smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Nc1ccc([O-])c(Cl)c1)c1ccccc1 ZINC000003076320 182359023 /nfs/dbraw/zinc/35/90/23/182359023.db2.gz SAYPWUIJIJBMCI-UHFFFAOYSA-N -1 1 247.681 3.298 20 0 BGADMM Cc1ccc(NC(=O)c2cc(F)ccc2[O-])cc1 ZINC000006522556 398040993 /nfs/dbraw/zinc/04/09/93/398040993.db2.gz FMUOWVTUGSPFER-UHFFFAOYSA-N -1 1 245.253 3.092 20 0 BGADMM O=C(Nc1cccc(Cl)c1)c1ccccc1[O-] ZINC000006567824 182368685 /nfs/dbraw/zinc/36/86/85/182368685.db2.gz AEICYOGNGQXPJB-UHFFFAOYSA-N -1 1 247.681 3.298 20 0 BGADMM CCc1ccccc1NC(=O)c1ccccc1[O-] ZINC000011639169 386991269 /nfs/dbraw/zinc/99/12/69/386991269.db2.gz GIIDADOPLFZRCN-UHFFFAOYSA-N -1 1 241.290 3.207 20 0 BGADMM CCc1ccc(NC(=O)c2ccccc2[O-])cc1 ZINC000011639170 386990056 /nfs/dbraw/zinc/99/00/56/386990056.db2.gz JERPWGKCGDPMJK-UHFFFAOYSA-N -1 1 241.290 3.207 20 0 BGADMM CCN(C(=O)c1ccccc1[O-])c1ccccc1 ZINC000011639205 347462960 /nfs/dbraw/zinc/46/29/60/347462960.db2.gz GCGZLKMWFUFKCI-UHFFFAOYSA-N -1 1 241.290 3.059 20 0 BGADMM CC(C)(C)NC(=O)c1ccc2ccccc2c1[O-] ZINC000019837033 347293914 /nfs/dbraw/zinc/29/39/14/347293914.db2.gz GONVEYFMXDVMKL-UHFFFAOYSA-N -1 1 243.306 3.074 20 0 BGADMM CC[C@@H](C)NC(=O)c1ccc2ccccc2c1[O-] ZINC000019837189 347294011 /nfs/dbraw/zinc/29/40/11/347294011.db2.gz IGKMXWZLNDZVBX-SNVBAGLBSA-N -1 1 243.306 3.074 20 0 BGADMM CC[C@H](C)NC(=O)c1ccc2ccccc2c1[O-] ZINC000019837191 171337196 /nfs/dbraw/zinc/33/71/96/171337196.db2.gz IGKMXWZLNDZVBX-JTQLQIEISA-N -1 1 243.306 3.074 20 0 BGADMM CC(C)N(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000019837645 384545055 /nfs/dbraw/zinc/54/50/55/384545055.db2.gz QFCDUBACBBSBPQ-UHFFFAOYSA-N -1 1 243.306 3.026 20 0 BGADMM CCCCNC(=O)c1ccc2ccccc2c1[O-] ZINC000019838383 385112702 /nfs/dbraw/zinc/11/27/02/385112702.db2.gz HORJKCKUVGBYPK-UHFFFAOYSA-N -1 1 243.306 3.075 20 0 BGADMM Cc1ccc(F)cc1NC(=O)c1ccccc1[O-] ZINC000019839815 347294604 /nfs/dbraw/zinc/29/46/04/347294604.db2.gz JGOWYGPDCQUMSH-UHFFFAOYSA-N -1 1 245.253 3.092 20 0 BGADMM Cc1cc(F)ccc1NC(=O)c1ccccc1[O-] ZINC000019840165 178089885 /nfs/dbraw/zinc/08/98/85/178089885.db2.gz LLZOUFONEXYXGK-UHFFFAOYSA-N -1 1 245.253 3.092 20 0 BGADMM CCc1cccc(NC(=O)c2ccccc2[O-])c1 ZINC000019840219 385117729 /nfs/dbraw/zinc/11/77/29/385117729.db2.gz XSTXBKPSBKGWMU-UHFFFAOYSA-N -1 1 241.290 3.207 20 0 BGADMM Cc1ccc(NC(=O)c2ccccc2[O-])c(F)c1 ZINC000020363067 259394912 /nfs/dbraw/zinc/39/49/12/259394912.db2.gz NUFXQZMGMSNLSX-UHFFFAOYSA-N -1 1 245.253 3.092 20 0 BGADMM Cc1ccc(F)c(NC(=O)c2ccccc2[O-])c1 ZINC000020363081 259395335 /nfs/dbraw/zinc/39/53/35/259395335.db2.gz ISOHZKOQJJUANN-UHFFFAOYSA-N -1 1 245.253 3.092 20 0 BGADMM CC(C)(C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000034289354 342881263 /nfs/dbraw/zinc/88/12/63/342881263.db2.gz YJUJLNLXNYGTIC-UHFFFAOYSA-N -1 1 227.691 3.030 20 0 BGADMM O=C(CSc1ccccc1)c1ccc([O-])cc1 ZINC000035044928 357962566 /nfs/dbraw/zinc/96/25/66/357962566.db2.gz PIKRXSKUGBADMO-UHFFFAOYSA-N -1 1 244.315 3.367 20 0 BGADMM CC(C)(C)NC(=O)c1cc2ccccc2cc1[O-] ZINC000035152000 387554314 /nfs/dbraw/zinc/55/43/14/387554314.db2.gz AUPPDBVXSJNWED-UHFFFAOYSA-N -1 1 243.306 3.074 20 0 BGADMM CC(C)N(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000035220222 343290166 /nfs/dbraw/zinc/29/01/66/343290166.db2.gz UPZAMIHPDRXFQW-UHFFFAOYSA-N -1 1 243.306 3.026 20 0 BGADMM CCCN(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000036819329 169061626 /nfs/dbraw/zinc/06/16/26/169061626.db2.gz LRILQXAAIQNALG-UHFFFAOYSA-N -1 1 243.306 3.027 20 0 BGADMM CCCN(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000037098741 169061363 /nfs/dbraw/zinc/06/13/63/169061363.db2.gz CNHPEEBEZBTLMY-UHFFFAOYSA-N -1 1 243.306 3.027 20 0 BGADMM Cc1c(F)cccc1NC(=O)c1ccccc1[O-] ZINC000043322332 322839170 /nfs/dbraw/zinc/83/91/70/322839170.db2.gz AWGRJVYMCAEDPV-UHFFFAOYSA-N -1 1 245.253 3.092 20 0 BGADMM CCCCCCN1Cc2ccc(C(=O)[O-])cc2C1 ZINC000058010486 600712702 /nfs/dbraw/zinc/71/27/02/600712702.db2.gz FTWJLQDWUNBRQM-UHFFFAOYSA-N -1 1 247.338 3.281 20 0 BGADMM Cc1cc(NC(=O)c2ccccc2[O-])ccc1F ZINC000061120423 178151906 /nfs/dbraw/zinc/15/19/06/178151906.db2.gz ZVYSZIRHKXIVDY-UHFFFAOYSA-N -1 1 245.253 3.092 20 0 BGADMM CC(C)[C@H]([N-]C(=O)C(F)(F)F)c1ccccc1 ZINC000070266894 188130558 /nfs/dbraw/zinc/13/05/58/188130558.db2.gz GMCUPAQHPWBZLK-JTQLQIEISA-N -1 1 245.244 3.062 20 0 BGADMM CC(C)[C@@H]([N-]C(=O)C(F)(F)F)c1ccccc1 ZINC000070266895 384095552 /nfs/dbraw/zinc/09/55/52/384095552.db2.gz GMCUPAQHPWBZLK-SNVBAGLBSA-N -1 1 245.244 3.062 20 0 BGADMM CCC(C)(C)CC(=O)Nc1c([O-])cccc1F ZINC000073145239 342843713 /nfs/dbraw/zinc/84/37/13/342843713.db2.gz HYLFTSTZHZSZBP-UHFFFAOYSA-N -1 1 239.290 3.296 20 0 BGADMM Cc1ncsc1/C=C/C(=O)c1ccc([O-])cc1 ZINC000078691809 641945040 /nfs/dbraw/zinc/94/50/40/641945040.db2.gz BZQSZNWKYUGQRA-VOTSOKGWSA-N -1 1 245.303 3.053 20 0 BGADMM Cc1ccc(C(=O)Nc2c([O-])cccc2F)cc1 ZINC000078807077 388685591 /nfs/dbraw/zinc/68/55/91/388685591.db2.gz JUOSBJVGRGFVFH-UHFFFAOYSA-N -1 1 245.253 3.092 20 0 BGADMM O=C(Nc1ccc([O-])c(Cl)c1)C1CCCC1 ZINC000082192625 182359064 /nfs/dbraw/zinc/35/90/64/182359064.db2.gz KNHUNSDGBHXGPO-UHFFFAOYSA-N -1 1 239.702 3.174 20 0 BGADMM CC(C)CC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000082192763 384216954 /nfs/dbraw/zinc/21/69/54/384216954.db2.gz PILAOKRQOQWUIS-UHFFFAOYSA-N -1 1 227.691 3.030 20 0 BGADMM CC(C)(C)CC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000082192962 388018002 /nfs/dbraw/zinc/01/80/02/388018002.db2.gz PRAJZZVNHWTTDG-UHFFFAOYSA-N -1 1 241.718 3.420 20 0 BGADMM CC(C)CCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000082193074 384650859 /nfs/dbraw/zinc/65/08/59/384650859.db2.gz ZDHFWUQEHIQWDZ-UHFFFAOYSA-N -1 1 241.718 3.420 20 0 BGADMM C/C=C/C=C/C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000082194488 325532307 /nfs/dbraw/zinc/53/23/07/325532307.db2.gz NDNRPADMJPQUNE-MQQKCMAXSA-N -1 1 237.686 3.116 20 0 BGADMM CC/C=C(/C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000082879645 631418319 /nfs/dbraw/zinc/41/83/19/631418319.db2.gz WZEZHZFIRWGFGZ-YWEYNIOJSA-N -1 1 239.702 3.340 20 0 BGADMM CCC[C@@H](C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000082879656 169352691 /nfs/dbraw/zinc/35/26/91/169352691.db2.gz SWKFITYCKSWXLO-MRVPVSSYSA-N -1 1 241.718 3.420 20 0 BGADMM CCC[C@H](C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000082879658 384722380 /nfs/dbraw/zinc/72/23/80/384722380.db2.gz SWKFITYCKSWXLO-QMMMGPOBSA-N -1 1 241.718 3.420 20 0 BGADMM CC(C)[C@@H](C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000082879662 167354759 /nfs/dbraw/zinc/35/47/59/167354759.db2.gz GTMSBDGTUIWKCV-MRVPVSSYSA-N -1 1 241.718 3.276 20 0 BGADMM CC(C)[C@H](C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000082879664 384723524 /nfs/dbraw/zinc/72/35/24/384723524.db2.gz GTMSBDGTUIWKCV-QMMMGPOBSA-N -1 1 241.718 3.276 20 0 BGADMM CCC(CC)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000082879670 168341888 /nfs/dbraw/zinc/34/18/88/168341888.db2.gz NAKZPWWWZKVEDE-UHFFFAOYSA-N -1 1 241.718 3.420 20 0 BGADMM CC[C@@H](C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000082879675 384723794 /nfs/dbraw/zinc/72/37/94/384723794.db2.gz PNUFLAJUPLZCRX-SSDOTTSWSA-N -1 1 227.691 3.030 20 0 BGADMM CC[C@H](C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000082879676 171255912 /nfs/dbraw/zinc/25/59/12/171255912.db2.gz PNUFLAJUPLZCRX-ZETCQYMHSA-N -1 1 227.691 3.030 20 0 BGADMM CCCCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000082879679 384274416 /nfs/dbraw/zinc/27/44/16/384274416.db2.gz HXTNETLFYWPQAZ-UHFFFAOYSA-N -1 1 227.691 3.174 20 0 BGADMM CCC(C)(C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000082879695 168268972 /nfs/dbraw/zinc/26/89/72/168268972.db2.gz CZEBZSNIQRLSPR-UHFFFAOYSA-N -1 1 241.718 3.420 20 0 BGADMM CCO[N-]C(=O)[C@@H](C)c1ccc2ccccc2c1 ZINC000084580346 384882151 /nfs/dbraw/zinc/88/21/51/384882151.db2.gz ARXDJNSLCXIVAK-NSHDSACASA-N -1 1 243.306 3.011 20 0 BGADMM CCO[N-]C(=O)[C@H](C)c1ccc2ccccc2c1 ZINC000084580347 384882984 /nfs/dbraw/zinc/88/29/84/384882984.db2.gz ARXDJNSLCXIVAK-LLVKDONJSA-N -1 1 243.306 3.011 20 0 BGADMM CC(C)(C)/C=C/C(=O)Nc1c([O-])cccc1F ZINC000089541523 644556696 /nfs/dbraw/zinc/55/66/96/644556696.db2.gz JHOUGCNDCMSDCH-BQYQJAHWSA-N -1 1 237.274 3.072 20 0 BGADMM Cc1cc(F)cc(NC(=O)c2ccccc2[O-])c1 ZINC000091516347 256583392 /nfs/dbraw/zinc/58/33/92/256583392.db2.gz ZAFOLWBOFVEKAY-UHFFFAOYSA-N -1 1 245.253 3.092 20 0 BGADMM CCc1cc(=O)n(-c2ccc(C)c(Cl)c2)[n-]1 ZINC000100216802 384623655 /nfs/dbraw/zinc/62/36/55/384623655.db2.gz KNKRXCVMGJYJDN-UHFFFAOYSA-N -1 1 236.702 3.151 20 0 BGADMM CCc1c(C)[n-]n(-c2ccc(Cl)cc2)c1=O ZINC000100216811 384624351 /nfs/dbraw/zinc/62/43/51/384624351.db2.gz FJZFMFSNYMBILI-LLVKDONJSA-N -1 1 236.702 3.089 20 0 BGADMM CCc1c(C)[n-]n(-c2ccc(Cl)cc2)c1=O ZINC000100216814 344409987 /nfs/dbraw/zinc/40/99/87/344409987.db2.gz FJZFMFSNYMBILI-NSHDSACASA-N -1 1 236.702 3.089 20 0 BGADMM CCc1c(C)[n-]n(-c2ccc(C)cc2C)c1=O ZINC000100216817 344409931 /nfs/dbraw/zinc/40/99/31/344409931.db2.gz PDBHWJRVHIPXPA-LBPRGKRZSA-N -1 1 230.311 3.052 20 0 BGADMM CCc1c(C)[n-]n(-c2ccc(C)cc2C)c1=O ZINC000100216820 384623419 /nfs/dbraw/zinc/62/34/19/384623419.db2.gz PDBHWJRVHIPXPA-GFCCVEGCSA-N -1 1 230.311 3.052 20 0 BGADMM CCCc1cc(=O)n(-c2ccc(C)cc2C)[n-]1 ZINC000101633727 410781702 /nfs/dbraw/zinc/78/17/02/410781702.db2.gz GLXGGBGIZQGANP-UHFFFAOYSA-N -1 1 230.311 3.196 20 0 BGADMM CCCc1cc(=O)n(-c2cc(C)cc(C)c2)[n-]1 ZINC000102305229 410829550 /nfs/dbraw/zinc/82/95/50/410829550.db2.gz YLDPDLWHASLDPS-UHFFFAOYSA-N -1 1 230.311 3.196 20 0 BGADMM CCCc1cc(=O)n(-c2cc(C)ccc2C)[n-]1 ZINC000103032208 410873814 /nfs/dbraw/zinc/87/38/14/410873814.db2.gz KMPHWUJLRWVENF-UHFFFAOYSA-N -1 1 230.311 3.196 20 0 BGADMM CCc1c(C)[n-]n(-c2cccc(Cl)c2)c1=O ZINC000103316161 410889275 /nfs/dbraw/zinc/88/92/75/410889275.db2.gz XCVGPFJLYXRNLE-LLVKDONJSA-N -1 1 236.702 3.089 20 0 BGADMM CCc1c(C)[n-]n(-c2cccc(Cl)c2)c1=O ZINC000103316163 410889490 /nfs/dbraw/zinc/88/94/90/410889490.db2.gz XCVGPFJLYXRNLE-NSHDSACASA-N -1 1 236.702 3.089 20 0 BGADMM CCc1c(C)[n-]n(-c2cc(C)cc(C)c2)c1=O ZINC000103316183 410888331 /nfs/dbraw/zinc/88/83/31/410888331.db2.gz BFZOGIDJFQJYPP-CYBMUJFWSA-N -1 1 230.311 3.052 20 0 BGADMM CCc1c(C)[n-]n(-c2cc(C)cc(C)c2)c1=O ZINC000103316185 410889597 /nfs/dbraw/zinc/88/95/97/410889597.db2.gz BFZOGIDJFQJYPP-ZDUSSCGKSA-N -1 1 230.311 3.052 20 0 BGADMM CCc1c(C)[n-]n(-c2ccccc2Cl)c1=O ZINC000103464180 410899266 /nfs/dbraw/zinc/89/92/66/410899266.db2.gz QLWAFULKVDMDAA-SECBINFHSA-N -1 1 236.702 3.089 20 0 BGADMM CCc1c(C)[n-]n(-c2ccccc2Cl)c1=O ZINC000103464182 411441806 /nfs/dbraw/zinc/44/18/06/411441806.db2.gz QLWAFULKVDMDAA-VIFPVBQESA-N -1 1 236.702 3.089 20 0 BGADMM O=c1c2c([n-]n1C1CCCCCC1)CCCC2 ZINC000104709114 410947891 /nfs/dbraw/zinc/94/78/91/410947891.db2.gz ZDMGFURFMPHGDY-GFCCVEGCSA-N -1 1 234.343 3.098 20 0 BGADMM O=c1c2c([n-]n1C1CCCCCC1)CCCC2 ZINC000104709118 410948825 /nfs/dbraw/zinc/94/88/25/410948825.db2.gz ZDMGFURFMPHGDY-LBPRGKRZSA-N -1 1 234.343 3.098 20 0 BGADMM CCc1c(C)[n-]n(-c2cc(C)ccc2C)c1=O ZINC000104742385 410955304 /nfs/dbraw/zinc/95/53/04/410955304.db2.gz YHDWXQFBWLANLA-GFCCVEGCSA-N -1 1 230.311 3.052 20 0 BGADMM CCc1c(C)[n-]n(-c2cc(C)ccc2C)c1=O ZINC000104742388 410955651 /nfs/dbraw/zinc/95/56/51/410955651.db2.gz YHDWXQFBWLANLA-LBPRGKRZSA-N -1 1 230.311 3.052 20 0 BGADMM O=c1c2c([n-]n1C1CCCCC1)CCCCC2 ZINC000109522601 490163208 /nfs/dbraw/zinc/16/32/08/490163208.db2.gz OASPEMCWSPOHEF-GFCCVEGCSA-N -1 1 234.343 3.098 20 0 BGADMM O=c1c2c([n-]n1C1CCCCC1)CCCCC2 ZINC000109522603 490163485 /nfs/dbraw/zinc/16/34/85/490163485.db2.gz OASPEMCWSPOHEF-LBPRGKRZSA-N -1 1 234.343 3.098 20 0 BGADMM O=c1c2c([n-]n1C1CCCCCC1)CCCCC2 ZINC000109522606 490163234 /nfs/dbraw/zinc/16/32/34/490163234.db2.gz AXGDWZLYMYJHFH-CYBMUJFWSA-N -1 1 248.370 3.488 20 0 BGADMM O=c1c2c([n-]n1C1CCCCCC1)CCCCC2 ZINC000109522608 490162957 /nfs/dbraw/zinc/16/29/57/490162957.db2.gz AXGDWZLYMYJHFH-ZDUSSCGKSA-N -1 1 248.370 3.488 20 0 BGADMM CCc1noc(-c2ccc3ccccc3c2[O-])n1 ZINC000111687480 323162631 /nfs/dbraw/zinc/16/26/31/323162631.db2.gz WRUQNIMBWNPPBU-UHFFFAOYSA-N -1 1 240.262 3.158 20 0 BGADMM CCCc1cc(=O)n(-c2ccc(F)cc2C)[n-]1 ZINC000111739172 582818069 /nfs/dbraw/zinc/81/80/69/582818069.db2.gz HJQYADVGGXNYRV-UHFFFAOYSA-N -1 1 234.274 3.027 20 0 BGADMM CC[C@H]([N-]C(=O)C(F)(F)F)c1ccc(C)cc1 ZINC000112019688 588780426 /nfs/dbraw/zinc/78/04/26/588780426.db2.gz AYNGINRNOLVRQM-JTQLQIEISA-N -1 1 245.244 3.125 20 0 BGADMM CC[C@@H]([N-]C(=O)C(F)(F)F)c1ccc(C)cc1 ZINC000112019691 588780664 /nfs/dbraw/zinc/78/06/64/588780664.db2.gz AYNGINRNOLVRQM-SNVBAGLBSA-N -1 1 245.244 3.125 20 0 BGADMM CCC[C@H]([N-]C(=O)C(F)(F)F)c1ccccc1 ZINC000112020043 384782121 /nfs/dbraw/zinc/78/21/21/384782121.db2.gz FBUYFLIVHUQHQA-JTQLQIEISA-N -1 1 245.244 3.206 20 0 BGADMM CCC[C@@H]([N-]C(=O)C(F)(F)F)c1ccccc1 ZINC000112020046 169394725 /nfs/dbraw/zinc/39/47/25/169394725.db2.gz FBUYFLIVHUQHQA-SNVBAGLBSA-N -1 1 245.244 3.206 20 0 BGADMM CC[C@H]([N-]C(=O)C(F)(F)F)C1CCCCC1 ZINC000112023242 588780608 /nfs/dbraw/zinc/78/06/08/588780608.db2.gz AIWBKHIXLQHIKY-VIFPVBQESA-N -1 1 237.265 3.024 20 0 BGADMM CC[C@@H]([N-]C(=O)C(F)(F)F)C1CCCCC1 ZINC000112023244 588780659 /nfs/dbraw/zinc/78/06/59/588780659.db2.gz AIWBKHIXLQHIKY-SECBINFHSA-N -1 1 237.265 3.024 20 0 BGADMM 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VDNNSCZFVVHCKX-UHFFFAOYSA-N -1 1 246.282 3.012 20 0 BGADMM CC(C)=CCSc1nc(C2CC2)cc(=O)[n-]1 ZINC000521597123 388618198 /nfs/dbraw/zinc/61/81/98/388618198.db2.gz QIJFASSTKPKXDP-UHFFFAOYSA-N -1 1 236.340 3.118 20 0 BGADMM CC(C)CCSc1nc(C2CC2)cc(=O)[n-]1 ZINC000526068014 323156637 /nfs/dbraw/zinc/15/66/37/323156637.db2.gz JSGDYJVFPOEDDR-UHFFFAOYSA-N -1 1 238.356 3.198 20 0 BGADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1CCCC12CC2 ZINC000528906074 388583009 /nfs/dbraw/zinc/58/30/09/388583009.db2.gz ZERTWRSTSBCYAU-JTQLQIEISA-N -1 1 249.285 3.050 20 0 BGADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1CCCC12CC2 ZINC000528906083 262979757 /nfs/dbraw/zinc/97/97/57/262979757.db2.gz ZERTWRSTSBCYAU-SNVBAGLBSA-N -1 1 249.285 3.050 20 0 BGADMM C[C@]1(C(=O)Nc2cccc(F)c2[O-])CC=CCC1 ZINC000530003824 388603192 /nfs/dbraw/zinc/60/31/92/388603192.db2.gz DNLVJONRPHEHOZ-AWEZNQCLSA-N -1 1 249.285 3.216 20 0 BGADMM C[C@@]1(C(=O)Nc2cccc(F)c2[O-])CC=CCC1 ZINC000530003826 388603086 /nfs/dbraw/zinc/60/30/86/388603086.db2.gz DNLVJONRPHEHOZ-CQSZACIVSA-N -1 1 249.285 3.216 20 0 BGADMM O=C(Nc1cccc(F)c1[O-])C1CC2(CCC2)C1 ZINC000530003860 388602983 /nfs/dbraw/zinc/60/29/83/388602983.db2.gz FKBLFJFCDLOVCL-UHFFFAOYSA-N -1 1 249.285 3.050 20 0 BGADMM CCC(CC)CC(=O)Nc1cccc(F)c1[O-] ZINC000530004087 323195594 /nfs/dbraw/zinc/19/55/94/323195594.db2.gz ADQJSJISYXKAPK-UHFFFAOYSA-N -1 1 239.290 3.296 20 0 BGADMM CC(C)C[C@@H](C)C(=O)Nc1cccc(F)c1[O-] ZINC000530004123 388603232 /nfs/dbraw/zinc/60/32/32/388603232.db2.gz BHLVDAFCKXIYTD-SECBINFHSA-N -1 1 239.290 3.152 20 0 BGADMM CC(C)C[C@H](C)C(=O)Nc1cccc(F)c1[O-] ZINC000530004124 324452046 /nfs/dbraw/zinc/45/20/46/324452046.db2.gz BHLVDAFCKXIYTD-VIFPVBQESA-N -1 1 239.290 3.152 20 0 BGADMM CCC1(C(=O)Nc2cccc(F)c2[O-])CCC1 ZINC000530004607 324453097 /nfs/dbraw/zinc/45/30/97/324453097.db2.gz FBYVWLRPNNQUJE-UHFFFAOYSA-N -1 1 237.274 3.050 20 0 BGADMM O=C(C[C@H]1C=CCCC1)Nc1cccc(F)c1[O-] ZINC000530005005 388602993 /nfs/dbraw/zinc/60/29/93/388602993.db2.gz 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CC(C)(C)CCC(=O)Nc1c([O-])cccc1F ZINC000608366706 355378895 /nfs/dbraw/zinc/37/88/95/355378895.db2.gz WHHRNQWFPQHOPH-UHFFFAOYSA-N -1 1 239.290 3.296 20 0 BGADMM O=C(CC1=CCCCC1)Nc1c([O-])cccc1F ZINC000608367372 355379950 /nfs/dbraw/zinc/37/99/50/355379950.db2.gz PJYIUPCPCIBPFX-UHFFFAOYSA-N -1 1 249.285 3.360 20 0 BGADMM CCC[C@@H](C)CC(=O)Nc1c([O-])cccc1F ZINC000608367387 355380112 /nfs/dbraw/zinc/38/01/12/355380112.db2.gz XWGLUWBDFPEOKT-SECBINFHSA-N -1 1 239.290 3.296 20 0 BGADMM CCC[C@H](C)CC(=O)Nc1c([O-])cccc1F ZINC000608367388 355380070 /nfs/dbraw/zinc/38/00/70/355380070.db2.gz XWGLUWBDFPEOKT-VIFPVBQESA-N -1 1 239.290 3.296 20 0 BGADMM CCCc1c(C)[n-]n(-c2cc(C)cc(C)c2)c1=O ZINC000614185235 363747846 /nfs/dbraw/zinc/74/78/46/363747846.db2.gz JIRMZIVPYDWMRQ-AWEZNQCLSA-N -1 1 244.338 3.442 20 0 BGADMM CCCc1c(C)[n-]n(-c2cc(C)cc(C)c2)c1=O ZINC000614185236 363747559 /nfs/dbraw/zinc/74/75/59/363747559.db2.gz JIRMZIVPYDWMRQ-CQSZACIVSA-N -1 1 244.338 3.442 20 0 BGADMM CCCc1c(C)[n-]n(-c2ccc(C)cc2)c1=O ZINC000614185256 363747377 /nfs/dbraw/zinc/74/73/77/363747377.db2.gz KIUIGASDQJVUQQ-CYBMUJFWSA-N -1 1 230.311 3.134 20 0 BGADMM CCCc1c(C)[n-]n(-c2ccc(C)cc2)c1=O ZINC000614185257 363747247 /nfs/dbraw/zinc/74/72/47/363747247.db2.gz KIUIGASDQJVUQQ-ZDUSSCGKSA-N -1 1 230.311 3.134 20 0 BGADMM CCCc1c(C)[n-]n(-c2cc(C)ccc2C)c1=O ZINC000614185639 363747265 /nfs/dbraw/zinc/74/72/65/363747265.db2.gz QCKVQOWVUOTNLT-CYBMUJFWSA-N -1 1 244.338 3.442 20 0 BGADMM CCCc1c(C)[n-]n(-c2cc(C)ccc2C)c1=O ZINC000614185640 363747078 /nfs/dbraw/zinc/74/70/78/363747078.db2.gz QCKVQOWVUOTNLT-ZDUSSCGKSA-N -1 1 244.338 3.442 20 0 BGADMM CCCc1c(C)[n-]n(-c2ccc(C)cc2C)c1=O ZINC000614185653 363748367 /nfs/dbraw/zinc/74/83/67/363748367.db2.gz QQOGSWVSZQODDL-CYBMUJFWSA-N -1 1 244.338 3.442 20 0 BGADMM CCCc1c(C)[n-]n(-c2ccc(C)cc2C)c1=O ZINC000614185654 363749103 /nfs/dbraw/zinc/74/91/03/363749103.db2.gz QQOGSWVSZQODDL-ZDUSSCGKSA-N -1 1 244.338 3.442 20 0 BGADMM CCCc1c(C)[n-]n(-c2cccc(C)c2)c1=O ZINC000614185658 363748475 /nfs/dbraw/zinc/74/84/75/363748475.db2.gz RIKBAAMPZMAKJO-CYBMUJFWSA-N -1 1 230.311 3.134 20 0 BGADMM CCCc1c(C)[n-]n(-c2cccc(C)c2)c1=O ZINC000614185659 363748437 /nfs/dbraw/zinc/74/84/37/363748437.db2.gz RIKBAAMPZMAKJO-ZDUSSCGKSA-N -1 1 230.311 3.134 20 0 BGADMM CCCc1c(C)[n-]n(-c2ccccc2C)c1=O ZINC000614185888 363748522 /nfs/dbraw/zinc/74/85/22/363748522.db2.gz ZJHNBWDHKFWWPC-GFCCVEGCSA-N -1 1 230.311 3.134 20 0 BGADMM CCCc1c(C)[n-]n(-c2ccccc2C)c1=O ZINC000614185890 363748967 /nfs/dbraw/zinc/74/89/67/363748967.db2.gz ZJHNBWDHKFWWPC-LBPRGKRZSA-N -1 1 230.311 3.134 20 0 BGADMM CCCc1c(C)[n-]n(-c2ccccc2CC)c1=O ZINC000614186416 363748417 /nfs/dbraw/zinc/74/84/17/363748417.db2.gz AFEHWZZGHKMGPA-CYBMUJFWSA-N -1 1 244.338 3.388 20 0 BGADMM CCCc1c(C)[n-]n(-c2ccccc2CC)c1=O ZINC000614186417 363748844 /nfs/dbraw/zinc/74/88/44/363748844.db2.gz AFEHWZZGHKMGPA-ZDUSSCGKSA-N -1 1 244.338 3.388 20 0 BGADMM CCCc1c(C)[n-]n(Cc2ccc(C)cc2)c1=O ZINC000614186508 363749083 /nfs/dbraw/zinc/74/90/83/363749083.db2.gz DJLLDVDWZSKAFL-AWEZNQCLSA-N -1 1 244.338 3.129 20 0 BGADMM CCCc1c(C)[n-]n(Cc2ccc(C)cc2)c1=O ZINC000614186510 363748064 /nfs/dbraw/zinc/74/80/64/363748064.db2.gz DJLLDVDWZSKAFL-CQSZACIVSA-N -1 1 244.338 3.129 20 0 BGADMM CCc1cc(=O)n(-c2cccc(Cl)c2C)[n-]1 ZINC000614189112 363750040 /nfs/dbraw/zinc/75/00/40/363750040.db2.gz KVVJREICTOXQJF-UHFFFAOYSA-N -1 1 236.702 3.151 20 0 BGADMM CCC(F)(F)CNCc1cccc([O-])c1Cl ZINC000623678964 388614280 /nfs/dbraw/zinc/61/42/80/388614280.db2.gz CTUBASQAYHJGSS-UHFFFAOYSA-N -1 1 249.688 3.181 20 0 BGADMM O=C(Nc1c([O-])cccc1F)[C@H]1CCCC12CC2 ZINC000626277932 350778665 /nfs/dbraw/zinc/77/86/65/350778665.db2.gz XYOARPQHGJCUQW-SECBINFHSA-N -1 1 249.285 3.050 20 0 BGADMM O=C(Nc1c([O-])cccc1F)[C@@H]1CCCC12CC2 ZINC000626277933 350778541 /nfs/dbraw/zinc/77/85/41/350778541.db2.gz XYOARPQHGJCUQW-VIFPVBQESA-N -1 1 249.285 3.050 20 0 BGADMM CCCC[C@@H](C)C(=O)Nc1cccc(F)c1[O-] ZINC000628959777 360772344 /nfs/dbraw/zinc/77/23/44/360772344.db2.gz BJZXPEURGNNQAI-SECBINFHSA-N -1 1 239.290 3.296 20 0 BGADMM CCCC[C@H](C)C(=O)Nc1cccc(F)c1[O-] ZINC000628959779 360772397 /nfs/dbraw/zinc/77/23/97/360772397.db2.gz BJZXPEURGNNQAI-VIFPVBQESA-N -1 1 239.290 3.296 20 0 BGADMM C[C@@H]1CC=C(C(=O)Nc2cccc(F)c2[O-])CC1 ZINC000628959787 360772181 /nfs/dbraw/zinc/77/21/81/360772181.db2.gz AKAZZBBNJPDWNY-SECBINFHSA-N -1 1 249.285 3.216 20 0 BGADMM C[C@H]1CC=C(C(=O)Nc2cccc(F)c2[O-])CC1 ZINC000628959789 360772592 /nfs/dbraw/zinc/77/25/92/360772592.db2.gz AKAZZBBNJPDWNY-VIFPVBQESA-N -1 1 249.285 3.216 20 0 BGADMM CC[C@@H](C)CCC(=O)Nc1cccc(F)c1[O-] ZINC000628959938 360772384 /nfs/dbraw/zinc/77/23/84/360772384.db2.gz NKIKTNYJFQHFFK-SECBINFHSA-N -1 1 239.290 3.296 20 0 BGADMM CC[C@H](C)CCC(=O)Nc1cccc(F)c1[O-] ZINC000628959940 360773575 /nfs/dbraw/zinc/77/35/75/360773575.db2.gz NKIKTNYJFQHFFK-VIFPVBQESA-N -1 1 239.290 3.296 20 0 BGADMM CCC(C)(CC)C(=O)Nc1cccc(F)c1[O-] ZINC000628959953 360773506 /nfs/dbraw/zinc/77/35/06/360773506.db2.gz NNOJSECNSRPANR-UHFFFAOYSA-N -1 1 239.290 3.296 20 0 BGADMM O=C(Nc1cccc(F)c1[O-])C1=CCCCCC1 ZINC000628959986 360773528 /nfs/dbraw/zinc/77/35/28/360773528.db2.gz OAXSEFGTSWKVOR-UHFFFAOYSA-N -1 1 249.285 3.360 20 0 BGADMM O=C(CCCC1CC1)Nc1cccc(F)c1[O-] ZINC000628960094 360773307 /nfs/dbraw/zinc/77/33/07/360773307.db2.gz TWOSDZREEAACGB-UHFFFAOYSA-N -1 1 237.274 3.050 20 0 BGADMM CC(C)CCCC(=O)Nc1cccc(F)c1[O-] ZINC000628960169 360773612 /nfs/dbraw/zinc/77/36/12/360773612.db2.gz YRWWEMVTZKBVPO-UHFFFAOYSA-N -1 1 239.290 3.296 20 0 BGADMM CCC[C@@H](C)CC(=O)Nc1cccc(F)c1[O-] ZINC000628960355 360773236 /nfs/dbraw/zinc/77/32/36/360773236.db2.gz DVXBBCAFNZUSRZ-SECBINFHSA-N -1 1 239.290 3.296 20 0 BGADMM CCC[C@H](C)CC(=O)Nc1cccc(F)c1[O-] ZINC000628960359 360773248 /nfs/dbraw/zinc/77/32/48/360773248.db2.gz DVXBBCAFNZUSRZ-VIFPVBQESA-N -1 1 239.290 3.296 20 0 BGADMM O=C(Nc1cccc(F)c1[O-])[C@H]1CCCC12CC2 ZINC000628960379 360773567 /nfs/dbraw/zinc/77/35/67/360773567.db2.gz OOBFBRICQPUZET-SECBINFHSA-N -1 1 249.285 3.050 20 0 BGADMM O=C(Nc1cccc(F)c1[O-])[C@@H]1CCCC12CC2 ZINC000628960380 360773059 /nfs/dbraw/zinc/77/30/59/360773059.db2.gz OOBFBRICQPUZET-VIFPVBQESA-N -1 1 249.285 3.050 20 0 BGADMM CCCC(C)(C)C(=O)Nc1cccc(F)c1[O-] ZINC000628960391 360773545 /nfs/dbraw/zinc/77/35/45/360773545.db2.gz OWKRXYSSYMSMNP-UHFFFAOYSA-N -1 1 239.290 3.296 20 0 BGADMM CCCCCC(=O)Nc1cccc(F)c1[O-] ZINC000628961080 360774237 /nfs/dbraw/zinc/77/42/37/360774237.db2.gz OJGHJSZXMZIXBJ-UHFFFAOYSA-N -1 1 225.263 3.050 20 0 BGADMM Cc1cnc(SCC2CC(C)(C)C2)[n-]c1=O ZINC000629179340 360926764 /nfs/dbraw/zinc/92/67/64/360926764.db2.gz CPONCMGKDSGDNK-UHFFFAOYSA-N -1 1 238.356 3.019 20 0 BGADMM Cc1cnc(S[C@@H]2CCCC[C@H]2C)[n-]c1=O ZINC000629180251 360927556 /nfs/dbraw/zinc/92/75/56/360927556.db2.gz KKWQZIKLNWOITA-PSASIEDQSA-N -1 1 238.356 3.161 20 0 BGADMM Cc1cnc(S[C@H]2CCCC[C@H]2C)[n-]c1=O ZINC000629180254 360927234 /nfs/dbraw/zinc/92/72/34/360927234.db2.gz KKWQZIKLNWOITA-SCZZXKLOSA-N -1 1 238.356 3.161 20 0 BGADMM Cc1cnc(S[C@@H]2CCCC[C@@H]2C)[n-]c1=O ZINC000629180257 360928131 /nfs/dbraw/zinc/92/81/31/360928131.db2.gz KKWQZIKLNWOITA-WCBMZHEXSA-N -1 1 238.356 3.161 20 0 BGADMM Cc1cnc(S[C@H]2CCCC[C@@H]2C)[n-]c1=O ZINC000629180259 360928012 /nfs/dbraw/zinc/92/80/12/360928012.db2.gz KKWQZIKLNWOITA-WPRPVWTQSA-N -1 1 238.356 3.161 20 0 BGADMM CC[C@@H](C)Cc1nc(=O)c2sc(C)cc2[n-]1 ZINC000630384724 364097176 /nfs/dbraw/zinc/09/71/76/364097176.db2.gz GFWCAYDDTDDOFI-SSDOTTSWSA-N -1 1 236.340 3.294 20 0 BGADMM CC[C@H](C)Cc1nc(=O)c2sc(C)cc2[n-]1 ZINC000630384725 364097470 /nfs/dbraw/zinc/09/74/70/364097470.db2.gz GFWCAYDDTDDOFI-ZETCQYMHSA-N -1 1 236.340 3.294 20 0 BGADMM CCc1cc(=O)[n-]c(SC2CC(C)(C)C2)n1 ZINC000631019986 370913923 /nfs/dbraw/zinc/91/39/23/370913923.db2.gz WNHSCUYOXQPURF-UHFFFAOYSA-N -1 1 238.356 3.025 20 0 BGADMM Cc1nc(SC2CCC2)[n-]c(=O)c1C1CC1 ZINC000631023612 370929024 /nfs/dbraw/zinc/92/90/24/370929024.db2.gz BYBOREFCFLEGHQ-UHFFFAOYSA-N -1 1 236.340 3.013 20 0 BGADMM CC[C@@H](C)Sc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000631024723 370934586 /nfs/dbraw/zinc/93/45/86/370934586.db2.gz YRODXQCSIWCZJF-SSDOTTSWSA-N -1 1 238.356 3.259 20 0 BGADMM CC[C@H](C)Sc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000631024725 370934216 /nfs/dbraw/zinc/93/42/16/370934216.db2.gz YRODXQCSIWCZJF-ZETCQYMHSA-N -1 1 238.356 3.259 20 0 BGADMM CCCCSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000631024893 370934549 /nfs/dbraw/zinc/93/45/49/370934549.db2.gz IGOXEAPCDBKJNH-UHFFFAOYSA-N -1 1 238.356 3.260 20 0 BGADMM Cc1nc(SCC(C)C)[n-]c(=O)c1C1CC1 ZINC000631025703 370941471 /nfs/dbraw/zinc/94/14/71/370941471.db2.gz XWFURAMHXNDKFK-UHFFFAOYSA-N -1 1 238.356 3.116 20 0 BGADMM CCc1c(=O)n(-c2ccccc2)[n-]c1C(C)C ZINC000634581949 342797696 /nfs/dbraw/zinc/79/76/96/342797696.db2.gz HVSVGHFEPPMNJS-GFCCVEGCSA-N -1 1 230.311 3.071 20 0 BGADMM CCc1c(=O)n(-c2ccccc2)[n-]c1C(C)C ZINC000634581950 342797688 /nfs/dbraw/zinc/79/76/88/342797688.db2.gz HVSVGHFEPPMNJS-LBPRGKRZSA-N -1 1 230.311 3.071 20 0 BGADMM CCCc1[n-]n(-c2ccccc2)c(=O)c1CC ZINC000634582039 342797624 /nfs/dbraw/zinc/79/76/24/342797624.db2.gz JMGQVHUIRRSOJD-GFCCVEGCSA-N -1 1 230.311 3.216 20 0 BGADMM CCCc1[n-]n(-c2ccccc2)c(=O)c1CC ZINC000634582040 342797651 /nfs/dbraw/zinc/79/76/51/342797651.db2.gz JMGQVHUIRRSOJD-LBPRGKRZSA-N -1 1 230.311 3.216 20 0 BGADMM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C1CC1 ZINC000634582193 342797928 /nfs/dbraw/zinc/79/79/28/342797928.db2.gz NAXVGCMSAADRNP-GFCCVEGCSA-N -1 1 248.713 3.089 20 0 BGADMM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C1CC1 ZINC000634582194 342797857 /nfs/dbraw/zinc/79/78/57/342797857.db2.gz NAXVGCMSAADRNP-LBPRGKRZSA-N -1 1 248.713 3.089 20 0 BGADMM C[C@@H]1CCc2[n-]n(-c3ccc(Cl)cc3)c(=O)c21 ZINC000634582397 342798172 /nfs/dbraw/zinc/79/81/72/342798172.db2.gz SCNCQRXFECHVSM-PELKAZGASA-N -1 1 248.713 3.089 20 0 BGADMM C[C@@H]1CCc2[n-]n(-c3ccc(Cl)cc3)c(=O)c21 ZINC000634582398 342798374 /nfs/dbraw/zinc/79/83/74/342798374.db2.gz SCNCQRXFECHVSM-PRHODGIISA-N -1 1 248.713 3.089 20 0 BGADMM C[C@H]1CCc2[n-]n(-c3ccc(Cl)cc3)c(=O)c21 ZINC000634582399 342798177 /nfs/dbraw/zinc/79/81/77/342798177.db2.gz SCNCQRXFECHVSM-QPUJVOFHSA-N -1 1 248.713 3.089 20 0 BGADMM C[C@H]1CCc2[n-]n(-c3ccc(Cl)cc3)c(=O)c21 ZINC000634582400 342798254 /nfs/dbraw/zinc/79/82/54/342798254.db2.gz SCNCQRXFECHVSM-UFBFGSQYSA-N -1 1 248.713 3.089 20 0 BGADMM C[C@@H]1CCc2[n-]n(-c3cccc(Cl)c3)c(=O)c21 ZINC000634582775 342799805 /nfs/dbraw/zinc/79/98/05/342799805.db2.gz ANGJKIJUGVUCAF-PELKAZGASA-N -1 1 248.713 3.089 20 0 BGADMM C[C@@H]1CCc2[n-]n(-c3cccc(Cl)c3)c(=O)c21 ZINC000634582776 342799738 /nfs/dbraw/zinc/79/97/38/342799738.db2.gz ANGJKIJUGVUCAF-PRHODGIISA-N -1 1 248.713 3.089 20 0 BGADMM C[C@H]1CCc2[n-]n(-c3cccc(Cl)c3)c(=O)c21 ZINC000634582777 342799874 /nfs/dbraw/zinc/79/98/74/342799874.db2.gz ANGJKIJUGVUCAF-QPUJVOFHSA-N -1 1 248.713 3.089 20 0 BGADMM C[C@H]1CCc2[n-]n(-c3cccc(Cl)c3)c(=O)c21 ZINC000634582778 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/nfs/dbraw/zinc/99/62/34/583996234.db2.gz INBDPCNRILZCKN-IUCAKERBSA-N -1 1 237.265 3.024 20 0 BGADMM CCCC[C@@H]1CCC[C@H]1[N-]C(=O)C(F)(F)F ZINC000729373595 583996294 /nfs/dbraw/zinc/99/62/94/583996294.db2.gz INBDPCNRILZCKN-RKDXNWHRSA-N -1 1 237.265 3.024 20 0 BGADMM CCCOC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000730360970 584907019 /nfs/dbraw/zinc/90/70/19/584907019.db2.gz VLSHUIWHHRTRPR-UHFFFAOYSA-N -1 1 249.093 3.266 20 0 BGADMM Cc1cccc([C@@H](C)[N-]C(=O)C(F)(F)F)c1C ZINC000734469657 584963112 /nfs/dbraw/zinc/96/31/12/584963112.db2.gz ORGVLQMWTKKDJP-SECBINFHSA-N -1 1 245.244 3.043 20 0 BGADMM Cc1cccc([C@H](C)[N-]C(=O)C(F)(F)F)c1C ZINC000734469659 584963047 /nfs/dbraw/zinc/96/30/47/584963047.db2.gz ORGVLQMWTKKDJP-VIFPVBQESA-N -1 1 245.244 3.043 20 0 BGADMM CCCCCCC(=O)Nc1c([O-])cccc1F ZINC000743415495 585136474 /nfs/dbraw/zinc/13/64/74/585136474.db2.gz CTIZTMFNAQRMIA-UHFFFAOYSA-N -1 1 239.290 3.440 20 0 BGADMM CCC[C@@H](C)OC(=O)c1c([O-])cc(F)cc1F ZINC000748118327 585187417 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/nfs/dbraw/zinc/32/28/27/585322827.db2.gz JMIXOXCAYMRUMN-URLRMUCDSA-N -1 1 249.285 3.216 20 0 BGADMM C[C@H]1CC/C(=C\C(=O)Nc2c([O-])cccc2F)C1 ZINC000756764576 585322980 /nfs/dbraw/zinc/32/29/80/585322980.db2.gz JMIXOXCAYMRUMN-WKMLFNHBSA-N -1 1 249.285 3.216 20 0 BGADMM CC(C(=O)Nc1c([O-])cccc1F)=C1CCCC1 ZINC000756764630 585322770 /nfs/dbraw/zinc/32/27/70/585322770.db2.gz JTLNVQJGGYHCAH-UHFFFAOYSA-N -1 1 249.285 3.360 20 0 BGADMM CCCC[C@@H]([N-]C(=O)C(F)(F)F)C1CCC1 ZINC000757042223 585327087 /nfs/dbraw/zinc/32/70/87/585327087.db2.gz RGRPBZGCIAGHEU-SECBINFHSA-N -1 1 237.265 3.024 20 0 BGADMM CCCC[C@H]([N-]C(=O)C(F)(F)F)C1CCC1 ZINC000757042225 585327136 /nfs/dbraw/zinc/32/71/36/585327136.db2.gz RGRPBZGCIAGHEU-VIFPVBQESA-N -1 1 237.265 3.024 20 0 BGADMM CC(C)CCCOC(=O)c1ccc([O-])cc1F ZINC000758526003 585356732 /nfs/dbraw/zinc/35/67/32/585356732.db2.gz FAJHNXGOPZATBF-UHFFFAOYSA-N -1 1 240.274 3.124 20 0 BGADMM CC(C)(C)/C=C\C(=O)Nc1c([O-])cccc1F ZINC000760196662 585386469 /nfs/dbraw/zinc/38/64/69/585386469.db2.gz JHOUGCNDCMSDCH-FPLPWBNLSA-N -1 1 237.274 3.072 20 0 BGADMM CCC(=CC(=O)Nc1c([O-])cccc1F)CC ZINC000761729140 585418324 /nfs/dbraw/zinc/41/83/24/585418324.db2.gz XJVUMWDMXULECP-UHFFFAOYSA-N -1 1 237.274 3.216 20 0 BGADMM O=C(C=C1CCCCC1)Nc1c([O-])cccc1F ZINC000762805588 585437609 /nfs/dbraw/zinc/43/76/09/585437609.db2.gz MGZWWJFCDJZZQQ-UHFFFAOYSA-N -1 1 249.285 3.360 20 0 BGADMM CC/C=C\CCOC(=O)c1ccc([O-])cc1F ZINC000767587024 585522902 /nfs/dbraw/zinc/52/29/02/585522902.db2.gz OLZNKPSXLRZEKO-ARJAWSKDSA-N -1 1 238.258 3.044 20 0 BGADMM CC/C=C/CCOC(=O)c1ccc([O-])cc1F ZINC000767587026 585522749 /nfs/dbraw/zinc/52/27/49/585522749.db2.gz OLZNKPSXLRZEKO-ONEGZZNKSA-N -1 1 238.258 3.044 20 0 BGADMM CCCCCCC(=O)Nc1ccc(F)cc1[O-] ZINC000768257661 585535018 /nfs/dbraw/zinc/53/50/18/585535018.db2.gz IJBFFVQGXWBJGG-UHFFFAOYSA-N -1 1 239.290 3.440 20 0 BGADMM CCC/C(C)=C\C(=O)Nc1ccc(F)cc1[O-] ZINC000768259097 585534899 /nfs/dbraw/zinc/53/48/99/585534899.db2.gz PXNJNQBVEZDEGP-CLFYSBASSA-N -1 1 237.274 3.216 20 0 BGADMM CCC/C(C)=C/C(=O)Nc1ccc(F)cc1[O-] ZINC000768259099 585534980 /nfs/dbraw/zinc/53/49/80/585534980.db2.gz PXNJNQBVEZDEGP-VQHVLOKHSA-N -1 1 237.274 3.216 20 0 BGADMM C[C@H]1CC/C(=C/C(=O)Nc2ccc(F)cc2[O-])C1 ZINC000768260591 585534815 /nfs/dbraw/zinc/53/48/15/585534815.db2.gz ZCZIUYCGWWRBNG-CBFJXKFUSA-N -1 1 249.285 3.216 20 0 BGADMM C[C@H]1CC/C(=C\C(=O)Nc2ccc(F)cc2[O-])C1 ZINC000768260592 585534753 /nfs/dbraw/zinc/53/47/53/585534753.db2.gz ZCZIUYCGWWRBNG-HZAKCSEPSA-N -1 1 249.285 3.216 20 0 BGADMM C[C@@H]1CC/C(=C/C(=O)Nc2ccc(F)cc2[O-])C1 ZINC000768260593 585534616 /nfs/dbraw/zinc/53/46/16/585534616.db2.gz ZCZIUYCGWWRBNG-SBMLRHLQSA-N -1 1 249.285 3.216 20 0 BGADMM C[C@@H]1CC/C(=C\C(=O)Nc2ccc(F)cc2[O-])C1 ZINC000768260594 585535033 /nfs/dbraw/zinc/53/50/33/585535033.db2.gz ZCZIUYCGWWRBNG-YIXGCBLDSA-N -1 1 249.285 3.216 20 0 BGADMM C/C=C(/C=C\C(=O)Nc1c([O-])cccc1F)CC ZINC000770864567 585583213 /nfs/dbraw/zinc/58/32/13/585583213.db2.gz YQUMMNHZXRLWSZ-ODVCJYRKSA-N -1 1 249.285 3.382 20 0 BGADMM C/C=C(/C=C/C(=O)Nc1c([O-])cccc1F)CC ZINC000770864568 585583264 /nfs/dbraw/zinc/58/32/64/585583264.db2.gz YQUMMNHZXRLWSZ-UTDLVPNFSA-N -1 1 249.285 3.382 20 0 BGADMM O=C([N-]Oc1ccccc1)C1CCCCCCC1 ZINC000773464444 712414834 /nfs/dbraw/zinc/41/48/34/712414834.db2.gz HHJPTEVASXTWHJ-UHFFFAOYSA-N -1 1 247.338 3.457 20 0 BGADMM CCCC[C@@H](CC)C(=O)[N-]Oc1ccccc1 ZINC000773465834 644692915 /nfs/dbraw/zinc/69/29/15/644692915.db2.gz MHZFNINVFYMITK-GFCCVEGCSA-N -1 1 235.327 3.313 20 0 BGADMM CCCC[C@H](CC)C(=O)[N-]Oc1ccccc1 ZINC000773465837 585022483 /nfs/dbraw/zinc/02/24/83/585022483.db2.gz MHZFNINVFYMITK-LBPRGKRZSA-N -1 1 235.327 3.313 20 0 BGADMM C[C@H](CC1CCCC1)C(=O)[N-]Oc1ccccc1 ZINC000773472852 585637651 /nfs/dbraw/zinc/63/76/51/585637651.db2.gz LZOGNQIWPFYYME-GFCCVEGCSA-N -1 1 247.338 3.313 20 0 BGADMM C[C@@H](CC1CCCC1)C(=O)[N-]Oc1ccccc1 ZINC000773472853 585637833 /nfs/dbraw/zinc/63/78/33/585637833.db2.gz LZOGNQIWPFYYME-LBPRGKRZSA-N -1 1 247.338 3.313 20 0 BGADMM CCCCCCOC(=O)c1ccc([O-])cc1F ZINC000773568282 585640848 /nfs/dbraw/zinc/64/08/48/585640848.db2.gz FVWLZVSWAGXKID-UHFFFAOYSA-N -1 1 240.274 3.268 20 0 BGADMM CC(C)(C)CCOC(=O)c1ccc([O-])cc1F ZINC000773582199 585640796 /nfs/dbraw/zinc/64/07/96/585640796.db2.gz NGPWPXJQZSSPIX-UHFFFAOYSA-N -1 1 240.274 3.124 20 0 BGADMM O=C([N-]Oc1ccccc1)C1CCCCCC1 ZINC000774275133 585655715 /nfs/dbraw/zinc/65/57/15/585655715.db2.gz JZIGGZFTWAZBED-UHFFFAOYSA-N -1 1 233.311 3.067 20 0 BGADMM Cc1cccc([C@@H](C)C(=O)[N-]OC2CCCC2)c1 ZINC000774864375 644698511 /nfs/dbraw/zinc/69/85/11/644698511.db2.gz DXBIBNACGKUKLS-GFCCVEGCSA-N -1 1 247.338 3.089 20 0 BGADMM Cc1cccc([C@H](C)C(=O)[N-]OC2CCCC2)c1 ZINC000774864376 644698370 /nfs/dbraw/zinc/69/83/70/644698370.db2.gz DXBIBNACGKUKLS-LBPRGKRZSA-N -1 1 247.338 3.089 20 0 BGADMM C[C@H](C(=O)[N-]OC1CCCCC1)c1ccccc1 ZINC000777950001 585724271 /nfs/dbraw/zinc/72/42/71/585724271.db2.gz QDMUASXIEHJSMH-LBPRGKRZSA-N -1 1 247.338 3.171 20 0 BGADMM C[C@@H](C(=O)[N-]OC1CCCCC1)c1ccccc1 ZINC000777960105 585724654 /nfs/dbraw/zinc/72/46/54/585724654.db2.gz QDMUASXIEHJSMH-GFCCVEGCSA-N -1 1 247.338 3.171 20 0 BGADMM CC(C)=C(C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000780991193 585788292 /nfs/dbraw/zinc/78/82/92/585788292.db2.gz DCZYJRDNRCLRQZ-UHFFFAOYSA-N -1 1 239.702 3.340 20 0 BGADMM CCC/C=C\C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000780991717 585788121 /nfs/dbraw/zinc/78/81/21/585788121.db2.gz KRSWAVJBBKRENO-PLNGDYQASA-N -1 1 239.702 3.340 20 0 BGADMM CCC/C=C/C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000780991718 585788262 /nfs/dbraw/zinc/78/82/62/585788262.db2.gz KRSWAVJBBKRENO-SNAWJCMRSA-N -1 1 239.702 3.340 20 0 BGADMM CC/C(C)=C(\C)C(=O)Nc1c([O-])cccc1F ZINC000780994188 585788197 /nfs/dbraw/zinc/78/81/97/585788197.db2.gz QQTGTYJIERKFQG-CMDGGOBGSA-N -1 1 237.274 3.216 20 0 BGADMM CC/C(C)=C(/C)C(=O)Nc1c([O-])cccc1F ZINC000780994190 585788225 /nfs/dbraw/zinc/78/82/25/585788225.db2.gz QQTGTYJIERKFQG-HJWRWDBZSA-N -1 1 237.274 3.216 20 0 BGADMM CC[C@H](C)CO[N-]C(=O)[C@@H](C)c1cccc(C)c1 ZINC000794842878 586050397 /nfs/dbraw/zinc/05/03/97/586050397.db2.gz NQXBTDXFAPMERR-AAEUAGOBSA-N -1 1 249.354 3.192 20 0 BGADMM CC[C@@H](C)CO[N-]C(=O)[C@H](C)c1cccc(C)c1 ZINC000794842882 586050525 /nfs/dbraw/zinc/05/05/25/586050525.db2.gz NQXBTDXFAPMERR-DGCLKSJQSA-N -1 1 249.354 3.192 20 0 BGADMM CC[C@H](C)CO[N-]C(=O)[C@H](C)c1cccc(C)c1 ZINC000794842883 586050444 /nfs/dbraw/zinc/05/04/44/586050444.db2.gz NQXBTDXFAPMERR-WCQYABFASA-N -1 1 249.354 3.192 20 0 BGADMM CC[C@@H](C)CO[N-]C(=O)[C@@H](C)c1cccc(C)c1 ZINC000794842885 586050392 /nfs/dbraw/zinc/05/03/92/586050392.db2.gz NQXBTDXFAPMERR-YPMHNXCESA-N -1 1 249.354 3.192 20 0 BGADMM CCO[N-]C(=O)[C@H](C)c1cccc(CC(C)C)c1 ZINC000794964111 586058389 /nfs/dbraw/zinc/05/83/89/586058389.db2.gz FEJLXCVQQPMKJX-GFCCVEGCSA-N -1 1 249.354 3.056 20 0 BGADMM CCO[N-]C(=O)[C@@H](C)c1cccc(CC(C)C)c1 ZINC000794964113 586058491 /nfs/dbraw/zinc/05/84/91/586058491.db2.gz FEJLXCVQQPMKJX-LBPRGKRZSA-N -1 1 249.354 3.056 20 0 BGADMM CC[C@H]1CC[C@H](C(=O)[N-]Oc2ccccc2)CC1 ZINC000816684143 586755786 /nfs/dbraw/zinc/75/57/86/586755786.db2.gz OODHMWDCTVOXIA-JOCQHMNTSA-N -1 1 247.338 3.313 20 0 BGADMM CC1(C)CCC(C(=O)[N-]Oc2ccccc2)CC1 ZINC000816684326 586756038 /nfs/dbraw/zinc/75/60/38/586756038.db2.gz WILHFKPGQDOBTQ-UHFFFAOYSA-N -1 1 247.338 3.313 20 0 BGADMM CCCC(CCC)C(=O)[N-]Oc1ccccc1 ZINC000816684834 586756028 /nfs/dbraw/zinc/75/60/28/586756028.db2.gz RUXXDOOKHCYZOG-UHFFFAOYSA-N -1 1 235.327 3.313 20 0 BGADMM CC[C@@H](C(=O)[N-]OC[C@@H](C)CC)c1ccccc1 ZINC000816977920 586776851 /nfs/dbraw/zinc/77/68/51/586776851.db2.gz JXDCVMRVAANJPU-GXTWGEPZSA-N -1 1 249.354 3.274 20 0 BGADMM CC[C@H](C)CO[N-]C(=O)[C@@H](CC)c1ccccc1 ZINC000816977921 586776743 /nfs/dbraw/zinc/77/67/43/586776743.db2.gz JXDCVMRVAANJPU-JSGCOSHPSA-N -1 1 249.354 3.274 20 0 BGADMM CC[C@@H](C)CO[N-]C(=O)[C@@H](CC)c1ccccc1 ZINC000816977922 586776841 /nfs/dbraw/zinc/77/68/41/586776841.db2.gz JXDCVMRVAANJPU-OCCSQVGLSA-N -1 1 249.354 3.274 20 0 BGADMM CC[C@@H](C)CO[N-]C(=O)[C@H](CC)c1ccccc1 ZINC000816977923 586776762 /nfs/dbraw/zinc/77/67/62/586776762.db2.gz JXDCVMRVAANJPU-TZMCWYRMSA-N -1 1 249.354 3.274 20 0 BGADMM CC[C@H](C(=O)[N-]OCCC1CC1)c1ccccc1 ZINC000817407772 586801046 /nfs/dbraw/zinc/80/10/46/586801046.db2.gz BGWHLMCPLKGTJZ-AWEZNQCLSA-N -1 1 247.338 3.028 20 0 BGADMM CC[C@@H](C(=O)[N-]OCCC1CC1)c1ccccc1 ZINC000817407773 586800809 /nfs/dbraw/zinc/80/08/09/586800809.db2.gz BGWHLMCPLKGTJZ-CQSZACIVSA-N -1 1 247.338 3.028 20 0 BGADMM CC1(C)CCC[C@@H](C(=O)[N-]Oc2ccccc2)C1 ZINC000820044095 587015134 /nfs/dbraw/zinc/01/51/34/587015134.db2.gz WOSCTGNMXUYRGZ-GFCCVEGCSA-N -1 1 247.338 3.313 20 0 BGADMM CC1(C)CCC[C@H](C(=O)[N-]Oc2ccccc2)C1 ZINC000820044096 587015479 /nfs/dbraw/zinc/01/54/79/587015479.db2.gz WOSCTGNMXUYRGZ-LBPRGKRZSA-N -1 1 247.338 3.313 20 0 BGADMM CC1(C)CCCC[C@@H]1C(=O)[N-]Oc1ccccc1 ZINC000820048977 587015020 /nfs/dbraw/zinc/01/50/20/587015020.db2.gz NBQYVVYZVAHYKC-CYBMUJFWSA-N -1 1 247.338 3.313 20 0 BGADMM CC1(C)CCCC[C@H]1C(=O)[N-]Oc1ccccc1 ZINC000820048978 587014917 /nfs/dbraw/zinc/01/49/17/587014917.db2.gz NBQYVVYZVAHYKC-ZDUSSCGKSA-N -1 1 247.338 3.313 20 0 BGADMM C/C(=C/c1cc(F)c([O-])c(F)c1)c1ncccn1 ZINC000821017858 587089108 /nfs/dbraw/zinc/08/91/08/587089108.db2.gz QJCKTGWNNUZBQF-YVMONPNESA-N -1 1 248.232 3.021 20 0 BGADMM C/C(=C/c1ccc([O-])c(Cl)c1)c1ncccn1 ZINC000821018251 587089169 /nfs/dbraw/zinc/08/91/69/587089169.db2.gz ZAJHKUBCFRRPEK-CLFYSBASSA-N -1 1 246.697 3.396 20 0 BGADMM CCC[C@@H](CC)C(=O)Nc1c([O-])cccc1F ZINC000821344667 587109997 /nfs/dbraw/zinc/10/99/97/587109997.db2.gz YXJXMPUMFLTHEB-SECBINFHSA-N -1 1 239.290 3.296 20 0 BGADMM CCC[C@H](CC)C(=O)Nc1c([O-])cccc1F ZINC000821344669 587110119 /nfs/dbraw/zinc/11/01/19/587110119.db2.gz YXJXMPUMFLTHEB-VIFPVBQESA-N -1 1 239.290 3.296 20 0 BGADMM CCC[C@@H](CC)C(=O)Nc1cccc(F)c1[O-] ZINC000824989884 587297524 /nfs/dbraw/zinc/29/75/24/587297524.db2.gz JTLGWKULALNDHO-SECBINFHSA-N -1 1 239.290 3.296 20 0 BGADMM CCC[C@H](CC)C(=O)Nc1cccc(F)c1[O-] ZINC000824989885 587297618 /nfs/dbraw/zinc/29/76/18/587297618.db2.gz JTLGWKULALNDHO-VIFPVBQESA-N -1 1 239.290 3.296 20 0 BGADMM CC1(CCC(=O)Nc2cccc(F)c2[O-])CC1 ZINC000827447462 587381751 /nfs/dbraw/zinc/38/17/51/587381751.db2.gz DQDYQOSSODXTQU-UHFFFAOYSA-N -1 1 237.274 3.050 20 0 BGADMM O=C(C[C@H]1CC=CCC1)Nc1cccc(F)c1[O-] ZINC000827447619 587381496 /nfs/dbraw/zinc/38/14/96/587381496.db2.gz IUVRBNGSWKJMHN-JTQLQIEISA-N -1 1 249.285 3.216 20 0 BGADMM O=C(C[C@@H]1CC=CCC1)Nc1cccc(F)c1[O-] ZINC000827447620 587381628 /nfs/dbraw/zinc/38/16/28/587381628.db2.gz IUVRBNGSWKJMHN-SNVBAGLBSA-N -1 1 249.285 3.216 20 0 BGADMM CCC(F)(F)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000831250265 587593571 /nfs/dbraw/zinc/59/35/71/587593571.db2.gz VPGLPLFQWACTCY-UHFFFAOYSA-N -1 1 249.644 3.029 20 0 BGADMM CCC[C@@H]([N-]C(=O)C(F)(F)F)C1CCCC1 ZINC000838330920 585053832 /nfs/dbraw/zinc/05/38/32/585053832.db2.gz JUDUWCKAXPMMNM-SECBINFHSA-N -1 1 237.265 3.024 20 0 BGADMM CCC[C@H]([N-]C(=O)C(F)(F)F)C1CCCC1 ZINC000838330922 585053981 /nfs/dbraw/zinc/05/39/81/585053981.db2.gz JUDUWCKAXPMMNM-VIFPVBQESA-N -1 1 237.265 3.024 20 0 BGADMM O=C(/C=C/C1CCCC1)Nc1c([O-])cccc1F ZINC000843844143 588144265 /nfs/dbraw/zinc/14/42/65/588144265.db2.gz XREZZXSEZCOFDO-CMDGGOBGSA-N -1 1 249.285 3.216 20 0 BGADMM O=C(/C=C\C1CCCC1)Nc1c([O-])cccc1F ZINC000843844146 588144291 /nfs/dbraw/zinc/14/42/91/588144291.db2.gz XREZZXSEZCOFDO-HJWRWDBZSA-N -1 1 249.285 3.216 20 0 BGADMM CCCO[N-]C(=O)[C@H](CCC)c1ccccc1 ZINC000844080804 588161619 /nfs/dbraw/zinc/16/16/19/588161619.db2.gz ZIEMFGVEQLCIRV-CYBMUJFWSA-N -1 1 235.327 3.028 20 0 BGADMM CCCO[N-]C(=O)[C@@H](CCC)c1ccccc1 ZINC000844080805 588161595 /nfs/dbraw/zinc/16/15/95/588161595.db2.gz ZIEMFGVEQLCIRV-ZDUSSCGKSA-N -1 1 235.327 3.028 20 0 BGADMM CCCO[N-]C(=O)[C@@H](CC(C)C)c1ccccc1 ZINC000844086501 588164247 /nfs/dbraw/zinc/16/42/47/588164247.db2.gz LVZCRDPDMRKADV-AWEZNQCLSA-N -1 1 249.354 3.274 20 0 BGADMM CCCO[N-]C(=O)[C@H](CC(C)C)c1ccccc1 ZINC000844086505 588164165 /nfs/dbraw/zinc/16/41/65/588164165.db2.gz LVZCRDPDMRKADV-CQSZACIVSA-N -1 1 249.354 3.274 20 0 BGADMM CCCCCCSc1ncc(C)c(=O)[n-]1 ZINC000849901687 588509099 /nfs/dbraw/zinc/50/90/99/588509099.db2.gz HHBMIJRIINVEOT-UHFFFAOYSA-N -1 1 226.345 3.163 20 0 BGADMM CCC(CC)[C@@H](C)C(=O)[N-]Oc1ccccc1 ZINC000854536185 583088174 /nfs/dbraw/zinc/08/81/74/583088174.db2.gz DQMRZRIUYUVTCO-LLVKDONJSA-N -1 1 235.327 3.169 20 0 BGADMM CCC(CC)[C@H](C)C(=O)[N-]Oc1ccccc1 ZINC000854536187 583087843 /nfs/dbraw/zinc/08/78/43/583087843.db2.gz DQMRZRIUYUVTCO-NSHDSACASA-N -1 1 235.327 3.169 20 0 BGADMM C[C@H](CC(C)(C)C)C(=O)[N-]Oc1ccccc1 ZINC000854536236 583087877 /nfs/dbraw/zinc/08/78/77/583087877.db2.gz FMGHUPRTRCXBPD-LLVKDONJSA-N -1 1 235.327 3.169 20 0 BGADMM C[C@@H](CC(C)(C)C)C(=O)[N-]Oc1ccccc1 ZINC000854536237 583088202 /nfs/dbraw/zinc/08/82/02/583088202.db2.gz FMGHUPRTRCXBPD-NSHDSACASA-N -1 1 235.327 3.169 20 0 BGADMM O=C([N-]Oc1ccccc1)C1CCC2(CC2)CC1 ZINC000854536337 588791387 /nfs/dbraw/zinc/79/13/87/588791387.db2.gz QARLWJOHDNNMQJ-UHFFFAOYSA-N -1 1 245.322 3.067 20 0 BGADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)[N-]Oc1ccccc1 ZINC000854536375 588791372 /nfs/dbraw/zinc/79/13/72/588791372.db2.gz QWBLXUOVKPGBLQ-WCQYABFASA-N -1 1 247.338 3.169 20 0 BGADMM CC1=C(C)C[C@H](C(=O)[N-]Oc2ccccc2)CC1 ZINC000854536397 588791436 /nfs/dbraw/zinc/79/14/36/588791436.db2.gz RIVHKGCOXPIVOG-CYBMUJFWSA-N -1 1 245.322 3.233 20 0 BGADMM CC1=C(C)C[C@@H](C(=O)[N-]Oc2ccccc2)CC1 ZINC000854536398 588791374 /nfs/dbraw/zinc/79/13/74/588791374.db2.gz RIVHKGCOXPIVOG-ZDUSSCGKSA-N -1 1 245.322 3.233 20 0 BGADMM CC[C@H]1CCCC[C@H]1C(=O)[N-]Oc1ccccc1 ZINC000854536547 588791198 /nfs/dbraw/zinc/79/11/98/588791198.db2.gz KXODXFSGQGVBFI-GXTWGEPZSA-N -1 1 247.338 3.313 20 0 BGADMM CC[C@H]1CCCC[C@@H]1C(=O)[N-]Oc1ccccc1 ZINC000854536549 588791196 /nfs/dbraw/zinc/79/11/96/588791196.db2.gz KXODXFSGQGVBFI-JSGCOSHPSA-N -1 1 247.338 3.313 20 0 BGADMM C[C@@H]1CC[C@H](C(=O)[N-]Oc2ccccc2)C[C@@H]1C ZINC000854536601 588791349 /nfs/dbraw/zinc/79/13/49/588791349.db2.gz ROHNKAJAZHMIHP-AGIUHOORSA-N -1 1 247.338 3.169 20 0 BGADMM C[C@@H]1CC[C@@H](C(=O)[N-]Oc2ccccc2)C[C@@H]1C ZINC000854536602 588791271 /nfs/dbraw/zinc/79/12/71/588791271.db2.gz ROHNKAJAZHMIHP-FRRDWIJNSA-N -1 1 247.338 3.169 20 0 BGADMM C[C@@H]1CC[C@@H](C(=O)[N-]Oc2ccccc2)C[C@H]1C ZINC000854536603 588791496 /nfs/dbraw/zinc/79/14/96/588791496.db2.gz ROHNKAJAZHMIHP-JHJVBQTASA-N -1 1 247.338 3.169 20 0 BGADMM C[C@@H]1CC[C@H](C(=O)[N-]Oc2ccccc2)C[C@H]1C ZINC000854536604 588791362 /nfs/dbraw/zinc/79/13/62/588791362.db2.gz ROHNKAJAZHMIHP-UPJWGTAASA-N -1 1 247.338 3.169 20 0 BGADMM CCC[C@H]1CCC[C@H]1C(=O)[N-]Oc1ccccc1 ZINC000854536637 588791290 /nfs/dbraw/zinc/79/12/90/588791290.db2.gz STMOMEXBJDXGPX-GXTWGEPZSA-N -1 1 247.338 3.313 20 0 BGADMM CCC[C@H]1CCC[C@@H]1C(=O)[N-]Oc1ccccc1 ZINC000854536638 588791488 /nfs/dbraw/zinc/79/14/88/588791488.db2.gz STMOMEXBJDXGPX-JSGCOSHPSA-N -1 1 247.338 3.313 20 0 BGADMM CCC[C@@H]1CCC[C@@H]1C(=O)[N-]Oc1ccccc1 ZINC000854536639 588791447 /nfs/dbraw/zinc/79/14/47/588791447.db2.gz STMOMEXBJDXGPX-OCCSQVGLSA-N -1 1 247.338 3.313 20 0 BGADMM CCC[C@@H]1CCC[C@H]1C(=O)[N-]Oc1ccccc1 ZINC000854536640 588791214 /nfs/dbraw/zinc/79/12/14/588791214.db2.gz STMOMEXBJDXGPX-TZMCWYRMSA-N -1 1 247.338 3.313 20 0 BGADMM O=C([N-]Oc1ccccc1)[C@@H]1CCCC2(CC2)C1 ZINC000854536935 588791775 /nfs/dbraw/zinc/79/17/75/588791775.db2.gz ZGCYEHBBXBNBJH-GFCCVEGCSA-N -1 1 245.322 3.067 20 0 BGADMM O=C([N-]Oc1ccccc1)[C@H]1CCCC2(CC2)C1 ZINC000854536936 588791759 /nfs/dbraw/zinc/79/17/59/588791759.db2.gz ZGCYEHBBXBNBJH-LBPRGKRZSA-N -1 1 245.322 3.067 20 0 BGADMM CC(C)(C)C1CC(C(=O)[N-]Oc2ccccc2)C1 ZINC000854536937 588791747 /nfs/dbraw/zinc/79/17/47/588791747.db2.gz ZHVWMIYBIINJGX-UHFFFAOYSA-N -1 1 247.338 3.169 20 0 BGADMM CC[C@@H]1CCCC[C@@H]1C(=O)[N-]Oc1ccccc1 ZINC000854536954 588791462 /nfs/dbraw/zinc/79/14/62/588791462.db2.gz KXODXFSGQGVBFI-OCCSQVGLSA-N -1 1 247.338 3.313 20 0 BGADMM CC[C@@H]1CCCC[C@H]1C(=O)[N-]Oc1ccccc1 ZINC000854536955 588791246 /nfs/dbraw/zinc/79/12/46/588791246.db2.gz KXODXFSGQGVBFI-TZMCWYRMSA-N -1 1 247.338 3.313 20 0 BGADMM C[C@H]1C[C@H](C(=O)[N-]Oc2ccccc2)C[C@@H](C)C1 ZINC000854537003 588791513 /nfs/dbraw/zinc/79/15/13/588791513.db2.gz MPTQKYHLDBRKDX-ITGUQSILSA-N -1 1 247.338 3.169 20 0 BGADMM C[C@@H]1CC(C(=O)[N-]Oc2ccccc2)C[C@@H](C)C1 ZINC000854537004 588791783 /nfs/dbraw/zinc/79/17/83/588791783.db2.gz MPTQKYHLDBRKDX-RYUDHWBXSA-N -1 1 247.338 3.169 20 0 BGADMM C[C@H]1CC(C(=O)[N-]Oc2ccccc2)C[C@H](C)C1 ZINC000854537005 588791613 /nfs/dbraw/zinc/79/16/13/588791613.db2.gz MPTQKYHLDBRKDX-VXGBXAGGSA-N -1 1 247.338 3.169 20 0 BGADMM CC[C@H](CC(C)C)C(=O)[N-]Oc1ccccc1 ZINC000854537044 588791476 /nfs/dbraw/zinc/79/14/76/588791476.db2.gz KTPUVHDATGHEKD-GFCCVEGCSA-N -1 1 235.327 3.169 20 0 BGADMM CC[C@@H](CC(C)C)C(=O)[N-]Oc1ccccc1 ZINC000854537045 588791341 /nfs/dbraw/zinc/79/13/41/588791341.db2.gz KTPUVHDATGHEKD-LBPRGKRZSA-N -1 1 235.327 3.169 20 0 BGADMM CC[C@H](C(=O)[N-]OCC1CCC1)c1ccccc1 ZINC000856345548 588868560 /nfs/dbraw/zinc/86/85/60/588868560.db2.gz FTGXTMYAEPGFRZ-AWEZNQCLSA-N -1 1 247.338 3.028 20 0 BGADMM CC[C@@H](C(=O)[N-]OCC1CCC1)c1ccccc1 ZINC000856345549 588868660 /nfs/dbraw/zinc/86/86/60/588868660.db2.gz FTGXTMYAEPGFRZ-CQSZACIVSA-N -1 1 247.338 3.028 20 0 BGADMM CCCCC[C@@H](C)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858362453 588948987 /nfs/dbraw/zinc/94/89/87/588948987.db2.gz FOYKHVAFQQUDIL-MRVPVSSYSA-N -1 1 243.738 3.216 20 0 BGADMM CCCCC[C@H](C)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858362454 588948681 /nfs/dbraw/zinc/94/86/81/588948681.db2.gz FOYKHVAFQQUDIL-QMMMGPOBSA-N -1 1 243.738 3.216 20 0 BGADMM CC(C)CC[C@@H](C)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858363119 588948685 /nfs/dbraw/zinc/94/86/85/588948685.db2.gz PKNXURHNWWWEGB-MRVPVSSYSA-N -1 1 243.738 3.072 20 0 BGADMM CC(C)CC[C@H](C)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858363120 588948758 /nfs/dbraw/zinc/94/87/58/588948758.db2.gz PKNXURHNWWWEGB-QMMMGPOBSA-N -1 1 243.738 3.072 20 0 BGADMM CC(C)(C)CCCNc1cc(Cl)[n-]c(=O)n1 ZINC000858420780 588952858 /nfs/dbraw/zinc/95/28/58/588952858.db2.gz SWCRERDQXGSEHD-UHFFFAOYSA-N -1 1 243.738 3.074 20 0 BGADMM CC[C@@H](C)C[C@@H](C)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858425430 588953925 /nfs/dbraw/zinc/95/39/25/588953925.db2.gz JPHCOUFZBSMFAM-HTQZYQBOSA-N -1 1 243.738 3.072 20 0 BGADMM CC[C@H](C)C[C@@H](C)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858425431 588953915 /nfs/dbraw/zinc/95/39/15/588953915.db2.gz JPHCOUFZBSMFAM-JGVFFNPUSA-N -1 1 243.738 3.072 20 0 BGADMM CC[C@@H](C)C[C@H](C)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858425432 588953963 /nfs/dbraw/zinc/95/39/63/588953963.db2.gz JPHCOUFZBSMFAM-SFYZADRCSA-N -1 1 243.738 3.072 20 0 BGADMM CC[C@H](C)C[C@H](C)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858425433 588953844 /nfs/dbraw/zinc/95/38/44/588953844.db2.gz JPHCOUFZBSMFAM-YUMQZZPRSA-N -1 1 243.738 3.072 20 0 BGADMM CC(C)(C)C(C)(C)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858554203 588965080 /nfs/dbraw/zinc/96/50/80/588965080.db2.gz CZEONZJODVBLGU-UHFFFAOYSA-N -1 1 243.738 3.072 20 0 BGADMM C[C@H](CC(C)(C)C)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858565969 588966595 /nfs/dbraw/zinc/96/65/95/588966595.db2.gz HMPKJTVVUUCTNM-SSDOTTSWSA-N -1 1 243.738 3.072 20 0 BGADMM C[C@@H](CC(C)(C)C)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858565970 588966566 /nfs/dbraw/zinc/96/65/66/588966566.db2.gz HMPKJTVVUUCTNM-ZETCQYMHSA-N -1 1 243.738 3.072 20 0 BGADMM CCC(C)(C)[C@@H](C)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858621739 588971463 /nfs/dbraw/zinc/97/14/63/588971463.db2.gz ADUJMXLKLTZQOP-SSDOTTSWSA-N -1 1 243.738 3.072 20 0 BGADMM CCC(C)(C)[C@H](C)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858621740 588971582 /nfs/dbraw/zinc/97/15/82/588971582.db2.gz ADUJMXLKLTZQOP-ZETCQYMHSA-N -1 1 243.738 3.072 20 0 BGADMM CC1(C)CCC(C)([N-]C(=O)C(F)(F)F)CC1 ZINC000859334957 645682960 /nfs/dbraw/zinc/68/29/60/645682960.db2.gz LQPKCHZZVRHLLX-UHFFFAOYSA-N -1 1 237.265 3.024 20 0 BGADMM O=C(/C=C/C1CCCC1)Nc1cccc(F)c1[O-] ZINC000863008348 589251719 /nfs/dbraw/zinc/25/17/19/589251719.db2.gz OCKALRNROJTTDA-CMDGGOBGSA-N -1 1 249.285 3.216 20 0 BGADMM O=C(/C=C\C1CCCC1)Nc1cccc(F)c1[O-] ZINC000863008349 589251721 /nfs/dbraw/zinc/25/17/21/589251721.db2.gz OCKALRNROJTTDA-HJWRWDBZSA-N -1 1 249.285 3.216 20 0 BGADMM CCC/C(C)=C/C(=O)Nc1cccc(F)c1[O-] ZINC000863009343 589251914 /nfs/dbraw/zinc/25/19/14/589251914.db2.gz DJAJURVBCGCGQH-CMDGGOBGSA-N -1 1 237.274 3.216 20 0 BGADMM CCC/C(C)=C\C(=O)Nc1cccc(F)c1[O-] ZINC000863009344 589251531 /nfs/dbraw/zinc/25/15/31/589251531.db2.gz DJAJURVBCGCGQH-HJWRWDBZSA-N -1 1 237.274 3.216 20 0 BGADMM O=C(C=C1CCCCC1)Nc1cccc(F)c1[O-] ZINC000863009788 589251708 /nfs/dbraw/zinc/25/17/08/589251708.db2.gz KKCPCIKHNMVWLA-UHFFFAOYSA-N -1 1 249.285 3.360 20 0 BGADMM C[C@H]1CC/C(=C/C(=O)Nc2cccc(F)c2[O-])C1 ZINC000863009797 589251770 /nfs/dbraw/zinc/25/17/70/589251770.db2.gz KTVILCXPSGEHKI-CUQRQBARSA-N -1 1 249.285 3.216 20 0 BGADMM C[C@@H]1CC/C(=C\C(=O)Nc2cccc(F)c2[O-])C1 ZINC000863009808 589251535 /nfs/dbraw/zinc/25/15/35/589251535.db2.gz KTVILCXPSGEHKI-NCXKZPMSSA-N -1 1 249.285 3.216 20 0 BGADMM C[C@@H]1CC/C(=C/C(=O)Nc2cccc(F)c2[O-])C1 ZINC000863009809 589251794 /nfs/dbraw/zinc/25/17/94/589251794.db2.gz KTVILCXPSGEHKI-URLRMUCDSA-N -1 1 249.285 3.216 20 0 BGADMM C[C@H]1CC/C(=C\C(=O)Nc2cccc(F)c2[O-])C1 ZINC000863009810 589251762 /nfs/dbraw/zinc/25/17/62/589251762.db2.gz KTVILCXPSGEHKI-WKMLFNHBSA-N -1 1 249.285 3.216 20 0 BGADMM CCCCCCC(=O)Nc1cccc(F)c1[O-] ZINC000863009843 589251919 /nfs/dbraw/zinc/25/19/19/589251919.db2.gz LLRUYXZFKDVXPI-UHFFFAOYSA-N -1 1 239.290 3.440 20 0 BGADMM CCC(=CC(=O)Nc1cccc(F)c1[O-])CC ZINC000863009981 589251713 /nfs/dbraw/zinc/25/17/13/589251713.db2.gz LXVLWOKHDYOAKX-UHFFFAOYSA-N -1 1 237.274 3.216 20 0 BGADMM CC(C(=O)Nc1cccc(F)c1[O-])=C1CCCC1 ZINC000863010020 589251837 /nfs/dbraw/zinc/25/18/37/589251837.db2.gz MWSWYBLDGCPRMM-UHFFFAOYSA-N -1 1 249.285 3.360 20 0 BGADMM CC(C)(C)/C=C/C(=O)Nc1cccc(F)c1[O-] ZINC000863010308 589251735 /nfs/dbraw/zinc/25/17/35/589251735.db2.gz RVJDWJMOYVLZEZ-BQYQJAHWSA-N -1 1 237.274 3.072 20 0 BGADMM CC(C)(C)/C=C\C(=O)Nc1cccc(F)c1[O-] ZINC000863010309 589251830 /nfs/dbraw/zinc/25/18/30/589251830.db2.gz RVJDWJMOYVLZEZ-FPLPWBNLSA-N -1 1 237.274 3.072 20 0 BGADMM CC/C(C)=C(\C)C(=O)Nc1cccc(F)c1[O-] ZINC000863010638 589252302 /nfs/dbraw/zinc/25/23/02/589252302.db2.gz WXDXKEVOBJSVIQ-CMDGGOBGSA-N -1 1 237.274 3.216 20 0 BGADMM CC/C(C)=C(/C)C(=O)Nc1cccc(F)c1[O-] ZINC000863010639 589252037 /nfs/dbraw/zinc/25/20/37/589252037.db2.gz WXDXKEVOBJSVIQ-HJWRWDBZSA-N -1 1 237.274 3.216 20 0 BGADMM C[C@@H]1CC[C@H](c2nnc([N-]c3ccccc3)o2)O1 ZINC000863981582 589332686 /nfs/dbraw/zinc/33/26/86/589332686.db2.gz IAJLHRJEVCMBOS-MWLCHTKSSA-N -1 1 245.282 3.053 20 0 BGADMM c1ccc([N-]c2nnc([C@H]3CCCCO3)o2)cc1 ZINC000863981778 589332904 /nfs/dbraw/zinc/33/29/04/589332904.db2.gz MALKEOVEZJCDAR-LLVKDONJSA-N -1 1 245.282 3.055 20 0 BGADMM c1ccc([N-]c2nnc([C@@H]3CCCCO3)o2)cc1 ZINC000863981779 589332830 /nfs/dbraw/zinc/33/28/30/589332830.db2.gz MALKEOVEZJCDAR-NSHDSACASA-N -1 1 245.282 3.055 20 0 BGADMM CCCCc1nc(=O)c2c(C)sc(C)c2[n-]1 ZINC000864356093 589355111 /nfs/dbraw/zinc/35/51/11/589355111.db2.gz QUWOYQAVXFUSCH-UHFFFAOYSA-N -1 1 236.340 3.356 20 0 BGADMM Cc1sc(C)c2c1[n-]c([C@@H]1C[C@H]1C)nc2=O ZINC000864356124 589355133 /nfs/dbraw/zinc/35/51/33/589355133.db2.gz QWLOINJKOQKPPO-SVGQVSJJSA-N -1 1 234.324 3.137 20 0 BGADMM Cc1sc(C)c2c1[n-]c([C@H]1C[C@@H]1C)nc2=O ZINC000864356142 589355187 /nfs/dbraw/zinc/35/51/87/589355187.db2.gz QWLOINJKOQKPPO-XNCJUZBTSA-N -1 1 234.324 3.137 20 0 BGADMM Cc1sc(C)c2c1[n-]c([C@H]1C[C@H]1C)nc2=O ZINC000864356144 589355221 /nfs/dbraw/zinc/35/52/21/589355221.db2.gz QWLOINJKOQKPPO-XRGYYRRGSA-N -1 1 234.324 3.137 20 0 BGADMM Cc1sc(C)c2c1[n-]c([C@@H]1C[C@@H]1C)nc2=O ZINC000864356146 589354967 /nfs/dbraw/zinc/35/49/67/589354967.db2.gz QWLOINJKOQKPPO-YLWLKBPMSA-N -1 1 234.324 3.137 20 0 BGADMM Cc1sc(C)c2c1[n-]c(CC1CCC1)nc2=O ZINC000864356908 589355312 /nfs/dbraw/zinc/35/53/12/589355312.db2.gz YOIFUPKRERFYJO-UHFFFAOYSA-N -1 1 248.351 3.356 20 0 BGADMM CCc1cc(=O)[n-]c(SCCCC2CC2)n1 ZINC000865363877 589426480 /nfs/dbraw/zinc/42/64/80/589426480.db2.gz WQZMDAGECCLSAS-UHFFFAOYSA-N -1 1 238.356 3.027 20 0 BGADMM Cc1cnc(SC[C@@H](C)C(C)(C)C)[n-]c1=O ZINC000865369147 589427421 /nfs/dbraw/zinc/42/74/21/589427421.db2.gz LCHOULSXQPNVMG-SECBINFHSA-N -1 1 240.372 3.265 20 0 BGADMM Cc1cnc(SC[C@H](C)C(C)(C)C)[n-]c1=O ZINC000865369148 589427102 /nfs/dbraw/zinc/42/71/02/589427102.db2.gz LCHOULSXQPNVMG-VIFPVBQESA-N -1 1 240.372 3.265 20 0 BGADMM CCC(C)(C)CCNc1cc(Cl)[n-]c(=O)n1 ZINC000866025471 589473050 /nfs/dbraw/zinc/47/30/50/589473050.db2.gz KASSHRFMSUGCLN-UHFFFAOYSA-N -1 1 243.738 3.074 20 0 BGADMM O=C(Nc1cccc(F)c1[O-])[C@@]12C[C@@H]1CCCC2 ZINC000869446095 589606673 /nfs/dbraw/zinc/60/66/73/589606673.db2.gz RZRKBOFKVORZSA-XPTSAGLGSA-N -1 1 249.285 3.050 20 0 BGADMM O=C(Nc1cccc(F)c1[O-])[C@]12C[C@H]1CCCC2 ZINC000869446096 589606577 /nfs/dbraw/zinc/60/65/77/589606577.db2.gz RZRKBOFKVORZSA-YMTOWFKASA-N -1 1 249.285 3.050 20 0 BGADMM Cc1cnc(SCSC(C)(C)C)[n-]c1=O ZINC000871672840 589787466 /nfs/dbraw/zinc/78/74/66/589787466.db2.gz AHMCVGDHOPGXPX-UHFFFAOYSA-N -1 1 244.385 3.072 20 0 BGADMM CC(C)CCc1cc(=O)n(-c2ccccc2)[n-]1 ZINC000871940907 589836228 /nfs/dbraw/zinc/83/62/28/589836228.db2.gz QMJAGPBPKUKXKN-UHFFFAOYSA-N -1 1 230.311 3.216 20 0 BGADMM CC(C)CCc1cc(=O)n(-c2ccc(F)cc2)[n-]1 ZINC000871941301 589836298 /nfs/dbraw/zinc/83/62/98/589836298.db2.gz ZJLKESNLODNROR-UHFFFAOYSA-N -1 1 248.301 3.355 20 0 BGADMM CC(C)(C)Cn1[n-]c2c(c1=O)CCC(C)(C)C2 ZINC000871943579 589837747 /nfs/dbraw/zinc/83/77/47/589837747.db2.gz NEONGQDKKILICP-JTQLQIEISA-N -1 1 236.359 3.057 20 0 BGADMM CC(C)(C)Cn1[n-]c2c(c1=O)CCC(C)(C)C2 ZINC000871943580 589833880 /nfs/dbraw/zinc/83/38/80/589833880.db2.gz NEONGQDKKILICP-SNVBAGLBSA-N -1 1 236.359 3.057 20 0 BGADMM CC1(C)CCc2c([n-]n(CC3CCCC3)c2=O)C1 ZINC000871944420 589837787 /nfs/dbraw/zinc/83/77/87/589837787.db2.gz MASXPYRIILVRRQ-GFCCVEGCSA-N -1 1 248.370 3.201 20 0 BGADMM CC1(C)CCc2c([n-]n(CC3CCCC3)c2=O)C1 ZINC000871944421 589838016 /nfs/dbraw/zinc/83/80/16/589838016.db2.gz MASXPYRIILVRRQ-LBPRGKRZSA-N -1 1 248.370 3.201 20 0 BGADMM CC(C)CCc1cc(=O)n(-c2cccc(F)c2)[n-]1 ZINC000871946973 589838649 /nfs/dbraw/zinc/83/86/49/589838649.db2.gz MBPDEOYBXWFSPJ-UHFFFAOYSA-N -1 1 248.301 3.355 20 0 BGADMM Cc1[n-]n(-c2ccc(C(C)(C)C)cc2)c(=O)c1F ZINC000871947284 589838237 /nfs/dbraw/zinc/83/82/37/589838237.db2.gz VZZOLIHARJRNNQ-GFCCVEGCSA-N -1 1 248.301 3.045 20 0 BGADMM Cc1[n-]n(-c2ccc(C(C)(C)C)cc2)c(=O)c1F ZINC000871947285 589838584 /nfs/dbraw/zinc/83/85/84/589838584.db2.gz VZZOLIHARJRNNQ-LBPRGKRZSA-N -1 1 248.301 3.045 20 0 BGADMM CCc1[n-]n(-c2ccc(C(C)C)cc2)c(=O)c1F ZINC000871947870 589838581 /nfs/dbraw/zinc/83/85/81/589838581.db2.gz FHDMLLOFOWZGOG-CYBMUJFWSA-N -1 1 248.301 3.261 20 0 BGADMM CCc1[n-]n(-c2ccc(C(C)C)cc2)c(=O)c1F ZINC000871947871 589838420 /nfs/dbraw/zinc/83/84/20/589838420.db2.gz FHDMLLOFOWZGOG-ZDUSSCGKSA-N -1 1 248.301 3.261 20 0 BGADMM CC1(C)CCc2c([n-]n(C3CCCCC3)c2=O)C1 ZINC000871947907 589838669 /nfs/dbraw/zinc/83/86/69/589838669.db2.gz MCZKXAUINBPPIO-GFCCVEGCSA-N -1 1 248.370 3.344 20 0 BGADMM CC1(C)CCc2c([n-]n(C3CCCCC3)c2=O)C1 ZINC000871947908 589838628 /nfs/dbraw/zinc/83/86/28/589838628.db2.gz MCZKXAUINBPPIO-LBPRGKRZSA-N -1 1 248.370 3.344 20 0 BGADMM CCC(CC)n1[n-]c2c(c1=O)CCC(C)(C)C2 ZINC000871950797 589840758 /nfs/dbraw/zinc/84/07/58/589840758.db2.gz HUFDGOBZXNPOPF-LLVKDONJSA-N -1 1 236.359 3.200 20 0 BGADMM CCC(CC)n1[n-]c2c(c1=O)CCC(C)(C)C2 ZINC000871950798 589836258 /nfs/dbraw/zinc/83/62/58/589836258.db2.gz HUFDGOBZXNPOPF-NSHDSACASA-N -1 1 236.359 3.200 20 0 BGADMM CCCCCC[C@@H](C)n1[n-]c(C)c(C)c1=O ZINC000871959242 589844502 /nfs/dbraw/zinc/84/45/02/589844502.db2.gz JSOHBZJCHZDDLZ-GHMZBOCLSA-N -1 1 224.348 3.200 20 0 BGADMM CCCCCC[C@@H](C)n1[n-]c(C)c(C)c1=O ZINC000871959243 589844228 /nfs/dbraw/zinc/84/42/28/589844228.db2.gz JSOHBZJCHZDDLZ-MNOVXSKESA-N -1 1 224.348 3.200 20 0 BGADMM CCCCCC[C@H](C)n1[n-]c(C)c(C)c1=O ZINC000871959244 589844260 /nfs/dbraw/zinc/84/42/60/589844260.db2.gz JSOHBZJCHZDDLZ-QWRGUYRKSA-N -1 1 224.348 3.200 20 0 BGADMM CCCCCC[C@H](C)n1[n-]c(C)c(C)c1=O ZINC000871959245 589844456 /nfs/dbraw/zinc/84/44/56/589844456.db2.gz JSOHBZJCHZDDLZ-WDEREUQCSA-N -1 1 224.348 3.200 20 0 BGADMM CCCC[C@H](C)C(=O)[N-]Oc1ccccc1F ZINC000874910071 590154205 /nfs/dbraw/zinc/15/42/05/590154205.db2.gz KIKPZKJJHXWKLV-JTQLQIEISA-N -1 1 239.290 3.062 20 0 BGADMM CCCC[C@@H](C)C(=O)[N-]Oc1ccccc1F ZINC000874910072 590154059 /nfs/dbraw/zinc/15/40/59/590154059.db2.gz KIKPZKJJHXWKLV-SNVBAGLBSA-N -1 1 239.290 3.062 20 0 BGADMM CCC[C@H](CC)C(=O)[N-]Oc1ccccc1F ZINC000874912403 590155132 /nfs/dbraw/zinc/15/51/32/590155132.db2.gz JFFPLYWNGVFENB-JTQLQIEISA-N -1 1 239.290 3.062 20 0 BGADMM CCC[C@@H](CC)C(=O)[N-]Oc1ccccc1F ZINC000874912404 590155138 /nfs/dbraw/zinc/15/51/38/590155138.db2.gz JFFPLYWNGVFENB-SNVBAGLBSA-N -1 1 239.290 3.062 20 0 BGADMM CC(C)c1ccccc1C=C1SC(=O)[N-]C1=O 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/nfs/dbraw/zinc/78/19/67/588781967.db2.gz FLBDFSFZJNTPOM-LURJTMIESA-N -1 1 245.681 3.169 20 0 BGADMM CC[C@@H](C)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885674068 588781975 /nfs/dbraw/zinc/78/19/75/588781975.db2.gz FLBDFSFZJNTPOM-ZCFIWIBFSA-N -1 1 245.681 3.169 20 0 BGADMM CC(C)CC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885674378 592091729 /nfs/dbraw/zinc/09/17/29/592091729.db2.gz NFGTXCALJPBRBO-UHFFFAOYSA-N -1 1 245.681 3.169 20 0 BGADMM CCCCC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885674438 592092040 /nfs/dbraw/zinc/09/20/40/592092040.db2.gz PJOAFHUGVTWWDO-UHFFFAOYSA-N -1 1 245.681 3.313 20 0 BGADMM CC(C)(C)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885674830 592092122 /nfs/dbraw/zinc/09/21/22/592092122.db2.gz WHPRXUVSWLWTOJ-UHFFFAOYSA-N -1 1 245.681 3.169 20 0 BGADMM Cc1occc1C[N@@H+](C)Cc1ccc(O)c(F)c1 ZINC000891791806 582721704 /nfs/dbraw/zinc/72/17/04/582721704.db2.gz AUQVAZHSPQJFKD-UHFFFAOYSA-N -1 1 249.285 3.065 20 0 BGADMM CC1=C(C)CN(Cc2ccc(O)c(F)c2)CC1 ZINC000894192964 583333593 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