033396494 171789789 /nfs/dbraw/zinc/78/97/89/171789789.db2.gz COINOJZSRNQJPT-YFHOEESVSA-N 0 0 253.301 3.174 10 30 CGEERN Cc1csc(N=NC(C)c2ccc(Cl)cc2)n1 ZINC000034828136 171880195 /nfs/dbraw/zinc/88/01/95/171880195.db2.gz YOIFLPQBMXPFNP-DHDCSXOGSA-N 0 0 265.769 3.363 10 30 CGEERN N#Cc1ccc(NCc2ccc(Cl)cc2)c(N)c1 ZINC000035674279 172345094 /nfs/dbraw/zinc/34/50/94/172345094.db2.gz OAZMZYOTBGWLQC-UHFFFAOYSA-N 0 0 257.724 3.406 10 30 CGEERN N#CC1(S(=O)(=O)c2ccccc2F)CCCCCC1 ZINC000035676705 172347438 /nfs/dbraw/zinc/34/74/38/172347438.db2.gz XYAPXFBPIMQIIT-UHFFFAOYSA-N 0 0 281.352 3.216 10 30 CGEERN CC[C@H](C)Sc1c(/C(N)=N/O)cnc2ccccc21 ZINC000036914313 172800928 /nfs/dbraw/zinc/80/09/28/172800928.db2.gz WYTREOSNYVRJDT-VIFPVBQESA-N 0 0 275.377 3.220 10 30 CGEERN CC[C@H](C)N[C@@H](C#N)c1cc(Br)ccc1OC ZINC000038064435 174075413 /nfs/dbraw/zinc/07/54/13/174075413.db2.gz ZKDFROQMPVBMGA-CABZTGNLSA-N 0 0 297.196 3.410 10 30 CGEERN N#C[C@@H](NC(=O)CCc1ccccc1)c1ccccc1 ZINC000040215149 174204554 /nfs/dbraw/zinc/20/45/54/174204554.db2.gz LVDVXWGIQSOAOL-MRXNPFEDSA-N 0 0 264.328 3.000 10 30 CGEERN N#CC1(NC(=O)CC(F)(F)F)CCCCCCC1 ZINC000040222161 174207344 /nfs/dbraw/zinc/20/73/44/174207344.db2.gz CYMDGCIXTIMYPJ-UHFFFAOYSA-N 0 0 262.275 3.062 10 30 CGEERN CC(C)CN(CCC#N)c1ccc(Br)cn1 ZINC000043419798 175038912 /nfs/dbraw/zinc/03/89/12/175038912.db2.gz ZORSLWLQUGAPPK-UHFFFAOYSA-N 0 0 282.185 3.220 10 30 CGEERN C=C[C@](O)(c1ccc(Br)cc1)c1cccnc1 ZINC000044710392 175235692 /nfs/dbraw/zinc/23/56/92/175235692.db2.gz MPZIBGBODUJREE-AWEZNQCLSA-N 0 0 290.160 3.266 10 30 CGEERN Cc1csc(SCc2ccccc2C#CCO)n1 ZINC000049623064 175495773 /nfs/dbraw/zinc/49/57/73/175495773.db2.gz KBUZRMQLLBFJFB-UHFFFAOYSA-N 0 0 275.398 3.088 10 30 CGEERN CCO[C@@]1(C#N)C=CC(/N=C/c2ccccc2)=CC1 ZINC000071791697 176263620 /nfs/dbraw/zinc/26/36/20/176263620.db2.gz VTRLAFZROKKXDX-IQFISFIMSA-N 0 0 252.317 3.248 10 30 CGEERN Cc1ncc(NC(=O)[C@H]2C[C@]23CCOc2ccccc23)cn1 ZINC000329719990 227913631 /nfs/dbraw/zinc/91/36/31/227913631.db2.gz MQPSNDRALLEZJX-PBHICJAKSA-N 0 0 295.342 3.113 10 30 CGEERN N#CC1CCC(CNc2cnc3c(n2)CCCC3)CC1 ZINC000333576154 228205371 /nfs/dbraw/zinc/20/53/71/228205371.db2.gz SSOJEYFQHQDEQZ-UHFFFAOYSA-N 0 0 270.380 3.097 10 30 CGEERN Cc1oc(-c2ccsc2)nc1CN[C@@H]1CCC[C@@H]1C#N ZINC000333631082 228207450 /nfs/dbraw/zinc/20/74/50/228207450.db2.gz QYMGBXGMJUPGAJ-DGCLKSJQSA-N 0 0 287.388 3.493 10 30 CGEERN Cc1nn(C)cc1[C@H](C)NC(=O)C[C@H]1CCCCC(=O)N1 ZINC000328676783 263840818 /nfs/dbraw/zinc/84/08/18/263840818.db2.gz RWDNHDJIGIVEHF-CMPLNLGQSA-N 0 0 292.383 3.035 10 30 CGEERN N#Cc1nc(NCc2ccc(Cl)s2)ccc1[N+](=O)[O-] ZINC000236067297 268324837 /nfs/dbraw/zinc/32/48/37/268324837.db2.gz FFUZLSBTHWWCDQ-UHFFFAOYSA-N 0 0 294.723 3.188 10 30 CGEERN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)NCc1ccc(C#N)cc1 ZINC000246469638 287707575 /nfs/dbraw/zinc/70/75/75/287707575.db2.gz PZIDMHPQEAXGIN-KBRIMQKVSA-N 0 0 297.402 3.421 10 30 CGEERN COc1ccc2c(c1)[C@H](S)C[C@@H](C(F)(F)F)O2 ZINC000043464977 277446964 /nfs/dbraw/zinc/44/69/64/277446964.db2.gz NFGXMCIWTUDCLO-ZJUUUORDSA-N 0 0 264.268 3.380 10 30 CGEERN C/C=C/C(=O)C1=C(C)C[C@@H](OC(C)=O)CC1(C)C ZINC000095761160 277740606 /nfs/dbraw/zinc/74/06/06/277740606.db2.gz DXCWYEWUFIWPQN-NNNHXZLVSA-N 0 0 250.338 3.200 10 30 CGEERN N#Cc1c(N)sc2cc(Br)ccc12 ZINC000051943560 279496951 /nfs/dbraw/zinc/49/69/51/279496951.db2.gz CPNMGXVAAZYILC-UHFFFAOYSA-N 0 0 253.124 3.118 10 30 CGEERN Cc1c(C#N)cccc1NC(=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000178383336 280203440 /nfs/dbraw/zinc/20/34/40/280203440.db2.gz CABPGVMENAVDFP-YVEFUNNKSA-N 0 0 292.338 3.370 10 30 CGEERN Cc1csc([C@@H]2CCCN(c3ccc(C)c(C#N)n3)C2)n1 ZINC000302613433 281738724 /nfs/dbraw/zinc/73/87/24/281738724.db2.gz FLZCRTQINUVGFU-CYBMUJFWSA-N 0 0 298.415 3.411 10 30 CGEERN Cc1nc(N2CCCC[C@H]2c2nccs2)ccc1C#N ZINC000291634131 293294758 /nfs/dbraw/zinc/29/47/58/293294758.db2.gz LQXBAWVDHPYTEI-ZDUSSCGKSA-N 0 0 284.388 3.450 10 30 CGEERN CCc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/O)o1 ZINC000253560022 328115807 /nfs/dbraw/zinc/11/58/07/328115807.db2.gz AHAVXYJGHMKASA-RIYZIHGNSA-N 0 0 260.249 3.225 10 30 CGEERN COc1ccc(/C=N/O)cc1OCc1cccc(F)c1 ZINC000253576824 328115942 /nfs/dbraw/zinc/11/59/42/328115942.db2.gz WHZNMIQKFOYHHY-RQZCQDPDSA-N 0 0 275.279 3.221 10 30 CGEERN CCC[C@H](NCc1cccc(C#N)c1)C(=O)OC(C)(C)C ZINC000156587668 321783894 /nfs/dbraw/zinc/78/38/94/321783894.db2.gz YVUQJKMNMAANLC-HNNXBMFYSA-N 0 0 288.391 3.158 10 30 CGEERN N#Cc1cc(F)c(N2C[C@@H]3CCC[C@H]32)cc1Br ZINC000569707843 322255174 /nfs/dbraw/zinc/25/51/74/322255174.db2.gz CKHFXSJZFYAIBA-QPUJVOFHSA-N 0 0 295.155 3.449 10 30 CGEERN C=C(C)COc1cccc(NC(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000076037323 328485426 /nfs/dbraw/zinc/48/54/26/328485426.db2.gz UTQARGFTGWMYHT-SMDDNHRTSA-N 0 0 260.337 3.171 10 30 CGEERN C#CCC(C)(C)C(=O)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000185703774 329330232 /nfs/dbraw/zinc/33/02/32/329330232.db2.gz AIWCPNAEWMOMCN-CYBMUJFWSA-N 0 0 290.432 3.207 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1c(Cl)cccc1Cl ZINC000061888989 329681436 /nfs/dbraw/zinc/68/14/36/329681436.db2.gz OIHYOLQKWAWKKW-GZMMTYOYSA-N 0 0 283.158 3.415 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1cccc(Cl)c1Cl ZINC000061888660 329681479 /nfs/dbraw/zinc/68/14/79/329681479.db2.gz PVVQNWBWRVUOMC-KCJUWKMLSA-N 0 0 283.158 3.415 10 30 CGEERN C=CCN(CC=C)C(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000246370639 329842257 /nfs/dbraw/zinc/84/22/57/329842257.db2.gz NYFUGUTVNSXVCG-GVDBMIGSSA-N 0 0 282.387 3.098 10 30 CGEERN C=CCOc1ccc(CN[C@@H](C)c2ncc(C)o2)cc1 ZINC000227556488 333285798 /nfs/dbraw/zinc/28/57/98/333285798.db2.gz VTUZHPPEYQRTNI-ZDUSSCGKSA-N 0 0 272.348 3.399 10 30 CGEERN C=C(C)C[C@H](C)C(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000185561077 518631669 /nfs/dbraw/zinc/63/16/69/518631669.db2.gz UDYUMVLRVSGEGL-JSGCOSHPSA-N 0 0 261.369 3.066 10 30 CGEERN C=CCc1cc(OC)ccc1OC(=O)[C@H]1CCCO[C@@H]1C ZINC000192193662 534419163 /nfs/dbraw/zinc/41/91/63/534419163.db2.gz CSJXLPFZVFBZTN-DOMZBBRYSA-N 0 0 290.359 3.144 10 30 CGEERN CC(C)CSCc1ccc(C#CCCO)cc1F ZINC000049623129 519769601 /nfs/dbraw/zinc/76/96/01/519769601.db2.gz RMNPNAPTWDRVHJ-UHFFFAOYSA-N 0 0 266.381 3.449 10 30 CGEERN CCCCCCCNS(=O)(=O)c1ccc(CC)cc1 ZINC000103015882 520060221 /nfs/dbraw/zinc/06/02/21/520060221.db2.gz KWLKJUDGOIONRC-UHFFFAOYSA-N 0 0 283.437 3.498 10 30 CGEERN CCN[C@H](C#N)CCSc1ccc2c(c1)CCC2 ZINC000062456215 520162081 /nfs/dbraw/zinc/16/20/81/520162081.db2.gz KFOVFWUNUJGBBB-AWEZNQCLSA-N 0 0 260.406 3.159 10 30 CGEERN CC1(C)CCN(c2ccc(Cl)cc2/C(N)=N/O)CC1 ZINC000061820195 520384022 /nfs/dbraw/zinc/38/40/22/520384022.db2.gz KYAIHKBRRYYQOX-UHFFFAOYSA-N 0 0 281.787 3.061 10 30 CGEERN CCCCOCCNc1ccc(C#N)cc1Cl ZINC000062791020 520784527 /nfs/dbraw/zinc/78/45/27/520784527.db2.gz GDTIVPNCKGNKPV-UHFFFAOYSA-N 0 0 252.745 3.440 10 30 CGEERN CCCCOCCOc1cccc(/C(C)=N/O)c1 ZINC000049262492 520793766 /nfs/dbraw/zinc/79/37/66/520793766.db2.gz UJOKAHSASZKMII-NTCAYCPXSA-N 0 0 251.326 3.080 10 30 CGEERN CCN(c1cccc(Cl)c1/C(N)=N/O)C1CCCC1 ZINC000052904357 521496688 /nfs/dbraw/zinc/49/66/88/521496688.db2.gz ZMFFTLAOODCDQF-UHFFFAOYSA-N 0 0 281.787 3.203 10 30 CGEERN Cc1ccc(COc2ccc(C#N)cc2[N+](=O)[O-])cc1 ZINC000049373761 524629634 /nfs/dbraw/zinc/62/96/34/524629634.db2.gz SKJUNDNUYQDKAG-UHFFFAOYSA-N 0 0 268.272 3.354 10 30 CGEERN Cc1cc(NCc2ccc(C#N)cc2)c(C#N)c(C)n1 ZINC000156837627 525279148 /nfs/dbraw/zinc/27/91/48/525279148.db2.gz WFZJCCWSRYBKHZ-UHFFFAOYSA-N 0 0 262.316 3.054 10 30 CGEERN CC(C)Oc1ncccc1NC(=O)N1CC[C@H]2CCC[C@H]21 ZINC000330257771 528279958 /nfs/dbraw/zinc/27/99/58/528279958.db2.gz QXDNIVBKYIWDDQ-TZMCWYRMSA-N 0 0 289.379 3.289 10 30 CGEERN CC1(C)CCC[C@@H]1CNC(=O)[C@@H]1CCCC(=O)N1 ZINC000329262399 528962768 /nfs/dbraw/zinc/96/27/68/528962768.db2.gz BKADICBVZCFQRQ-MNOVXSKESA-N 0 0 252.358 3.278 10 30 CGEERN Cc1nc(C#N)cc(N[C@H]2CCCc3ccccc32)n1 ZINC000308333708 618210263 /nfs/dbraw/zinc/21/02/63/618210263.db2.gz MKAXHXUKJTWAOJ-HNNXBMFYSA-N 0 0 264.332 3.146 10 30 CGEERN C[C@H](OC(=O)C(C)(C)Oc1ccc(C#N)cc1)C1CCC1 ZINC000178219707 618243536 /nfs/dbraw/zinc/24/35/36/618243536.db2.gz LDGBAVCUKRUCFV-LBPRGKRZSA-N 0 0 287.359 3.447 10 30 CGEERN CC(=O)C1CCN(c2cccc(Cl)c2C#N)CC1 ZINC000104424409 620328725 /nfs/dbraw/zinc/32/87/25/620328725.db2.gz BPZANQNLQJJKAU-UHFFFAOYSA-N 0 0 262.740 3.017 10 30 CGEERN C#CCC(C)(C)C(=O)N[C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000186027275 625506324 /nfs/dbraw/zinc/50/63/24/625506324.db2.gz ZFZJLJQGAFHTAL-CJNGLKHVSA-N 0 0 269.388 3.394 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1cc2ccccc2c(Cl)n1 ZINC000061890292 623186376 /nfs/dbraw/zinc/18/63/76/623186376.db2.gz JJJSXFNGCUJBKK-WCQYABFASA-N 0 0 299.761 3.310 10 30 CGEERN C#CCCCNC(=O)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000172943764 623298172 /nfs/dbraw/zinc/29/81/72/623298172.db2.gz PTFALCFPRVVVJB-DLBZAZTESA-N 0 0 269.388 3.443 10 30 CGEERN C=C(C)COC(=O)[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000174021627 623354402 /nfs/dbraw/zinc/35/44/02/623354402.db2.gz NHSUPOHWFIXASE-OLZOCXBDSA-N 0 0 297.395 3.189 10 30 CGEERN C[C@H](O)c1nc2ccccc2n1Cc1ccccc1C#N ZINC000076080686 625038791 /nfs/dbraw/zinc/03/87/91/625038791.db2.gz JHBPSBKYLMSGSE-LBPRGKRZSA-N 0 0 277.327 3.010 10 30 CGEERN C#CC[C@@H](OC(=O)c1ccc(F)c(F)c1)c1ccccn1 ZINC000105549131 635920505 /nfs/dbraw/zinc/92/05/05/635920505.db2.gz HJURIVPPLATLFL-OAHLLOKOSA-N 0 0 287.265 3.281 10 30 CGEERN COc1cccc([C@@H]2C[C@@H]2C(=O)[C@@H](C#N)c2ccccn2)c1 ZINC000106983712 636401941 /nfs/dbraw/zinc/40/19/41/636401941.db2.gz SBTKHZLHZWIZSK-JYJNAYRXSA-N 0 0 292.338 3.070 10 30 CGEERN CCC1CC(=O)C(=CN[C@H](C)c2ccccc2C)C(=O)C1 ZINC000194961745 640561657 /nfs/dbraw/zinc/56/16/57/640561657.db2.gz RWPOIHMJHIUGBE-KWCCSABGSA-N 0 0 285.387 3.488 10 30 CGEERN CC/C=C\COC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000588391065 799685877 /nfs/dbraw/zinc/68/58/77/799685877.db2.gz IAMRYKQYNWWLAP-ARJAWSKDSA-N 0 0 255.317 3.365 10 30 CGEERN C#CC[C@@H](OC(=O)/C=C\c1cccnc1)C(C)(C)C ZINC000588540019 799709462 /nfs/dbraw/zinc/70/94/62/799709462.db2.gz DEOKVYNLLOXHMG-CFYYFVFUSA-N 0 0 257.333 3.076 10 30 CGEERN C=C[C@](C)(CCOC)COC(=O)/C=C\c1ccco1 ZINC000588551882 799710783 /nfs/dbraw/zinc/71/07/83/799710783.db2.gz CASZRDWQWBUTNY-ZPIQOJFGSA-N 0 0 264.321 3.065 10 30 CGEERN Cn1c(=O)sc2cc(/C=C\C(=O)c3ccco3)ccc21 ZINC000588598762 799719897 /nfs/dbraw/zinc/71/98/97/799719897.db2.gz ABKXUTLCYHUVES-ALCCZGGFSA-N 0 0 285.324 3.089 10 30 CGEERN Cc1nc(CON=C2CCCOCC2)nc2ccccc12 ZINC000588600231 799720194 /nfs/dbraw/zinc/72/01/94/799720194.db2.gz OIWZCDUVVWQOEX-UHFFFAOYSA-N 0 0 285.347 3.011 10 30 CGEERN C=CCC1([NH2+]Cc2cc(C(=O)[O-])c(C)o2)CCCC1 ZINC000690753894 976331639 /nfs/dbraw/zinc/33/16/39/976331639.db2.gz HMJKOWDQRYXVNH-UHFFFAOYSA-N 0 0 263.337 3.265 10 30 CGEERN CC1(C)CC(Br)=C1C(=O)C(F)(F)F ZINC000083235825 178363810 /nfs/dbraw/zinc/36/38/10/178363810.db2.gz CVQHCLUPFINHMJ-UHFFFAOYSA-N 0 0 257.049 3.197 10 30 CGEERN C[C@H](CC#N)Nc1ccccc1I ZINC000037871350 344953272 /nfs/dbraw/zinc/95/32/72/344953272.db2.gz WJKWPSDVGHSABV-MRVPVSSYSA-N 0 0 286.116 3.005 10 30 CGEERN N#C[C@@]1(NCc2ccccc2)CCc2ccccc2C1 ZINC000037939494 344954032 /nfs/dbraw/zinc/95/40/32/344954032.db2.gz YTFVFOLXQYYCGJ-GOSISDBHSA-N 0 0 262.356 3.227 10 30 CGEERN N#CCCNc1ccc(Br)cc1Cl ZINC000037388635 344949993 /nfs/dbraw/zinc/94/99/93/344949993.db2.gz GOCBNVZAOFJIBO-UHFFFAOYSA-N 0 0 259.534 3.428 10 30 CGEERN CC[C@@H](C#N)Nc1cccc(I)c1 ZINC000043539600 344999928 /nfs/dbraw/zinc/99/99/28/344999928.db2.gz JUARWVMNKJYHCB-VIFPVBQESA-N 0 0 286.116 3.005 10 30 CGEERN CCc1nnc(N[C@@H](C)c2ccco2)c(C#N)c1CC ZINC000124905251 232188798 /nfs/dbraw/zinc/18/87/98/232188798.db2.gz RTIBBHMBJCWWRH-JTQLQIEISA-N 0 0 270.336 3.239 10 30 CGEERN CC(C)(C)OC(=O)n1ccc2cc(OC[C@H]3CO3)ccc21 ZINC000070453500 345391352 /nfs/dbraw/zinc/39/13/52/345391352.db2.gz DMWYQPVYJHIKMG-ZDUSSCGKSA-N 0 0 289.331 3.202 10 30 CGEERN CC(C)CCO[C@H]1CCN(c2cccc(F)c2C#N)C1 ZINC000081017014 345695698 /nfs/dbraw/zinc/69/56/98/345695698.db2.gz MWFKRTIYMSIBSW-ZDUSSCGKSA-N 0 0 276.355 3.339 10 30 CGEERN CCOC(=O)CC[C@@H](C)Nc1cc(C#N)nc2ccccc21 ZINC000089656913 345772947 /nfs/dbraw/zinc/77/29/47/345772947.db2.gz RJSSILMHFPVZGA-GFCCVEGCSA-N 0 0 297.358 3.250 10 30 CGEERN N#Cc1c(F)cccc1N[C@H](CO)c1ccc(Cl)cc1 ZINC000092961146 345865021 /nfs/dbraw/zinc/86/50/21/345865021.db2.gz UBYSLBUQWBPCQH-OAHLLOKOSA-N 0 0 290.725 3.496 10 30 CGEERN N#C[C@H]1CCCc2cc(S(=O)(=O)c3ccccc3)ccc21 ZINC000113554231 345961030 /nfs/dbraw/zinc/96/10/30/345961030.db2.gz ABDPKROISPVFOS-CQSZACIVSA-N 0 0 297.379 3.463 10 30 CGEERN C#CC[C@@H](O)c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000136980813 346092346 /nfs/dbraw/zinc/09/23/46/346092346.db2.gz ADCNDCLYAIOJGQ-CYBMUJFWSA-N 0 0 261.321 3.090 10 30 CGEERN C[C@@H](O)C#Cc1ccc(Cc2ccc(F)cc2)s1 ZINC000138755999 346097794 /nfs/dbraw/zinc/09/77/94/346097794.db2.gz QBVRHSKZOZYWLO-LLVKDONJSA-N 0 0 260.333 3.210 10 30 CGEERN N#C[C@@H](c1ccccc1)[C@H]1CCCC2(C1)OCCO2 ZINC000143113511 346112596 /nfs/dbraw/zinc/11/25/96/346112596.db2.gz JKNBSSKXDZJTEO-GJZGRUSLSA-N 0 0 257.333 3.227 10 30 CGEERN C=C(C)[C@@H](NN)c1cc(Br)ccc1Cl ZINC000158803419 346165603 /nfs/dbraw/zinc/16/56/03/346165603.db2.gz PXWZXTBZARFAGG-SNVBAGLBSA-N 0 0 275.577 3.183 10 30 CGEERN CC#CCCC(=O)c1cccc(Br)c1 ZINC000160904862 346172905 /nfs/dbraw/zinc/17/29/05/346172905.db2.gz GUBXLKAIEVKATD-UHFFFAOYSA-N 0 0 251.123 3.435 10 30 CGEERN C=C[C@]1(C)CC(=O)O[C@H](COCc2ccccc2)C1 ZINC000197163982 346277245 /nfs/dbraw/zinc/27/72/45/346277245.db2.gz BJLTUDZBDSRQPV-HOCLYGCPSA-N 0 0 260.333 3.101 10 30 CGEERN C#C[C@@H](C)Nc1cc(Br)c(F)cc1F ZINC000228188557 346314180 /nfs/dbraw/zinc/31/41/80/346314180.db2.gz YIGYZGSJKOJMJP-ZCFIWIBFSA-N 0 0 260.081 3.161 10 30 CGEERN CC#CCCC(=O)c1ccc(I)cc1 ZINC000228676107 346315543 /nfs/dbraw/zinc/31/55/43/346315543.db2.gz SDJMRBXHHUIUTP-UHFFFAOYSA-N 0 0 298.123 3.277 10 30 CGEERN Cc1c(CN[C@H]2CCCC[C@@H]2C#N)cccc1[N+](=O)[O-] ZINC000231885361 346323861 /nfs/dbraw/zinc/32/38/61/346323861.db2.gz LFJKTVOTPNIMRI-OCCSQVGLSA-N 0 0 273.336 3.075 10 30 CGEERN N#CCc1cccc(I)c1Cl ZINC000238562113 346349623 /nfs/dbraw/zinc/34/96/23/346349623.db2.gz LESUIQIBBKQXAD-UHFFFAOYSA-N 0 0 277.492 3.011 10 30 CGEERN N#CCc1c(Br)cccc1OC(F)F ZINC000238528590 346349780 /nfs/dbraw/zinc/34/97/80/346349780.db2.gz ISIUDWIHDYBLCL-UHFFFAOYSA-N 0 0 262.053 3.117 10 30 CGEERN C#CCCC(=O)Nc1cccc(C)c1Br ZINC000235772987 346337193 /nfs/dbraw/zinc/33/71/93/346337193.db2.gz MKNXYLYTFIRESG-UHFFFAOYSA-N 0 0 266.138 3.109 10 30 CGEERN C=CCC(=O)Nc1cnc(Cl)c(Br)c1 ZINC000236055009 346339296 /nfs/dbraw/zinc/33/92/96/346339296.db2.gz CRANXYJUXZQGRN-UHFFFAOYSA-N 0 0 275.533 3.012 10 30 CGEERN O=[N+]([O-])c1ccc(C=Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000256243064 346399640 /nfs/dbraw/zinc/39/96/40/346399640.db2.gz DMOOLFPEWSJQAV-UHFFFAOYSA-N 0 0 271.232 3.254 10 30 CGEERN C=C(C)C(=O)OCCOC1=C[C@@H]2C[C@H]1[C@@H]1CCC[C@H]21 ZINC000100051340 185703151 /nfs/dbraw/zinc/70/31/51/185703151.db2.gz BSORNSOZDOIQPU-DGAVXFQQSA-N 0 0 262.349 3.072 10 30 CGEERN CC[C@@](C)(C#N)[C@H](O)c1cscc1Br ZINC000306156877 346451300 /nfs/dbraw/zinc/45/13/00/346451300.db2.gz LKDKHAXYDVSKNQ-ZJUUUORDSA-N 0 0 274.183 3.484 10 30 CGEERN N#Cc1cc(N)c(C(F)(F)F)cc1C(F)(F)F ZINC000514264291 346636303 /nfs/dbraw/zinc/63/63/03/346636303.db2.gz MGEGIUFILOMBEX-UHFFFAOYSA-N 0 0 254.133 3.178 10 30 CGEERN N#C[C@@H](c1cc(F)cc(F)c1)[C@@H](CCO)c1cncs1 ZINC000584639292 346702139 /nfs/dbraw/zinc/70/21/39/346702139.db2.gz MERULVMTIVWZPZ-OLZOCXBDSA-N 0 0 294.326 3.195 10 30 CGEERN CCCCCCCC[N@@H+]1CCN2C(=O)N(CC)CC[C@@H]2C1 ZINC000584640022 346702385 /nfs/dbraw/zinc/70/23/85/346702385.db2.gz CMZVBDIZJOBXPR-MRXNPFEDSA-N 0 0 295.471 3.179 10 30 CGEERN N#CCC[C@H]1CCN1c1ccc(N2CC[C@@H]2CCC#N)cc1 ZINC000584643048 346702704 /nfs/dbraw/zinc/70/27/04/346702704.db2.gz KYNNRGHUAKMCQS-HOTGVXAUSA-N 0 0 294.402 3.452 10 30 CGEERN CN(C)/C=C1\C(=O)CC[C@@H]1c1ccc(C#N)c(Cl)c1 ZINC000584644554 346703436 /nfs/dbraw/zinc/70/34/36/346703436.db2.gz AQOBFGXDKUYRON-FNWMBBJUSA-N 0 0 274.751 3.104 10 30 CGEERN COc1ccc([C@@H](O)c2c(F)cc(C#N)cc2F)c(F)c1 ZINC000584659979 346705615 /nfs/dbraw/zinc/70/56/15/346705615.db2.gz LICOEQXZIUTYET-OAHLLOKOSA-N 0 0 293.244 3.066 10 30 CGEERN COc1ccc2c(c1)[C@H](C=O)c1ccc(OC)c(OC)c1-2 ZINC000584590406 346685905 /nfs/dbraw/zinc/68/59/05/346685905.db2.gz GTSFXJLBBPRTJS-CQSZACIVSA-N 0 0 284.311 3.024 10 30 CGEERN CCC[C@@](C#N)(c1ccccc1)[C@H](C)C(=O)OCC ZINC000584596632 346687559 /nfs/dbraw/zinc/68/75/59/346687559.db2.gz CJVCKYHIBOYLFX-CJNGLKHVSA-N 0 0 259.349 3.447 10 30 CGEERN N#Cc1cn(-c2ccc(C(F)(F)F)nc2)nc1C1CC1 ZINC000584619580 346695179 /nfs/dbraw/zinc/69/51/79/346695179.db2.gz WKXSMJIQEFHEAV-UHFFFAOYSA-N 0 0 278.237 3.035 10 30 CGEERN CC1(CCC#CCCCCO[C@@H]2CCCCO2)OCCO1 ZINC000584625788 346697341 /nfs/dbraw/zinc/69/73/41/346697341.db2.gz VAZGFDDSUPPYHC-INIZCTEOSA-N 0 0 296.407 3.247 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1cscc1C(F)(F)F ZINC000598690150 347679308 /nfs/dbraw/zinc/67/93/08/347679308.db2.gz JLEADULATFFPJX-XCBNKYQSSA-N 0 0 288.294 3.189 10 30 CGEERN CC[C@H](CC(=O)N[C@@H]1CCC[C@@H]1C#N)C(C)(C)C ZINC000601273712 347887737 /nfs/dbraw/zinc/88/77/37/347887737.db2.gz MRNQVYQBEDFQGM-JHJVBQTASA-N 0 0 250.386 3.257 10 30 CGEERN COc1ccc(COc2ccc(F)cc2C#N)cc1 ZINC000104230555 185937396 /nfs/dbraw/zinc/93/73/96/185937396.db2.gz ZVILDUMNTVMXIT-UHFFFAOYSA-N 0 0 257.264 3.285 10 30 CGEERN N#Cc1cccc([C@H]2COCCN2Cc2ccccc2)c1 ZINC000616640487 348853928 /nfs/dbraw/zinc/85/39/28/348853928.db2.gz UPPBXCMFMKWYHD-GOSISDBHSA-N 0 0 278.355 3.132 10 30 CGEERN COC(=O)N1CCc2ccccc2[C@H]1c1cccc(C#N)c1 ZINC000616679931 348865805 /nfs/dbraw/zinc/86/58/05/348865805.db2.gz SPJCAZNDOGPFLP-QGZVFWFLSA-N 0 0 292.338 3.272 10 30 CGEERN C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C#N)n2)C[C@@H](C)C1 ZINC000300173729 200885213 /nfs/dbraw/zinc/88/52/13/200885213.db2.gz PLLOKTHXXNOOKI-URLYPYJESA-N 0 0 274.324 3.098 10 30 CGEERN N#Cc1ccc(NC[C@H](O)C2CCCC2)cc1Cl ZINC000301266676 200956733 /nfs/dbraw/zinc/95/67/33/200956733.db2.gz FPAZTJAMEPUVOM-AWEZNQCLSA-N 0 0 264.756 3.175 10 30 CGEERN CC[S@](=O)[C@H]1CCC[C@@H](Nc2ccc(C#N)cc2F)C1 ZINC000301588807 201083013 /nfs/dbraw/zinc/08/30/13/201083013.db2.gz WWXGAUWBUUPKNE-UVARLRKDSA-N 0 0 294.395 3.189 10 30 CGEERN Cc1cc(N(C)Cc2ccc(F)c(F)c2)c(C#N)c(C)n1 ZINC000301793085 201200189 /nfs/dbraw/zinc/20/01/89/201200189.db2.gz RRIVURUGHCGENL-UHFFFAOYSA-N 0 0 287.313 3.485 10 30 CGEERN CCCC1(CNc2ccc([N+](=O)[O-])c(C#N)n2)CCC1 ZINC000302740017 201534301 /nfs/dbraw/zinc/53/43/01/201534301.db2.gz QVMIHHMDMVPPCX-UHFFFAOYSA-N 0 0 274.324 3.244 10 30 CGEERN Cc1onc(-c2c(Cl)cccc2Cl)c1/C=N/N ZINC000000163045 368306407 /nfs/dbraw/zinc/30/64/07/368306407.db2.gz SABNVIQGDYYDKG-PJQLUOCWSA-N 0 0 270.119 3.249 10 30 CGEERN S=C(N/N=C/C=C/c1ccccc1)N[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC000003157755 368493669 /nfs/dbraw/zinc/49/36/69/368493669.db2.gz YOONQWDZLCUVFZ-OHHMZRGCSA-N 0 0 297.427 3.114 10 30 CGEERN CSc1nnc(SCc2cccc(C#N)c2)s1 ZINC000010533595 368583280 /nfs/dbraw/zinc/58/32/80/368583280.db2.gz KIDAVEOCTQHCII-UHFFFAOYSA-N 0 0 279.415 3.424 10 30 CGEERN COc1ccc([C@H]2CCCN(c3ccc(C#N)cn3)C2)cc1 ZINC000013979021 368671064 /nfs/dbraw/zinc/67/10/64/368671064.db2.gz HVVRMBJMQPQQLJ-INIZCTEOSA-N 0 0 293.370 3.346 10 30 CGEERN Cc1ccccc1OCc1ccccc1C(=O)C#N ZINC000059262818 369579114 /nfs/dbraw/zinc/57/91/14/369579114.db2.gz SLVQLQSCRLIDRC-UHFFFAOYSA-N 0 0 251.285 3.280 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)c1c(Cl)cccc1Cl ZINC000061888987 369609998 /nfs/dbraw/zinc/60/99/98/369609998.db2.gz OIHYOLQKWAWKKW-LDYMZIIASA-N 0 0 283.158 3.415 10 30 CGEERN N#Cc1cn(-c2ccc(C(N)=O)cc2)cc1-c1ccccc1 ZINC000098177909 370267939 /nfs/dbraw/zinc/26/79/39/370267939.db2.gz YATZGPFHBKLOHA-UHFFFAOYSA-N 0 0 287.322 3.115 10 30 CGEERN COc1cccc(C(=O)Cc2cc(C)nc(C)c2C#N)c1 ZINC000098180948 370269432 /nfs/dbraw/zinc/26/94/32/370269432.db2.gz ALISJRAKSZIPCZ-UHFFFAOYSA-N 0 0 280.327 3.004 10 30 CGEERN CC(C)(C#N)C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000129959006 371007699 /nfs/dbraw/zinc/00/76/99/371007699.db2.gz QPGNPLORANPNBP-CQSZACIVSA-N 0 0 298.386 3.489 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NCc1cc(Cl)ccc1F ZINC000131750967 371128376 /nfs/dbraw/zinc/12/83/76/371128376.db2.gz UPRNOCOWIFLXKV-TVQRCGJNSA-N 0 0 252.720 3.261 10 30 CGEERN C[C@H]1CC[C@H](C(=O)Nc2ccccc2SCCC#N)O1 ZINC000153424699 371768027 /nfs/dbraw/zinc/76/80/27/371768027.db2.gz ONONCPHSIZSQQQ-WCQYABFASA-N 0 0 290.388 3.198 10 30 CGEERN N#Cc1ccc(N2CCCC[C@H]2c2nccs2)nc1 ZINC000299643051 373590120 /nfs/dbraw/zinc/59/01/20/373590120.db2.gz KKJVGROGTGUIOX-LBPRGKRZSA-N 0 0 270.361 3.141 10 30 CGEERN CCOc1cc(CNc2ccc(F)cc2C#N)ccn1 ZINC000301384812 373768421 /nfs/dbraw/zinc/76/84/21/373768421.db2.gz WLHDOCIWPMBYAP-UHFFFAOYSA-N 0 0 271.295 3.103 10 30 CGEERN Cc1ccc(CN(C)c2ccc(C#N)nc2)cc1F ZINC000302696925 373932199 /nfs/dbraw/zinc/93/21/99/373932199.db2.gz GUELYWYJRXXVNN-UHFFFAOYSA-N 0 0 255.296 3.037 10 30 CGEERN C=CCCC[C@@H](C)NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C ZINC000182595008 374295516 /nfs/dbraw/zinc/29/55/16/374295516.db2.gz QFIBYODDUOFDNR-ZBFHGGJFSA-N 0 0 296.455 3.034 10 30 CGEERN N#Cc1ccccc1NC(=O)[C@H]1CCCCC1(F)F ZINC000327823323 374358248 /nfs/dbraw/zinc/35/82/48/374358248.db2.gz ZUDFDVKOBNSKOC-LLVKDONJSA-N 0 0 264.275 3.322 10 30 CGEERN CC[C@@H]1CC[C@@H](C(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)O1 ZINC000328613505 374370496 /nfs/dbraw/zinc/37/04/96/374370496.db2.gz SFIZQRQNXDECTN-MQYQWHSLSA-N 0 0 283.412 3.352 10 30 CGEERN CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@@H]1CCCCC(=O)N1 ZINC000328652117 374373304 /nfs/dbraw/zinc/37/33/04/374373304.db2.gz JXJIIFULVSUHQF-UONOGXRCSA-N 0 0 295.427 3.107 10 30 CGEERN Cc1nc2c(s1)CCC[C@H]2CNC(=O)c1ncoc1C ZINC000328635194 374373380 /nfs/dbraw/zinc/37/33/80/374373380.db2.gz UQZXBBQFLXHRFG-JTQLQIEISA-N 0 0 291.376 3.173 10 30 CGEERN Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC(C)(C)C1 ZINC000329061887 374398149 /nfs/dbraw/zinc/39/81/49/374398149.db2.gz UYKNKWLYCITYSP-YNEHKIRRSA-N 0 0 291.395 3.033 10 30 CGEERN C[C@]1(CNC(=O)C[C@@H]2CCCCC(=O)N2)CCCC[C@@H]1O ZINC000328687327 374377800 /nfs/dbraw/zinc/37/78/00/374377800.db2.gz YZMBDQISZKURMV-HEHGZKQESA-N 0 0 296.411 3.173 10 30 CGEERN Cc1cc([C@@H]2CCCN(C(=O)N[C@H](C)CC3CC3)C2)[nH]n1 ZINC000328729825 374378712 /nfs/dbraw/zinc/37/87/12/374378712.db2.gz HQSZGKRVACFZHJ-BXUZGUMPSA-N 0 0 290.411 3.000 10 30 CGEERN CC[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328758359 374380760 /nfs/dbraw/zinc/38/07/60/374380760.db2.gz VVYSYRFCEYLEOV-RWMBFGLXSA-N 0 0 294.395 3.190 10 30 CGEERN C#C[C@H](C)NC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000185983376 374780355 /nfs/dbraw/zinc/78/03/55/374780355.db2.gz HHDJJNKPJJLJDE-APHBMKBZSA-N 0 0 255.361 3.051 10 30 CGEERN C=CC[C@H](C)[C@@H](C)Nc1cnn(-c2ncccc2C#N)c1 ZINC000186000990 374783382 /nfs/dbraw/zinc/78/33/82/374783382.db2.gz CYMNLKRWQHMLNU-QWHCGFSZSA-N 0 0 281.363 3.152 10 30 CGEERN Cc1c2ccccc2oc1C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000335831582 375466511 /nfs/dbraw/zinc/46/65/11/375466511.db2.gz QKNNZYTXPAQRIH-WCQYABFASA-N 0 0 268.316 3.163 10 30 CGEERN C=CCN(Cc1ccccc1F)C(=O)[C@@H]1CCCO[C@@H]1C ZINC000189863529 375453711 /nfs/dbraw/zinc/45/37/11/375453711.db2.gz AOKSDNQPCQTVIA-UKRRQHHQSA-N 0 0 291.366 3.155 10 30 CGEERN Cc1ccc([C@@H]2CN(CC#Cc3ccccc3)CCO2)o1 ZINC000192130351 375700337 /nfs/dbraw/zinc/70/03/37/375700337.db2.gz DMHIFZMRYPYTFG-SFHVURJKSA-N 0 0 281.355 3.013 10 30 CGEERN C=CCOc1ccc(COC(=O)[C@@H]2CCCO[C@H]2C)cc1 ZINC000192294781 375728337 /nfs/dbraw/zinc/72/83/37/375728337.db2.gz FYJWNEVAAGQJTM-XJKSGUPXSA-N 0 0 290.359 3.110 10 30 CGEERN N#Cc1cc(N2CC[C@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000227977532 376420877 /nfs/dbraw/zinc/42/08/77/376420877.db2.gz QNZPWKXIDBAXFL-BXUZGUMPSA-N 0 0 271.320 3.235 10 30 CGEERN N#Cc1ccc(N2CC[C@@]3(O)CCCC[C@H]3C2)cc1Cl ZINC000227376533 376394067 /nfs/dbraw/zinc/39/40/67/376394067.db2.gz ARFOFYSPAHMUCI-BBRMVZONSA-N 0 0 290.794 3.343 10 30 CGEERN COC(=O)c1c(F)cc(SC(F)(F)F)cc1C#N ZINC000575390768 377900386 /nfs/dbraw/zinc/90/03/86/377900386.db2.gz ZALMVXAJUXPSGY-UHFFFAOYSA-N 0 0 279.214 3.096 10 30 CGEERN CCOC(=O)c1ccc(Cl)c(OC(F)(F)F)c1C#N ZINC000575382926 377892828 /nfs/dbraw/zinc/89/28/28/377892828.db2.gz SXIGYRLPNDSVBH-UHFFFAOYSA-N 0 0 293.628 3.287 10 30 CGEERN CCOC(=O)c1c(Cl)c(C#N)ccc1OC(F)(F)F ZINC000575382928 377893020 /nfs/dbraw/zinc/89/30/20/377893020.db2.gz TWYCUAOJQTZENM-UHFFFAOYSA-N 0 0 293.628 3.287 10 30 CGEERN COC(=O)c1cc(Cl)c(C#N)cc1C(F)(F)F ZINC000575383072 377893921 /nfs/dbraw/zinc/89/39/21/377893921.db2.gz FMEGWAUSLNKGIV-UHFFFAOYSA-N 0 0 263.602 3.017 10 30 CGEERN COC(=O)c1c(OC(F)(F)F)ccc(C(F)F)c1C#N ZINC000575387423 377895937 /nfs/dbraw/zinc/89/59/37/377895937.db2.gz NETPFSCCBFYPFV-UHFFFAOYSA-N 0 0 295.163 3.181 10 30 CGEERN CCOC(=O)Cc1ccc(CC)c(C#N)c1C(F)(F)F ZINC000575389137 377896384 /nfs/dbraw/zinc/89/63/84/377896384.db2.gz ADOKYZBACFBRAL-UHFFFAOYSA-N 0 0 285.265 3.245 10 30 CGEERN N#CCc1cc(OC(F)F)c(C#N)cc1OC(F)(F)F ZINC000575640432 377924979 /nfs/dbraw/zinc/92/49/79/377924979.db2.gz PXVJOYWQXPCXHB-UHFFFAOYSA-N 0 0 292.163 3.124 10 30 CGEERN N#CCc1c(C#N)cc(OC(F)(F)F)cc1OC(F)F ZINC000575640792 377925535 /nfs/dbraw/zinc/92/55/35/377925535.db2.gz RYYAJESXWYYSTK-UHFFFAOYSA-N 0 0 292.163 3.124 10 30 CGEERN CCOc1c(C#N)cc(CC#N)cc1C(F)(F)F ZINC000575642413 377926020 /nfs/dbraw/zinc/92/60/20/377926020.db2.gz AYXUSCUHFHMVHI-UHFFFAOYSA-N 0 0 254.211 3.042 10 30 CGEERN CCOc1cc(OC(F)F)cc(CC#N)c1OCC ZINC000575646857 377927463 /nfs/dbraw/zinc/92/74/63/377927463.db2.gz FDBSQKMGRAKQMS-UHFFFAOYSA-N 0 0 271.263 3.151 10 30 CGEERN N#Cc1c(F)cc(OC(F)F)cc1OC(F)(F)F ZINC000575660167 377935822 /nfs/dbraw/zinc/93/58/22/377935822.db2.gz NZOSVXSEBXIFQN-UHFFFAOYSA-N 0 0 271.116 3.197 10 30 CGEERN N#Cc1cc(OC(F)F)c(F)cc1OC(F)(F)F ZINC000575660448 377936090 /nfs/dbraw/zinc/93/60/90/377936090.db2.gz PYEKQOZZFIZAMN-UHFFFAOYSA-N 0 0 271.116 3.197 10 30 CGEERN N#Cc1cc(C(F)(F)F)cc(OC(F)F)c1[N+](=O)[O-] ZINC000575668195 377945199 /nfs/dbraw/zinc/94/51/99/377945199.db2.gz UTIRHPMADWBWAT-UHFFFAOYSA-N 0 0 282.124 3.087 10 30 CGEERN CCOC(=O)c1c(OCC)cc(C#N)cc1C(F)(F)F ZINC000575670979 377947165 /nfs/dbraw/zinc/94/71/65/377947165.db2.gz OPDWKWCKHIFIEY-UHFFFAOYSA-N 0 0 287.237 3.152 10 30 CGEERN COc1c(Cl)cc(CC#N)cc1Br ZINC000575674168 377949583 /nfs/dbraw/zinc/94/95/83/377949583.db2.gz NOPJJVKYSVQWCH-UHFFFAOYSA-N 0 0 260.518 3.177 10 30 CGEERN N#CCc1cc(F)c(OC(F)F)c(Br)c1 ZINC000575679731 377953461 /nfs/dbraw/zinc/95/34/61/377953461.db2.gz ASECZQPHHBHMQE-UHFFFAOYSA-N 0 0 280.043 3.256 10 30 CGEERN N#Cc1c(F)cc(OC(F)F)cc1Br ZINC000575679934 377953506 /nfs/dbraw/zinc/95/35/06/377953506.db2.gz GGMHVUUSJXSGDS-UHFFFAOYSA-N 0 0 266.016 3.061 10 30 CGEERN CCOC(=O)c1cc(C(F)(F)F)c(C)cc1C#N ZINC000575394381 377902662 /nfs/dbraw/zinc/90/26/62/377902662.db2.gz GIUKAWOAPWPBSD-UHFFFAOYSA-N 0 0 257.211 3.062 10 30 CGEERN Nc1cc(OC(F)(F)F)c(C(F)(F)F)cc1F ZINC000575397393 377904907 /nfs/dbraw/zinc/90/49/07/377904907.db2.gz WUHJXIWTWZYAMM-UHFFFAOYSA-N 0 0 263.112 3.325 10 30 CGEERN C[C@H](/C(=N/O)c1ccccc1)/[N+](O)=C\C=C\c1ccccc1 ZINC000575418157 377906383 /nfs/dbraw/zinc/90/63/83/377906383.db2.gz OOHNGTLKJDDCAA-FGQWWJISSA-O 0 0 295.362 3.439 10 30 CGEERN N#CCc1ccc(F)c(OC(F)F)c1Br ZINC000575680711 377954764 /nfs/dbraw/zinc/95/47/64/377954764.db2.gz UWRXCSKRAJCPAK-UHFFFAOYSA-N 0 0 280.043 3.256 10 30 CGEERN N#Cc1cc(OC(F)F)cc(Br)c1F ZINC000575680359 377954912 /nfs/dbraw/zinc/95/49/12/377954912.db2.gz OPYYCQQFGVCVRQ-UHFFFAOYSA-N 0 0 266.016 3.061 10 30 CGEERN C[C@@H]1CC[C@@](C#N)(NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000575496685 377914631 /nfs/dbraw/zinc/91/46/31/377914631.db2.gz OGBUJMGUENBKER-SUNKGSAMSA-N 0 0 252.358 3.230 10 30 CGEERN O=C(/C=C/Cl)c1sccc1I ZINC000575518061 377915813 /nfs/dbraw/zinc/91/58/13/377915813.db2.gz GQUUHUJUGFHCQB-HNQUOIGGSA-N 0 0 298.532 3.288 10 30 CGEERN N#Cc1ccc(Br)c(F)c1OC(F)(F)F ZINC000575688636 377963003 /nfs/dbraw/zinc/96/30/03/377963003.db2.gz WUTNBQYPORQNPN-UHFFFAOYSA-N 0 0 284.006 3.358 10 30 CGEERN N#CCc1c(O)c(Br)ccc1OC(F)(F)F ZINC000575690739 377965595 /nfs/dbraw/zinc/96/55/95/377965595.db2.gz BNCVEABUJCWAEM-UHFFFAOYSA-N 0 0 296.042 3.119 10 30 CGEERN N#Cc1cc(Cl)c(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000575694101 377967984 /nfs/dbraw/zinc/96/79/84/377967984.db2.gz JAXSLECGJIXPNU-UHFFFAOYSA-N 0 0 250.563 3.139 10 30 CGEERN N#CCc1cc(Cl)c(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000575696586 377970174 /nfs/dbraw/zinc/97/01/74/377970174.db2.gz XNEKNVLIGBZWRU-UHFFFAOYSA-N 0 0 264.590 3.333 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)CSc1ccccc1Cl ZINC000359669902 381361039 /nfs/dbraw/zinc/36/10/39/381361039.db2.gz DXEWUNACMLHNRQ-ZYHUDNBSSA-N 0 0 294.807 3.241 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)CCSc1ccccc1F ZINC000359678513 381362644 /nfs/dbraw/zinc/36/26/44/381362644.db2.gz POPYEJXTKQXSEG-DGCLKSJQSA-N 0 0 292.379 3.116 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)CCSc1ccccc1F ZINC000359678510 381362991 /nfs/dbraw/zinc/36/29/91/381362991.db2.gz POPYEJXTKQXSEG-AAEUAGOBSA-N 0 0 292.379 3.116 10 30 CGEERN Cc1cnc([C@H](C)NC(=O)N2CC3(CCC3)[C@H]2C2CC2)o1 ZINC000329605628 542447449 /nfs/dbraw/zinc/44/74/49/542447449.db2.gz MDHRSNGSDBJMII-WCQYABFASA-N 0 0 289.379 3.223 10 30 CGEERN Cc1cnc([C@@H](C)NC(=O)CCC2CCOCC2)o1 ZINC000329466102 542446857 /nfs/dbraw/zinc/44/68/57/542446857.db2.gz VWBJYALNUBWRHM-LLVKDONJSA-N 0 0 266.341 3.207 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000329696492 542448111 /nfs/dbraw/zinc/44/81/11/542448111.db2.gz BVZPCCJMXHWULH-DRHLYTSKSA-N 0 0 287.407 3.007 10 30 CGEERN O=C(N[C@H]1CCCC[C@H]1CO)c1coc(C2CCCC2)n1 ZINC000329900828 542449557 /nfs/dbraw/zinc/44/95/57/542449557.db2.gz GJIMQUAXZINAFQ-STQMWFEESA-N 0 0 292.379 3.188 10 30 CGEERN Cc1cc(=O)[nH]c2cc(C(=O)N[C@@H]3CCC[C@@H]3C#N)ccc12 ZINC000329657047 291973134 /nfs/dbraw/zinc/97/31/34/291973134.db2.gz GPTXKSNRKUMEGR-TZMCWYRMSA-N 0 0 295.342 3.246 10 30 CGEERN C=CCN(CCc1ccccc1)C(=O)[C@H]1CCCO[C@H]1C ZINC000190446486 130105085 /nfs/dbraw/zinc/10/50/85/130105085.db2.gz PHDOEPHXEIVQQH-RDJZCZTQSA-N 0 0 287.403 3.059 10 30 CGEERN C=CCN(C(=O)[C@H]1CCCO[C@H]1C)c1ccccc1 ZINC000191866113 130321140 /nfs/dbraw/zinc/32/11/40/130321140.db2.gz ZESWZMPUIAKANY-ZFWWWQNUSA-N 0 0 259.349 3.021 10 30 CGEERN CCC[C@H](C)CC(=O)N1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000366208626 392451324 /nfs/dbraw/zinc/45/13/24/392451324.db2.gz AZETTXVTMNSIDR-ZOBUZTSGSA-N 0 0 292.423 3.267 10 30 CGEERN C=C[C@](C)(CC)C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000134929213 392470191 /nfs/dbraw/zinc/47/01/91/392470191.db2.gz CVOHBKTWEVPZGQ-YVEFUNNKSA-N 0 0 291.391 3.483 10 30 CGEERN Brc1ccc(C#Cc2ccccn2)cc1 ZINC000168810455 392609687 /nfs/dbraw/zinc/60/96/87/392609687.db2.gz OTGIBWZJRLCFKK-UHFFFAOYSA-N 0 0 258.118 3.244 10 30 CGEERN COc1cccc(-c2ccnc(Br)c2C#N)c1 ZINC000575602622 393201840 /nfs/dbraw/zinc/20/18/40/393201840.db2.gz RDKVDMNEDCZBDD-UHFFFAOYSA-N 0 0 289.132 3.391 10 30 CGEERN Cc1ccc(S(=O)(=O)OC2CCC(F)(F)CC2)cc1 ZINC000072266195 292185274 /nfs/dbraw/zinc/18/52/74/292185274.db2.gz XEDFISYURDWFCL-UHFFFAOYSA-N 0 0 290.331 3.278 10 30 CGEERN C[C@H]1CCCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)C1 ZINC000329094205 299816358 /nfs/dbraw/zinc/81/63/58/299816358.db2.gz XOFMYVAHUDTMOW-OUCADQQQSA-N 0 0 295.427 3.166 10 30 CGEERN N#Cc1c(Cl)cccc1NC[C@@H]1CCCC[C@@H]1O ZINC000086015216 165180704 /nfs/dbraw/zinc/18/07/04/165180704.db2.gz DLFBNQYBDRXWJM-HZMBPMFUSA-N 0 0 264.756 3.175 10 30 CGEERN CN(/N=C/c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000005343008 170087678 /nfs/dbraw/zinc/08/76/78/170087678.db2.gz AOLVANWYBMSOSS-RVDMUPIBSA-N 0 0 255.277 3.065 10 30 CGEERN CC(N=Nc1c(F)c(F)cc(F)c1F)c1ccncc1 ZINC000005621272 170120918 /nfs/dbraw/zinc/12/09/18/170120918.db2.gz DRXIQETUMLVRQJ-FBCYGCLPSA-N 0 0 283.228 3.474 10 30 CGEERN COc1ccc(O)c(C=NNc2ccc(C)cc2)c1 ZINC000007931053 170308486 /nfs/dbraw/zinc/30/84/86/170308486.db2.gz QBLKZPLSJSTJFJ-MHWRWJLKSA-N 0 0 256.305 3.155 10 30 CGEERN O=[N+]([O-])c1ccc(C=NNc2ccc(F)cc2)cc1 ZINC000007949024 170308763 /nfs/dbraw/zinc/30/87/63/170308763.db2.gz IACCEWSHKAPJKZ-OQLLNIDSSA-N 0 0 259.240 3.180 10 30 CGEERN CC(=O)C(Cl)=NNc1ccc(Br)cc1 ZINC000008385657 170334526 /nfs/dbraw/zinc/33/45/26/170334526.db2.gz KNZABGDOPMGFMU-UKTHLTGXSA-N 0 0 275.533 3.002 10 30 CGEERN O=C(c1cccc(Cl)c1Cl)N1CCC(=NO)CC1 ZINC000019518306 170824266 /nfs/dbraw/zinc/82/42/66/170824266.db2.gz ULXNDAHDBKQJQI-UHFFFAOYSA-N 0 0 287.146 3.060 10 30 CGEERN N#CCCN(Cc1cccc(N)c1)c1ccccc1 ZINC000019833337 170883526 /nfs/dbraw/zinc/88/35/26/170883526.db2.gz ZDAGNRYNRKJFNF-UHFFFAOYSA-N 0 0 251.333 3.189 10 30 CGEERN C=C(C(=O)OC)[C@@H](O)c1sc2ccccc2c1Cl ZINC000019835788 170884867 /nfs/dbraw/zinc/88/48/67/170884867.db2.gz DPIBCEQEBHNEDZ-LLVKDONJSA-N 0 0 282.748 3.317 10 30 CGEERN CCOc1ccc([C@@H](C#N)NCc2ccco2)cc1 ZINC000020175115 171041999 /nfs/dbraw/zinc/04/19/99/171041999.db2.gz YZYNAKXPWQRRJX-OAHLLOKOSA-N 0 0 256.305 3.033 10 30 CGEERN CC(C)N[C@@H](C#N)c1ccc(Br)cc1 ZINC000020176227 171042283 /nfs/dbraw/zinc/04/22/83/171042283.db2.gz CJPLVRDPOAUVTK-NSHDSACASA-N 0 0 253.143 3.012 10 30 CGEERN N#C[C@H](NC1CCCCCC1)c1ccc2c(c1)OCO2 ZINC000020175817 171042358 /nfs/dbraw/zinc/04/23/58/171042358.db2.gz YMGKIIDIWHCNCF-AWEZNQCLSA-N 0 0 272.348 3.292 10 30 CGEERN C=CCNC(=O)[C@@H](C)Nc1cccc(Cl)c1Cl ZINC000020359410 171158226 /nfs/dbraw/zinc/15/82/26/171158226.db2.gz LBDUXHJNNWUKLD-MRVPVSSYSA-N 0 0 273.163 3.096 10 30 CGEERN C=CCNC(=O)[C@H](C)Nc1ccccc1SC(F)F ZINC000020360605 171159519 /nfs/dbraw/zinc/15/95/19/171159519.db2.gz YQEQFYFBQOFQPK-VIFPVBQESA-N 0 0 286.347 3.104 10 30 CGEERN CN[C@](C)(C#N)C(c1ccccc1)c1ccccc1 ZINC000020378076 171171787 /nfs/dbraw/zinc/17/17/87/171171787.db2.gz VNFARCQBGWEBGP-QGZVFWFLSA-N 0 0 250.345 3.320 10 30 CGEERN C=C1Cc2ccccc2C(=O)N1CCOc1ccccc1 ZINC000020512648 171231272 /nfs/dbraw/zinc/23/12/72/171231272.db2.gz XBGIOEWHOYALAO-UHFFFAOYSA-N 0 0 279.339 3.278 10 30 CGEERN CC(C)n1cc(C=NN=c2[nH]c3ccccc3o2)cn1 ZINC000020827374 171273947 /nfs/dbraw/zinc/27/39/47/171273947.db2.gz GDADTTADGLHUTK-VIZOYTHASA-N 0 0 269.308 3.051 10 30 CGEERN Cc1c(N)cccc1NC(=O)Nc1ccc(C#N)cc1 ZINC000022161546 171364091 /nfs/dbraw/zinc/36/40/91/171364091.db2.gz VVHNLJUAHZGTNJ-UHFFFAOYSA-N 0 0 266.304 3.093 10 30 CGEERN N#Cc1ccc(NC(=O)c2cc(Cl)ccc2N)cc1 ZINC000022168574 171366530 /nfs/dbraw/zinc/36/65/30/171366530.db2.gz LFTVNVIMUZDUEH-UHFFFAOYSA-N 0 0 271.707 3.046 10 30 CGEERN C=CCN(CC=C)C(=O)c1sc(-c2cccnc2)nc1C ZINC000031864703 171651115 /nfs/dbraw/zinc/65/11/15/171651115.db2.gz OESWTHXHQCCMIS-UHFFFAOYSA-N 0 0 299.399 3.328 10 30 CGEERN C[C@H](O)c1ccc(OCc2ccc(C#N)cc2)cc1 ZINC000035188711 172043535 /nfs/dbraw/zinc/04/35/35/172043535.db2.gz LZKVAYWCVDJCBC-LBPRGKRZSA-N 0 0 253.301 3.191 10 30 CGEERN Cc1c(N)cccc1OCc1cc(C#N)ccc1F ZINC000035283152 172101151 /nfs/dbraw/zinc/10/11/51/172101151.db2.gz BWSOYZHAPHPMHQ-UHFFFAOYSA-N 0 0 256.280 3.167 10 30 CGEERN C[C@H](O)c1ccccc1OCc1ccccc1C#N ZINC000035627094 172306312 /nfs/dbraw/zinc/30/63/12/172306312.db2.gz VUYCPLGIYJUHPE-LBPRGKRZSA-N 0 0 253.301 3.191 10 30 CGEERN C[C@@H](O)c1cccc(OCc2cc(C#N)ccc2F)c1 ZINC000035627782 172306689 /nfs/dbraw/zinc/30/66/89/172306689.db2.gz UZRXBJKUMZCBKZ-LLVKDONJSA-N 0 0 271.291 3.330 10 30 CGEERN N#Cc1c(F)cccc1Oc1ccc(F)cc1C=O ZINC000036306879 172598077 /nfs/dbraw/zinc/59/80/77/172598077.db2.gz PPACKSSGNKSLAP-UHFFFAOYSA-N 0 0 259.211 3.441 10 30 CGEERN C[C@H](Nc1ccccc1CO)c1cccc(C#N)c1 ZINC000037317143 173117714 /nfs/dbraw/zinc/11/77/14/173117714.db2.gz SPRZXSUGNDWRCX-LBPRGKRZSA-N 0 0 252.317 3.224 10 30 CGEERN Cn1ccnc1Sc1ccc(C(F)(F)F)cc1C#N ZINC000037334146 173134907 /nfs/dbraw/zinc/13/49/07/173134907.db2.gz QGURYUOHWONOMV-UHFFFAOYSA-N 0 0 283.278 3.462 10 30 CGEERN Cc1cc(C(C)(C)C)ccc1OCCC/C(N)=N/O ZINC000037429017 173199833 /nfs/dbraw/zinc/19/98/33/173199833.db2.gz LUUHXLCHBRGCAP-UHFFFAOYSA-N 0 0 264.369 3.198 10 30 CGEERN Cc1cc(N(CCC#N)c2ccccc2)nc(C)n1 ZINC000037756791 173680305 /nfs/dbraw/zinc/68/03/05/173680305.db2.gz JZQRGDOKCZZEQR-UHFFFAOYSA-N 0 0 252.321 3.145 10 30 CGEERN COc1cc([C@@H](C#N)Nc2ccccc2)ccc1O ZINC000037935345 173876187 /nfs/dbraw/zinc/87/61/87/173876187.db2.gz HLTVLABFZBRFDT-CYBMUJFWSA-N 0 0 254.289 3.078 10 30 CGEERN C=CC[C@H](CN(CC=C)C(=O)OC(C)(C)C)C(=O)OCC ZINC000038875513 174157752 /nfs/dbraw/zinc/15/77/52/174157752.db2.gz JHJVLXXLUWOXES-CYBMUJFWSA-N 0 0 297.395 3.165 10 30 CGEERN CCOC(=O)[C@@H](C#N)Cc1ccc(Cl)cc1Cl ZINC000040544834 174324186 /nfs/dbraw/zinc/32/41/86/174324186.db2.gz VIDKMJVFYHMDPT-SECBINFHSA-N 0 0 272.131 3.239 10 30 CGEERN CC(C)N(CCC#N)c1ccc([C@@H](C)O)cc1F ZINC000042529600 174780023 /nfs/dbraw/zinc/78/00/23/174780023.db2.gz HWXUPFRGOMXGMF-LLVKDONJSA-N 0 0 250.317 3.007 10 30 CGEERN Cc1cc(N(CCC#N)C2CC2)c2ccccc2n1 ZINC000042549469 174789483 /nfs/dbraw/zinc/78/94/83/174789483.db2.gz BEOUWSCPDGZGIP-UHFFFAOYSA-N 0 0 251.333 3.426 10 30 CGEERN CCO[C@]1(C#N)C=CC(/N=C/c2ccccc2)=CC1 ZINC000071791698 176263226 /nfs/dbraw/zinc/26/32/26/176263226.db2.gz VTRLAFZROKKXDX-YAJBTMAUSA-N 0 0 252.317 3.248 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1ccc2c(c1)CCC=C2 ZINC000329191426 227346810 /nfs/dbraw/zinc/34/68/10/227346810.db2.gz RLZLFBZLHRMOEH-CVEARBPZSA-N 0 0 266.344 3.068 10 30 CGEERN C[C@H](CCC1CCCCC1)NC(=O)N[C@@H]1CCCNC1=O ZINC000329456225 227527424 /nfs/dbraw/zinc/52/74/24/227527424.db2.gz NFXXUHUIKQEJEI-TZMCWYRMSA-N 0 0 295.427 3.358 10 30 CGEERN N#Cc1ccc(NC[C@H]2C[C@]23CCCc2ccccc23)nn1 ZINC000301957130 227741845 /nfs/dbraw/zinc/74/18/45/227741845.db2.gz LECXYTIPTOTDHC-RDTXWAMCSA-N 0 0 290.370 3.054 10 30 CGEERN Cc1ccnn1-c1ccccc1NC(=O)N1C[C@H]2CCC[C@H]21 ZINC000329763074 227941475 /nfs/dbraw/zinc/94/14/75/227941475.db2.gz UBICXUPSOBOLHR-UKRRQHHQSA-N 0 0 296.374 3.211 10 30 CGEERN COC1CCC(CCNC(=O)[C@]2(C)CCCNC2=O)CC1 ZINC000330309800 228123419 /nfs/dbraw/zinc/12/34/19/228123419.db2.gz MYTZADFNZSWMPK-SEEARECTSA-N 0 0 296.411 3.295 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1cc2cc(F)ccc2s1 ZINC000336081760 228185868 /nfs/dbraw/zinc/18/58/68/228185868.db2.gz ASFFIIDHBAPFEL-SKDRFNHKSA-N 0 0 288.347 3.462 10 30 CGEERN N#C[C@@]1(c2nc(CCC3CC3)no2)CC12CCCC2 ZINC000333188755 228192424 /nfs/dbraw/zinc/19/24/24/228192424.db2.gz NNXRMDOCVHCGPG-OAHLLOKOSA-N 0 0 257.337 3.138 10 30 CGEERN Cc1oc(-c2ccsc2)nc1CN[C@H]1CCC[C@H]1C#N ZINC000333631071 228207415 /nfs/dbraw/zinc/20/74/15/228207415.db2.gz QYMGBXGMJUPGAJ-AAEUAGOBSA-N 0 0 287.388 3.493 10 30 CGEERN N#C[C@]1(c2nc(CC3CCC3)no2)CC12CCCC2 ZINC000333851862 228217206 /nfs/dbraw/zinc/21/72/06/228217206.db2.gz PQQLLKIPSIUBOC-HNNXBMFYSA-N 0 0 257.337 3.138 10 30 CGEERN C=C(C)CN(C)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000180413591 260101072 /nfs/dbraw/zinc/10/10/72/260101072.db2.gz YNYMKXYAMIRWMQ-GHMZBOCLSA-N 0 0 278.318 3.325 10 30 CGEERN N#C[C@@H](CCCO[C@@H]1CCCCO1)c1cccnc1 ZINC000015042669 260085332 /nfs/dbraw/zinc/08/53/32/260085332.db2.gz WYDBLSJVHSWUNU-UKRRQHHQSA-N 0 0 260.337 3.012 10 30 CGEERN CC[C@H](C#N)NC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000102350541 261220577 /nfs/dbraw/zinc/22/05/77/261220577.db2.gz LDKVOPSYFVKBNY-GFCCVEGCSA-N 0 0 272.279 3.118 10 30 CGEERN Cc1cccc(C(=O)N[C@H]2CCC[C@H]2C#N)c1Cl ZINC000162885190 262381130 /nfs/dbraw/zinc/38/11/30/262381130.db2.gz ZNUTWGYBAYLILC-JQWIXIFHSA-N 0 0 262.740 3.071 10 30 CGEERN C[C@H](N(C)C(=O)N[C@@H]1CCC(=O)NC12CCC2)C1(C)CC1 ZINC000328693297 263844375 /nfs/dbraw/zinc/84/43/75/263844375.db2.gz JNPPXKQTRQUDBY-NWDGAFQWSA-N 0 0 293.411 3.062 10 30 CGEERN C=CC[C@@H](CO)NC(=O)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000182806152 264517166 /nfs/dbraw/zinc/51/71/66/264517166.db2.gz YDHRVILQQZVGBW-BBRMVZONSA-N 0 0 290.407 3.107 10 30 CGEERN C=CCSCCNC(=O)N1CCC[C@H]1c1ccco1 ZINC000116427556 267152196 /nfs/dbraw/zinc/15/21/96/267152196.db2.gz VFDXBDVAIBMWRG-LBPRGKRZSA-N 0 0 280.393 3.045 10 30 CGEERN C#C[C@@H](OC(N)=O)C1CCC(c2ccccc2)CC1 ZINC000003598524 277703256 /nfs/dbraw/zinc/70/32/56/277703256.db2.gz RFUFMOJFRJZNJU-YMAMQOFZSA-N 0 0 257.333 3.058 10 30 CGEERN C[C@H]1CC[C@H](NC(=O)c2ccnc(C#N)c2)c2ccccc21 ZINC000193670349 279759846 /nfs/dbraw/zinc/75/98/46/279759846.db2.gz PUCRVUHUYRNNNX-SJCJKPOMSA-N 0 0 291.354 3.322 10 30 CGEERN N#C[C@@]1(NC2CCCC2)CCCN(Cc2ccccc2)C1 ZINC000037968546 294835840 /nfs/dbraw/zinc/83/58/40/294835840.db2.gz NTJZPCSDBVGAAR-SFHVURJKSA-N 0 0 283.419 3.077 10 30 CGEERN N[C@@H](c1ccc(F)cc1C(F)(F)F)C(F)(F)F ZINC000072195534 295296040 /nfs/dbraw/zinc/29/60/40/295296040.db2.gz UFDHIJMLKFENNV-ZETCQYMHSA-N 0 0 261.140 3.407 10 30 CGEERN C[C@@H]1CC[C@H](NC(=O)c2ccc(C#N)cn2)c2ccccc21 ZINC000162738840 321886605 /nfs/dbraw/zinc/88/66/05/321886605.db2.gz RYVZCIVBCNBBEO-WBMJQRKESA-N 0 0 291.354 3.322 10 30 CGEERN C#CCCCNC(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000178003054 329191393 /nfs/dbraw/zinc/19/13/93/329191393.db2.gz PSVPUMVXGAYZOJ-AWEZNQCLSA-N 0 0 286.375 3.001 10 30 CGEERN C=CCCCCCN(C)C(=O)[C@@H]1CCCO[C@@H]1C ZINC000187976175 329364487 /nfs/dbraw/zinc/36/44/87/329364487.db2.gz LMIMVRHOBUGBBK-ZIAGYGMSSA-N 0 0 253.386 3.006 10 30 CGEERN C=C(C)CS(=O)(=O)N1CCCC[C@H]1c1ccc(C)o1 ZINC000189661730 329384311 /nfs/dbraw/zinc/38/43/11/329384311.db2.gz VBRFFELAWIAKTN-ZDUSSCGKSA-N 0 0 283.393 3.021 10 30 CGEERN C=CCC(CC=C)C(=O)N1CCO[C@@H](c2ccc(C)o2)C1 ZINC000134169797 329657543 /nfs/dbraw/zinc/65/75/43/329657543.db2.gz KDPVXPDTMXRGEW-MRXNPFEDSA-N 0 0 289.375 3.256 10 30 CGEERN C=CCCCN(C)C(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000246252063 329808951 /nfs/dbraw/zinc/80/89/51/329808951.db2.gz FNTGGUSKVJDQKW-GVDBMIGSSA-N 0 0 284.403 3.322 10 30 CGEERN C=CCCCC[C@H](C)[NH2+]C[C@@H](CC(C)C)C(=O)[O-] ZINC000263074013 330042079 /nfs/dbraw/zinc/04/20/79/330042079.db2.gz QFPFECFSVDUVEN-UONOGXRCSA-N 0 0 255.402 3.458 10 30 CGEERN CC(C)[C@@H]1[C@@H](C=O)[C@@H]1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000536955049 330382995 /nfs/dbraw/zinc/38/29/95/330382995.db2.gz OQHSIFBPKXBZOJ-KFWWJZLASA-N 0 0 295.423 3.351 10 30 CGEERN CC(C)[C@@H]1[C@H](C=O)[C@@H]1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000536956395 330383234 /nfs/dbraw/zinc/38/32/34/330383234.db2.gz ZDFWEZFWAIVZAW-BARDWOONSA-N 0 0 295.423 3.351 10 30 CGEERN C=C(C)C[C@@H](C)C(=O)N[C@H](CCC)C(=O)OC(C)(C)C ZINC000186066011 333154168 /nfs/dbraw/zinc/15/41/68/333154168.db2.gz QNFLITNBNPXJMC-CHWSQXEVSA-N 0 0 283.412 3.215 10 30 CGEERN C=CCC1(C(=O)N[C@H](CCC)C(=O)OC(C)(C)C)CCC1 ZINC000190276328 333204935 /nfs/dbraw/zinc/20/49/35/333204935.db2.gz VEFZFCSUBCPWCS-CYBMUJFWSA-N 0 0 295.423 3.359 10 30 CGEERN Cc1cc(CNCC(C)(C)C#N)sc1Br ZINC000134975474 334110321 /nfs/dbraw/zinc/11/03/21/334110321.db2.gz SAPSJJYHVFDUET-UHFFFAOYSA-N 0 0 287.226 3.458 10 30 CGEERN CC(C)c1nnc(CSc2cccc(C#N)c2)n1C ZINC000177361327 335370738 /nfs/dbraw/zinc/37/07/38/335370738.db2.gz KNUXVKVQRJCGPR-UHFFFAOYSA-N 0 0 272.377 3.102 10 30 CGEERN C=CCc1cc(OC)ccc1OC(=O)[C@H]1CCCO[C@H]1C ZINC000192193667 534419209 /nfs/dbraw/zinc/41/92/09/534419209.db2.gz CSJXLPFZVFBZTN-WFASDCNBSA-N 0 0 290.359 3.144 10 30 CGEERN CC(C)CN(CC[NH+](C)C)c1cc(Cl)ccc1C#N ZINC000062790057 519716649 /nfs/dbraw/zinc/71/66/49/519716649.db2.gz RRRMQUUNKYCGGM-UHFFFAOYSA-N 0 0 279.815 3.236 10 30 CGEERN Cc1cnc([C@H](C)NC(=O)N2CCC[C@H](C3CC3)C2)o1 ZINC000329259152 534630195 /nfs/dbraw/zinc/63/01/95/534630195.db2.gz ANLUPANJEIXRGT-AAEUAGOBSA-N 0 0 277.368 3.080 10 30 CGEERN Cc1nc2cc(NC(=O)N3C[C@@H]4CCC[C@H]43)ccc2o1 ZINC000330099529 534639350 /nfs/dbraw/zinc/63/93/50/534639350.db2.gz DDWVQKGLDZSFCW-GXFFZTMASA-N 0 0 271.320 3.166 10 30 CGEERN COC[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000103358158 522556396 /nfs/dbraw/zinc/55/63/96/522556396.db2.gz DCMHFSMYHDETBU-JTQLQIEISA-N 0 0 292.404 3.110 10 30 CGEERN CCn1cc(COc2ccc(C#N)cc2Cl)cn1 ZINC000050539887 523392406 /nfs/dbraw/zinc/39/24/06/523392406.db2.gz JTHUZPVWLSGNGU-UHFFFAOYSA-N 0 0 261.712 3.007 10 30 CGEERN CN(Cc1cccs1)c1ccc(/C(N)=N/O)cc1Cl ZINC000062794456 523451072 /nfs/dbraw/zinc/45/10/72/523451072.db2.gz WTTVUXFGAMOBTN-UHFFFAOYSA-N 0 0 295.795 3.132 10 30 CGEERN CC[C@H](C)N(CC)c1cccc(Cl)c1/C(N)=N/O ZINC000052904313 523935873 /nfs/dbraw/zinc/93/58/73/523935873.db2.gz BFBBEVBCIJQHEC-VIFPVBQESA-N 0 0 269.776 3.059 10 30 CGEERN Cc1cc(C)c(C)c(OCc2cccnc2C#N)c1 ZINC000061664846 524248918 /nfs/dbraw/zinc/24/89/18/524248918.db2.gz DDYJVKIGBJTFGH-UHFFFAOYSA-N 0 0 252.317 3.458 10 30 CGEERN COc1ccc(Nc2cc(C)nc(C)c2C#N)c(OC)c1 ZINC000156546023 524713442 /nfs/dbraw/zinc/71/34/42/524713442.db2.gz CFOMCUFUEXZTHW-UHFFFAOYSA-N 0 0 283.331 3.331 10 30 CGEERN Cc1ccccc1[C@H](C)NC(=O)c1ccc(C#N)c(O)c1 ZINC000189868271 534836177 /nfs/dbraw/zinc/83/61/77/534836177.db2.gz ACVYOPHZGXYRTQ-LBPRGKRZSA-N 0 0 280.327 3.063 10 30 CGEERN Cc1ccc(C#N)c(NCCOc2ccccc2)c1 ZINC000051580155 525991824 /nfs/dbraw/zinc/99/18/24/525991824.db2.gz KRKUGJBFLHEMCD-UHFFFAOYSA-N 0 0 252.317 3.358 10 30 CGEERN Cc1ccc2cccc(NC3=NC[C@@H](C)S3)c2n1 ZINC000061875181 526233881 /nfs/dbraw/zinc/23/38/81/526233881.db2.gz SPCCJMSKYXPRHI-SNVBAGLBSA-N 0 0 257.362 3.256 10 30 CGEERN C=CCSCCNC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109094751 527000457 /nfs/dbraw/zinc/00/04/57/527000457.db2.gz KILOGECAENYBBB-RYUDHWBXSA-N 0 0 297.370 3.104 10 30 CGEERN CC(C)(C#N)c1ccc(NC(=O)N2CC3(CC3)C2)cc1 ZINC000333831172 527495938 /nfs/dbraw/zinc/49/59/38/527495938.db2.gz LPXGVZOTNGHBAB-UHFFFAOYSA-N 0 0 269.348 3.115 10 30 CGEERN CC1(C)C[C@@H]1c1noc([C@@]2(C#N)CC23CCCC3)n1 ZINC000333853234 527721468 /nfs/dbraw/zinc/72/14/68/527721468.db2.gz PXUZLFHQBPXLAW-BMIGLBTASA-N 0 0 257.337 3.309 10 30 CGEERN CC(C)n1nnnc1CS[C@H](C)c1ccc(C#N)cc1 ZINC000176903706 528702429 /nfs/dbraw/zinc/70/24/29/528702429.db2.gz AJSNTRFESVQOHA-LLVKDONJSA-N 0 0 287.392 3.120 10 30 CGEERN CC[C@@H]1CCN1CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000330284935 529332914 /nfs/dbraw/zinc/33/29/14/529332914.db2.gz YEADZLFMZHYQIV-SNVBAGLBSA-N 0 0 298.289 3.080 10 30 CGEERN C=C(Cl)CC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000685959253 570406628 /nfs/dbraw/zinc/40/66/28/570406628.db2.gz PSEVSCNFNGKENB-JTQLQIEISA-N 0 0 273.760 3.098 10 30 CGEERN C[C@@H](S)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000757160208 617826982 /nfs/dbraw/zinc/82/69/82/617826982.db2.gz MCFUHPQQCRXZBL-KPPDAEKUSA-N 0 0 259.415 3.388 10 30 CGEERN N#Cc1cnc(-c2cccc(C(F)F)n2)nc1Cl ZINC000757195626 617841304 /nfs/dbraw/zinc/84/13/04/617841304.db2.gz MJJLAXPXKWAQAC-UHFFFAOYSA-N 0 0 266.638 3.001 10 30 CGEERN COc1cccc(/C=N\[C@@H]2CCOc3ccccc32)c1O ZINC000255100529 617922309 /nfs/dbraw/zinc/92/23/09/617922309.db2.gz CFNGVJYCAWPNLB-JVVDOCDTSA-N 0 0 283.327 3.344 10 30 CGEERN C=C(C)[C@H]1CC=C(COC(=O)[C@@H](C)COC)CC1 ZINC000177693602 618835874 /nfs/dbraw/zinc/83/58/74/618835874.db2.gz KEDHCFZIQWPTRP-JSGCOSHPSA-N 0 0 252.354 3.115 10 30 CGEERN C=C[C@@H](CC(=O)O[C@@H](C)COCC)c1ccccc1 ZINC000190751001 619714711 /nfs/dbraw/zinc/71/47/11/619714711.db2.gz QRMOUPYNFOVOEO-KBPBESRZSA-N 0 0 262.349 3.315 10 30 CGEERN C#CCC(C)(C)C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000185973678 625498698 /nfs/dbraw/zinc/49/86/98/625498698.db2.gz HMHIDFXBPGHJFQ-HNNXBMFYSA-N 0 0 273.351 3.369 10 30 CGEERN C#CC[C@H](OC(=O)Cc1cccc(F)c1)c1ccccn1 ZINC000172027128 623209963 /nfs/dbraw/zinc/20/99/63/623209963.db2.gz WWAJNJBBZRTBQQ-INIZCTEOSA-N 0 0 283.302 3.071 10 30 CGEERN N#C[C@@H](COC(=O)Cc1cccc(F)c1)Cc1ccccc1 ZINC000175377334 624632726 /nfs/dbraw/zinc/63/27/26/624632726.db2.gz DNUJVYAYLHFAKN-INIZCTEOSA-N 0 0 297.329 3.294 10 30 CGEERN C#Cc1cccc(N(C)CC(=O)Nc2cccc(C)c2)c1 ZINC000103146768 626239548 /nfs/dbraw/zinc/23/95/48/626239548.db2.gz NAMKTWVQZRJYIS-UHFFFAOYSA-N 0 0 278.355 3.051 10 30 CGEERN CCCCCCCCC(=O)N1C[C@H](C)[C@H](C(=O)OC)C1 ZINC000128956908 636101069 /nfs/dbraw/zinc/10/10/69/636101069.db2.gz JGWHDCYYAVEIFY-UONOGXRCSA-N 0 0 283.412 3.005 10 30 CGEERN C#CCN1C[C@H](c2ccccc2Cl)OCC1(C)C ZINC000111308713 637838042 /nfs/dbraw/zinc/83/80/42/637838042.db2.gz DROZSFLMZZTTLE-CQSZACIVSA-N 0 0 263.768 3.125 10 30 CGEERN C#CCCCC(=O)O[C@H](c1nc(C)cs1)C(F)(F)F ZINC000192372160 640367063 /nfs/dbraw/zinc/36/70/63/640367063.db2.gz WUOGKHJCQCXVBC-SNVBAGLBSA-N 0 0 291.294 3.402 10 30 CGEERN COc1ccc(O)cc1C(=O)/C=C\c1cccnc1C ZINC000588409653 799690125 /nfs/dbraw/zinc/69/01/25/799690125.db2.gz FCYNFNHMSRPIAP-ALCCZGGFSA-N 0 0 269.300 3.000 10 30 CGEERN C=C[C@@](C)(CCOC)COC(=O)/C=C\c1ncccc1C ZINC000588552080 799710325 /nfs/dbraw/zinc/71/03/25/799710325.db2.gz IMFCUWGSKBVXLJ-JJEJIETFSA-N 0 0 289.375 3.175 10 30 CGEERN N#Cc1cccc(N[C@@H]2CCC[C@H]3C[C@H]32)c1[N+](=O)[O-] ZINC000591990627 346953619 /nfs/dbraw/zinc/95/36/19/346953619.db2.gz LFVMRMNSAYWELV-MVWJERBFSA-N 0 0 257.293 3.067 10 30 CGEERN C[C@@](C#N)(CCN1CCOCC1)c1cccc2ccccc21 ZINC000031622924 344927555 /nfs/dbraw/zinc/92/75/55/344927555.db2.gz GAHYKZLSBRYVAW-IBGZPJMESA-N 0 0 294.398 3.343 10 30 CGEERN O=C(/C=C/c1ccccc1)[C@@H]1O[C@@H]1c1ccccc1 ZINC000034485875 344939661 /nfs/dbraw/zinc/93/96/61/344939661.db2.gz YJSQWGOYKMBMTF-SFDDJJRUSA-N 0 0 250.297 3.409 10 30 CGEERN COc1ccc(CC#N)cc1OCCc1ccccc1 ZINC000034437946 344939878 /nfs/dbraw/zinc/93/98/78/344939878.db2.gz QALPMFFTYZPPAA-UHFFFAOYSA-N 0 0 267.328 3.383 10 30 CGEERN CC[C@H](C#N)C(=O)c1cc(Br)ccc1F ZINC000036916059 344945605 /nfs/dbraw/zinc/94/56/05/344945605.db2.gz RRZMSJFBPSAXOI-SSDOTTSWSA-N 0 0 270.101 3.321 10 30 CGEERN N#CCNc1cc(Br)ccc1Br ZINC000042578408 344985021 /nfs/dbraw/zinc/98/50/21/344985021.db2.gz ZSXLIESFTGTYLQ-UHFFFAOYSA-N 0 0 289.958 3.147 10 30 CGEERN O=C(CN=C1CCc2ccccc2N1)c1ccccc1 ZINC000048554765 345068222 /nfs/dbraw/zinc/06/82/22/345068222.db2.gz CZOXPHIPOQXEFO-UHFFFAOYSA-N 0 0 264.328 3.326 10 30 CGEERN C[C@H](C#N)NC(=O)c1sc2cc(F)ccc2c1Cl ZINC000068925396 345368456 /nfs/dbraw/zinc/36/84/56/345368456.db2.gz LTQXBLMYRRMWQY-ZCFIWIBFSA-N 0 0 282.727 3.336 10 30 CGEERN N#Cc1cc(F)c(N2C[C@@H]3CC=CC[C@H]3C2)c(F)c1 ZINC000078370625 345604407 /nfs/dbraw/zinc/60/44/07/345604407.db2.gz VAJVGJGJDQAPHH-RYUDHWBXSA-N 0 0 260.287 3.239 10 30 CGEERN COC(=O)c1nc(C2CC2)sc1-c1ccc(C#N)cc1 ZINC000115324738 345971411 /nfs/dbraw/zinc/97/14/11/345971411.db2.gz CKJSIXYHORRIEX-UHFFFAOYSA-N 0 0 284.340 3.346 10 30 CGEERN CC(C)c1cc2ncc(C#Cc3ccccc3)cn2n1 ZINC000117737325 345985780 /nfs/dbraw/zinc/98/57/80/345985780.db2.gz RVSGFWPTABYFNI-UHFFFAOYSA-N 0 0 261.328 3.253 10 30 CGEERN Cc1ccc(C(=O)C[C@H](C)C#N)c(Br)c1 ZINC000129677867 346050994 /nfs/dbraw/zinc/05/09/94/346050994.db2.gz IQQSWKSTPJCLDG-VIFPVBQESA-N 0 0 266.138 3.490 10 30 CGEERN CC1(Nc2ccc(C#N)cc2Br)CC1 ZINC000135572330 346088687 /nfs/dbraw/zinc/08/86/87/346088687.db2.gz SKBBBGGEXKXTGW-UHFFFAOYSA-N 0 0 251.127 3.285 10 30 CGEERN COc1ccc2c(c1)[C@@H](C#N)Cc1ccccc1C2=O ZINC000136801546 346092757 /nfs/dbraw/zinc/09/27/57/346092757.db2.gz REBRRFKTKQWCJA-GFCCVEGCSA-N 0 0 263.296 3.089 10 30 CGEERN Cc1ccc(S(=O)(=O)OCCCCCCF)cc1 ZINC000139040947 346098601 /nfs/dbraw/zinc/09/86/01/346098601.db2.gz IQNJDFRJFVXAPL-UHFFFAOYSA-N 0 0 274.357 3.230 10 30 CGEERN C/[N+]([O-])=C\CC(=O)c1ccc(-c2ccccc2)cc1 ZINC000140373015 346103694 /nfs/dbraw/zinc/10/36/94/346103694.db2.gz WFKMEQZYNUNEFY-SFQUDFHCSA-N 0 0 254.309 3.029 10 30 CGEERN C=CCOCC(O)(c1ccccc1)c1ccccc1 ZINC000142359415 346111334 /nfs/dbraw/zinc/11/13/34/346111334.db2.gz CKLGUHCSOUJTJS-UHFFFAOYSA-N 0 0 254.329 3.125 10 30 CGEERN CS(=O)(=O)OCCC(c1ccccc1)c1ccccc1 ZINC000143391295 346114336 /nfs/dbraw/zinc/11/43/36/346114336.db2.gz AIKXLIHZPRMJFT-UHFFFAOYSA-N 0 0 290.384 3.185 10 30 CGEERN CC/C=C\CCOS(=O)(=O)c1ccc(C)cc1 ZINC000146607061 346124445 /nfs/dbraw/zinc/12/44/45/346124445.db2.gz PTCRTTULASBLSJ-PLNGDYQASA-N 0 0 254.351 3.057 10 30 CGEERN CC#CCC[C@@H](O)c1ccc(Br)cc1 ZINC000160965160 346173580 /nfs/dbraw/zinc/17/35/80/346173580.db2.gz YZRFVRGYLUIJCG-GFCCVEGCSA-N 0 0 253.139 3.286 10 30 CGEERN O=C(c1csc(Br)c1)C1=COCCC1 ZINC000161910651 346177115 /nfs/dbraw/zinc/17/71/15/346177115.db2.gz KZGSKMRTANHYNE-UHFFFAOYSA-N 0 0 273.151 3.388 10 30 CGEERN C=C(Cl)CNc1nc(Br)cs1 ZINC000168012900 346189907 /nfs/dbraw/zinc/18/99/07/346189907.db2.gz OHNVGULBUVSKLT-UHFFFAOYSA-N 0 0 253.552 3.070 10 30 CGEERN C=C(Br)CNc1cc(C)ccc1C#N ZINC000168315019 346190193 /nfs/dbraw/zinc/19/01/93/346190193.db2.gz OYKFLTJHIZEMJF-UHFFFAOYSA-N 0 0 251.127 3.187 10 30 CGEERN N#Cc1cccc(CCC(=O)c2cccc(C#N)c2)c1 ZINC000213627320 346287822 /nfs/dbraw/zinc/28/78/22/346287822.db2.gz AMXQGYWSZFIFCJ-UHFFFAOYSA-N 0 0 260.296 3.245 10 30 CGEERN C#CC[C@@H](C)Nc1ncc(Br)cc1Cl ZINC000235444387 346335134 /nfs/dbraw/zinc/33/51/34/346335134.db2.gz VQGNGOONSWDPSE-SSDOTTSWSA-N 0 0 273.561 3.321 10 30 CGEERN C=CC[C@@H](O)c1ccc(F)c(F)c1Br ZINC000231867910 346323704 /nfs/dbraw/zinc/32/37/04/346323704.db2.gz ZZQSETVLDGYSNC-MRVPVSSYSA-N 0 0 263.081 3.337 10 30 CGEERN C=C(C)C(=O)c1ccc(F)c(F)c1Br ZINC000231866816 346324201 /nfs/dbraw/zinc/32/42/01/346324201.db2.gz HQDOIZIWUBCWEE-UHFFFAOYSA-N 0 0 261.065 3.486 10 30 CGEERN Nc1ccc(C(=O)/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000098089059 185685590 /nfs/dbraw/zinc/68/55/90/185685590.db2.gz DIOHYNMOEIHTET-YFHOEESVSA-N 0 0 268.272 3.073 10 30 CGEERN COc1cc(C=Nc2ccc(NC(C)=O)cc2)ccc1O ZINC000254765713 346395762 /nfs/dbraw/zinc/39/57/62/346395762.db2.gz HVTBCLPUDQAKQR-UHFFFAOYSA-N 0 0 284.315 3.110 10 30 CGEERN C=CCNc1ccc(C)c(I)c1 ZINC000300942974 346439321 /nfs/dbraw/zinc/43/93/21/346439321.db2.gz KLSNKNHFBQSJFL-UHFFFAOYSA-N 0 0 273.117 3.198 10 30 CGEERN CC=C=CC(=O)c1cc(Br)ccc1OC ZINC000306343283 346452895 /nfs/dbraw/zinc/45/28/95/346452895.db2.gz LGDDLLBOTZUMEN-UHFFFAOYSA-N 0 0 267.122 3.054 10 30 CGEERN Nc1cc(C(F)(F)F)c(F)cc1OC(F)(F)F ZINC000514264286 346636427 /nfs/dbraw/zinc/63/64/27/346636427.db2.gz DMKGFQOQBAFOFQ-UHFFFAOYSA-N 0 0 263.112 3.325 10 30 CGEERN N#C[C@H](c1cc(F)cc(F)c1)[C@@H](CCO)c1cncs1 ZINC000584639291 346702197 /nfs/dbraw/zinc/70/21/97/346702197.db2.gz MERULVMTIVWZPZ-CHWSQXEVSA-N 0 0 294.326 3.195 10 30 CGEERN N#C[C@@H](c1ccccc1F)[C@H](CCO)c1cncs1 ZINC000584639209 346702334 /nfs/dbraw/zinc/70/23/34/346702334.db2.gz BLPSCYFVZPLWEQ-RYUDHWBXSA-N 0 0 276.336 3.056 10 30 CGEERN N#CC[C@H](O)Cc1ccc(Oc2ccccc2)cc1 ZINC000584594652 346686459 /nfs/dbraw/zinc/68/64/59/346686459.db2.gz QIPUSOJFWJGUSY-AWEZNQCLSA-N 0 0 253.301 3.296 10 30 CGEERN COC(=O)c1cc(Cl)cc(C#C[Si](C)(C)C)c1 ZINC000584597798 346688300 /nfs/dbraw/zinc/68/83/00/346688300.db2.gz MVSRLTZAADSMTE-UHFFFAOYSA-N 0 0 266.800 3.356 10 30 CGEERN CC#Cc1cnc(-n2ccc3ccncc32)cc1CF ZINC000584620263 346695205 /nfs/dbraw/zinc/69/52/05/346695205.db2.gz XHFYDOHDCQYPDH-UHFFFAOYSA-N 0 0 265.291 3.261 10 30 CGEERN C=C[C@]1(O)c2ccccc2CC[C@@H]1c1cccnc1 ZINC000584620720 346695826 /nfs/dbraw/zinc/69/58/26/346695826.db2.gz PYWQOVPNJCCXNA-SJORKVTESA-N 0 0 251.329 3.185 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NCc1c(F)ccc(F)c1Cl ZINC000600145995 347784547 /nfs/dbraw/zinc/78/45/47/347784547.db2.gz SYFNBERYELXXKI-QPUJVOFHSA-N 0 0 270.710 3.400 10 30 CGEERN O=COCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000103542735 185849376 /nfs/dbraw/zinc/84/93/76/185849376.db2.gz BXBMJDMXOHONJT-UHFFFAOYSA-N 0 0 292.097 3.018 10 30 CGEERN CC[C@H](CC(=O)N[C@H]1CCC[C@H]1C#N)C(C)(C)C ZINC000601273718 347887814 /nfs/dbraw/zinc/88/78/14/347887814.db2.gz MRNQVYQBEDFQGM-XQQFMLRXSA-N 0 0 250.386 3.257 10 30 CGEERN C=C[C@H](O)C#CC#C[C@H]1O[C@H]1CCCCCCCC ZINC000299817847 290861304 /nfs/dbraw/zinc/86/13/04/290861304.db2.gz WZBQKUWMBGOAGV-YESZJQIVSA-N 0 0 260.377 3.058 10 30 biogenic CGEERN CCc1c(Cl)ncnc1Oc1ccc(C#N)cc1 ZINC000104227772 185936520 /nfs/dbraw/zinc/93/65/20/185936520.db2.gz USHJLLDFNKYQBS-UHFFFAOYSA-N 0 0 259.696 3.356 10 30 CGEERN C[C@H]1C[C@@H]1CN(C)c1c(C#N)cnc2ccccc21 ZINC000104422243 185996523 /nfs/dbraw/zinc/99/65/23/185996523.db2.gz RIDBEANCJDJJOE-NWDGAFQWSA-N 0 0 251.333 3.199 10 30 CGEERN C[C@H]1OCC[C@H]1Nc1ccc(C(F)(F)F)cc1C#N ZINC000149797166 187923374 /nfs/dbraw/zinc/92/33/74/187923374.db2.gz BSIPNJHEQWZARI-LDYMZIIASA-N 0 0 270.254 3.166 10 30 CGEERN Cc1cc(CSCc2cc(C#N)ccc2F)no1 ZINC000105626132 138352654 /nfs/dbraw/zinc/35/26/54/138352654.db2.gz JNIHBJATYQBQNN-UHFFFAOYSA-N 0 0 262.309 3.427 10 30 CGEERN N#Cc1nccc2c(F)c(Br)ccc12 ZINC000521402234 283253392 /nfs/dbraw/zinc/25/33/92/283253392.db2.gz YJALSWHOBXPQTA-UHFFFAOYSA-N 0 0 251.058 3.008 10 30 CGEERN CCS[C@@H]1CC[C@@]1(O)CNc1cc(Cl)ccc1C#N ZINC000301488051 201025672 /nfs/dbraw/zinc/02/56/72/201025672.db2.gz IYCNTHMHJGHGBH-ZIAGYGMSSA-N 0 0 296.823 3.270 10 30 CGEERN Cc1ccc(NCc2ccnc(OCC3CC3)c2)nc1C#N ZINC000302692929 201514241 /nfs/dbraw/zinc/51/42/41/201514241.db2.gz ZZROYYOHSUCWCI-UHFFFAOYSA-N 0 0 294.358 3.058 10 30 CGEERN CC(C)C1=Cc2ccc3c(c2C(=O)C1=O)CCCC3 ZINC000001626015 368425411 /nfs/dbraw/zinc/42/54/11/368425411.db2.gz VPXFMBKWKKHRPD-UHFFFAOYSA-N 0 0 254.329 3.370 10 30 CGEERN C=CCNC(=S)N=NCc1ccc(C(F)(F)F)cc1 ZINC000013687081 368662250 /nfs/dbraw/zinc/66/22/50/368662250.db2.gz DPENFQFKWBCPJX-CAOOACKPSA-N 0 0 287.310 3.101 10 30 CGEERN Cc1ccc([C@@H]2C[C@@H](C)CCN2c2cnc(C#N)cn2)o1 ZINC000125997183 370943168 /nfs/dbraw/zinc/94/31/68/370943168.db2.gz NDSHKNPSRWNMFO-FZMZJTMJSA-N 0 0 282.347 3.227 10 30 CGEERN CC(C)(C)CC(C)(C)N=C(NC#N)Nc1ccncc1 ZINC000026576655 368862409 /nfs/dbraw/zinc/86/24/09/368862409.db2.gz KWLXFIVZLFBUDA-UHFFFAOYSA-N 0 0 273.384 3.135 10 30 CGEERN C[C@@H](NNC(=S)N(C)C1CCCCC1)c1ccccn1 ZINC000027309708 368870071 /nfs/dbraw/zinc/87/00/71/368870071.db2.gz OSBQYUWNOCREFO-GFCCVEGCSA-N 0 0 292.452 3.198 10 30 CGEERN CCOc1ccc(C#N)cc1NC(=O)N[C@@H](C)C(C)C ZINC000048955571 369376468 /nfs/dbraw/zinc/37/64/68/369376468.db2.gz CQKMJFXWEXWDAA-NSHDSACASA-N 0 0 275.352 3.123 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NCc1ccccc1Br ZINC000054826350 369507219 /nfs/dbraw/zinc/50/72/19/369507219.db2.gz CCSWOHIQXMGTCK-MFKMUULPSA-N 0 0 279.181 3.231 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NCc1ccc(C(F)(F)F)cc1 ZINC000061626785 369604478 /nfs/dbraw/zinc/60/44/78/369604478.db2.gz GAVXMSFENQKSKF-WCQYABFASA-N 0 0 268.282 3.487 10 30 CGEERN Cc1ccc([C@@H](C)NC(=O)Nc2ccc(F)c(C#N)c2)o1 ZINC000102955741 370316282 /nfs/dbraw/zinc/31/62/82/370316282.db2.gz IHMGNRXCGBUASN-SNVBAGLBSA-N 0 0 287.294 3.482 10 30 CGEERN C[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1cccc(C#N)c1 ZINC000117566456 370594449 /nfs/dbraw/zinc/59/44/49/370594449.db2.gz DQYDGXFOHXSAJS-BDJLRTHQSA-N 0 0 278.311 3.061 10 30 CGEERN C=CCCCN(C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000172348352 372945728 /nfs/dbraw/zinc/94/57/28/372945728.db2.gz SWDVWUPUJXJZJD-AWEZNQCLSA-N 0 0 274.364 3.118 10 30 CGEERN N#Cc1cccc(/C=C/C(=O)N2CCC3(CCCC3)C2)c1 ZINC000173749790 373184423 /nfs/dbraw/zinc/18/44/23/373184423.db2.gz SCRWFNWDDZOHSR-VOTSOKGWSA-N 0 0 280.371 3.364 10 30 CGEERN N#Cc1cccnc1N1CCC[C@@H](COc2ccccc2)C1 ZINC000301258741 373716335 /nfs/dbraw/zinc/71/63/35/373716335.db2.gz CETMIPPBGTWIHU-OAHLLOKOSA-N 0 0 293.370 3.249 10 30 CGEERN C[C@@H]1C[C@H](C(=O)Nc2ccc(C#N)cn2)CC(C)(C)C1 ZINC000180173089 373973451 /nfs/dbraw/zinc/97/34/51/373973451.db2.gz GSBNLDVAJGOXHF-YPMHNXCESA-N 0 0 271.364 3.354 10 30 CGEERN COCCc1nsc(Oc2ccc(C#N)c(Cl)c2)n1 ZINC000302837960 373981159 /nfs/dbraw/zinc/98/11/59/373981159.db2.gz YDGZXYIQJJFXAU-UHFFFAOYSA-N 0 0 295.751 3.044 10 30 CGEERN C#Cc1cccc(NC(=O)N2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000180621984 374028114 /nfs/dbraw/zinc/02/81/14/374028114.db2.gz GPRMVIRVJOFSBE-INIZCTEOSA-N 0 0 294.358 3.150 10 30 CGEERN CCc1ncc(C(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)[nH]1 ZINC000328612554 374371150 /nfs/dbraw/zinc/37/11/50/374371150.db2.gz PCPQMAGTUUVCML-CZUORRHYSA-N 0 0 299.374 3.055 10 30 CGEERN C[C@H](C(=O)N[C@H]1CCC(=O)NC12CCC2)C1CC1 ZINC000328743154 374378609 /nfs/dbraw/zinc/37/86/09/374378609.db2.gz NFRQWMGLPKKTEU-ONGXEEELSA-N 0 0 250.342 3.031 10 30 CGEERN C[C@@H]1CC[C@H](CCC(=O)N[C@H]2CCC(=O)NC23CCC3)O1 ZINC000328751802 374380475 /nfs/dbraw/zinc/38/04/75/374380475.db2.gz RELIXPGFSUUNNZ-UPJWGTAASA-N 0 0 294.395 3.332 10 30 CGEERN NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)C[C@H]1CCCCNC1=O ZINC000329793119 374430095 /nfs/dbraw/zinc/43/00/95/374430095.db2.gz ASSRMSJAOUAAMA-UTUOFQBUSA-N 0 0 295.383 3.184 10 30 CGEERN C=C(C)C[C@H](C)C(=O)N1CCc2c(nc(C(C)C)n2C)C1 ZINC000185545465 374684428 /nfs/dbraw/zinc/68/44/28/374684428.db2.gz MJFVKZWYXCYQTR-ZDUSSCGKSA-N 0 0 289.423 3.031 10 30 CGEERN C=CC[C@@H](C)[C@H](C)Nc1cnn(-c2ncccc2C#N)c1 ZINC000186001047 374783724 /nfs/dbraw/zinc/78/37/24/374783724.db2.gz CYMNLKRWQHMLNU-OLZOCXBDSA-N 0 0 281.363 3.152 10 30 CGEERN CN(C(=O)N[C@H]1CCC[C@H]1C#N)C1CCCCCC1 ZINC000336033210 375634853 /nfs/dbraw/zinc/63/48/53/375634853.db2.gz SICURXHDBMKNNM-JSGCOSHPSA-N 0 0 263.385 3.043 10 30 CGEERN C#CCCCC(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000192163535 375705920 /nfs/dbraw/zinc/70/59/20/375705920.db2.gz VFYOMFLOKLSFJK-OAHLLOKOSA-N 0 0 291.778 3.123 10 30 CGEERN CCc1ccc(CNc2nnc(C)c(C)c2C#N)cc1 ZINC000223978621 376269949 /nfs/dbraw/zinc/26/99/49/376269949.db2.gz PLSNOEGHUHMXSW-UHFFFAOYSA-N 0 0 266.348 3.140 10 30 CGEERN C[C@H]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(C#N)n2)C1 ZINC000235632868 376646502 /nfs/dbraw/zinc/64/65/02/376646502.db2.gz RDRXFFXHKIBHBC-WDEREUQCSA-N 0 0 274.324 3.100 10 30 CGEERN C[C@H]1c2ccccc2O[C@@H]1C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 ZINC000246615046 377062708 /nfs/dbraw/zinc/06/27/08/377062708.db2.gz AYXXZXQGQRXWCC-IHHFWDAISA-N 0 0 298.386 3.140 10 30 CGEERN COC(=O)c1c(F)cc(C#N)cc1SC(F)(F)F ZINC000575390690 377900307 /nfs/dbraw/zinc/90/03/07/377900307.db2.gz QGMRZUDWZIKUBL-UHFFFAOYSA-N 0 0 279.214 3.096 10 30 CGEERN COC(=O)c1c(C#N)ccc(C(F)(F)F)c1C(F)F ZINC000575344037 377883675 /nfs/dbraw/zinc/88/36/75/377883675.db2.gz MYHPLVCEWQZNLB-UHFFFAOYSA-N 0 0 279.164 3.301 10 30 CGEERN O=C1Nc2c(O)cc(Cl)cc2[C@@H](C#CC2CC2)O1 ZINC000575346662 377884828 /nfs/dbraw/zinc/88/48/28/377884828.db2.gz AHVCECYOEDDDSM-LLVKDONJSA-N 0 0 263.680 3.062 10 30 CGEERN CCOC(=O)c1cc(C#N)cc(SC(F)(F)F)c1F ZINC000575390601 377898996 /nfs/dbraw/zinc/89/89/96/377898996.db2.gz DKEJVUVCASJMFB-UHFFFAOYSA-N 0 0 293.241 3.486 10 30 CGEERN COC(=O)c1cc(C(F)(F)F)c(C#N)cc1Cl ZINC000575383496 377893816 /nfs/dbraw/zinc/89/38/16/377893816.db2.gz XRQFONQHSYKYBS-UHFFFAOYSA-N 0 0 263.602 3.017 10 30 CGEERN CCOC(=O)c1c(C#N)c(Cl)ccc1C(F)(F)F ZINC000575383250 377893861 /nfs/dbraw/zinc/89/38/61/377893861.db2.gz LENHCVGUKXXGBC-UHFFFAOYSA-N 0 0 277.629 3.407 10 30 CGEERN CCOC(=O)c1cc(OC(F)F)c(C(F)F)cc1C#N ZINC000575385452 377894912 /nfs/dbraw/zinc/89/49/12/377894912.db2.gz RJSHAJUJBDCXQJ-UHFFFAOYSA-N 0 0 291.200 3.274 10 30 CGEERN CCOC(=O)c1c(C(F)F)ccc(C#N)c1OC(F)F ZINC000575385394 377895151 /nfs/dbraw/zinc/89/51/51/377895151.db2.gz OBGBAYWUWBXTCO-UHFFFAOYSA-N 0 0 291.200 3.274 10 30 CGEERN CCOC(=O)c1cc(CC)cc(OC(F)(F)F)c1C#N ZINC000575389086 377896158 /nfs/dbraw/zinc/89/61/58/377896158.db2.gz WQHVRDYCTXRVEV-UHFFFAOYSA-N 0 0 287.237 3.196 10 30 CGEERN COC(=O)Cc1ccc(C(F)F)c(C(F)(F)F)c1C#N ZINC000575387631 377896520 /nfs/dbraw/zinc/89/65/20/377896520.db2.gz SRKDFQBEDJHPLK-UHFFFAOYSA-N 0 0 293.191 3.230 10 30 CGEERN CCOC(=O)c1cc(SC(F)(F)F)cc(C#N)c1O ZINC000575392250 377899872 /nfs/dbraw/zinc/89/98/72/377899872.db2.gz PMXZZJUEZIDLCZ-UHFFFAOYSA-N 0 0 291.250 3.052 10 30 CGEERN N#CCc1c(C#N)cc(OC(F)F)cc1OC(F)(F)F ZINC000575640050 377925121 /nfs/dbraw/zinc/92/51/21/377925121.db2.gz LZXMHMPOHNXUTM-UHFFFAOYSA-N 0 0 292.163 3.124 10 30 CGEERN COc1cc(OC(F)F)c(C(F)F)cc1CC#N ZINC000575651912 377929423 /nfs/dbraw/zinc/92/94/23/377929423.db2.gz GTEKXPZCDAUNRR-UHFFFAOYSA-N 0 0 263.190 3.300 10 30 CGEERN N#CCc1cc(OC(F)F)c(O)c(C(F)(F)F)c1 ZINC000575662330 377938529 /nfs/dbraw/zinc/93/85/29/377938529.db2.gz WWTNIJLDHUIUEH-UHFFFAOYSA-N 0 0 267.153 3.078 10 30 CGEERN Cc1cc(OC(F)F)cc(OC(F)(F)F)c1C#N ZINC000575665624 377942983 /nfs/dbraw/zinc/94/29/83/377942983.db2.gz RNDVKZSRMSQUEY-UHFFFAOYSA-N 0 0 267.153 3.367 10 30 CGEERN Cc1cc(OC(F)F)c(Br)cc1CC#N ZINC000575683166 377956800 /nfs/dbraw/zinc/95/68/00/377956800.db2.gz LALMZFHMUAVZON-UHFFFAOYSA-N 0 0 276.080 3.425 10 30 CGEERN CCOC(=O)c1c(C#N)cc(OCC)cc1C(F)(F)F ZINC000575670799 377947649 /nfs/dbraw/zinc/94/76/49/377947649.db2.gz MEUGEIRGXPKFKC-UHFFFAOYSA-N 0 0 287.237 3.152 10 30 CGEERN COC(=O)Cc1cc(C)cc(SC(F)(F)F)c1C#N ZINC000575395544 377904043 /nfs/dbraw/zinc/90/40/43/377904043.db2.gz GLXXEVYQDKPFCT-UHFFFAOYSA-N 0 0 289.278 3.194 10 30 CGEERN Nc1ccc(OC(F)(F)F)c(F)c1C(F)(F)F ZINC000575397356 377904816 /nfs/dbraw/zinc/90/48/16/377904816.db2.gz NVVOFIPILQONBJ-UHFFFAOYSA-N 0 0 263.112 3.325 10 30 CGEERN FC(F)(F)C(F)(c1cncnc1Cl)C(F)(F)F ZINC000575433953 377908673 /nfs/dbraw/zinc/90/86/73/377908673.db2.gz ZOHAVDDSXPNJGX-UHFFFAOYSA-N 0 0 282.546 3.419 10 30 CGEERN N#Cc1cc(F)cc(Br)c1C(F)(F)F ZINC000575689877 377964973 /nfs/dbraw/zinc/96/49/73/377964973.db2.gz JUMPAAOBZANLEY-UHFFFAOYSA-N 0 0 268.007 3.479 10 30 CGEERN N#Cc1cc(F)c(C(F)(F)F)cc1Br ZINC000575690074 377965648 /nfs/dbraw/zinc/96/56/48/377965648.db2.gz UYFPKMRLYQNZNP-UHFFFAOYSA-N 0 0 268.007 3.479 10 30 CGEERN CCOc1cc(CC#N)c(C(F)(F)F)c(OC)c1 ZINC000575698110 377970479 /nfs/dbraw/zinc/97/04/79/377970479.db2.gz BWMUOIYAPIKIBC-UHFFFAOYSA-N 0 0 259.227 3.179 10 30 CGEERN Oc1cc(F)c(C(F)(F)F)c(OC(F)(F)F)c1 ZINC000575704209 377976670 /nfs/dbraw/zinc/97/66/70/377976670.db2.gz MFBHXCAVHKXRCG-UHFFFAOYSA-N 0 0 264.096 3.449 10 30 CGEERN COc1ccc(COc2ccc(C#CC3CC3)nc2)cc1 ZINC000584648167 378396169 /nfs/dbraw/zinc/39/61/69/378396169.db2.gz BOCDXIXRQAUXAW-UHFFFAOYSA-N 0 0 279.339 3.431 10 30 CGEERN CC(C)[C@H](C)CC(=O)N1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000373378970 379270428 /nfs/dbraw/zinc/27/04/28/379270428.db2.gz UMGGJLYEAJDWIX-BFYDXBDKSA-N 0 0 292.423 3.122 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1cccc([C@H]2CCOC2)c1 ZINC000328911853 542445180 /nfs/dbraw/zinc/44/51/80/542445180.db2.gz OMUHVNFRBPJIFM-JYJNAYRXSA-N 0 0 284.359 3.187 10 30 CGEERN Cc1ccc2snc(C(=O)N[C@H]3CCC[C@H]3C#N)c2c1 ZINC000328917510 542445304 /nfs/dbraw/zinc/44/53/04/542445304.db2.gz RTWYAFTUOBQFHQ-JQWIXIFHSA-N 0 0 285.372 3.027 10 30 CGEERN C[C@@H]1C[C@@H](CNc2ccc(C#N)cc2F)C[C@H](C)O1 ZINC000281814505 195393830 /nfs/dbraw/zinc/39/38/30/195393830.db2.gz JJBWVTNAMJYOPC-PTEHBNRSSA-N 0 0 262.328 3.313 10 30 CGEERN C=C(C)CS(=O)(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000189762354 130019696 /nfs/dbraw/zinc/01/96/96/130019696.db2.gz JNUSBKIMVABYIF-WFASDCNBSA-N 0 0 279.405 3.121 10 30 CGEERN CC(=NC#N)N[C@@H]1c2ccccc2COc2ccccc21 ZINC000033995363 391973788 /nfs/dbraw/zinc/97/37/88/391973788.db2.gz BSCCCWBOAOHBBJ-QGZVFWFLSA-N 0 0 277.327 3.157 10 30 CGEERN CC(C)(C)[S@@](=O)/N=C\c1ccc(F)c(Cl)c1 ZINC000216608061 130757895 /nfs/dbraw/zinc/75/78/95/130757895.db2.gz GUDLTDKMESOPIZ-ACQAZONXSA-N 0 0 261.749 3.360 10 30 CGEERN C[C@H](c1ccc(C#N)cc1)N1CCO[C@@H](c2nccs2)C1 ZINC000246393760 131093884 /nfs/dbraw/zinc/09/38/84/131093884.db2.gz OPOZRNKNWXNJCT-IUODEOHRSA-N 0 0 299.399 3.149 10 30 CGEERN C=CCCCN(C)C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000135076375 392471711 /nfs/dbraw/zinc/47/17/11/392471711.db2.gz KLHIZRPKVCJJFB-OLZOCXBDSA-N 0 0 279.330 3.493 10 30 CGEERN CC1(C)CC[C@H](CNC(=O)C[C@H]2CCCCNC2=O)O1 ZINC000329531339 392685736 /nfs/dbraw/zinc/68/57/36/392685736.db2.gz WKOOWUCXSBCVCK-VXGBXAGGSA-N 0 0 282.384 3.047 10 30 CGEERN N#Cc1cc(Br)c(F)c(Br)c1F ZINC000306847833 392644246 /nfs/dbraw/zinc/64/42/46/392644246.db2.gz KNKGZTBDXMPUQO-UHFFFAOYSA-N 0 0 296.896 3.361 10 30 CGEERN C=C(C)C[C@H](C)C(=O)N1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000184507840 392763307 /nfs/dbraw/zinc/76/33/07/392763307.db2.gz DJKXICSNDBLKDE-KKUMJFAQSA-N 0 0 291.391 3.296 10 30 CGEERN C=CCC[C@H](Nc1cnn(-c2ncccc2C#N)c1)C1CC1 ZINC000186020482 392776548 /nfs/dbraw/zinc/77/65/48/392776548.db2.gz ZTVYJBOLILIQJT-INIZCTEOSA-N 0 0 293.374 3.296 10 30 CGEERN N#Cc1cnc2ccccc2c1N1C[C@H]2CCCC[C@H]21 ZINC000377977496 392890977 /nfs/dbraw/zinc/89/09/77/392890977.db2.gz NPBXZLVYGROOND-MLGOLLRUSA-N 0 0 263.344 3.485 10 30 CGEERN N#Cc1c(F)c(F)cc(Br)c1Br ZINC000306553684 397678295 /nfs/dbraw/zinc/67/82/95/397678295.db2.gz DQDUUVAHPUNKCK-UHFFFAOYSA-N 0 0 296.896 3.361 10 30 CGEERN C=CCNc1ccc(I)cc1C ZINC000307522994 397681038 /nfs/dbraw/zinc/68/10/38/397681038.db2.gz QCLAJTYAIVUDKM-UHFFFAOYSA-N 0 0 273.117 3.198 10 30 CGEERN COc1ccc(/C=N/c2ccc([N+](=O)[O-])cc2)cc1O ZINC000004956715 170045460 /nfs/dbraw/zinc/04/54/60/170045460.db2.gz IVJLREBOJYZYPH-OQLLNIDSSA-N 0 0 272.260 3.060 10 30 CGEERN N#CCSc1ccc(-c2ccc(Cl)cc2)nn1 ZINC000005410523 170095536 /nfs/dbraw/zinc/09/55/36/170095536.db2.gz WVADWQLDDIPYPK-UHFFFAOYSA-N 0 0 261.737 3.413 10 30 CGEERN C=CCOc1ccccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000009814937 170386035 /nfs/dbraw/zinc/38/60/35/170386035.db2.gz NNIHTKLJTMZCML-UHFFFAOYSA-N 0 0 298.298 3.412 10 30 CGEERN Cc1ccc(OCCn2c(C)cc(C)c(C#N)c2=O)cc1C ZINC000016312624 170693136 /nfs/dbraw/zinc/69/31/36/170693136.db2.gz DQNDFOSVKVPCSK-UHFFFAOYSA-N 0 0 296.370 3.033 10 30 CGEERN CCOc1cccc(C[C@@H](C=O)c2nccs2)c1 ZINC000019729726 170846292 /nfs/dbraw/zinc/84/62/92/170846292.db2.gz ZSUHWLQZDZIWJF-LBPRGKRZSA-N 0 0 261.346 3.067 10 30 CGEERN CN[C@@H](c1ccc(F)cc1F)C(F)(F)C(F)(F)F ZINC000035491572 172225912 /nfs/dbraw/zinc/22/59/12/172225912.db2.gz DQRDSMMDZZRVLE-QMMMGPOBSA-N 0 0 275.167 3.423 10 30 CGEERN N#Cc1ccc(OCc2cc(N)ccc2Cl)cc1 ZINC000037403315 173179733 /nfs/dbraw/zinc/17/97/33/173179733.db2.gz ZISBVADCTMRALG-UHFFFAOYSA-N 0 0 258.708 3.373 10 30 CGEERN COc1cc(N[C@@H](C)CC#N)c(OC)cc1Cl ZINC000037871145 173816835 /nfs/dbraw/zinc/81/68/35/173816835.db2.gz AGLRYQFENYJFHF-QMMMGPOBSA-N 0 0 254.717 3.071 10 30 CGEERN N#C[C@H](NCC1CC1)c1ccccc1OC(F)(F)F ZINC000037946787 173888507 /nfs/dbraw/zinc/88/85/07/173888507.db2.gz KQIDQAGAYDHKKB-NSHDSACASA-N 0 0 270.254 3.149 10 30 CGEERN CC(C)[C@@H]1CC[C@@H](C)C[C@]1(C#N)NCC(F)(F)F ZINC000037970947 173921634 /nfs/dbraw/zinc/92/16/34/173921634.db2.gz LKGDPJAAVYGEJL-GRYCIOLGSA-N 0 0 262.319 3.493 10 30 CGEERN CC1(C)OC(c2ccc(Br)cc2)=CC1=O ZINC000040505871 174302384 /nfs/dbraw/zinc/30/23/84/174302384.db2.gz LBIVXYKUSSMCGD-UHFFFAOYSA-N 0 0 267.122 3.168 10 30 CGEERN C=CCNc1ncnc(Nc2ccc(C)cc2)c1[N+](=O)[O-] ZINC000040598756 174349710 /nfs/dbraw/zinc/34/97/10/174349710.db2.gz FQUBMHFSHWKZQM-UHFFFAOYSA-N 0 0 285.307 3.035 10 30 CGEERN N#CCCN(Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000042531047 174781342 /nfs/dbraw/zinc/78/13/42/174781342.db2.gz BRKDLMWYCNSGGV-UHFFFAOYSA-N 0 0 279.727 3.126 10 30 CGEERN CCCCCCCCC[C@@H]1[NH2+][C@H](C(=O)[O-])CS1 ZINC000043919987 175125682 /nfs/dbraw/zinc/12/56/82/175125682.db2.gz ADAICNXXCJLEEG-NWDGAFQWSA-N 0 0 259.415 3.243 10 30 CGEERN N#Cc1ccc(Cc2coc3ccccc3c2=O)cc1 ZINC000044604443 175216000 /nfs/dbraw/zinc/21/60/00/175216000.db2.gz SFKYRWANFXDKGR-UHFFFAOYSA-N 0 0 261.280 3.255 10 30 CGEERN N#C[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1F ZINC000044811077 175257841 /nfs/dbraw/zinc/25/78/41/175257841.db2.gz RGLMXICMDKMOQS-CYBMUJFWSA-N 0 0 268.291 3.147 10 30 CGEERN C[C@@H](Cc1cccs1)Nc1ccc(N)cc1C#N ZINC000071269914 176103608 /nfs/dbraw/zinc/10/36/08/176103608.db2.gz FQPFOEWEQCGRDF-JTQLQIEISA-N 0 0 257.362 3.245 10 30 CGEERN Cn1c(Cl)c(C#N)c2cc(Br)ccc21 ZINC000071465462 176181563 /nfs/dbraw/zinc/18/15/63/176181563.db2.gz SALGUDLAPVMDSV-UHFFFAOYSA-N 0 0 269.529 3.466 10 30 CGEERN O=C(NC(C1CCC1)C1CCC1)N[C@H]1CCCC[C@H]1CO ZINC000329310882 227430264 /nfs/dbraw/zinc/43/02/64/227430264.db2.gz QYPCNKYJFZYRSH-GJZGRUSLSA-N 0 0 294.439 3.010 10 30 CGEERN C[C@H](OC1CCCCCC1)C(=O)N[C@@H]1CCC(=O)NC1 ZINC000329962324 227999501 /nfs/dbraw/zinc/99/95/01/227999501.db2.gz SPWCTTBTSRFLFQ-NWDGAFQWSA-N 0 0 282.384 3.190 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc2c(c1)CCCC2 ZINC000333725633 228211595 /nfs/dbraw/zinc/21/15/95/228211595.db2.gz VWOIBZWRHRANDF-HOCLYGCPSA-N 0 0 283.375 3.379 10 30 CGEERN CC#CCN[C@@H](C)c1ccccc1Br ZINC000088162702 260278626 /nfs/dbraw/zinc/27/86/26/260278626.db2.gz QKPAONOKZIUAEM-JTQLQIEISA-N 0 0 252.155 3.123 10 30 CGEERN C[C@@H](CC#N)N(C)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000103443650 261283101 /nfs/dbraw/zinc/28/31/01/261283101.db2.gz ABJOIVGGHSTSAA-ZDUSSCGKSA-N 0 0 288.391 3.123 10 30 CGEERN CCC[C@@H]1C[C@@H]1NC(=O)N[C@H]1CCCC12CCOCC2 ZINC000328675482 263837724 /nfs/dbraw/zinc/83/77/24/263837724.db2.gz QVNLUGDICAYTKY-RDBSUJKOSA-N 0 0 280.412 3.028 10 30 CGEERN Cc1ncsc1NC(=O)C[C@@H]1CCCCC(=O)N1 ZINC000328767622 263858391 /nfs/dbraw/zinc/85/83/91/263858391.db2.gz FTKCOUPYFMJWOH-VIFPVBQESA-N 0 0 267.354 3.329 10 30 CGEERN C#CCCCCC(=O)N1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000180291617 264396855 /nfs/dbraw/zinc/39/68/55/264396855.db2.gz ABMFWRNNVGBBGP-CYBMUJFWSA-N 0 0 289.379 3.050 10 30 CGEERN CC(C)(C)OC(=O)N1CC[C@]2(CC[C@H](CS)C2)C1 ZINC000095084647 278413650 /nfs/dbraw/zinc/41/36/50/278413650.db2.gz GBTFOCOZERFEOQ-FZMZJTMJSA-N 0 0 271.426 3.344 10 30 CGEERN C[C@@H]1c2ccsc2CCN1c1ccc(C#N)cn1 ZINC000049957138 279144318 /nfs/dbraw/zinc/14/43/18/279144318.db2.gz LYMQRMYHHQTWRI-SNVBAGLBSA-N 0 0 255.346 3.138 10 30 CGEERN CC(C)NC(=S)N/N=C1\C[C@H](C)CC(C)(C)C1 ZINC000005446171 279604150 /nfs/dbraw/zinc/60/41/50/279604150.db2.gz KCHQMTSFMVBVGD-MKNMWBPTSA-N 0 0 255.431 3.061 10 30 CGEERN C[C@H]1Cc2cc(O)ccc2/C(=N/OC(=O)c2ccco2)C1 ZINC000005377064 280022614 /nfs/dbraw/zinc/02/26/14/280022614.db2.gz GMVUIJIFSYMNTE-KDSBZSBUSA-N 0 0 285.299 3.129 10 30 CGEERN O=C1/C(=C/c2ccncc2)CC/C1=C/c1ccncc1 ZINC000008643106 280247096 /nfs/dbraw/zinc/24/70/96/280247096.db2.gz VJTIKIQJUZWNSW-UKVBVZPVSA-N 0 0 262.312 3.307 10 30 CGEERN N#Cc1ccc(C(F)(F)F)nc1N[C@H]1CCCCC[C@@H]1O ZINC000135806780 294908548 /nfs/dbraw/zinc/90/85/48/294908548.db2.gz XYKCHHKKYXLDFN-QWRGUYRKSA-N 0 0 299.296 3.078 10 30 CGEERN Cc1nc(N2CCO[C@@H]3CCCC[C@H]32)c(Cl)cc1C#N ZINC000292816839 302600221 /nfs/dbraw/zinc/60/02/21/302600221.db2.gz ZLDQIVMLGDPXOH-ZIAGYGMSSA-N 0 0 291.782 3.063 10 30 CGEERN N#Cc1cccnc1N1CCCC[C@@H]1c1nccs1 ZINC000299653453 303208615 /nfs/dbraw/zinc/20/86/15/303208615.db2.gz MHZCRQHGTMKYIT-GFCCVEGCSA-N 0 0 270.361 3.141 10 30 CGEERN N#CCCCCNC(=O)N1CC=C(c2cccs2)CC1 ZINC000172226585 329084177 /nfs/dbraw/zinc/08/41/77/329084177.db2.gz AUWMYGCQILXHOR-UHFFFAOYSA-N 0 0 289.404 3.241 10 30 CGEERN N#CCc1cccc(C(=O)N2CCC[C@H]2c2ccco2)c1 ZINC000172244227 329084236 /nfs/dbraw/zinc/08/42/36/329084236.db2.gz IHWLDEVEEZBYPS-HNNXBMFYSA-N 0 0 280.327 3.323 10 30 CGEERN C=CCCC[C@@H](C)NC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000181412161 329236591 /nfs/dbraw/zinc/23/65/91/329236591.db2.gz CIKROPDFSPRLFG-CYBMUJFWSA-N 0 0 290.411 3.044 10 30 CGEERN C[C@@H](CC#N)N(C)C(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000184145822 329256660 /nfs/dbraw/zinc/25/66/60/329256660.db2.gz UDPXIBSPHQKQDO-FRRDWIJNSA-N 0 0 250.386 3.209 10 30 CGEERN C#CCC(C)(C)C(=O)N1CC=C(c2ccccc2)CC1 ZINC000184916455 329265572 /nfs/dbraw/zinc/26/55/72/329265572.db2.gz NQZVXURQSDLFRX-UHFFFAOYSA-N 0 0 267.372 3.352 10 30 CGEERN C=CCCCN(C)C(=O)N[C@H]1CCOc2c(C)cccc21 ZINC000188633589 329371552 /nfs/dbraw/zinc/37/15/52/329371552.db2.gz JIBYDHKJWGVLSA-HNNXBMFYSA-N 0 0 288.391 3.426 10 30 CGEERN C=C(C)C[C@@H](C)C(=O)N1CCC(Nc2nccs2)CC1 ZINC000190418590 329396711 /nfs/dbraw/zinc/39/67/11/329396711.db2.gz MTPMDIRDGAKOKV-GFCCVEGCSA-N 0 0 293.436 3.148 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Cl)cc1Cl ZINC000061888358 329681473 /nfs/dbraw/zinc/68/14/73/329681473.db2.gz DXJODVRQHJKFRS-UFBFGSQYSA-N 0 0 283.158 3.415 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1ccc(Cl)cc1Cl ZINC000061888357 329681478 /nfs/dbraw/zinc/68/14/78/329681478.db2.gz DXJODVRQHJKFRS-QPUJVOFHSA-N 0 0 283.158 3.415 10 30 CGEERN CC(C)[C@@H]1[C@@H](C=O)[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000536955051 330382905 /nfs/dbraw/zinc/38/29/05/330382905.db2.gz OQHSIFBPKXBZOJ-RBSFLKMASA-N 0 0 295.423 3.351 10 30 CGEERN N#C[C@H]1CCC[C@H]1NCc1cccc(OC(F)(F)F)c1 ZINC000230686397 333320824 /nfs/dbraw/zinc/32/08/24/333320824.db2.gz VMVIHSPUXHLQMO-DGCLKSJQSA-N 0 0 284.281 3.367 10 30 CGEERN CC(C)(C)CCOc1ccc(/C(N)=N/O)cc1Cl ZINC000049254854 518655958 /nfs/dbraw/zinc/65/59/58/518655958.db2.gz ZTDRWQFTKORWGC-UHFFFAOYSA-N 0 0 270.760 3.250 10 30 CGEERN CC(C)CSCc1ccc(C#CCO)cc1F ZINC000049623138 519769862 /nfs/dbraw/zinc/76/98/62/519769862.db2.gz DPJGVJJAZBIXQV-UHFFFAOYSA-N 0 0 252.354 3.059 10 30 CGEERN CCN(C(=O)[C@H](C#N)c1ccccc1)C1CCCC1 ZINC000061614501 520037157 /nfs/dbraw/zinc/03/71/57/520037157.db2.gz PYIUOUXTJVHQHR-OAHLLOKOSA-N 0 0 256.349 3.085 10 30 CGEERN CCN[C@H](C#N)CCOc1ccccc1[C@H](C)CC ZINC000062447136 520162216 /nfs/dbraw/zinc/16/22/16/520162216.db2.gz OWVHDKRIKMTYHP-KGLIPLIRSA-N 0 0 260.381 3.471 10 30 CGEERN CCC[C@@](C)(Nc1ccc(Cl)cc1C#N)C(=O)OC ZINC000052859311 520927804 /nfs/dbraw/zinc/92/78/04/520927804.db2.gz MYJXGSRMSSGXMK-CQSZACIVSA-N 0 0 280.755 3.355 10 30 CGEERN Cc1cnc([C@H](C)NC(=O)CSC[C@@H]2CCCCO2)o1 ZINC000329464162 534629005 /nfs/dbraw/zinc/62/90/05/534629005.db2.gz UUWBFEZLJUGUAP-RYUDHWBXSA-N 0 0 298.408 3.303 10 30 CGEERN CNc1nc(-c2nc3ccccc3s2)ccc1C#N ZINC000050871372 522676217 /nfs/dbraw/zinc/67/62/17/522676217.db2.gz INCLCUVXBHJLFK-UHFFFAOYSA-N 0 0 266.329 3.272 10 30 CGEERN COc1ccc(C(=O)Nc2cc(Cl)ccc2C#N)cc1 ZINC000066112576 523744866 /nfs/dbraw/zinc/74/48/66/523744866.db2.gz XYTWOSHJQAACPQ-UHFFFAOYSA-N 0 0 286.718 3.473 10 30 CGEERN COc1ccc(Cl)c(N[C@H]2CCC[C@H]2C#N)c1 ZINC000054827463 524186372 /nfs/dbraw/zinc/18/63/72/524186372.db2.gz XZPLAKBDBBBACV-CABZTGNLSA-N 0 0 250.729 3.453 10 30 CGEERN COc1ccccc1C(=O)[C@H](C#N)c1cccs1 ZINC000052902881 524362022 /nfs/dbraw/zinc/36/20/22/524362022.db2.gz OLPUZTVZDSFFPN-LLVKDONJSA-N 0 0 257.314 3.247 10 30 CGEERN COc1ccc(N[C@@H](CC#N)c2ccccc2)cn1 ZINC000055014815 524703331 /nfs/dbraw/zinc/70/33/31/524703331.db2.gz SMKOKOUSLUICDD-AWEZNQCLSA-N 0 0 253.305 3.157 10 30 CGEERN Cc1cc(N(C)Cc2ccccc2)c(C#N)c(C)n1 ZINC000156534551 525029807 /nfs/dbraw/zinc/02/98/07/525029807.db2.gz BIVWTFLBZLTCLS-UHFFFAOYSA-N 0 0 251.333 3.207 10 30 CGEERN CC(C)(C)OC(=O)N1CCCc2ccc(CCC#N)nc21 ZINC000091692339 534834280 /nfs/dbraw/zinc/83/42/80/534834280.db2.gz IHSSQGJNYZQDAS-UHFFFAOYSA-N 0 0 287.363 3.225 10 30 CGEERN Cc1cc(Oc2ccc(C#N)c(F)c2)c(C#N)c(C)n1 ZINC000156608469 525385000 /nfs/dbraw/zinc/38/50/00/525385000.db2.gz JQWCAWTYNWRZER-UHFFFAOYSA-N 0 0 267.263 3.373 10 30 CGEERN N#CCCN(Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000050444084 526456250 /nfs/dbraw/zinc/45/62/50/526456250.db2.gz XHALDPBWSPACCE-UHFFFAOYSA-N 0 0 279.727 3.126 10 30 CGEERN N#C[C@@H](C(=O)[C@@H]1CCCOC1)c1ccc(F)cc1Cl ZINC000062610773 526493664 /nfs/dbraw/zinc/49/36/64/526493664.db2.gz GOZWDGQLTZDCAL-BXKDBHETSA-N 0 0 281.714 3.082 10 30 CGEERN N/C(=N/O)c1cc(Cl)ccc1OCCc1cccs1 ZINC000052860868 526801849 /nfs/dbraw/zinc/80/18/49/526801849.db2.gz GTJQYVBDGCDGPY-UHFFFAOYSA-N 0 0 296.779 3.118 10 30 CGEERN COC(=O)CC1([C@H]2CO2)CCC(C(C)(C)C)CC1 ZINC000675052246 572549965 /nfs/dbraw/zinc/54/99/65/572549965.db2.gz BYRKLTMMFDNUBO-MQYJIDSJSA-N 0 0 254.370 3.171 10 30 CGEERN Cc1ccccc1[C@H](CC=O)NC(=O)OC(C)(C)C ZINC000238492813 618155528 /nfs/dbraw/zinc/15/55/28/618155528.db2.gz QSGADVNKDNJJQB-ZDUSSCGKSA-N 0 0 263.337 3.150 10 30 CGEERN C[C@H](OC(=O)Cc1ccc2c(c1)CCC2)C(C)(C)C#N ZINC000178818870 618698391 /nfs/dbraw/zinc/69/83/91/618698391.db2.gz GWPZCIIQGVNWDA-LBPRGKRZSA-N 0 0 271.360 3.199 10 30 CGEERN C#CCCCC(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000192165807 619761386 /nfs/dbraw/zinc/76/13/86/619761386.db2.gz MMXZULSGXUXBQG-HNNXBMFYSA-N 0 0 259.324 3.123 10 30 CGEERN C#CCC(C)(C)C(=O)N[C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000186027320 625506782 /nfs/dbraw/zinc/50/67/82/625506782.db2.gz ZFZJLJQGAFHTAL-BBRMVZONSA-N 0 0 269.388 3.394 10 30 CGEERN COc1cccc2c1ncc(C#N)c2NCc1nccs1 ZINC000223152948 622855334 /nfs/dbraw/zinc/85/53/34/622855334.db2.gz FRCJGBYMDYSWAY-UHFFFAOYSA-N 0 0 296.355 3.184 10 30 CGEERN C=CCOCCCC(=O)O[C@H](C)c1nc2ccccc2[nH]1 ZINC000076907872 623309240 /nfs/dbraw/zinc/30/92/40/623309240.db2.gz UPBZUJWUBVOOGW-GFCCVEGCSA-N 0 0 288.347 3.150 10 30 CGEERN CO[C@H](C(=O)C(C#N)c1nc(C)cs1)c1ccccc1 ZINC000069832212 624909052 /nfs/dbraw/zinc/90/90/52/624909052.db2.gz QADRVBMKEUJPPM-OCCSQVGLSA-N 0 0 286.356 3.016 10 30 CGEERN C[C@H](O)c1nc2ccccc2n1Cc1cccc(C#N)c1 ZINC000076080674 625038476 /nfs/dbraw/zinc/03/84/76/625038476.db2.gz IBOIAZVCFRFJRW-LBPRGKRZSA-N 0 0 277.327 3.010 10 30 CGEERN C=CCCOC(=O)CCC(=O)c1ccc(CC)cc1 ZINC000103650382 630342874 /nfs/dbraw/zinc/34/28/74/630342874.db2.gz XRMWFTNGIROSFF-UHFFFAOYSA-N 0 0 260.333 3.331 10 30 CGEERN N#CCCCCS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000105723408 636000165 /nfs/dbraw/zinc/00/01/65/636000165.db2.gz WFLURCHUBUEEPZ-UHFFFAOYSA-N 0 0 291.294 3.173 10 30 CGEERN C#CC[C@H](OC(=O)c1ccc(F)cc1)c1ccccn1 ZINC000105549317 635920657 /nfs/dbraw/zinc/92/06/57/635920657.db2.gz UMRADPRMAYZZLT-HNNXBMFYSA-N 0 0 269.275 3.142 10 30 CGEERN C#CCCCCNC(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000129402654 636243591 /nfs/dbraw/zinc/24/35/91/636243591.db2.gz ODTSEFUTKFGAGE-INIZCTEOSA-N 0 0 288.366 3.306 10 30 CGEERN C=C[C@H](CC(=O)O[C@H](C)[C@H]1CCOC1)c1ccccc1 ZINC000132311462 636800440 /nfs/dbraw/zinc/80/04/40/636800440.db2.gz OUYRCWCBYWIJNV-FMKPAKJESA-N 0 0 274.360 3.315 10 30 CGEERN C=CCCN(Cc1nccn1CC)OCc1ccccc1 ZINC000187379090 638882356 /nfs/dbraw/zinc/88/23/56/638882356.db2.gz FZHKNZBBZWEMAI-UHFFFAOYSA-N 0 0 285.391 3.413 10 30 CGEERN CCCCCCCN1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000190735862 640264516 /nfs/dbraw/zinc/26/45/16/640264516.db2.gz AKYPOBUNMZAZSH-MRXNPFEDSA-N 0 0 279.428 3.247 10 30 CGEERN C#C[C@H](OC(=O)/C(C)=C\c1ccc(OC)c(F)c1)C1CC1 ZINC000588447975 799695891 /nfs/dbraw/zinc/69/58/91/799695891.db2.gz RJAAHVDKOZBWSM-KLQCNHIUSA-N 0 0 288.318 3.193 10 30 CGEERN COc1cc(C(=O)/C=C\c2ccc(F)nc2)ccc1F ZINC000588524142 799706969 /nfs/dbraw/zinc/70/69/69/799706969.db2.gz YACSQMWNQGQQCZ-KXFIGUGUSA-N 0 0 275.254 3.265 10 30 CGEERN Cc1cccc2c1OCC[C@H]2/N=C\c1ccc(O)c(O)c1O ZINC000588565447 799712569 /nfs/dbraw/zinc/71/25/69/799712569.db2.gz XINMVFXBHFMGRY-ODGFMFMFSA-N 0 0 299.326 3.055 10 30 CGEERN C/C=C(\CC)C(=O)OC[C@@H](C#N)Cc1ccc(F)cc1 ZINC000588570351 799715080 /nfs/dbraw/zinc/71/50/80/799715080.db2.gz RFMKSLFQTCGSNN-NRRMAIFBSA-N 0 0 275.323 3.407 10 30 CGEERN C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ncc(C(=O)[O-])s1 ZINC000692205658 976406335 /nfs/dbraw/zinc/40/63/35/976406335.db2.gz SDZQJDYPOTUULP-QWRGUYRKSA-N 0 0 280.393 3.066 10 30 CGEERN C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ncc(C(=O)[O-])s1 ZINC000692205661 976406493 /nfs/dbraw/zinc/40/64/93/976406493.db2.gz SDZQJDYPOTUULP-WDEREUQCSA-N 0 0 280.393 3.066 10 30 CGEERN CN(c1cnc(C#N)cn1)[C@@H](c1ccc(F)cc1)C1CC1 ZINC000126099203 187216793 /nfs/dbraw/zinc/21/67/93/187216793.db2.gz IFRPDPBGONADJB-MRXNPFEDSA-N 0 0 282.322 3.075 10 30 CGEERN CCc1ccsc1CNc1nnc(C)c(C)c1C#N ZINC000088290543 529637947 /nfs/dbraw/zinc/63/79/47/529637947.db2.gz NEJBZAMHGQRUIJ-UHFFFAOYSA-N 0 0 272.377 3.201 10 30 CGEERN N#Cc1cccc(N2CCC[C@@H](COc3ccccc3)C2)n1 ZINC000301278665 136428436 /nfs/dbraw/zinc/42/84/36/136428436.db2.gz NCKSUSOHYSDHSD-OAHLLOKOSA-N 0 0 293.370 3.249 10 30 CGEERN C#CCC[C@](O)(c1ccccc1)C1SCCCS1 ZINC000034336262 344938361 /nfs/dbraw/zinc/93/83/61/344938361.db2.gz BMHUGLLSOWWOIY-HNNXBMFYSA-N 0 0 278.442 3.484 10 30 CGEERN Cc1ccccc1[S@](=O)c1cccc(F)c1C#N ZINC000039000308 344957325 /nfs/dbraw/zinc/95/73/25/344957325.db2.gz DTEDSDISSUZRMK-GOSISDBHSA-N 0 0 259.305 3.173 10 30 CGEERN Cc1cc(Br)cc(C)c1N[C@H](C)C#N ZINC000043514660 345000174 /nfs/dbraw/zinc/00/01/74/345000174.db2.gz KDLOVTPJGZDRDV-SECBINFHSA-N 0 0 253.143 3.390 10 30 CGEERN CCOC(=O)CSCCCCCC1=CCCC1=O ZINC000060069242 345210888 /nfs/dbraw/zinc/21/08/88/345210888.db2.gz YQEPAATUDUVVLI-UHFFFAOYSA-N 0 0 270.394 3.132 10 30 CGEERN CC(=O)/C=C/c1cc(Br)c(Br)o1 ZINC000070586508 345391922 /nfs/dbraw/zinc/39/19/22/345391922.db2.gz CJZUXIZLGFIOEC-NSCUHMNNSA-N 0 0 293.942 3.407 10 30 CGEERN CCSC[C@@H](C)N(C)c1cccc(F)c1C#N ZINC000074770362 345481323 /nfs/dbraw/zinc/48/13/23/345481323.db2.gz WDHJIDJEFUAFBV-SNVBAGLBSA-N 0 0 252.358 3.275 10 30 CGEERN N#Cc1c(Cl)nsc1N1C[C@H]2CC=CC[C@@H]2C1 ZINC000078370977 345604388 /nfs/dbraw/zinc/60/43/88/345604388.db2.gz YPMHAOCVZQWJBF-RKDXNWHRSA-N 0 0 265.769 3.071 10 30 CGEERN C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)C(C)C ZINC000079569868 345646764 /nfs/dbraw/zinc/64/67/64/345646764.db2.gz AQGCVPGHCMNAAW-CQSZACIVSA-N 0 0 290.407 3.437 10 30 CGEERN N#Cc1ccc(Oc2ccc3c(c2)CC[C@H]3O)cc1 ZINC000114179414 345963844 /nfs/dbraw/zinc/96/38/44/345963844.db2.gz APXBXIUYTIHSJQ-MRXNPFEDSA-N 0 0 251.285 3.330 10 30 CGEERN N#C[C@H]1CCCC[C@@H]1NCc1cc(F)ccc1F ZINC000111405611 345949587 /nfs/dbraw/zinc/94/95/87/345949587.db2.gz VSOVIUBCUYJXSF-YGRLFVJLSA-N 0 0 250.292 3.137 10 30 CGEERN C=C1C[C@@H](Cc2ccc(-c3ccccc3)cc2)NC1=O ZINC000115615654 345972594 /nfs/dbraw/zinc/97/25/94/345972594.db2.gz HCQPGQBTYXKWKB-KRWDZBQOSA-N 0 0 263.340 3.341 10 30 CGEERN N#CC[S@](=O)C(c1ccccc1)c1ccccc1 ZINC000116464198 345978034 /nfs/dbraw/zinc/97/80/34/345978034.db2.gz CKIWWDLKOCDKHX-GOSISDBHSA-N 0 0 255.342 3.048 10 30 CGEERN COC(=O)CCc1ccc(C#Cc2cccs2)cc1 ZINC000116494051 345978152 /nfs/dbraw/zinc/97/81/52/345978152.db2.gz OZAMAHOTYCBWJY-UHFFFAOYSA-N 0 0 270.353 3.254 10 30 CGEERN C[C@H](C#N)[C@@H](O)c1ccc(Cl)cc1Br ZINC000126861197 346027246 /nfs/dbraw/zinc/02/72/46/346027246.db2.gz GQFIIWXFLBQSMI-LHLIQPBNSA-N 0 0 274.545 3.296 10 30 CGEERN C=CCCNc1ccc(Br)cc1C#N ZINC000132713238 346073269 /nfs/dbraw/zinc/07/32/69/346073269.db2.gz RZUUYYCOSMREPT-UHFFFAOYSA-N 0 0 251.127 3.309 10 30 CGEERN Cc1cccc(NCCCC#N)c1Br ZINC000131661457 346066762 /nfs/dbraw/zinc/06/67/62/346066762.db2.gz CCHSPDBQZHOOMP-UHFFFAOYSA-N 0 0 253.143 3.473 10 30 CGEERN N#Cc1ccc(N[C@H]2CCC[C@H]3CCCC[C@@]32O)cc1 ZINC000144600847 346118285 /nfs/dbraw/zinc/11/82/85/346118285.db2.gz RAWOQAQHWSBMQN-HYVNUMGLSA-N 0 0 270.376 3.444 10 30 CGEERN CC1(C)OC(c2cnc3[nH]cc(C#N)c3c2)OC1(C)C ZINC000146556905 346124330 /nfs/dbraw/zinc/12/43/30/346124330.db2.gz PZUOQJNJLVQKBQ-UHFFFAOYSA-N 0 0 271.320 3.037 10 30 CGEERN COc1ccc(/C(=N\O)c2ccccc2F)c(O)c1C ZINC000146939365 346124973 /nfs/dbraw/zinc/12/49/73/346124973.db2.gz LKWQLQOHVRAYBD-VKAVYKQESA-N 0 0 275.279 3.075 10 30 CGEERN C=C(C)c1cc(Br)cc(C(=O)OC)c1 ZINC000149155539 346130133 /nfs/dbraw/zinc/13/01/33/346130133.db2.gz SQGOBMVVTIDILK-UHFFFAOYSA-N 0 0 255.111 3.269 10 30 CGEERN C=C(C)[C@H](NN)c1cc(Br)ccc1Cl ZINC000158803287 346165583 /nfs/dbraw/zinc/16/55/83/346165583.db2.gz PXWZXTBZARFAGG-JTQLQIEISA-N 0 0 275.577 3.183 10 30 CGEERN N#C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc2cccnc21 ZINC000159418519 346167859 /nfs/dbraw/zinc/16/78/59/346167859.db2.gz XYYZNVPCVGCVJT-ZBFHGGJFSA-N 0 0 265.360 3.407 10 30 CGEERN N#C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc2cccnc21 ZINC000159418393 346168034 /nfs/dbraw/zinc/16/80/34/346168034.db2.gz XYYZNVPCVGCVJT-GDBMZVCRSA-N 0 0 265.360 3.407 10 30 CGEERN C=C(Br)CNc1ccc(N)cc1Cl ZINC000168186607 346189959 /nfs/dbraw/zinc/18/99/59/346189959.db2.gz LKRFKRXRIHCUKA-UHFFFAOYSA-N 0 0 261.550 3.243 10 30 CGEERN N#C[C@H](c1ccncc1)c1ccc(C(F)(F)F)nc1 ZINC000217351721 346291144 /nfs/dbraw/zinc/29/11/44/346291144.db2.gz BVPKPMCLLYUPPB-LLVKDONJSA-N 0 0 263.222 3.151 10 30 CGEERN CC[C@@H](C#N)[C@@H](O)c1cc(Br)c(C)s1 ZINC000227987717 346312519 /nfs/dbraw/zinc/31/25/19/346312519.db2.gz DZIWNDWCJUBDMS-OIBJUYFYSA-N 0 0 274.183 3.402 10 30 CGEERN CC(C)(C#N)[C@H](O)c1sccc1Br ZINC000228024181 346312875 /nfs/dbraw/zinc/31/28/75/346312875.db2.gz GJTJMCCSKRKIML-MRVPVSSYSA-N 0 0 260.156 3.094 10 30 CGEERN Cc1c(CN[C@H]2CCCC[C@H]2C#N)cccc1[N+](=O)[O-] ZINC000231885364 346323594 /nfs/dbraw/zinc/32/35/94/346323594.db2.gz LFJKTVOTPNIMRI-JSGCOSHPSA-N 0 0 273.336 3.075 10 30 CGEERN N#Cc1c(F)c(Br)c(F)cc1Br ZINC000238567713 346349426 /nfs/dbraw/zinc/34/94/26/346349426.db2.gz USWRTRRWZBNBSA-UHFFFAOYSA-N 0 0 296.896 3.361 10 30 CGEERN [N-]=[N+]=Nc1nccc2c(I)c[nH]c21 ZINC000238580351 346350341 /nfs/dbraw/zinc/35/03/41/346350341.db2.gz UNOJRWFZFZHTBN-UHFFFAOYSA-N 0 0 285.048 3.109 10 30 CGEERN C#CCC(=O)Nc1cc(Cl)ccc1Br ZINC000236055466 346339344 /nfs/dbraw/zinc/33/93/44/346339344.db2.gz JENPBKLTSURHOF-UHFFFAOYSA-N 0 0 272.529 3.064 10 30 CGEERN C=CC[C@H](O)c1ccc(F)cc1I ZINC000236522433 346340636 /nfs/dbraw/zinc/34/06/36/346340636.db2.gz CNIRTWSTQQUWHF-JTQLQIEISA-N 0 0 292.091 3.040 10 30 CGEERN N#Cc1ccc(C(=O)COCc2ccccc2)cc1F ZINC000309783122 346470207 /nfs/dbraw/zinc/47/02/07/346470207.db2.gz LPXOHQUBTTTXHU-UHFFFAOYSA-N 0 0 269.275 3.097 10 30 CGEERN N#CCc1c(N)cc(Br)cc1C(F)(F)F ZINC000396052463 346578696 /nfs/dbraw/zinc/57/86/96/346578696.db2.gz NJHYMKTZCOAPQY-UHFFFAOYSA-N 0 0 279.059 3.116 10 30 CGEERN C=CCn1c(=O)[nH]c(=S)cc1-c1ccc(Cl)s1 ZINC000409437642 346606375 /nfs/dbraw/zinc/60/63/75/346606375.db2.gz HZLSDUHBBUHHDQ-UHFFFAOYSA-N 0 0 284.793 3.100 10 30 CGEERN N#C[C@]1(c2cccc(Br)c2)CCCOC1 ZINC000536950988 346650638 /nfs/dbraw/zinc/65/06/38/346650638.db2.gz YRNAXYZKMPEKSZ-GFCCVEGCSA-N 0 0 266.138 3.021 10 30 CGEERN C=CC[C@H](CC)OS(=O)(=O)c1ccc(C)cc1 ZINC000584638843 346702081 /nfs/dbraw/zinc/70/20/81/346702081.db2.gz LAFGSRLKJCBCGU-LBPRGKRZSA-N 0 0 254.351 3.055 10 30 CGEERN CCOC(=O)/C=C/c1ccc(N2CCCCC2)c(C#N)c1 ZINC000584653750 346705356 /nfs/dbraw/zinc/70/53/56/346705356.db2.gz FZNZCFZNIDBNJR-VQHVLOKHSA-N 0 0 284.359 3.125 10 30 CGEERN C=CC[C@@](Cc1ccc(F)cc1)(C(C)=O)C(=O)OCC ZINC000584596940 346687946 /nfs/dbraw/zinc/68/79/46/346687946.db2.gz UJSTWALXKYBJRC-MRXNPFEDSA-N 0 0 278.323 3.083 10 30 CGEERN COc1cc(/C=C2/CC[C@@H](C)CC2=O)cc(OC)c1O ZINC000584601494 346689732 /nfs/dbraw/zinc/68/97/32/346689732.db2.gz XLTDLPKFYWOVCO-VPMLRQHESA-N 0 0 276.332 3.182 10 30 CGEERN C#C[C@](OC(C)=O)(c1ccc(Cl)cc1)C1(C#N)CC1 ZINC000584603287 346690318 /nfs/dbraw/zinc/69/03/18/346690318.db2.gz QCKSDXBNHQFLDD-HNNXBMFYSA-N 0 0 273.719 3.035 10 30 CGEERN O=C1CC[C@@H]2[C@@H]1CC[C@H]1[C@H]2C=CC2=CC(=O)CC[C@@H]21 ZINC000584604661 346690630 /nfs/dbraw/zinc/69/06/30/346690630.db2.gz CKEFUDSEFARIME-OTJKEOIZSA-N 0 0 256.345 3.083 10 30 CGEERN Cc1c(C(N)=O)[nH]c2c1cc(F)cc2-c1ccc(C#N)cc1 ZINC000584618750 346695210 /nfs/dbraw/zinc/69/52/10/346695210.db2.gz OKSSLGKGXFOFMA-UHFFFAOYSA-N 0 0 293.301 3.253 10 30 CGEERN CCCCc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000610496657 348385243 /nfs/dbraw/zinc/38/52/43/348385243.db2.gz HUYPMFPRLAMGOC-HZPDHXFCSA-N 0 0 270.376 3.451 10 30 CGEERN Cc1nnc([C@@H](C)Nc2ccc(C#N)cc2F)s1 ZINC000273441009 192150337 /nfs/dbraw/zinc/15/03/37/192150337.db2.gz BMOJHUKREINXDN-SSDOTTSWSA-N 0 0 262.313 3.030 10 30 CGEERN C#Cc1ccccc1Oc1ccc(C(=O)OC)cc1 ZINC000616220738 348800241 /nfs/dbraw/zinc/80/02/41/348800241.db2.gz WHTVDHKNERRFLB-UHFFFAOYSA-N 0 0 252.269 3.247 10 30 CGEERN CC(=O)N1CC[C@@H](c2cccc(C#N)c2)c2ccccc21 ZINC000616676628 348863977 /nfs/dbraw/zinc/86/39/77/348863977.db2.gz YQNMRLBCWJVUNW-INIZCTEOSA-N 0 0 276.339 3.447 10 30 CGEERN CC(=O)N1CCc2ccccc2[C@H]1c1cccc(C#N)c1 ZINC000616679086 348864680 /nfs/dbraw/zinc/86/46/80/348864680.db2.gz CALOLRXVRDUFQQ-GOSISDBHSA-N 0 0 276.339 3.052 10 30 CGEERN CC(C)OC(=O)c1cccc(SC[C@@H](C)C#N)c1N ZINC000104430813 185999572 /nfs/dbraw/zinc/99/95/72/185999572.db2.gz SICOQGVCGUWKFC-JTQLQIEISA-N 0 0 278.377 3.086 10 30 CGEERN C=CCN(C)C(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000154018741 188118242 /nfs/dbraw/zinc/11/82/42/188118242.db2.gz MDBFNRIHZZGNCO-VIFPVBQESA-N 0 0 270.735 3.368 10 30 CGEERN N#Cc1ccc(NC(=O)[C@@H]2CCCc3cccnc32)cc1 ZINC000193781035 283176551 /nfs/dbraw/zinc/17/65/51/283176551.db2.gz HVXKBVRQWJRYGD-OAHLLOKOSA-N 0 0 277.327 3.012 10 30 CGEERN C=CCC(CC=C)C(=O)N[C@H](C)COCc1ccccc1 ZINC000177182458 189034669 /nfs/dbraw/zinc/03/46/69/189034669.db2.gz SOYMNRIGGAQKIJ-OAHLLOKOSA-N 0 0 287.403 3.476 10 30 CGEERN C=CCCC(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000121724628 370890569 /nfs/dbraw/zinc/89/05/69/370890569.db2.gz NVISYPBWYYYJSY-ZDUSSCGKSA-N 0 0 259.349 3.371 10 30 CGEERN O=C1c2ccccc2CC[C@@]12O[C@H]2c1ccccc1 ZINC000000159811 368304961 /nfs/dbraw/zinc/30/49/61/368304961.db2.gz KEGOBJMZUSOZFM-DLBZAZTESA-N 0 0 250.297 3.326 10 30 CGEERN Fc1ccccc1COc1cccc(C=Nc2nc[nH]n2)c1 ZINC000000459830 368370719 /nfs/dbraw/zinc/37/07/19/368370719.db2.gz WSAKFBSAJUCJRY-GIJQJNRQSA-N 0 0 296.305 3.273 10 30 CGEERN Cn1c(/C=C/C(=O)c2ccccc2)nc2ccccc21 ZINC000026462530 368860183 /nfs/dbraw/zinc/86/01/83/368860183.db2.gz VZVWAABZNHMFPJ-VAWYXSNFSA-N 0 0 262.312 3.469 10 30 CGEERN N#Cc1ccc(NC(=O)OCc2ccccc2)cc1 ZINC000033566723 368966170 /nfs/dbraw/zinc/96/61/70/368966170.db2.gz XOHXOSDPOGMUMW-UHFFFAOYSA-N 0 0 252.273 3.307 10 30 CGEERN C=CC[C@H](OC(C)=O)/C(C)=C/c1csc(C)n1 ZINC000038222342 369144746 /nfs/dbraw/zinc/14/47/46/369144746.db2.gz XMTZHLOWIKOBMP-XOVSCCBYSA-N 0 0 251.351 3.363 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)c1cccc(Cl)c1Cl ZINC000061888659 369609682 /nfs/dbraw/zinc/60/96/82/369609682.db2.gz PVVQNWBWRVUOMC-LDYMZIIASA-N 0 0 283.158 3.415 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1cc2c(s1)CCCCC2 ZINC000061888740 369609979 /nfs/dbraw/zinc/60/99/79/369609979.db2.gz DXGRRDVUPFBGIS-OLZOCXBDSA-N 0 0 288.416 3.439 10 30 CGEERN C=CCOc1ccc(CN[C@H]2CCC[C@@H]2C#N)cc1 ZINC000061891655 369610482 /nfs/dbraw/zinc/61/04/82/369610482.db2.gz HGEYXTOFJANDER-ZBFHGGJFSA-N 0 0 256.349 3.033 10 30 CGEERN COc1ccc(Cl)cc1CN[C@@H]1CCC[C@@H]1C#N ZINC000061892710 369610984 /nfs/dbraw/zinc/61/09/84/369610984.db2.gz YWVZUZCMRAPZHO-ZWNOBZJWSA-N 0 0 264.756 3.130 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NCc1cc(Br)cs1 ZINC000061891764 369611286 /nfs/dbraw/zinc/61/12/86/369611286.db2.gz LROPSNSHVZYUEG-GZMMTYOYSA-N 0 0 285.210 3.292 10 30 CGEERN N#Cc1ccc(N[C@H](CO)c2ccccc2)cc1Cl ZINC000063001287 369635893 /nfs/dbraw/zinc/63/58/93/369635893.db2.gz QFMWEXSCZQAPEO-OAHLLOKOSA-N 0 0 272.735 3.357 10 30 CGEERN CC(C)(C)OC(=O)n1ccc2cc(CC#N)ccc21 ZINC000066055078 369686790 /nfs/dbraw/zinc/68/67/90/369686790.db2.gz LJTHRZHFRDECHG-UHFFFAOYSA-N 0 0 256.305 3.491 10 30 CGEERN CC(=O)N(C)c1ccc(/N=C/c2ccc(N(C)C)cc2)cc1 ZINC000100032382 370270231 /nfs/dbraw/zinc/27/02/31/370270231.db2.gz UDEQJXSXLDKHEK-CPNJWEJPSA-N 0 0 295.386 3.486 10 30 CGEERN CC(=O)Nc1ccc(/N=C\c2cccc([N+](=O)[O-])c2)cc1 ZINC000100207602 370274218 /nfs/dbraw/zinc/27/42/18/370274218.db2.gz YLFCZBAYLNPBBI-YBEGLDIGSA-N 0 0 283.287 3.304 10 30 CGEERN N#Cc1cccc(CNC(=O)N2CCC[C@H]2c2ccco2)c1 ZINC000116421629 370561247 /nfs/dbraw/zinc/56/12/47/370561247.db2.gz FOIOFAFEPZBOME-HNNXBMFYSA-N 0 0 295.342 3.198 10 30 CGEERN C[C@H](c1ccc(C#N)cc1)N1CCO[C@H](c2nccs2)C1 ZINC000118396166 370613335 /nfs/dbraw/zinc/61/33/35/370613335.db2.gz OPOZRNKNWXNJCT-DOMZBBRYSA-N 0 0 299.399 3.149 10 30 CGEERN C=CCCC(=O)N(C)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000134129608 371306428 /nfs/dbraw/zinc/30/64/28/371306428.db2.gz QXWOSTZJQKIXMR-KGLIPLIRSA-N 0 0 265.397 3.149 10 30 CGEERN Brc1ncccc1C=NNc1ccccc1 ZINC000138258454 371503577 /nfs/dbraw/zinc/50/35/77/371503577.db2.gz YVGUPCSPANKXLD-DHDCSXOGSA-N 0 0 276.137 3.290 10 30 CGEERN COc1ccccc1[C@H](C)CNc1nnc(C)c(C)c1C#N ZINC000301184378 373685200 /nfs/dbraw/zinc/68/52/00/373685200.db2.gz ONUYLTNCOBYNHD-LLVKDONJSA-N 0 0 296.374 3.189 10 30 CGEERN O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)C1=COCCC1 ZINC000328613876 374370588 /nfs/dbraw/zinc/37/05/88/374370588.db2.gz UOEPRRHIMJTVCN-GDBMZVCRSA-N 0 0 287.359 3.415 10 30 CGEERN C[C@@H]1CCCN(C(=O)N[C@@H]2CCC(=O)NC23CCC3)[C@H]1C ZINC000328754009 374380091 /nfs/dbraw/zinc/38/00/91/374380091.db2.gz SFBAYMXVFONXEZ-FRRDWIJNSA-N 0 0 293.411 3.062 10 30 CGEERN C[C@@H]1CC[C@H](CCC(=O)N[C@@H]2CCC(=O)NC23CCC3)O1 ZINC000328751801 374380777 /nfs/dbraw/zinc/38/07/77/374380777.db2.gz RELIXPGFSUUNNZ-JHJVBQTASA-N 0 0 294.395 3.332 10 30 CGEERN C[C@H](CC1CC1)NC(=O)N[C@H]1CCCC12CCOCC2 ZINC000328833405 374385425 /nfs/dbraw/zinc/38/54/25/374385425.db2.gz RUPKXZWRNSNMCY-OCCSQVGLSA-N 0 0 280.412 3.028 10 30 CGEERN C[C@H](C(=O)N[C@@H]1CCO[C@@H]1C1CC1)n1cnc2ccccc21 ZINC000328861176 374390036 /nfs/dbraw/zinc/39/00/36/374390036.db2.gz ZGCBWMODSNTTJU-DJSGYFEHSA-N 0 0 299.374 3.121 10 30 CGEERN N#C[C@@H]1CCC[C@H]1NC(=O)Cc1ccc(Cl)cc1Cl ZINC000334549141 374846910 /nfs/dbraw/zinc/84/69/10/374846910.db2.gz DGSWVRFNLSNVMX-GXFFZTMASA-N 0 0 297.185 3.344 10 30 CGEERN C=CC[C@H](C(=O)N1CCS[C@@H](C)C1)c1ccccc1 ZINC000189140320 375331979 /nfs/dbraw/zinc/33/19/79/375331979.db2.gz AICLLNJZFGPLIT-ZFWWWQNUSA-N 0 0 275.417 3.310 10 30 CGEERN CC1=C2CCN(C(=O)OC(C)(C)C)C[C@H]2[C@@H](C)CC1=O ZINC000223349073 376251505 /nfs/dbraw/zinc/25/15/05/376251505.db2.gz DPKUCKKWQFUGSJ-GWCFXTLKSA-N 0 0 279.380 3.169 10 30 CGEERN C[C@@H]1CC(=NN2C(=O)CSC2=S)CC(C)(C)C1 ZINC000254482724 377708128 /nfs/dbraw/zinc/70/81/28/377708128.db2.gz BIZNYOKAYBNFLJ-MRVPVSSYSA-N 0 0 270.423 3.049 10 30 CGEERN CCOC(=O)c1ccc(C(F)(F)F)c(CC)c1C#N ZINC000575389313 377897626 /nfs/dbraw/zinc/89/76/26/377897626.db2.gz GEZQVYSOFYWLGN-UHFFFAOYSA-N 0 0 271.238 3.316 10 30 CGEERN CCOC(=O)c1c(C#N)cc(Cl)cc1OC(F)(F)F ZINC000575382936 377892968 /nfs/dbraw/zinc/89/29/68/377892968.db2.gz UPFNNXQWAZKFRC-UHFFFAOYSA-N 0 0 293.628 3.287 10 30 CGEERN CCOC(=O)c1c(Cl)ccc(OC(F)(F)F)c1C#N ZINC000575382945 377893647 /nfs/dbraw/zinc/89/36/47/377893647.db2.gz WOTIMZLUCOTPAY-UHFFFAOYSA-N 0 0 293.628 3.287 10 30 CGEERN CCOC(=O)Cc1c(C#N)cc(Cl)cc1C(F)(F)F ZINC000575383298 377893699 /nfs/dbraw/zinc/89/36/99/377893699.db2.gz NXVVKPVVPZIDBG-UHFFFAOYSA-N 0 0 291.656 3.336 10 30 CGEERN CCOC(=O)c1c(C#N)cc(OC(F)(F)F)cc1CC ZINC000575388998 377896235 /nfs/dbraw/zinc/89/62/35/377896235.db2.gz PQQSOSFKDSSGDT-UHFFFAOYSA-N 0 0 287.237 3.196 10 30 CGEERN COC(=O)c1ccc(C#N)c(OC(F)(F)F)c1C(F)F ZINC000575387319 377896419 /nfs/dbraw/zinc/89/64/19/377896419.db2.gz JUTXARVGVOHZIV-UHFFFAOYSA-N 0 0 295.163 3.181 10 30 CGEERN CCOC(=O)c1cc(C(F)(F)F)c(C#N)cc1CC ZINC000575389299 377897448 /nfs/dbraw/zinc/89/74/48/377897448.db2.gz FUELJAANXCSMNB-UHFFFAOYSA-N 0 0 271.238 3.316 10 30 CGEERN C/C=C/C(=O)c1csc(I)c1 ZINC000575578967 377919151 /nfs/dbraw/zinc/91/91/51/377919151.db2.gz GXEMHPDWNRFOLX-NSCUHMNNSA-N 0 0 278.114 3.112 10 30 CGEERN CCc1cc(C#N)c(OC(F)(F)F)cc1CC#N ZINC000575649519 377927369 /nfs/dbraw/zinc/92/73/69/377927369.db2.gz RMAYHYLLGYZNMQ-UHFFFAOYSA-N 0 0 254.211 3.085 10 30 CGEERN N#Cc1c(F)c(C(F)(F)F)ccc1OC(F)F ZINC000575658619 377934833 /nfs/dbraw/zinc/93/48/33/377934833.db2.gz CVVLOYPODCHGGK-UHFFFAOYSA-N 0 0 255.117 3.318 10 30 CGEERN N#Cc1cc(F)cc(C(F)(F)F)c1OC(F)F ZINC000575660734 377936991 /nfs/dbraw/zinc/93/69/91/377936991.db2.gz VDSCVFFWQUTWLU-UHFFFAOYSA-N 0 0 255.117 3.318 10 30 CGEERN CCOC(=O)c1cc(C(F)(F)F)cc(C#N)c1OCC ZINC000575670473 377947661 /nfs/dbraw/zinc/94/76/61/377947661.db2.gz IKXFQUWHSIJBFA-UHFFFAOYSA-N 0 0 287.237 3.152 10 30 CGEERN CC(=Nc1nc([N-][N+]#N)nc2[nH]cnc21)c1ccccc1 ZINC000263583869 377948337 /nfs/dbraw/zinc/94/83/37/377948337.db2.gz CYACHKUVMPBNOQ-UHFFFAOYSA-N 0 0 278.279 3.378 10 30 CGEERN Cc1c(Br)c(OC(F)F)ccc1C#N ZINC000575682960 377957158 /nfs/dbraw/zinc/95/71/58/377957158.db2.gz HRHATIFCOMJDGY-UHFFFAOYSA-N 0 0 262.053 3.231 10 30 CGEERN N#CCc1c(F)ccc(OC(F)F)c1Br ZINC000575680076 377953405 /nfs/dbraw/zinc/95/34/05/377953405.db2.gz JUOZMOLPWDKXLQ-UHFFFAOYSA-N 0 0 280.043 3.256 10 30 CGEERN N#Cc1ccc(Br)c(OC(F)F)c1F ZINC000575679902 377953420 /nfs/dbraw/zinc/95/34/20/377953420.db2.gz FLTMIVVMMFNBKN-UHFFFAOYSA-N 0 0 266.016 3.061 10 30 CGEERN CCOC(=O)c1cc(C#N)cc(C)c1C(F)(F)F ZINC000575395167 377902214 /nfs/dbraw/zinc/90/22/14/377902214.db2.gz PYTSFYGLEFELRB-UHFFFAOYSA-N 0 0 257.211 3.062 10 30 CGEERN Nc1cc(C(F)(F)F)cc(F)c1OC(F)(F)F ZINC000575397395 377904701 /nfs/dbraw/zinc/90/47/01/377904701.db2.gz XPDGGEJCXSPEEU-UHFFFAOYSA-N 0 0 263.112 3.325 10 30 CGEERN N#Cc1c(Br)cc(F)cc1OC(F)(F)F ZINC000575689284 377964315 /nfs/dbraw/zinc/96/43/15/377964315.db2.gz AGDSODIVSGWDCW-UHFFFAOYSA-N 0 0 284.006 3.358 10 30 CGEERN N#CCc1cc(O)cc(Br)c1OC(F)(F)F ZINC000575690691 377965329 /nfs/dbraw/zinc/96/53/29/377965329.db2.gz ALCHWDHSSXPGBV-UHFFFAOYSA-N 0 0 296.042 3.119 10 30 CGEERN N#Cc1cc(I)c(Cl)cc1Cl ZINC000575694280 377967991 /nfs/dbraw/zinc/96/79/91/377967991.db2.gz IABLCEDEDLACAI-UHFFFAOYSA-N 0 0 297.910 3.470 10 30 CGEERN Oc1c(C(F)(F)F)ccc(F)c1OC(F)(F)F ZINC000575703661 377976878 /nfs/dbraw/zinc/97/68/78/377976878.db2.gz PIMRXDCECZMVFM-UHFFFAOYSA-N 0 0 264.096 3.449 10 30 CGEERN CCc1c(OC(F)(F)F)ccc(CC#N)c1[N+](=O)[O-] ZINC000575705630 377977787 /nfs/dbraw/zinc/97/77/87/377977787.db2.gz INFFFBMTDQKRCO-UHFFFAOYSA-N 0 0 274.198 3.122 10 30 CGEERN N#C[C@H](c1ccccn1)[C@H](CCO)c1c(F)cccc1F ZINC000584628910 378394967 /nfs/dbraw/zinc/39/49/67/378394967.db2.gz ZDWLTLUHTQZBAH-RYUDHWBXSA-N 0 0 288.297 3.133 10 30 CGEERN N#Cc1cc(F)c(N2C[C@H]3CCC[C@@H]32)cc1Br ZINC000569707841 322255090 /nfs/dbraw/zinc/25/50/90/322255090.db2.gz CKHFXSJZFYAIBA-PELKAZGASA-N 0 0 295.155 3.449 10 30 CGEERN C[C@@H]1CCc2c(C(=O)N[C@H]3CCC[C@@H]3C#N)csc2C1 ZINC000408333773 380005524 /nfs/dbraw/zinc/00/55/24/380005524.db2.gz IGHVQABYOHQFMI-GYSYKLTISA-N 0 0 288.416 3.295 10 30 CGEERN O=C(N[C@H]1CCCc2c(O)cccc21)C1CCC(=O)CC1 ZINC000330062084 296315207 /nfs/dbraw/zinc/31/52/07/296315207.db2.gz AMYOGIYBYXZJCH-HNNXBMFYSA-N 0 0 287.359 3.485 10 30 CGEERN Cc1cc(N[C@H]2CCOc3ccccc32)cc(C#N)n1 ZINC000308275129 542422453 /nfs/dbraw/zinc/42/24/53/542422453.db2.gz LHIFYRPFKQUSJM-HNNXBMFYSA-N 0 0 265.316 3.197 10 30 CGEERN CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)NC1CCC1 ZINC000328813626 542445501 /nfs/dbraw/zinc/44/55/01/542445501.db2.gz NKIWXKGNPMFXQR-JSGCOSHPSA-N 0 0 277.368 3.051 10 30 CGEERN O=C(NC[C@@H]1CCCC[C@@H]1O)NC(C1CCC1)C1CCC1 ZINC000329299513 542446003 /nfs/dbraw/zinc/44/60/03/542446003.db2.gz LZLPFOYFUUIYQK-GJZGRUSLSA-N 0 0 294.439 3.010 10 30 CGEERN C#CCN(C)C(=O)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000191172938 130195964 /nfs/dbraw/zinc/19/59/64/130195964.db2.gz DMWSRPJAPZKRCA-HZPDHXFCSA-N 0 0 255.361 3.005 10 30 CGEERN Cc1cc(N2CCc3ccccc3CC2)c(C#N)c(C)n1 ZINC000156584300 392547566 /nfs/dbraw/zinc/54/75/66/392547566.db2.gz YTDWOHQMARRGDD-UHFFFAOYSA-N 0 0 277.371 3.175 10 30 CGEERN O=C(Nc1cnc(-c2ccccc2)nc1)N1C[C@H]2CCC[C@@H]21 ZINC000329466284 392682243 /nfs/dbraw/zinc/68/22/43/392682243.db2.gz VNXCKBNKOAOQPE-HIFRSBDPSA-N 0 0 294.358 3.173 10 30 CGEERN Cc1cccc2c(C#CCO)cn(C(=O)OC(C)(C)C)c21 ZINC000669383319 543104125 /nfs/dbraw/zinc/10/41/25/543104125.db2.gz SCWDIZWGTJFFHI-UHFFFAOYSA-N 0 0 285.343 3.077 10 30 CGEERN N#Cc1ccc(N[C@@H]2COc3ccccc32)cc1[N+](=O)[O-] ZINC000094591989 165352740 /nfs/dbraw/zinc/35/27/40/165352740.db2.gz WSZIORBDJHCDCE-CYBMUJFWSA-N 0 0 281.271 3.012 10 30 CGEERN N#Cc1cc(Br)ccc1NCC[C@H]1CCCO1 ZINC000096731052 165399991 /nfs/dbraw/zinc/39/99/91/165399991.db2.gz WWEAWIYHVRAPLZ-GFCCVEGCSA-N 0 0 295.180 3.302 10 30 CGEERN Cc1[nH]c2ccccc2c1/C=N/c1cccc(C(N)=O)c1 ZINC000005536636 170110551 /nfs/dbraw/zinc/11/05/51/170110551.db2.gz CNBQPGYWWLXSKO-VXLYETTFSA-N 0 0 277.327 3.326 10 30 CGEERN Cc1cc(Cl)cc([S@](=O)c2cccc(N)c2C#N)c1 ZINC000005930681 170157316 /nfs/dbraw/zinc/15/73/16/170157316.db2.gz WSCFYUPTXVJCQG-LJQANCHMSA-N 0 0 290.775 3.269 10 30 CGEERN Cc1nc(C#N)c(N=NCc2cccc3ccccc32)o1 ZINC000006861437 170250548 /nfs/dbraw/zinc/25/05/48/170250548.db2.gz ZTODAEYKWNLACU-VCHYOVAHSA-N 0 0 276.299 3.454 10 30 CGEERN C[C@H](Oc1cccc(C#N)c1)C(=O)c1ccccc1 ZINC000008488816 170337727 /nfs/dbraw/zinc/33/77/27/170337727.db2.gz IGLXVEYRGFKVQU-LBPRGKRZSA-N 0 0 251.285 3.208 10 30 CGEERN Clc1ccc(Cl)c(/C=N\n2cnnc2)c1Cl ZINC000008779088 170355689 /nfs/dbraw/zinc/35/56/89/170355689.db2.gz MZZLBVDPWSKRCM-CQPUUCJISA-N 0 0 275.526 3.121 10 30 CGEERN N#CCCN(c1ccccc1)c1ccc(Cl)nn1 ZINC000019433992 170799118 /nfs/dbraw/zinc/79/91/18/170799118.db2.gz VEPHGQLNGBHYEK-UHFFFAOYSA-N 0 0 258.712 3.182 10 30 CGEERN Cc1ccc(SCc2ccc(/C(N)=N/O)cc2)cc1 ZINC000019847748 170897221 /nfs/dbraw/zinc/89/72/21/170897221.db2.gz ZBWXYNHMCNLGDC-UHFFFAOYSA-N 0 0 272.373 3.382 10 30 CGEERN CCCSCCCC(=O)Nc1ccccc1C#N ZINC000019870255 170901412 /nfs/dbraw/zinc/90/14/12/170901412.db2.gz QTHFVKMUYTYLIP-UHFFFAOYSA-N 0 0 262.378 3.420 10 30 CGEERN N#Cc1ccc(CNCc2nc3ccccc3s2)cc1 ZINC000020136205 171024100 /nfs/dbraw/zinc/02/41/00/171024100.db2.gz DGBBRIAXDMTCQE-UHFFFAOYSA-N 0 0 279.368 3.458 10 30 CGEERN CC(C)N[C@@H](C#N)c1cccc(Br)c1 ZINC000020176139 171042511 /nfs/dbraw/zinc/04/25/11/171042511.db2.gz DLCPSMNGKINMOF-NSHDSACASA-N 0 0 253.143 3.012 10 30 CGEERN COc1cccc([C@@H](C#N)NC2CCCCC2)c1OC ZINC000020176904 171043130 /nfs/dbraw/zinc/04/31/30/171043130.db2.gz ODEDQTRJNAJWQH-CQSZACIVSA-N 0 0 274.364 3.191 10 30 CGEERN C#Cc1cccc(N[C@@H](C)C(=O)Nc2ccccc2)c1 ZINC000020369348 171166991 /nfs/dbraw/zinc/16/69/91/171166991.db2.gz BNDNCJPPGMZKBA-ZDUSSCGKSA-N 0 0 264.328 3.107 10 30 CGEERN C[C@H](NNC(=S)N(C)C1CCCCC1)c1ccccn1 ZINC000027309713 171512739 /nfs/dbraw/zinc/51/27/39/171512739.db2.gz OSBQYUWNOCREFO-LBPRGKRZSA-N 0 0 292.452 3.198 10 30 CGEERN Cc1ccc(/C=C2\Oc3cc(OCC#N)ccc3C2=O)o1 ZINC000033514039 171811177 /nfs/dbraw/zinc/81/11/77/171811177.db2.gz HFUIDIFBWNVBEM-DHDCSXOGSA-N 0 0 281.267 3.107 10 30 CGEERN Cc1ccccc1S(=O)(=O)/N=C(/Cl)c1ccccc1 ZINC000035141246 172009399 /nfs/dbraw/zinc/00/93/99/172009399.db2.gz DZGCRLKMRCFSRI-JQIJEIRASA-N 0 0 293.775 3.369 10 30 CGEERN C[C@@H](O)c1cccc(OCc2ccc(C#N)cc2)c1 ZINC000035188702 172043497 /nfs/dbraw/zinc/04/34/97/172043497.db2.gz XZNFTORJPYMXBL-GFCCVEGCSA-N 0 0 253.301 3.191 10 30 CGEERN C[C@@H](O)c1ccc(Oc2ccc(C#N)cc2)c([N+](=O)[O-])c1 ZINC000035632313 172314791 /nfs/dbraw/zinc/31/47/91/172314791.db2.gz QZEHXQVZDDOQEP-SNVBAGLBSA-N 0 0 284.271 3.312 10 30 CGEERN C#Cc1cccc(NCc2c(C)nc3sccn23)c1 ZINC000037185121 173016876 /nfs/dbraw/zinc/01/68/76/173016876.db2.gz JOZXUPYZNFEMTQ-UHFFFAOYSA-N 0 0 267.357 3.298 10 30 CGEERN C=CCn1c(CCCCCNC(=O)CC)nc2ccccc21 ZINC000040211066 174203812 /nfs/dbraw/zinc/20/38/12/174203812.db2.gz WPWRLBIGZUDYRJ-UHFFFAOYSA-N 0 0 299.418 3.461 10 30 CGEERN C=CCNc1ncnc(NC2CCCCCC2)c1[N+](=O)[O-] ZINC000040599008 174349861 /nfs/dbraw/zinc/34/98/61/174349861.db2.gz FRDWBNWOSRNJGC-UHFFFAOYSA-N 0 0 291.355 3.117 10 30 CGEERN N#Cc1ccc(Oc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000043472812 175053669 /nfs/dbraw/zinc/05/36/69/175053669.db2.gz JWCHHGDIFYUPNH-UHFFFAOYSA-N 0 0 258.208 3.398 10 30 CGEERN CCCCCCCS(=O)(=O)c1ccccc1OC(C)=O ZINC000043989984 175135725 /nfs/dbraw/zinc/13/57/25/175135725.db2.gz GKZKFVSWDQOAGV-UHFFFAOYSA-N 0 0 298.404 3.356 10 30 CGEERN C=C[C@@](O)(c1ccc(Br)cc1)c1cccnc1 ZINC000044710390 175236097 /nfs/dbraw/zinc/23/60/97/175236097.db2.gz MPZIBGBODUJREE-CQSZACIVSA-N 0 0 290.160 3.266 10 30 CGEERN CCN(C(=O)[C@@H](C#N)Cc1ccccc1)c1ccccc1 ZINC000044811649 175258141 /nfs/dbraw/zinc/25/81/41/175258141.db2.gz CICYJCSFEXVGCS-MRXNPFEDSA-N 0 0 278.355 3.422 10 30 CGEERN C[C@H](Nc1cnc(C#N)cn1)c1ccc(Cl)s1 ZINC000071177952 176055868 /nfs/dbraw/zinc/05/58/68/176055868.db2.gz LKQFYXBVHXATHJ-ZETCQYMHSA-N 0 0 264.741 3.236 10 30 CGEERN Brc1cncc2[nH]cc(C#CC3CC3)c21 ZINC000725244908 544111815 /nfs/dbraw/zinc/11/18/15/544111815.db2.gz BNRFCZNSBQRVBD-UHFFFAOYSA-N 0 0 261.122 3.087 10 30 CGEERN CN(C(=O)N[C@@H]1CCCCC12CCCC2)[C@@H]1CCNC1=O ZINC000329805699 227954354 /nfs/dbraw/zinc/95/43/54/227954354.db2.gz KVAXLASJUAXYEO-CHWSQXEVSA-N 0 0 293.411 3.064 10 30 CGEERN C[C@H]1OCC[C@H]1NC(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000330173524 228055683 /nfs/dbraw/zinc/05/56/83/228055683.db2.gz HKGNHMCHOYKKOB-GZBLMMOJSA-N 0 0 280.412 3.026 10 30 CGEERN COC1CCC(CCNC(=O)[C@@]2(C)CCCNC2=O)CC1 ZINC000330309801 228123138 /nfs/dbraw/zinc/12/31/38/228123138.db2.gz MYTZADFNZSWMPK-ZUEPYMLJSA-N 0 0 296.411 3.295 10 30 CGEERN C=C(C)COCCNC(=O)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000180461133 260102916 /nfs/dbraw/zinc/10/29/16/260102916.db2.gz UBFIGWQYYZMUAB-KBPBESRZSA-N 0 0 267.413 3.158 10 30 CGEERN N#C[C@H]1CCC[C@H]1NC(=O)Nc1cccc2c1CCCC2 ZINC000408165436 260432106 /nfs/dbraw/zinc/43/21/06/260432106.db2.gz MHOFVAOIXWLRIR-UKRRQHHQSA-N 0 0 283.375 3.379 10 30 CGEERN Cc1ccc([C@@H](C)NC(=O)C2(C#N)CCCCC2)o1 ZINC000044766560 260647738 /nfs/dbraw/zinc/64/77/38/260647738.db2.gz HQTYTUWBSREXKO-GFCCVEGCSA-N 0 0 260.337 3.239 10 30 CGEERN C[C@@H]1CCc2sc(C(=O)N[C@@H]3CCC[C@H]3C#N)cc2C1 ZINC000408333871 260801933 /nfs/dbraw/zinc/80/19/33/260801933.db2.gz JEFUDJXWIOUYOM-NTZNESFSSA-N 0 0 288.416 3.295 10 30 CGEERN C[C@@H]1CCc2c(C(=O)N[C@H]3CCC[C@H]3C#N)csc2C1 ZINC000408333775 260801970 /nfs/dbraw/zinc/80/19/70/260801970.db2.gz IGHVQABYOHQFMI-SUNKGSAMSA-N 0 0 288.416 3.295 10 30 CGEERN C[C@H](CC#N)N(C)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000103443651 261283517 /nfs/dbraw/zinc/28/35/17/261283517.db2.gz ABJOIVGGHSTSAA-CYBMUJFWSA-N 0 0 288.391 3.123 10 30 CGEERN CO[C@@H](C)c1cccc(NC(=O)N2CCC(C#N)CC2)c1 ZINC000105032803 261306516 /nfs/dbraw/zinc/30/65/16/261306516.db2.gz FXSJPMCDTWSWQU-LBPRGKRZSA-N 0 0 287.363 3.161 10 30 CGEERN COc1cccc(/C=N/[C@@H](C)COCc2ccccc2)c1O ZINC000173989047 261552561 /nfs/dbraw/zinc/55/25/61/261552561.db2.gz YQLVSJMRIDLEAF-YRIIZNAFSA-N 0 0 299.370 3.425 10 30 CGEERN CC1(C#N)CCN(C(=O)N[C@H]2CCc3ccccc32)CC1 ZINC000272455408 263004781 /nfs/dbraw/zinc/00/47/81/263004781.db2.gz UDTWGYGDBKEBDX-HNNXBMFYSA-N 0 0 283.375 3.009 10 30 CGEERN CC(C)(C#N)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000334445453 263632912 /nfs/dbraw/zinc/63/29/12/263632912.db2.gz OIISZRVOBHSZEF-SNVBAGLBSA-N 0 0 260.303 3.343 10 30 CGEERN C=CCC[C@@H](NCc1nnc(CC)n1C)c1ccccc1 ZINC000180035760 264390273 /nfs/dbraw/zinc/39/02/73/264390273.db2.gz FXDACWNLEIBGJE-OAHLLOKOSA-N 0 0 284.407 3.175 10 30 CGEERN C[C@H]1C[C@@H]1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000103085227 270045486 /nfs/dbraw/zinc/04/54/86/270045486.db2.gz ZLLRJWHMJNORJB-SJCJKPOMSA-N 0 0 292.338 3.489 10 30 CGEERN C=CCSCCNC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116427553 267152167 /nfs/dbraw/zinc/15/21/67/267152167.db2.gz VFDXBDVAIBMWRG-GFCCVEGCSA-N 0 0 280.393 3.045 10 30 CGEERN CC(C)(C)OC(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000072191337 275827069 /nfs/dbraw/zinc/82/70/69/275827069.db2.gz GGOYCDNRCOQXSX-KGLIPLIRSA-N 0 0 272.348 3.161 10 30 CGEERN C=C[C@H](C)[C@@H](OC)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000095930505 277910583 /nfs/dbraw/zinc/91/05/83/277910583.db2.gz YENUXMRJCTVILI-RWMBFGLXSA-N 0 0 269.385 3.223 10 30 CGEERN C[C@H]1SCCN(c2ccc(F)cc2C#N)[C@H]1C ZINC000078292240 278532199 /nfs/dbraw/zinc/53/21/99/278532199.db2.gz DBEMMAWGZVRVBK-VHSXEESVSA-N 0 0 250.342 3.028 10 30 CGEERN C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1cccc(C#N)c1 ZINC000117566458 278548055 /nfs/dbraw/zinc/54/80/55/278548055.db2.gz DQYDGXFOHXSAJS-MEDUHNTESA-N 0 0 278.311 3.061 10 30 CGEERN C#CCCCCC(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000180291124 329219329 /nfs/dbraw/zinc/21/93/29/329219329.db2.gz BSWNBFVLADGPFZ-AWEZNQCLSA-N 0 0 290.432 3.351 10 30 CGEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1cc(Cl)sc1Cl ZINC000225119404 329247529 /nfs/dbraw/zinc/24/75/29/329247529.db2.gz CKAUAWCSJHPMDA-SVRRBLITSA-N 0 0 289.187 3.477 10 30 CGEERN C=C(C)CS(=O)(=O)N1CCCC[C@@H]1c1ccc(C)o1 ZINC000189661745 329384284 /nfs/dbraw/zinc/38/42/84/329384284.db2.gz VBRFFELAWIAKTN-CYBMUJFWSA-N 0 0 283.393 3.021 10 30 CGEERN C#CCC(C)(C)C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189811837 329389112 /nfs/dbraw/zinc/38/91/12/329389112.db2.gz RNLOGOCUCSNVLD-UHFFFAOYSA-N 0 0 297.398 3.131 10 30 CGEERN C=CCC[C@@H](CCC)[NH2+]C[C@@H](CC(C)C)C(=O)[O-] ZINC000263019980 330038925 /nfs/dbraw/zinc/03/89/25/330038925.db2.gz DWIPSSMTVWIEED-ZIAGYGMSSA-N 0 0 255.402 3.458 10 30 CGEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000225291471 333234721 /nfs/dbraw/zinc/23/47/21/333234721.db2.gz DOVDKNASVZXGRR-USZNOCQGSA-N 0 0 288.313 3.164 10 30 CGEERN C=CCC[C@H](NC(=O)[C@H]1CC[C@@H](C)O1)c1ccccc1 ZINC000134011570 334077328 /nfs/dbraw/zinc/07/73/28/334077328.db2.gz 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