smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000019477722 170141824 /nfs/dbraw/zinc/14/18/24/170141824.db2.gz GQWGLFAPMXZCIC-JTQLQIEISA-N 0 1 215.296 3.216 20 10 BGCDMN CC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000019477724 170159473 /nfs/dbraw/zinc/15/94/73/170159473.db2.gz GQWGLFAPMXZCIC-SNVBAGLBSA-N 0 1 215.296 3.216 20 10 BGCDMN CCC(C)(C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000019880077 168299032 /nfs/dbraw/zinc/29/90/32/168299032.db2.gz HSYMTHVLMJAVDM-UHFFFAOYSA-N 0 1 227.735 3.324 20 10 BGCDMN CCC(CC)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000019883965 168389876 /nfs/dbraw/zinc/38/98/76/168389876.db2.gz MOXWTOQJBJDNME-UHFFFAOYSA-N 0 1 227.735 3.324 20 10 BGCDMN CCCCC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000019901434 342962139 /nfs/dbraw/zinc/96/21/39/342962139.db2.gz OEODHGKLFNTJRB-UHFFFAOYSA-N 0 1 227.735 3.325 20 10 BGCDMN CCC[C@@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000019902947 169370260 /nfs/dbraw/zinc/37/02/60/169370260.db2.gz WXIMXSHABAYMEC-SECBINFHSA-N 0 1 227.735 3.324 20 10 BGCDMN CCC[C@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000019902948 590040306 /nfs/dbraw/zinc/04/03/06/590040306.db2.gz WXIMXSHABAYMEC-VIFPVBQESA-N 0 1 227.735 3.324 20 10 BGCDMN CC(C)CC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000019912060 384560794 /nfs/dbraw/zinc/56/07/94/384560794.db2.gz ULIJAJQESLRUCD-UHFFFAOYSA-N 0 1 227.735 3.181 20 10 BGCDMN C[C@@H](NCc1ccc(N(C)C)cc1)c1ccco1 ZINC000020146062 384586144 /nfs/dbraw/zinc/58/61/44/384586144.db2.gz LKPMKPBJMYLZOZ-GFCCVEGCSA-N 0 1 244.338 3.196 20 10 BGCDMN C[C@H](NCc1ccc(N(C)C)cc1)c1ccco1 ZINC000020146063 384585214 /nfs/dbraw/zinc/58/52/14/384585214.db2.gz LKPMKPBJMYLZOZ-LBPRGKRZSA-N 0 1 244.338 3.196 20 10 BGCDMN CC(C)[C@@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000020523029 167381653 /nfs/dbraw/zinc/38/16/53/167381653.db2.gz LXUCOYWDZCWDIN-SECBINFHSA-N 0 1 227.735 3.180 20 10 BGCDMN CC(C)[C@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000020523031 187253880 /nfs/dbraw/zinc/25/38/80/187253880.db2.gz LXUCOYWDZCWDIN-VIFPVBQESA-N 0 1 227.735 3.180 20 10 BGCDMN C[C@@H]([NH2+]C1CC1)c1ccc2ccccc2c1[O-] ZINC000022219063 384744289 /nfs/dbraw/zinc/74/42/89/384744289.db2.gz WFIXACVVXZYYRL-SNVBAGLBSA-N 0 1 227.307 3.358 20 10 BGCDMN C[C@H]([NH2+]C1CC1)c1ccc2ccccc2c1[O-] ZINC000022219065 384748073 /nfs/dbraw/zinc/74/80/73/384748073.db2.gz WFIXACVVXZYYRL-JTQLQIEISA-N 0 1 227.307 3.358 20 10 BGCDMN C[C@H](NCc1ccco1)c1ccc(N(C)C)cc1 ZINC000037184226 383953189 /nfs/dbraw/zinc/95/31/89/383953189.db2.gz RJQBULQTECTXAK-LBPRGKRZSA-N 0 1 244.338 3.196 20 10 BGCDMN C[C@@H](NCc1ccco1)c1ccc(N(C)C)cc1 ZINC000037184227 343338323 /nfs/dbraw/zinc/33/83/23/343338323.db2.gz RJQBULQTECTXAK-GFCCVEGCSA-N 0 1 244.338 3.196 20 10 BGCDMN C[C@H](NCc1ccc2c(c1)CCO2)c1ccco1 ZINC000037363062 712574945 /nfs/dbraw/zinc/57/49/45/712574945.db2.gz CBFQTKPBGHYHMI-NSHDSACASA-N 0 1 243.306 3.065 20 10 BGCDMN C[C@@H](NCc1ccc2c(c1)CCO2)c1ccco1 ZINC000037363064 712575153 /nfs/dbraw/zinc/57/51/53/712575153.db2.gz CBFQTKPBGHYHMI-LLVKDONJSA-N 0 1 243.306 3.065 20 10 BGCDMN Cc1csc(CN[C@@H](C)c2ccccc2O)n1 ZINC000038090752 188290898 /nfs/dbraw/zinc/29/08/98/188290898.db2.gz MFGNDCJWAWPFNN-JTQLQIEISA-N 0 1 248.351 3.008 20 10 BGCDMN Cc1csc(CN[C@H](C)c2ccccc2O)n1 ZINC000038090753 343370426 /nfs/dbraw/zinc/37/04/26/343370426.db2.gz MFGNDCJWAWPFNN-SNVBAGLBSA-N 0 1 248.351 3.008 20 10 BGCDMN CC(C)(C)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000040492561 633810141 /nfs/dbraw/zinc/81/01/41/633810141.db2.gz HHIDSUIRLJSVNO-UHFFFAOYSA-N 0 1 227.735 3.181 20 10 BGCDMN Cc1nc(CN[C@@H](C)c2ccccc2O)cs1 ZINC000041010314 641538642 /nfs/dbraw/zinc/53/86/42/641538642.db2.gz DCZCHGYDEWKEGT-VIFPVBQESA-N 0 1 248.351 3.008 20 10 BGCDMN Cc1nc(CN[C@H](C)c2ccccc2O)cs1 ZINC000041010315 641539297 /nfs/dbraw/zinc/53/92/97/641539297.db2.gz DCZCHGYDEWKEGT-SECBINFHSA-N 0 1 248.351 3.008 20 10 BGCDMN CC[C@H](NCc1nccs1)c1ccccc1O ZINC000041011976 343412267 /nfs/dbraw/zinc/41/22/67/343412267.db2.gz LBMWHPOVBJLTQK-NSHDSACASA-N 0 1 248.351 3.090 20 10 BGCDMN CC[C@@H](NCc1nccs1)c1ccccc1O ZINC000041011978 343412561 /nfs/dbraw/zinc/41/25/61/343412561.db2.gz LBMWHPOVBJLTQK-LLVKDONJSA-N 0 1 248.351 3.090 20 10 BGCDMN Cc1ccc([C@@H](C)NCc2nccs2)c(O)c1 ZINC000041012301 384173344 /nfs/dbraw/zinc/17/33/44/384173344.db2.gz QUXIHZBCQTUOPR-SNVBAGLBSA-N 0 1 248.351 3.008 20 10 BGCDMN Cc1ccc([C@H](C)NCc2nccs2)c(O)c1 ZINC000041012303 384174078 /nfs/dbraw/zinc/17/40/78/384174078.db2.gz QUXIHZBCQTUOPR-JTQLQIEISA-N 0 1 248.351 3.008 20 10 BGCDMN Cc1ccc(O)c([C@@H](C)NCc2nccs2)c1 ZINC000041012528 641539812 /nfs/dbraw/zinc/53/98/12/641539812.db2.gz LIRBDXUYMBCRAM-SNVBAGLBSA-N 0 1 248.351 3.008 20 10 BGCDMN Cc1ccc(O)c([C@H](C)NCc2nccs2)c1 ZINC000041012530 641538911 /nfs/dbraw/zinc/53/89/11/641538911.db2.gz LIRBDXUYMBCRAM-JTQLQIEISA-N 0 1 248.351 3.008 20 10 BGCDMN CCC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000050273178 169275764 /nfs/dbraw/zinc/27/57/64/169275764.db2.gz KSFVKAVBSQSVDX-QMMMGPOBSA-N 0 1 213.708 3.106 20 10 BGCDMN CCC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000050273179 169287172 /nfs/dbraw/zinc/28/71/72/169287172.db2.gz KSFVKAVBSQSVDX-MRVPVSSYSA-N 0 1 213.708 3.106 20 10 BGCDMN COc1ccc(CNCc2ccc(C)o2)cc1C ZINC000053036614 711648697 /nfs/dbraw/zinc/64/86/97/711648697.db2.gz BRRTVFXFQSMMSA-UHFFFAOYSA-N 0 1 245.322 3.195 20 10 BGCDMN CC[C@@H](C)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000054467325 636719603 /nfs/dbraw/zinc/71/96/03/636719603.db2.gz IDLUEXOLINLZMU-SECBINFHSA-N 0 1 227.735 3.181 20 10 BGCDMN CC[C@@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000062183896 343736374 /nfs/dbraw/zinc/73/63/74/343736374.db2.gz NVRSOJSZYWYFPJ-CYBMUJFWSA-N 0 1 219.328 3.157 20 10 BGCDMN CC[C@@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000062183896 343736373 /nfs/dbraw/zinc/73/63/73/343736373.db2.gz NVRSOJSZYWYFPJ-CYBMUJFWSA-N 0 1 219.328 3.157 20 10 BGCDMN CC[C@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000062183899 385163648 /nfs/dbraw/zinc/16/36/48/385163648.db2.gz NVRSOJSZYWYFPJ-ZDUSSCGKSA-N 0 1 219.328 3.157 20 10 BGCDMN CC[C@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000062183899 385163646 /nfs/dbraw/zinc/16/36/46/385163646.db2.gz NVRSOJSZYWYFPJ-ZDUSSCGKSA-N 0 1 219.328 3.157 20 10 BGCDMN CCC[N@@H+](C)Cc1c([O-])ccc2ccccc21 ZINC000063730663 169079931 /nfs/dbraw/zinc/07/99/31/169079931.db2.gz MHWVRTOMGGIHRZ-UHFFFAOYSA-N 0 1 229.323 3.387 20 10 BGCDMN CCC[N@H+](C)Cc1c([O-])ccc2ccccc21 ZINC000063730663 169079929 /nfs/dbraw/zinc/07/99/29/169079929.db2.gz MHWVRTOMGGIHRZ-UHFFFAOYSA-N 0 1 229.323 3.387 20 10 BGCDMN Cc1csc([C@@H](C)NCc2ccccc2O)n1 ZINC000069168283 642834832 /nfs/dbraw/zinc/83/48/32/642834832.db2.gz MTLRKOURONXZJU-SNVBAGLBSA-N 0 1 248.351 3.008 20 10 BGCDMN Cc1csc([C@H](C)NCc2ccccc2O)n1 ZINC000069168284 642834796 /nfs/dbraw/zinc/83/47/96/642834796.db2.gz MTLRKOURONXZJU-JTQLQIEISA-N 0 1 248.351 3.008 20 10 BGCDMN C[C@@H](CC1CC1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000069662750 642890534 /nfs/dbraw/zinc/89/05/34/642890534.db2.gz OUAMEWVGBISILH-VIFPVBQESA-N 0 1 239.746 3.324 20 10 BGCDMN C[C@H](CC1CC1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000069662755 642891709 /nfs/dbraw/zinc/89/17/09/642891709.db2.gz OUAMEWVGBISILH-SECBINFHSA-N 0 1 239.746 3.324 20 10 BGCDMN C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000070826713 643072630 /nfs/dbraw/zinc/07/26/30/643072630.db2.gz SIOCGUBYXQZSEO-SKDRFNHKSA-N 0 1 239.746 3.324 20 10 BGCDMN C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000070826718 643071613 /nfs/dbraw/zinc/07/16/13/643071613.db2.gz SIOCGUBYXQZSEO-CABZTGNLSA-N 0 1 239.746 3.324 20 10 BGCDMN C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000070826721 643072583 /nfs/dbraw/zinc/07/25/83/643072583.db2.gz SIOCGUBYXQZSEO-BXKDBHETSA-N 0 1 239.746 3.324 20 10 BGCDMN C[C@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000070826725 643073075 /nfs/dbraw/zinc/07/30/75/643073075.db2.gz SIOCGUBYXQZSEO-JOYOIKCWSA-N 0 1 239.746 3.324 20 10 BGCDMN CCC[N@H+](Cc1ccccc1[O-])CC(C)C ZINC000075829114 643698173 /nfs/dbraw/zinc/69/81/73/643698173.db2.gz CEJJQFWXNALNIH-UHFFFAOYSA-N 0 1 221.344 3.260 20 10 BGCDMN CCC[N@@H+](Cc1ccccc1[O-])CC(C)C ZINC000075829114 643698169 /nfs/dbraw/zinc/69/81/69/643698169.db2.gz CEJJQFWXNALNIH-UHFFFAOYSA-N 0 1 221.344 3.260 20 10 BGCDMN [O-]c1ccc(Cl)cc1C[NH2+]CCCC1CC1 ZINC000076768072 641826298 /nfs/dbraw/zinc/82/62/98/641826298.db2.gz ABBJMASGQWKJLQ-UHFFFAOYSA-N 0 1 239.746 3.325 20 10 BGCDMN CC[C@H](NCc1ccccc1O)c1nccs1 ZINC000078003969 636856287 /nfs/dbraw/zinc/85/62/87/636856287.db2.gz KJTARMOJMRVHMD-NSHDSACASA-N 0 1 248.351 3.090 20 10 BGCDMN CC[C@@H](NCc1ccccc1O)c1nccs1 ZINC000078003971 641895073 /nfs/dbraw/zinc/89/50/73/641895073.db2.gz KJTARMOJMRVHMD-LLVKDONJSA-N 0 1 248.351 3.090 20 10 BGCDMN CC(C)[C@@H](C)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000081046373 644303181 /nfs/dbraw/zinc/30/31/81/644303181.db2.gz BZGXYRDHDJXJAL-JTQLQIEISA-N 0 1 241.762 3.427 20 10 BGCDMN CC(C)[C@H](C)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000081046374 644303075 /nfs/dbraw/zinc/30/30/75/644303075.db2.gz BZGXYRDHDJXJAL-SNVBAGLBSA-N 0 1 241.762 3.427 20 10 BGCDMN C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000083364994 176080652 /nfs/dbraw/zinc/08/06/52/176080652.db2.gz OQISHZBUUQDSMV-MFKMUULPSA-N 0 1 237.318 3.200 20 10 BGCDMN C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000083364995 177082511 /nfs/dbraw/zinc/08/25/11/177082511.db2.gz OQISHZBUUQDSMV-GWCFXTLKSA-N 0 1 237.318 3.200 20 10 BGCDMN C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000083364996 176088665 /nfs/dbraw/zinc/08/86/65/176088665.db2.gz OQISHZBUUQDSMV-ZWNOBZJWSA-N 0 1 237.318 3.200 20 10 BGCDMN C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000083364997 177088655 /nfs/dbraw/zinc/08/86/55/177088655.db2.gz OQISHZBUUQDSMV-GXFFZTMASA-N 0 1 237.318 3.200 20 10 BGCDMN [O-]c1ccc(F)cc1C[NH2+]C1CCCCCC1 ZINC000083365007 183274445 /nfs/dbraw/zinc/27/44/45/183274445.db2.gz PHAUONZNWKHAIU-UHFFFAOYSA-N 0 1 237.318 3.344 20 10 BGCDMN [O-]c1cccc(Cl)c1C[NH2+]C1CCCC1 ZINC000083551205 183292896 /nfs/dbraw/zinc/29/28/96/183292896.db2.gz XHWQUHLIYDPVLT-UHFFFAOYSA-N 0 1 225.719 3.078 20 10 BGCDMN CC(C)CC[NH2+]Cc1c([O-])cccc1Cl ZINC000083551239 491126437 /nfs/dbraw/zinc/12/64/37/491126437.db2.gz QLYVLBVTBILUTC-UHFFFAOYSA-N 0 1 227.735 3.181 20 10 BGCDMN CCCCC[NH2+]Cc1c([O-])cccc1Cl ZINC000083551266 491126490 /nfs/dbraw/zinc/12/64/90/491126490.db2.gz DDIKYLJLMGKXLH-UHFFFAOYSA-N 0 1 227.735 3.325 20 10 BGCDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1CC=CCC1 ZINC000083799552 183292728 /nfs/dbraw/zinc/29/27/28/183292728.db2.gz IKQGFZHHMONQDO-JTQLQIEISA-N 0 1 237.730 3.244 20 10 BGCDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H]1CC=CCC1 ZINC000083799556 183293241 /nfs/dbraw/zinc/29/32/41/183293241.db2.gz IKQGFZHHMONQDO-SNVBAGLBSA-N 0 1 237.730 3.244 20 10 BGCDMN CCC(CC)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000087111315 168391310 /nfs/dbraw/zinc/39/13/10/168391310.db2.gz AOWPIOGIPCXEHR-VIFPVBQESA-N 0 1 225.307 3.371 20 10 BGCDMN CCC(CC)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000087111316 168392822 /nfs/dbraw/zinc/39/28/22/168392822.db2.gz AOWPIOGIPCXEHR-SECBINFHSA-N 0 1 225.307 3.371 20 10 BGCDMN C[C@H]([NH2+]CC(C)(C)C)c1cc(F)ccc1[O-] ZINC000087111387 385075629 /nfs/dbraw/zinc/07/56/29/385075629.db2.gz VCWSZILDOUQKCG-VIFPVBQESA-N 0 1 225.307 3.228 20 10 BGCDMN C[C@@H]([NH2+]CC(C)(C)C)c1cc(F)ccc1[O-] ZINC000087111388 385073664 /nfs/dbraw/zinc/07/36/64/385073664.db2.gz VCWSZILDOUQKCG-SECBINFHSA-N 0 1 225.307 3.228 20 10 BGCDMN C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])[C@@H]1C ZINC000091859769 644641978 /nfs/dbraw/zinc/64/19/78/644641978.db2.gz YHDPCGCJWUQJMH-NXEZZACHSA-N 0 1 239.746 3.276 20 10 BGCDMN C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])[C@@H]1C ZINC000091859769 644641975 /nfs/dbraw/zinc/64/19/75/644641975.db2.gz YHDPCGCJWUQJMH-NXEZZACHSA-N 0 1 239.746 3.276 20 10 BGCDMN C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)[C@@H]1C ZINC000091859769 644641972 /nfs/dbraw/zinc/64/19/72/644641972.db2.gz YHDPCGCJWUQJMH-NXEZZACHSA-N 0 1 239.746 3.276 20 10 BGCDMN C[C@@H]1[C@@H](C)CC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000091859771 644643200 /nfs/dbraw/zinc/64/32/00/644643200.db2.gz YHDPCGCJWUQJMH-VHSXEESVSA-N 0 1 239.746 3.276 20 10 BGCDMN C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000091859771 644643197 /nfs/dbraw/zinc/64/31/97/644643197.db2.gz YHDPCGCJWUQJMH-VHSXEESVSA-N 0 1 239.746 3.276 20 10 BGCDMN C[C@@H]1[C@@H](C)CC[N@H+]1Cc1cc(Cl)ccc1O ZINC000091859771 644643193 /nfs/dbraw/zinc/64/31/93/644643193.db2.gz YHDPCGCJWUQJMH-VHSXEESVSA-N 0 1 239.746 3.276 20 10 BGCDMN CC[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000091929656 644644365 /nfs/dbraw/zinc/64/43/65/644644365.db2.gz RSPRWHZBUBXRBE-SNVBAGLBSA-N 0 1 239.746 3.278 20 10 BGCDMN CC[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000091929656 644644361 /nfs/dbraw/zinc/64/43/61/644644361.db2.gz RSPRWHZBUBXRBE-SNVBAGLBSA-N 0 1 239.746 3.278 20 10 BGCDMN CC[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000091929657 644644778 /nfs/dbraw/zinc/64/47/78/644644778.db2.gz RSPRWHZBUBXRBE-JTQLQIEISA-N 0 1 239.746 3.278 20 10 BGCDMN CC[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000091929657 644644775 /nfs/dbraw/zinc/64/47/75/644644775.db2.gz RSPRWHZBUBXRBE-JTQLQIEISA-N 0 1 239.746 3.278 20 10 BGCDMN C[C@@H]1CC[C@H](C)[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000091937598 644644152 /nfs/dbraw/zinc/64/41/52/644644152.db2.gz FGSPGWUCULUPLE-AOOOYVTPSA-N 0 1 239.746 3.418 20 10 BGCDMN C[C@@H]1CC[C@H](C)[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000091937598 644644145 /nfs/dbraw/zinc/64/41/45/644644145.db2.gz FGSPGWUCULUPLE-AOOOYVTPSA-N 0 1 239.746 3.418 20 10 BGCDMN C[C@H]1CC[C@H](C)[NH+]1Cc1cc(Cl)ccc1[O-] ZINC000091937599 644644851 /nfs/dbraw/zinc/64/48/51/644644851.db2.gz FGSPGWUCULUPLE-UWVGGRQHSA-N 0 1 239.746 3.418 20 10 BGCDMN C[C@@H]1CC[C@@H](C)[NH+]1Cc1cc(Cl)ccc1[O-] ZINC000091937600 644645106 /nfs/dbraw/zinc/64/51/06/644645106.db2.gz FGSPGWUCULUPLE-NXEZZACHSA-N 0 1 239.746 3.418 20 10 BGCDMN CCOc1cccc(C[N@@H+](C)CCC2CC2)c1O ZINC000092067122 384163073 /nfs/dbraw/zinc/16/30/73/384163073.db2.gz GATHUJZVJQYFLW-UHFFFAOYSA-N 0 1 249.354 3.023 20 10 BGCDMN C[N@@H+](CCC1CC1)Cc1cc(Cl)ccc1[O-] ZINC000092067125 644646302 /nfs/dbraw/zinc/64/63/02/644646302.db2.gz UYROZMVTSFKJOW-UHFFFAOYSA-N 0 1 239.746 3.278 20 10 BGCDMN C[N@H+](CCC1CC1)Cc1cc(Cl)ccc1[O-] ZINC000092067125 644646300 /nfs/dbraw/zinc/64/63/00/644646300.db2.gz UYROZMVTSFKJOW-UHFFFAOYSA-N 0 1 239.746 3.278 20 10 BGCDMN CCOc1ccc(O)c(C[N@@H+](C)CCC2CC2)c1 ZINC000092067209 384162659 /nfs/dbraw/zinc/16/26/59/384162659.db2.gz FSKZPRBWDVMMJX-UHFFFAOYSA-N 0 1 249.354 3.023 20 10 BGCDMN Cc1ccc(O)c(C[N@H+]2CCC3(CCC3)C2)c1 ZINC000093455968 384238669 /nfs/dbraw/zinc/23/86/69/384238669.db2.gz XGGVUCDXTXAOPQ-UHFFFAOYSA-N 0 1 231.339 3.077 20 10 BGCDMN C[N@@H+](Cc1cc(Cl)ccc1[O-])C1CCC1 ZINC000093475783 634550588 /nfs/dbraw/zinc/55/05/88/634550588.db2.gz WVHZHIQHJDMWDU-UHFFFAOYSA-N 0 1 225.719 3.030 20 10 BGCDMN C[N@H+](Cc1cc(Cl)ccc1[O-])C1CCC1 ZINC000093475783 634550584 /nfs/dbraw/zinc/55/05/84/634550584.db2.gz WVHZHIQHJDMWDU-UHFFFAOYSA-N 0 1 225.719 3.030 20 10 BGCDMN C[C@H]([NH2+]C(C1CC1)C1CC1)c1cc(F)ccc1[O-] ZINC000094616887 384306859 /nfs/dbraw/zinc/30/68/59/384306859.db2.gz QXWUZIRHFBHENS-VIFPVBQESA-N 0 1 249.329 3.371 20 10 BGCDMN C[C@@H]([NH2+]C(C1CC1)C1CC1)c1cc(F)ccc1[O-] ZINC000094616888 384306376 /nfs/dbraw/zinc/30/63/76/384306376.db2.gz QXWUZIRHFBHENS-SECBINFHSA-N 0 1 249.329 3.371 20 10 BGCDMN C[C@H]([NH2+]CC1CCCC1)c1cc(F)ccc1[O-] ZINC000094617073 644720558 /nfs/dbraw/zinc/72/05/58/644720558.db2.gz VDUWEZOIMRXDND-JTQLQIEISA-N 0 1 237.318 3.372 20 10 BGCDMN C[C@@H]([NH2+]CC1CCCC1)c1cc(F)ccc1[O-] ZINC000094617074 644720872 /nfs/dbraw/zinc/72/08/72/644720872.db2.gz VDUWEZOIMRXDND-SNVBAGLBSA-N 0 1 237.318 3.372 20 10 BGCDMN C[C@H]([NH2+][C@H]1CCC[C@H]1C)c1cc(F)ccc1[O-] ZINC000094618183 644721602 /nfs/dbraw/zinc/72/16/02/644721602.db2.gz SRKUPDLHCJFCSJ-NRUUGDAUSA-N 0 1 237.318 3.371 20 10 BGCDMN C[C@H]([NH2+][C@H]1CCC[C@@H]1C)c1cc(F)ccc1[O-] ZINC000094618184 644721583 /nfs/dbraw/zinc/72/15/83/644721583.db2.gz SRKUPDLHCJFCSJ-KWBADKCTSA-N 0 1 237.318 3.371 20 10 BGCDMN C[C@H]([NH2+][C@@H]1CCC[C@H]1C)c1cc(F)ccc1[O-] ZINC000094618185 644720860 /nfs/dbraw/zinc/72/08/60/644720860.db2.gz SRKUPDLHCJFCSJ-GBIKHYSHSA-N 0 1 237.318 3.371 20 10 BGCDMN C[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1cc(F)ccc1[O-] ZINC000094618186 635378737 /nfs/dbraw/zinc/37/87/37/635378737.db2.gz SRKUPDLHCJFCSJ-OUJBWJOFSA-N 0 1 237.318 3.371 20 10 BGCDMN CC(C)[C@@H](C)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094618325 644721346 /nfs/dbraw/zinc/72/13/46/644721346.db2.gz XAFWZCOXDCIFPT-QWRGUYRKSA-N 0 1 239.334 3.474 20 10 BGCDMN CC(C)[C@H](C)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094618326 644723296 /nfs/dbraw/zinc/72/32/96/644723296.db2.gz XAFWZCOXDCIFPT-MNOVXSKESA-N 0 1 239.334 3.474 20 10 BGCDMN CC(C)[C@@H](C)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000094618327 644723967 /nfs/dbraw/zinc/72/39/67/644723967.db2.gz XAFWZCOXDCIFPT-WDEREUQCSA-N 0 1 239.334 3.474 20 10 BGCDMN CC(C)[C@H](C)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000094618328 644722185 /nfs/dbraw/zinc/72/21/85/644722185.db2.gz XAFWZCOXDCIFPT-GHMZBOCLSA-N 0 1 239.334 3.474 20 10 BGCDMN C[C@H](NCc1ccc(N(C)C)cc1)c1ccoc1 ZINC000094867682 644730688 /nfs/dbraw/zinc/73/06/88/644730688.db2.gz XHHBUYYZHOHSEH-LBPRGKRZSA-N 0 1 244.338 3.196 20 10 BGCDMN C[C@@H](NCc1ccc(N(C)C)cc1)c1ccoc1 ZINC000094867683 644731008 /nfs/dbraw/zinc/73/10/08/644731008.db2.gz XHHBUYYZHOHSEH-GFCCVEGCSA-N 0 1 244.338 3.196 20 10 BGCDMN CC[NH+](CC)Cc1cc(Cl)c(C)cc1[O-] ZINC000100692552 636530507 /nfs/dbraw/zinc/53/05/07/636530507.db2.gz KWCDDTKAWPPKER-UHFFFAOYSA-N 0 1 227.735 3.196 20 10 BGCDMN Cc1cc([O-])c(C[NH+]2CCCCC2)cc1Cl ZINC000100692558 636530479 /nfs/dbraw/zinc/53/04/79/636530479.db2.gz FYCNCDIVDYOEQF-UHFFFAOYSA-N 0 1 239.746 3.340 20 10 BGCDMN Cc1ccc(O)c([C@@H](C)NCc2cscn2)c1 ZINC000104436521 587960888 /nfs/dbraw/zinc/96/08/88/587960888.db2.gz HHQBQNXNEOOODZ-SNVBAGLBSA-N 0 1 248.351 3.008 20 10 BGCDMN Cc1ccc(O)c([C@H](C)NCc2cscn2)c1 ZINC000104436525 587961145 /nfs/dbraw/zinc/96/11/45/587961145.db2.gz HHQBQNXNEOOODZ-JTQLQIEISA-N 0 1 248.351 3.008 20 10 BGCDMN Cc1ccc([C@@H](C)NCc2cscn2)c(O)c1 ZINC000108941475 588505727 /nfs/dbraw/zinc/50/57/27/588505727.db2.gz SYGOJOPTTHPHAQ-SNVBAGLBSA-N 0 1 248.351 3.008 20 10 BGCDMN Cc1ccc([C@H](C)NCc2cscn2)c(O)c1 ZINC000108941477 588505679 /nfs/dbraw/zinc/50/56/79/588505679.db2.gz SYGOJOPTTHPHAQ-JTQLQIEISA-N 0 1 248.351 3.008 20 10 BGCDMN CC[C@H](NCc1cscn1)c1ccccc1O ZINC000108941525 588505792 /nfs/dbraw/zinc/50/57/92/588505792.db2.gz QVEOHSFKUNMCHC-LBPRGKRZSA-N 0 1 248.351 3.090 20 10 BGCDMN CC[C@@H](NCc1cscn1)c1ccccc1O ZINC000108941527 588505773 /nfs/dbraw/zinc/50/57/73/588505773.db2.gz QVEOHSFKUNMCHC-GFCCVEGCSA-N 0 1 248.351 3.090 20 10 BGCDMN Cc1ccc(C[N@H+](C)Cc2ccccc2O)cc1 ZINC000109771094 588592176 /nfs/dbraw/zinc/59/21/76/588592176.db2.gz ZHGQTZJBFQJVLC-UHFFFAOYSA-N 0 1 241.334 3.333 20 10 BGCDMN CN(Cc1ccccc1O)Cc1ccccc1F ZINC000109771251 588592475 /nfs/dbraw/zinc/59/24/75/588592475.db2.gz ZUSITMHRVLBBPQ-UHFFFAOYSA-N 0 1 245.297 3.163 20 10 BGCDMN C[N@H+](Cc1ccccc1O)CC1CCCCC1 ZINC000109772490 588592373 /nfs/dbraw/zinc/59/23/73/588592373.db2.gz SDFBCTAYUILVJV-UHFFFAOYSA-N 0 1 233.355 3.404 20 10 BGCDMN C[N@@H+](CCc1cccs1)Cc1ccccc1O ZINC000109772771 588592221 /nfs/dbraw/zinc/59/22/21/588592221.db2.gz AMCXABAUOZKTTO-UHFFFAOYSA-N 0 1 247.363 3.128 20 10 BGCDMN C[N@@H+](Cc1cccc(F)c1)Cc1ccccc1O ZINC000109773443 588592203 /nfs/dbraw/zinc/59/22/03/588592203.db2.gz VNZSDRJTRLICRK-UHFFFAOYSA-N 0 1 245.297 3.163 20 10 BGCDMN CC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000109797479 344534776 /nfs/dbraw/zinc/53/47/76/344534776.db2.gz LVPWHQKLXIJZPX-UHFFFAOYSA-N 0 1 219.328 3.157 20 10 BGCDMN CC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000109797479 344534775 /nfs/dbraw/zinc/53/47/75/344534775.db2.gz LVPWHQKLXIJZPX-UHFFFAOYSA-N 0 1 219.328 3.157 20 10 BGCDMN C[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000112011589 588779940 /nfs/dbraw/zinc/77/99/40/588779940.db2.gz UKPIDTDFPSSMKW-GFCCVEGCSA-N 0 1 241.334 3.387 20 10 BGCDMN C[C@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000112011592 588780074 /nfs/dbraw/zinc/78/00/74/588780074.db2.gz UKPIDTDFPSSMKW-LBPRGKRZSA-N 0 1 241.334 3.387 20 10 BGCDMN C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])C1CCC1 ZINC000119625921 589314835 /nfs/dbraw/zinc/31/48/35/589314835.db2.gz GSZGITWAXCKJOE-VIFPVBQESA-N 0 1 239.746 3.324 20 10 BGCDMN C[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])C1CCC1 ZINC000119626053 589314868 /nfs/dbraw/zinc/31/48/68/589314868.db2.gz GSZGITWAXCKJOE-SECBINFHSA-N 0 1 239.746 3.324 20 10 BGCDMN Cc1cc(O)c(C[N@H+](C)[C@@H](C)C2CC2)cc1C ZINC000120852407 178195176 /nfs/dbraw/zinc/19/51/76/178195176.db2.gz IYRGXJBQAJZSBS-LBPRGKRZSA-N 0 1 233.355 3.239 20 10 BGCDMN Cc1cc(O)c(C[N@H+](C)[C@H](C)C2CC2)cc1C ZINC000120852581 178194642 /nfs/dbraw/zinc/19/46/42/178194642.db2.gz IYRGXJBQAJZSBS-GFCCVEGCSA-N 0 1 233.355 3.239 20 10 BGCDMN Cc1cc(O)c(C[N@H+]2CCC3(CCC3)C2)cc1C ZINC000121860280 589535959 /nfs/dbraw/zinc/53/59/59/589535959.db2.gz KWVQISJRHBHLJU-UHFFFAOYSA-N 0 1 245.366 3.385 20 10 BGCDMN [O-]c1cccc(Cl)c1C[NH+]1CCCCC1 ZINC000122337742 589581989 /nfs/dbraw/zinc/58/19/89/589581989.db2.gz YLZLEVWLKYRMFO-UHFFFAOYSA-N 0 1 225.719 3.032 20 10 BGCDMN C[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)C1CC1 ZINC000123538300 589748688 /nfs/dbraw/zinc/74/86/88/589748688.db2.gz VWBLEJAYEDENPE-VIFPVBQESA-N 0 1 239.746 3.181 20 10 BGCDMN C[C@H](C[NH2+]Cc1c([O-])cccc1Cl)C1CC1 ZINC000123538523 589748025 /nfs/dbraw/zinc/74/80/25/589748025.db2.gz VWBLEJAYEDENPE-SECBINFHSA-N 0 1 239.746 3.181 20 10 BGCDMN [O-]c1cccc(Cl)c1C[NH2+]CCCC1CC1 ZINC000124957467 590103979 /nfs/dbraw/zinc/10/39/79/590103979.db2.gz SJPNSWWXSKFWNK-UHFFFAOYSA-N 0 1 239.746 3.325 20 10 BGCDMN CC[N@H+](Cc1cc(Cl)ccc1[O-])CC1CC1 ZINC000125646396 590175982 /nfs/dbraw/zinc/17/59/82/590175982.db2.gz ILZJCZFTHATVCP-UHFFFAOYSA-N 0 1 239.746 3.278 20 10 BGCDMN CC[N@@H+](Cc1cc(Cl)ccc1[O-])CC1CC1 ZINC000125646396 590175981 /nfs/dbraw/zinc/17/59/81/590175981.db2.gz ILZJCZFTHATVCP-UHFFFAOYSA-N 0 1 239.746 3.278 20 10 BGCDMN CC[N@H+](Cc1c([O-])cccc1Cl)CC1CC1 ZINC000125656413 590176722 /nfs/dbraw/zinc/17/67/22/590176722.db2.gz QHKLKKAVZXPZKM-UHFFFAOYSA-N 0 1 239.746 3.278 20 10 BGCDMN CC[N@@H+](Cc1c([O-])cccc1Cl)CC1CC1 ZINC000125656413 590176721 /nfs/dbraw/zinc/17/67/21/590176721.db2.gz QHKLKKAVZXPZKM-UHFFFAOYSA-N 0 1 239.746 3.278 20 10 BGCDMN C[N@@H+](Cc1c([O-])cccc1Cl)C1CCC1 ZINC000127456485 384900391 /nfs/dbraw/zinc/90/03/91/384900391.db2.gz ZCONGVRYDMJKDU-UHFFFAOYSA-N 0 1 225.719 3.030 20 10 BGCDMN C[N@@H+](Cc1c(O)cccc1Cl)C1CCC1 ZINC000127456485 384900379 /nfs/dbraw/zinc/90/03/79/384900379.db2.gz ZCONGVRYDMJKDU-UHFFFAOYSA-N 0 1 225.719 3.030 20 10 BGCDMN C[C@@H]1CC[C@H]([NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000128492102 591093975 /nfs/dbraw/zinc/09/39/75/591093975.db2.gz PFJRHESMNRWQIS-ZJUUUORDSA-N 0 1 239.746 3.324 20 10 BGCDMN C[C@H]1CC[C@H]([NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000128492329 591094614 /nfs/dbraw/zinc/09/46/14/591094614.db2.gz PFJRHESMNRWQIS-UWVGGRQHSA-N 0 1 239.746 3.324 20 10 BGCDMN C[C@@H]1CC[C@@H]([NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000128492605 591095012 /nfs/dbraw/zinc/09/50/12/591095012.db2.gz PFJRHESMNRWQIS-NXEZZACHSA-N 0 1 239.746 3.324 20 10 BGCDMN C[C@H]1CC[C@@H]([NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000128492826 591094821 /nfs/dbraw/zinc/09/48/21/591094821.db2.gz PFJRHESMNRWQIS-VHSXEESVSA-N 0 1 239.746 3.324 20 10 BGCDMN C[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000128552254 591118712 /nfs/dbraw/zinc/11/87/12/591118712.db2.gz DFTULKJPLFOFRI-SKDRFNHKSA-N 0 1 239.746 3.324 20 10 BGCDMN C[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000128552463 591120623 /nfs/dbraw/zinc/12/06/23/591120623.db2.gz DFTULKJPLFOFRI-CABZTGNLSA-N 0 1 239.746 3.324 20 10 BGCDMN C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000128552690 591120571 /nfs/dbraw/zinc/12/05/71/591120571.db2.gz DFTULKJPLFOFRI-BXKDBHETSA-N 0 1 239.746 3.324 20 10 BGCDMN C[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000128552876 591119697 /nfs/dbraw/zinc/11/96/97/591119697.db2.gz DFTULKJPLFOFRI-JOYOIKCWSA-N 0 1 239.746 3.324 20 10 BGCDMN CCC1([NH2+]Cc2cc(Cl)ccc2[O-])CCC1 ZINC000129057065 591225405 /nfs/dbraw/zinc/22/54/05/591225405.db2.gz WQGBGGFEJPKWBN-UHFFFAOYSA-N 0 1 239.746 3.468 20 10 BGCDMN C[C@H](NCc1ccoc1)c1ccc(N(C)C)cc1 ZINC000129302161 387767862 /nfs/dbraw/zinc/76/78/62/387767862.db2.gz JJVBTJFKDUFGTK-LBPRGKRZSA-N 0 1 244.338 3.196 20 10 BGCDMN C[C@@H](NCc1ccoc1)c1ccc(N(C)C)cc1 ZINC000129302370 175905418 /nfs/dbraw/zinc/90/54/18/175905418.db2.gz JJVBTJFKDUFGTK-GFCCVEGCSA-N 0 1 244.338 3.196 20 10 BGCDMN [O-]c1cccc(Cl)c1C[NH2+]CCC1CCC1 ZINC000130342373 591458369 /nfs/dbraw/zinc/45/83/69/591458369.db2.gz GSUUJGMBCOAQCP-UHFFFAOYSA-N 0 1 239.746 3.325 20 10 BGCDMN [O-]c1ccc(Cl)cc1C[NH2+]CCC1CCC1 ZINC000130343904 591458292 /nfs/dbraw/zinc/45/82/92/591458292.db2.gz BHCJXMRTAXGNRX-UHFFFAOYSA-N 0 1 239.746 3.325 20 10 BGCDMN CCOc1cccc(C[N@@H+](C)C2CCCC2)c1O ZINC000131528409 385341914 /nfs/dbraw/zinc/34/19/14/385341914.db2.gz HIWXAWLANWNJGB-UHFFFAOYSA-N 0 1 249.354 3.165 20 10 BGCDMN CC[C@@H]1CCCC[N@H+]1Cc1cc(C)ccc1O ZINC000131532301 591617701 /nfs/dbraw/zinc/61/77/01/591617701.db2.gz HIRPOJWPUOTWLI-CQSZACIVSA-N 0 1 233.355 3.465 20 10 BGCDMN CC[C@H]1CCCC[N@H+]1Cc1cc(C)ccc1O ZINC000131532512 591617031 /nfs/dbraw/zinc/61/70/31/591617031.db2.gz HIRPOJWPUOTWLI-AWEZNQCLSA-N 0 1 233.355 3.465 20 10 BGCDMN CC[C@@H]1CCCC[N@H+]1Cc1cc(OC)ccc1O ZINC000131539278 591617556 /nfs/dbraw/zinc/61/75/56/591617556.db2.gz FAOMHJMWOMOYJV-CYBMUJFWSA-N 0 1 249.354 3.165 20 10 BGCDMN CCCC[N@@H+](CC)Cc1cc(OC)ccc1O ZINC000131661407 385352248 /nfs/dbraw/zinc/35/22/48/385352248.db2.gz IDUWBGOWSJVXRG-UHFFFAOYSA-N 0 1 237.343 3.023 20 10 BGCDMN Cc1ccc(O)c(C[N@H+](C)C2CCCCC2)c1 ZINC000131737897 591649777 /nfs/dbraw/zinc/64/97/77/591649777.db2.gz YDVRDYCDAMVUKU-UHFFFAOYSA-N 0 1 233.355 3.465 20 10 BGCDMN Cc1ccc(O)c(C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000131805817 591663858 /nfs/dbraw/zinc/66/38/58/591663858.db2.gz BDXHEURBENZKMA-BETUJISGSA-N 0 1 233.355 3.179 20 10 BGCDMN CCC[N@@H+](Cc1cccc(OC)c1O)C(C)C ZINC000132050980 645852592 /nfs/dbraw/zinc/85/25/92/645852592.db2.gz FRPKZRBJXKJCRB-UHFFFAOYSA-N 0 1 237.343 3.021 20 10 BGCDMN CC[C@@H]1CCC[N@@H+](Cc2cccc(OC)c2O)C1 ZINC000132252718 345324070 /nfs/dbraw/zinc/32/40/70/345324070.db2.gz NSRXKJZRUYENLG-GFCCVEGCSA-N 0 1 249.354 3.023 20 10 BGCDMN C[N@@H+](Cc1cc(Cl)ccc1[O-])C1CCCC1 ZINC000132420844 591707820 /nfs/dbraw/zinc/70/78/20/591707820.db2.gz QRXFFWYXKCGGMI-UHFFFAOYSA-N 0 1 239.746 3.420 20 10 BGCDMN C[N@H+](Cc1cc(Cl)ccc1[O-])C1CCCC1 ZINC000132420844 591707817 /nfs/dbraw/zinc/70/78/17/591707817.db2.gz QRXFFWYXKCGGMI-UHFFFAOYSA-N 0 1 239.746 3.420 20 10 BGCDMN C[N@@H+](Cc1cc(Cl)ccc1O)C1CCCC1 ZINC000132420844 591707812 /nfs/dbraw/zinc/70/78/12/591707812.db2.gz QRXFFWYXKCGGMI-UHFFFAOYSA-N 0 1 239.746 3.420 20 10 BGCDMN C[N@@H+](Cc1c([O-])cccc1Cl)C1CCCC1 ZINC000132422094 591708952 /nfs/dbraw/zinc/70/89/52/591708952.db2.gz YYBPAKDJTKSXCI-UHFFFAOYSA-N 0 1 239.746 3.420 20 10 BGCDMN C[N@H+](Cc1c([O-])cccc1Cl)C1CCCC1 ZINC000132422094 591708948 /nfs/dbraw/zinc/70/89/48/591708948.db2.gz YYBPAKDJTKSXCI-UHFFFAOYSA-N 0 1 239.746 3.420 20 10 BGCDMN C[N@@H+](Cc1c(O)cccc1Cl)C1CCCC1 ZINC000132422094 591708947 /nfs/dbraw/zinc/70/89/47/591708947.db2.gz YYBPAKDJTKSXCI-UHFFFAOYSA-N 0 1 239.746 3.420 20 10 BGCDMN CCCC[N@@H+](C)Cc1c([O-])cccc1Cl ZINC000132427755 591708432 /nfs/dbraw/zinc/70/84/32/591708432.db2.gz ROJOGRUHZCGJMU-UHFFFAOYSA-N 0 1 227.735 3.278 20 10 BGCDMN CCCC[N@H+](C)Cc1c([O-])cccc1Cl ZINC000132427755 591708430 /nfs/dbraw/zinc/70/84/30/591708430.db2.gz ROJOGRUHZCGJMU-UHFFFAOYSA-N 0 1 227.735 3.278 20 10 BGCDMN CCCC[N@@H+](C)Cc1c(O)cccc1Cl ZINC000132427755 591708427 /nfs/dbraw/zinc/70/84/27/591708427.db2.gz ROJOGRUHZCGJMU-UHFFFAOYSA-N 0 1 227.735 3.278 20 10 BGCDMN CCCC[N@@H+](CC)Cc1cc(C)ccc1O ZINC000132431733 591709129 /nfs/dbraw/zinc/70/91/29/591709129.db2.gz SVIPHXFORARZQU-UHFFFAOYSA-N 0 1 221.344 3.323 20 10 BGCDMN CC1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000132436445 591707879 /nfs/dbraw/zinc/70/78/79/591707879.db2.gz KHYAZQBKTZWQEL-UHFFFAOYSA-N 0 1 239.746 3.278 20 10 BGCDMN CC1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000132437995 591708828 /nfs/dbraw/zinc/70/88/28/591708828.db2.gz XJVWFNQSSAXAJO-UHFFFAOYSA-N 0 1 239.746 3.278 20 10 BGCDMN C[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000132458216 591710551 /nfs/dbraw/zinc/71/05/51/591710551.db2.gz VSCZPMGIILQBFE-SNVBAGLBSA-N 0 1 239.746 3.420 20 10 BGCDMN C[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000132458216 591710549 /nfs/dbraw/zinc/71/05/49/591710549.db2.gz VSCZPMGIILQBFE-SNVBAGLBSA-N 0 1 239.746 3.420 20 10 BGCDMN C[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000132458415 591710625 /nfs/dbraw/zinc/71/06/25/591710625.db2.gz VSCZPMGIILQBFE-JTQLQIEISA-N 0 1 239.746 3.420 20 10 BGCDMN C[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000132458415 591710623 /nfs/dbraw/zinc/71/06/23/591710623.db2.gz VSCZPMGIILQBFE-JTQLQIEISA-N 0 1 239.746 3.420 20 10 BGCDMN C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000132465964 591709778 /nfs/dbraw/zinc/70/97/78/591709778.db2.gz GKDZDKBCRRNXEL-SNVBAGLBSA-N 0 1 239.746 3.278 20 10 BGCDMN C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000132465964 591709777 /nfs/dbraw/zinc/70/97/77/591709777.db2.gz GKDZDKBCRRNXEL-SNVBAGLBSA-N 0 1 239.746 3.278 20 10 BGCDMN C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000132466102 591710453 /nfs/dbraw/zinc/71/04/53/591710453.db2.gz GKDZDKBCRRNXEL-JTQLQIEISA-N 0 1 239.746 3.278 20 10 BGCDMN C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000132466102 591710449 /nfs/dbraw/zinc/71/04/49/591710449.db2.gz GKDZDKBCRRNXEL-JTQLQIEISA-N 0 1 239.746 3.278 20 10 BGCDMN C[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000132468541 591711981 /nfs/dbraw/zinc/71/19/81/591711981.db2.gz YHSNAJCCLKCZJX-SNVBAGLBSA-N 0 1 239.746 3.278 20 10 BGCDMN C[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000132468541 591711979 /nfs/dbraw/zinc/71/19/79/591711979.db2.gz YHSNAJCCLKCZJX-SNVBAGLBSA-N 0 1 239.746 3.278 20 10 BGCDMN C[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000132468739 591711990 /nfs/dbraw/zinc/71/19/90/591711990.db2.gz YHSNAJCCLKCZJX-JTQLQIEISA-N 0 1 239.746 3.278 20 10 BGCDMN C[C@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000132468739 591711987 /nfs/dbraw/zinc/71/19/87/591711987.db2.gz YHSNAJCCLKCZJX-JTQLQIEISA-N 0 1 239.746 3.278 20 10 BGCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCCCCC1 ZINC000132471213 591711850 /nfs/dbraw/zinc/71/18/50/591711850.db2.gz VXGXLQMQYUNGGB-UHFFFAOYSA-N 0 1 239.746 3.422 20 10 BGCDMN [O-]c1cccc(Cl)c1C[NH+]1CCCCCC1 ZINC000132472199 591711720 /nfs/dbraw/zinc/71/17/20/591711720.db2.gz ZAOQZCLVUYTZBY-UHFFFAOYSA-N 0 1 239.746 3.422 20 10 BGCDMN CC[C@@H](C)[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000132509562 591715281 /nfs/dbraw/zinc/71/52/81/591715281.db2.gz CWMUNEVXFYQDDP-SECBINFHSA-N 0 1 227.735 3.276 20 10 BGCDMN CC[C@@H](C)[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000132509562 591715278 /nfs/dbraw/zinc/71/52/78/591715278.db2.gz CWMUNEVXFYQDDP-SECBINFHSA-N 0 1 227.735 3.276 20 10 BGCDMN CC[C@H](C)[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000132509756 591714639 /nfs/dbraw/zinc/71/46/39/591714639.db2.gz CWMUNEVXFYQDDP-VIFPVBQESA-N 0 1 227.735 3.276 20 10 BGCDMN CC[C@H](C)[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000132509756 591714634 /nfs/dbraw/zinc/71/46/34/591714634.db2.gz CWMUNEVXFYQDDP-VIFPVBQESA-N 0 1 227.735 3.276 20 10 BGCDMN CC(C)C[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000132524440 591716671 /nfs/dbraw/zinc/71/66/71/591716671.db2.gz GVNUAUBUFYOZNT-UHFFFAOYSA-N 0 1 227.735 3.133 20 10 BGCDMN CC(C)C[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000132524440 591716669 /nfs/dbraw/zinc/71/66/69/591716669.db2.gz GVNUAUBUFYOZNT-UHFFFAOYSA-N 0 1 227.735 3.133 20 10 BGCDMN CC(C)C[N@@H+](C)Cc1c([O-])cccc1Cl ZINC000132528221 591716920 /nfs/dbraw/zinc/71/69/20/591716920.db2.gz DNGUWIXPEUPBQW-UHFFFAOYSA-N 0 1 227.735 3.133 20 10 BGCDMN CC(C)C[N@H+](C)Cc1c([O-])cccc1Cl ZINC000132528221 591716918 /nfs/dbraw/zinc/71/69/18/591716918.db2.gz DNGUWIXPEUPBQW-UHFFFAOYSA-N 0 1 227.735 3.133 20 10 BGCDMN CC[N@@H+](Cc1cc(Cl)ccc1[O-])C(C)C ZINC000132564229 591720765 /nfs/dbraw/zinc/72/07/65/591720765.db2.gz BVZFPRRVXGRJTC-UHFFFAOYSA-N 0 1 227.735 3.276 20 10 BGCDMN CC[N@H+](Cc1cc(Cl)ccc1[O-])C(C)C ZINC000132564229 591720763 /nfs/dbraw/zinc/72/07/63/591720763.db2.gz BVZFPRRVXGRJTC-UHFFFAOYSA-N 0 1 227.735 3.276 20 10 BGCDMN CC[N@@H+](Cc1c([O-])cccc1Cl)C(C)C ZINC000132569423 591720730 /nfs/dbraw/zinc/72/07/30/591720730.db2.gz UUOQIFFLHUYSPB-UHFFFAOYSA-N 0 1 227.735 3.276 20 10 BGCDMN CC[N@H+](Cc1c([O-])cccc1Cl)C(C)C ZINC000132569423 591720727 /nfs/dbraw/zinc/72/07/27/591720727.db2.gz UUOQIFFLHUYSPB-UHFFFAOYSA-N 0 1 227.735 3.276 20 10 BGCDMN CC[C@@H]1CCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000132636959 591725785 /nfs/dbraw/zinc/72/57/85/591725785.db2.gz RKGRGHYJFRONKX-GFCCVEGCSA-N 0 1 239.746 3.420 20 10 BGCDMN CC[C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000132636959 591725783 /nfs/dbraw/zinc/72/57/83/591725783.db2.gz RKGRGHYJFRONKX-GFCCVEGCSA-N 0 1 239.746 3.420 20 10 BGCDMN CC[C@H]1CCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000132637131 591725898 /nfs/dbraw/zinc/72/58/98/591725898.db2.gz RKGRGHYJFRONKX-LBPRGKRZSA-N 0 1 239.746 3.420 20 10 BGCDMN CC[C@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000132637131 591725896 /nfs/dbraw/zinc/72/58/96/591725896.db2.gz RKGRGHYJFRONKX-LBPRGKRZSA-N 0 1 239.746 3.420 20 10 BGCDMN CC[C@@H]1CCC[N@H+]1Cc1c([O-])cccc1Cl ZINC000132639900 591725353 /nfs/dbraw/zinc/72/53/53/591725353.db2.gz ZIQKUEJOXKZLKP-SNVBAGLBSA-N 0 1 239.746 3.420 20 10 BGCDMN CC[C@@H]1CCC[N@@H+]1Cc1c([O-])cccc1Cl ZINC000132639900 591725349 /nfs/dbraw/zinc/72/53/49/591725349.db2.gz ZIQKUEJOXKZLKP-SNVBAGLBSA-N 0 1 239.746 3.420 20 10 BGCDMN CC[C@H]1CCC[N@H+]1Cc1c([O-])cccc1Cl ZINC000132640107 591725588 /nfs/dbraw/zinc/72/55/88/591725588.db2.gz ZIQKUEJOXKZLKP-JTQLQIEISA-N 0 1 239.746 3.420 20 10 BGCDMN CC[C@H]1CCC[N@@H+]1Cc1c([O-])cccc1Cl ZINC000132640107 591725584 /nfs/dbraw/zinc/72/55/84/591725584.db2.gz ZIQKUEJOXKZLKP-JTQLQIEISA-N 0 1 239.746 3.420 20 10 BGCDMN C[C@@H]1CCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000132644000 591727476 /nfs/dbraw/zinc/72/74/76/591727476.db2.gz OEGFHTHINLQJBO-SECBINFHSA-N 0 1 225.719 3.030 20 10 BGCDMN C[C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000132644000 591727472 /nfs/dbraw/zinc/72/74/72/591727472.db2.gz OEGFHTHINLQJBO-SECBINFHSA-N 0 1 225.719 3.030 20 10 BGCDMN C[C@H]1CCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000132644178 591727177 /nfs/dbraw/zinc/72/71/77/591727177.db2.gz OEGFHTHINLQJBO-VIFPVBQESA-N 0 1 225.719 3.030 20 10 BGCDMN C[C@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000132644178 591727175 /nfs/dbraw/zinc/72/71/75/591727175.db2.gz OEGFHTHINLQJBO-VIFPVBQESA-N 0 1 225.719 3.030 20 10 BGCDMN C[C@@H]1CCC[N@H+]1Cc1c([O-])cccc1Cl ZINC000132651359 176108926 /nfs/dbraw/zinc/10/89/26/176108926.db2.gz XPVUYLABCNLDOM-SECBINFHSA-N 0 1 225.719 3.030 20 10 BGCDMN C[C@@H]1CCC[N@@H+]1Cc1c([O-])cccc1Cl ZINC000132651359 176108924 /nfs/dbraw/zinc/10/89/24/176108924.db2.gz XPVUYLABCNLDOM-SECBINFHSA-N 0 1 225.719 3.030 20 10 BGCDMN C[C@H]1CCC[N@H+]1Cc1c([O-])cccc1Cl ZINC000132651555 177110029 /nfs/dbraw/zinc/11/00/29/177110029.db2.gz XPVUYLABCNLDOM-VIFPVBQESA-N 0 1 225.719 3.030 20 10 BGCDMN C[C@H]1CCC[N@@H+]1Cc1c([O-])cccc1Cl ZINC000132651555 177110027 /nfs/dbraw/zinc/11/00/27/177110027.db2.gz XPVUYLABCNLDOM-VIFPVBQESA-N 0 1 225.719 3.030 20 10 BGCDMN C[C@H]([N@@H+](C)Cc1ccccc1[O-])C(C)(C)C ZINC000132673699 591728620 /nfs/dbraw/zinc/72/86/20/591728620.db2.gz HIYVYNYPRRYEAN-NSHDSACASA-N 0 1 221.344 3.259 20 10 BGCDMN C[C@H]([N@H+](C)Cc1ccccc1[O-])C(C)(C)C ZINC000132673699 591728617 /nfs/dbraw/zinc/72/86/17/591728617.db2.gz HIYVYNYPRRYEAN-NSHDSACASA-N 0 1 221.344 3.259 20 10 BGCDMN C[C@@H]([N@@H+](C)Cc1ccccc1[O-])C(C)(C)C ZINC000132673870 591728362 /nfs/dbraw/zinc/72/83/62/591728362.db2.gz HIYVYNYPRRYEAN-LLVKDONJSA-N 0 1 221.344 3.259 20 10 BGCDMN C[C@@H]([N@H+](C)Cc1ccccc1[O-])C(C)(C)C ZINC000132673870 591728358 /nfs/dbraw/zinc/72/83/58/591728358.db2.gz HIYVYNYPRRYEAN-LLVKDONJSA-N 0 1 221.344 3.259 20 10 BGCDMN CC(C)C[N@@H+](Cc1ccccc1[O-])C(C)C ZINC000132711279 591732551 /nfs/dbraw/zinc/73/25/51/591732551.db2.gz YAJQPBPQVSOTIR-UHFFFAOYSA-N 0 1 221.344 3.259 20 10 BGCDMN CC(C)C[N@H+](Cc1ccccc1[O-])C(C)C ZINC000132711279 591732548 /nfs/dbraw/zinc/73/25/48/591732548.db2.gz YAJQPBPQVSOTIR-UHFFFAOYSA-N 0 1 221.344 3.259 20 10 BGCDMN CC(C)C[N@@H+](Cc1ccccc1O)C(C)C ZINC000132711279 591732545 /nfs/dbraw/zinc/73/25/45/591732545.db2.gz YAJQPBPQVSOTIR-UHFFFAOYSA-N 0 1 221.344 3.259 20 10 BGCDMN Cc1ccc(O)c(C[N@H+](C)CCC(C)C)c1 ZINC000132712589 591731988 /nfs/dbraw/zinc/73/19/88/591731988.db2.gz XBWAPINNRMEOCR-UHFFFAOYSA-N 0 1 221.344 3.179 20 10 BGCDMN C[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])[C@@H]1C ZINC000132715233 176101967 /nfs/dbraw/zinc/10/19/67/176101967.db2.gz GWECJIAKJJSQLJ-VXGBXAGGSA-N 0 1 219.328 3.013 20 10 BGCDMN C[C@@H]1CCC[N@H+](Cc2ccccc2[O-])[C@@H]1C ZINC000132715233 176101966 /nfs/dbraw/zinc/10/19/66/176101966.db2.gz GWECJIAKJJSQLJ-VXGBXAGGSA-N 0 1 219.328 3.013 20 10 BGCDMN C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccccc1[O-] ZINC000132715422 177101807 /nfs/dbraw/zinc/10/18/07/177101807.db2.gz GWECJIAKJJSQLJ-NWDGAFQWSA-N 0 1 219.328 3.013 20 10 BGCDMN C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccccc1[O-] ZINC000132715422 177101805 /nfs/dbraw/zinc/10/18/05/177101805.db2.gz GWECJIAKJJSQLJ-NWDGAFQWSA-N 0 1 219.328 3.013 20 10 BGCDMN CC1(C)CCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000132729100 591733589 /nfs/dbraw/zinc/73/35/89/591733589.db2.gz VPLKZWXRJCOBNM-UHFFFAOYSA-N 0 1 239.746 3.420 20 10 BGCDMN CC1(C)CCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000132729100 591733584 /nfs/dbraw/zinc/73/35/84/591733584.db2.gz VPLKZWXRJCOBNM-UHFFFAOYSA-N 0 1 239.746 3.420 20 10 BGCDMN C[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])CC1 ZINC000132734125 591734158 /nfs/dbraw/zinc/73/41/58/591734158.db2.gz QQWZEIXYFARKAZ-GFCCVEGCSA-N 0 1 219.328 3.014 20 10 BGCDMN C[C@@H]1CCC[N@H+](Cc2ccccc2[O-])CC1 ZINC000132734125 591734155 /nfs/dbraw/zinc/73/41/55/591734155.db2.gz QQWZEIXYFARKAZ-GFCCVEGCSA-N 0 1 219.328 3.014 20 10 BGCDMN C[C@H]1CCC[N@@H+](Cc2ccccc2[O-])CC1 ZINC000132734325 591733845 /nfs/dbraw/zinc/73/38/45/591733845.db2.gz QQWZEIXYFARKAZ-LBPRGKRZSA-N 0 1 219.328 3.014 20 10 BGCDMN C[C@H]1CCC[N@H+](Cc2ccccc2[O-])CC1 ZINC000132734325 591733844 /nfs/dbraw/zinc/73/38/44/591733844.db2.gz QQWZEIXYFARKAZ-LBPRGKRZSA-N 0 1 219.328 3.014 20 10 BGCDMN CC1(C)CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000132735492 384246860 /nfs/dbraw/zinc/24/68/60/384246860.db2.gz QZVIPCMXELEMBQ-UHFFFAOYSA-N 0 1 219.328 3.014 20 10 BGCDMN CC1(C)CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000132735492 384246857 /nfs/dbraw/zinc/24/68/57/384246857.db2.gz QZVIPCMXELEMBQ-UHFFFAOYSA-N 0 1 219.328 3.014 20 10 BGCDMN C[C@@H]1CCCCC[N@H+]1Cc1ccccc1[O-] ZINC000132742181 591734554 /nfs/dbraw/zinc/73/45/54/591734554.db2.gz FEQMYUAYSFAMHK-GFCCVEGCSA-N 0 1 219.328 3.157 20 10 BGCDMN C[C@@H]1CCCCC[N@@H+]1Cc1ccccc1[O-] ZINC000132742181 591734552 /nfs/dbraw/zinc/73/45/52/591734552.db2.gz FEQMYUAYSFAMHK-GFCCVEGCSA-N 0 1 219.328 3.157 20 10 BGCDMN C[C@H]1CCCCC[N@H+]1Cc1ccccc1[O-] ZINC000132742381 591734614 /nfs/dbraw/zinc/73/46/14/591734614.db2.gz FEQMYUAYSFAMHK-LBPRGKRZSA-N 0 1 219.328 3.157 20 10 BGCDMN C[C@H]1CCCCC[N@@H+]1Cc1ccccc1[O-] ZINC000132742381 591734613 /nfs/dbraw/zinc/73/46/13/591734613.db2.gz FEQMYUAYSFAMHK-LBPRGKRZSA-N 0 1 219.328 3.157 20 10 BGCDMN C[C@@H]1CC[C@H](C)[N@@H+](Cc2ccccc2[O-])C1 ZINC000132745046 177184056 /nfs/dbraw/zinc/18/40/56/177184056.db2.gz NBSKVUOHUGPLHN-NEPJUHHUSA-N 0 1 219.328 3.013 20 10 BGCDMN C[C@@H]1CC[C@H](C)[N@H+](Cc2ccccc2[O-])C1 ZINC000132745046 177184055 /nfs/dbraw/zinc/18/40/55/177184055.db2.gz NBSKVUOHUGPLHN-NEPJUHHUSA-N 0 1 219.328 3.013 20 10 BGCDMN C[C@H]1CC[C@H](C)[N@@H+](Cc2ccccc2[O-])C1 ZINC000132745185 177198147 /nfs/dbraw/zinc/19/81/47/177198147.db2.gz NBSKVUOHUGPLHN-RYUDHWBXSA-N 0 1 219.328 3.013 20 10 BGCDMN C[C@H]1CC[C@H](C)[N@H+](Cc2ccccc2[O-])C1 ZINC000132745185 177198145 /nfs/dbraw/zinc/19/81/45/177198145.db2.gz NBSKVUOHUGPLHN-RYUDHWBXSA-N 0 1 219.328 3.013 20 10 BGCDMN C[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2[O-])C1 ZINC000132745338 176197368 /nfs/dbraw/zinc/19/73/68/176197368.db2.gz NBSKVUOHUGPLHN-VXGBXAGGSA-N 0 1 219.328 3.013 20 10 BGCDMN C[C@@H]1CC[C@@H](C)[N@H+](Cc2ccccc2[O-])C1 ZINC000132745338 176197367 /nfs/dbraw/zinc/19/73/67/176197367.db2.gz NBSKVUOHUGPLHN-VXGBXAGGSA-N 0 1 219.328 3.013 20 10 BGCDMN C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1ccccc1[O-] ZINC000132745546 177184755 /nfs/dbraw/zinc/18/47/55/177184755.db2.gz NBSKVUOHUGPLHN-NWDGAFQWSA-N 0 1 219.328 3.013 20 10 BGCDMN C[C@@H]1CC[C@H](C)C[N@H+]1Cc1ccccc1[O-] ZINC000132745546 177184752 /nfs/dbraw/zinc/18/47/52/177184752.db2.gz NBSKVUOHUGPLHN-NWDGAFQWSA-N 0 1 219.328 3.013 20 10 BGCDMN C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2[O-])C[C@H]1C ZINC000132750612 636237883 /nfs/dbraw/zinc/23/78/83/636237883.db2.gz GCFMXLZOVBGGQA-AOOOYVTPSA-N 0 1 239.746 3.133 20 10 BGCDMN C[C@H]1C[N@H+](Cc2cc(Cl)ccc2[O-])C[C@H]1C ZINC000132750612 636237874 /nfs/dbraw/zinc/23/78/74/636237874.db2.gz GCFMXLZOVBGGQA-AOOOYVTPSA-N 0 1 239.746 3.133 20 10 BGCDMN C[C@H]1C[NH+](Cc2cc(Cl)ccc2[O-])C[C@@H]1C ZINC000132750831 591735158 /nfs/dbraw/zinc/73/51/58/591735158.db2.gz GCFMXLZOVBGGQA-UWVGGRQHSA-N 0 1 239.746 3.133 20 10 BGCDMN C[C@@H]1C[NH+](Cc2cc(Cl)ccc2[O-])C[C@H]1C ZINC000132751046 591735287 /nfs/dbraw/zinc/73/52/87/591735287.db2.gz GCFMXLZOVBGGQA-NXEZZACHSA-N 0 1 239.746 3.133 20 10 BGCDMN C[C@H]1C[N@@H+](Cc2c([O-])cccc2Cl)C[C@H]1C ZINC000132755143 591735187 /nfs/dbraw/zinc/73/51/87/591735187.db2.gz DHPZQJOYDSYXOU-AOOOYVTPSA-N 0 1 239.746 3.133 20 10 BGCDMN C[C@H]1C[N@H+](Cc2c([O-])cccc2Cl)C[C@H]1C ZINC000132755143 591735185 /nfs/dbraw/zinc/73/51/85/591735185.db2.gz DHPZQJOYDSYXOU-AOOOYVTPSA-N 0 1 239.746 3.133 20 10 BGCDMN C[C@H]1C[NH+](Cc2c([O-])cccc2Cl)C[C@@H]1C ZINC000132755338 591735167 /nfs/dbraw/zinc/73/51/67/591735167.db2.gz DHPZQJOYDSYXOU-UWVGGRQHSA-N 0 1 239.746 3.133 20 10 BGCDMN C[C@@H]1C[NH+](Cc2c([O-])cccc2Cl)C[C@H]1C ZINC000132755520 591735237 /nfs/dbraw/zinc/73/52/37/591735237.db2.gz DHPZQJOYDSYXOU-NXEZZACHSA-N 0 1 239.746 3.133 20 10 BGCDMN CC[N@@H+](Cc1c([O-])cccc1Cl)C1CC1 ZINC000133321139 345369611 /nfs/dbraw/zinc/36/96/11/345369611.db2.gz JHGADFHJMCYOTM-UHFFFAOYSA-N 0 1 225.719 3.030 20 10 BGCDMN CC[N@@H+](Cc1c(O)cccc1Cl)C1CC1 ZINC000133321139 345369599 /nfs/dbraw/zinc/36/95/99/345369599.db2.gz JHGADFHJMCYOTM-UHFFFAOYSA-N 0 1 225.719 3.030 20 10 BGCDMN CC1CCC([N@@H+](C)Cc2ccccc2O)CC1 ZINC000133499100 591806311 /nfs/dbraw/zinc/80/63/11/591806311.db2.gz BEAAMRMVOZBVTM-UHFFFAOYSA-N 0 1 233.355 3.403 20 10 BGCDMN COc1ccc(O)c(C[N@H+]2CCC[C@H](C)[C@H]2C)c1 ZINC000133715010 591850413 /nfs/dbraw/zinc/85/04/13/591850413.db2.gz QXRMLYCESBXIAT-NWDGAFQWSA-N 0 1 249.354 3.021 20 10 BGCDMN C[C@H](NCc1ccc2c(c1)CCO2)c1ccoc1 ZINC000133968489 591872725 /nfs/dbraw/zinc/87/27/25/591872725.db2.gz VDIUICGXLSYXBE-NSHDSACASA-N 0 1 243.306 3.065 20 10 BGCDMN C[C@@H](NCc1ccc2c(c1)CCO2)c1ccoc1 ZINC000133968684 591872939 /nfs/dbraw/zinc/87/29/39/591872939.db2.gz VDIUICGXLSYXBE-LLVKDONJSA-N 0 1 243.306 3.065 20 10 BGCDMN CC(C)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000134901986 591957577 /nfs/dbraw/zinc/95/75/77/591957577.db2.gz IIRBMUFRPZUHCG-VIFPVBQESA-N 0 1 227.735 3.352 20 10 BGCDMN CC(C)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000134902006 591957867 /nfs/dbraw/zinc/95/78/67/591957867.db2.gz IIRBMUFRPZUHCG-SECBINFHSA-N 0 1 227.735 3.352 20 10 BGCDMN CCCC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000134902620 591958345 /nfs/dbraw/zinc/95/83/45/591958345.db2.gz PJMHUNMLIUXZJM-VIFPVBQESA-N 0 1 227.735 3.496 20 10 BGCDMN CCCC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000134902644 591958224 /nfs/dbraw/zinc/95/82/24/591958224.db2.gz PJMHUNMLIUXZJM-SECBINFHSA-N 0 1 227.735 3.496 20 10 BGCDMN CC[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000134906529 388480547 /nfs/dbraw/zinc/48/05/47/388480547.db2.gz LBQBXSRTRZHWAF-BDAKNGLRSA-N 0 1 227.735 3.495 20 10 BGCDMN CC[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000134906551 171345870 /nfs/dbraw/zinc/34/58/70/171345870.db2.gz LBQBXSRTRZHWAF-IUCAKERBSA-N 0 1 227.735 3.495 20 10 BGCDMN CC[C@@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000134906567 388480317 /nfs/dbraw/zinc/48/03/17/388480317.db2.gz LBQBXSRTRZHWAF-RKDXNWHRSA-N 0 1 227.735 3.495 20 10 BGCDMN CC[C@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000134906587 171348088 /nfs/dbraw/zinc/34/80/88/171348088.db2.gz LBQBXSRTRZHWAF-DTWKUNHWSA-N 0 1 227.735 3.495 20 10 BGCDMN CSCC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000134907759 584955214 /nfs/dbraw/zinc/95/52/14/584955214.db2.gz UIHJLNHIMYTBEZ-QMMMGPOBSA-N 0 1 245.775 3.059 20 10 BGCDMN CSCC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000134907779 584955164 /nfs/dbraw/zinc/95/51/64/584955164.db2.gz UIHJLNHIMYTBEZ-MRVPVSSYSA-N 0 1 245.775 3.059 20 10 BGCDMN Cc1cnc([C@@H](C)NCc2ccccc2O)s1 ZINC000134910468 387811349 /nfs/dbraw/zinc/81/13/49/387811349.db2.gz ZFEDBDXJAUZPQJ-SNVBAGLBSA-N 0 1 248.351 3.008 20 10 BGCDMN Cc1cnc([C@H](C)NCc2ccccc2O)s1 ZINC000134910491 387812753 /nfs/dbraw/zinc/81/27/53/387812753.db2.gz ZFEDBDXJAUZPQJ-JTQLQIEISA-N 0 1 248.351 3.008 20 10 BGCDMN C[C@H]([NH2+][C@@H](C)C1CC1)c1cc(Cl)ccc1[O-] ZINC000134911419 384397362 /nfs/dbraw/zinc/39/73/62/384397362.db2.gz YSZXLIGCZVRYPA-IUCAKERBSA-N 0 1 239.746 3.495 20 10 BGCDMN C[C@@H]([NH2+][C@@H](C)C1CC1)c1cc(Cl)ccc1[O-] ZINC000134911441 384398388 /nfs/dbraw/zinc/39/83/88/384398388.db2.gz YSZXLIGCZVRYPA-DTWKUNHWSA-N 0 1 239.746 3.495 20 10 BGCDMN C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])C1CC1 ZINC000134911459 384398061 /nfs/dbraw/zinc/39/80/61/384398061.db2.gz YSZXLIGCZVRYPA-BDAKNGLRSA-N 0 1 239.746 3.495 20 10 BGCDMN C[C@@H]([NH2+][C@H](C)C1CC1)c1cc(Cl)ccc1[O-] ZINC000134911478 384397752 /nfs/dbraw/zinc/39/77/52/384397752.db2.gz YSZXLIGCZVRYPA-RKDXNWHRSA-N 0 1 239.746 3.495 20 10 BGCDMN C[C@H]([NH2+]CC1CC1)c1cc(Cl)ccc1[O-] ZINC000134911994 388481917 /nfs/dbraw/zinc/48/19/17/388481917.db2.gz IUEZQMIGAUYEIK-QMMMGPOBSA-N 0 1 225.719 3.106 20 10 BGCDMN C[C@@H]([NH2+]CC1CC1)c1cc(Cl)ccc1[O-] ZINC000134912015 388481372 /nfs/dbraw/zinc/48/13/72/388481372.db2.gz IUEZQMIGAUYEIK-MRVPVSSYSA-N 0 1 225.719 3.106 20 10 BGCDMN C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1cc(Cl)ccc1[O-] ZINC000134915271 591959237 /nfs/dbraw/zinc/95/92/37/591959237.db2.gz PSNLRVGJFYCGST-KXUCPTDWSA-N 0 1 239.746 3.352 20 10 BGCDMN C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1cc(Cl)ccc1[O-] ZINC000134915292 591959309 /nfs/dbraw/zinc/95/93/09/591959309.db2.gz PSNLRVGJFYCGST-LPEHRKFASA-N 0 1 239.746 3.352 20 10 BGCDMN C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1cc(Cl)ccc1[O-] ZINC000134915312 591959117 /nfs/dbraw/zinc/95/91/17/591959117.db2.gz PSNLRVGJFYCGST-UTLUCORTSA-N 0 1 239.746 3.352 20 10 BGCDMN C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1cc(Cl)ccc1[O-] ZINC000134915330 591958913 /nfs/dbraw/zinc/95/89/13/591958913.db2.gz PSNLRVGJFYCGST-GUBZILKMSA-N 0 1 239.746 3.352 20 10 BGCDMN C[C@H]([NH2+]CC1CCC1)c1cc(Cl)ccc1[O-] ZINC000134915676 591958669 /nfs/dbraw/zinc/95/86/69/591958669.db2.gz YAOHINBMXPNCGF-VIFPVBQESA-N 0 1 239.746 3.496 20 10 BGCDMN C[C@@H]([NH2+]CC1CCC1)c1cc(Cl)ccc1[O-] ZINC000134915697 591958696 /nfs/dbraw/zinc/95/86/96/591958696.db2.gz YAOHINBMXPNCGF-SECBINFHSA-N 0 1 239.746 3.496 20 10 BGCDMN C[C@H]([NH2+]C1CC=CC1)c1cc(Cl)ccc1[O-] ZINC000134929534 591962463 /nfs/dbraw/zinc/96/24/63/591962463.db2.gz VVEIQXVYZOIPBO-VIFPVBQESA-N 0 1 237.730 3.415 20 10 BGCDMN C[C@@H]([NH2+]C1CC=CC1)c1cc(Cl)ccc1[O-] ZINC000134929555 591962022 /nfs/dbraw/zinc/96/20/22/591962022.db2.gz VVEIQXVYZOIPBO-SECBINFHSA-N 0 1 237.730 3.415 20 10 BGCDMN C[C@H]([NH2+]CCC1CC1)c1cc(Cl)ccc1[O-] ZINC000134933942 591962262 /nfs/dbraw/zinc/96/22/62/591962262.db2.gz NQSLZVPAYZBGAM-VIFPVBQESA-N 0 1 239.746 3.496 20 10 BGCDMN C[C@@H]([NH2+]CCC1CC1)c1cc(Cl)ccc1[O-] ZINC000134933959 591962107 /nfs/dbraw/zinc/96/21/07/591962107.db2.gz NQSLZVPAYZBGAM-SECBINFHSA-N 0 1 239.746 3.496 20 10 BGCDMN C[C@H]([NH2+]C1CC(C)C1)c1cc(Cl)ccc1[O-] ZINC000134934223 591962006 /nfs/dbraw/zinc/96/20/06/591962006.db2.gz UAZTXNZIFVBQDN-YUCVTWSNSA-N 0 1 239.746 3.495 20 10 BGCDMN C[C@@H]([NH2+]C1CC(C)C1)c1cc(Cl)ccc1[O-] ZINC000134934244 591961809 /nfs/dbraw/zinc/96/18/09/591961809.db2.gz UAZTXNZIFVBQDN-INWMGODYSA-N 0 1 239.746 3.495 20 10 BGCDMN C[C@H]([NH2+]CCCF)c1cc(Cl)ccc1[O-] ZINC000134935625 591962244 /nfs/dbraw/zinc/96/22/44/591962244.db2.gz GENSBNCTDBKSSG-QMMMGPOBSA-N 0 1 231.698 3.056 20 10 BGCDMN C[C@@H]([NH2+]CCCF)c1cc(Cl)ccc1[O-] ZINC000134935645 591962119 /nfs/dbraw/zinc/96/21/19/591962119.db2.gz GENSBNCTDBKSSG-MRVPVSSYSA-N 0 1 231.698 3.056 20 10 BGCDMN C[C@@H](C[NH2+]Cc1cc(Cl)ccc1[O-])C1CC1 ZINC000136403160 592117434 /nfs/dbraw/zinc/11/74/34/592117434.db2.gz GWIFZMGXHUDQHK-VIFPVBQESA-N 0 1 239.746 3.181 20 10 BGCDMN C[C@H](C[NH2+]Cc1cc(Cl)ccc1[O-])C1CC1 ZINC000136403204 592116879 /nfs/dbraw/zinc/11/68/79/592116879.db2.gz GWIFZMGXHUDQHK-SECBINFHSA-N 0 1 239.746 3.181 20 10 BGCDMN Oc1ccccc1C[N@H+]1CCc2ccsc2C1 ZINC000138548265 344324951 /nfs/dbraw/zinc/32/49/51/344324951.db2.gz DPTIQAPUMWZAPA-UHFFFAOYSA-N 0 1 245.347 3.012 20 10 BGCDMN C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C1CC1 ZINC000153775251 385277860 /nfs/dbraw/zinc/27/78/60/385277860.db2.gz XNLFOVPLNFXEAB-UHFFFAOYSA-N 0 1 246.137 3.293 20 10 BGCDMN C[C@@H](C1CC1)[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000158058400 711831541 /nfs/dbraw/zinc/83/15/41/711831541.db2.gz CAGLTCCQFAYSPL-VIFPVBQESA-N 0 1 239.746 3.276 20 10 BGCDMN C[C@@H](C1CC1)[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000158058400 711831539 /nfs/dbraw/zinc/83/15/39/711831539.db2.gz CAGLTCCQFAYSPL-VIFPVBQESA-N 0 1 239.746 3.276 20 10 BGCDMN C[C@H](C1CC1)[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000158058543 711831656 /nfs/dbraw/zinc/83/16/56/711831656.db2.gz CAGLTCCQFAYSPL-SECBINFHSA-N 0 1 239.746 3.276 20 10 BGCDMN C[C@H](C1CC1)[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000158058543 711831655 /nfs/dbraw/zinc/83/16/55/711831655.db2.gz CAGLTCCQFAYSPL-SECBINFHSA-N 0 1 239.746 3.276 20 10 BGCDMN CC[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000159194975 712723014 /nfs/dbraw/zinc/72/30/14/712723014.db2.gz CZJSFTHHJGVNIN-SNVBAGLBSA-N 0 1 239.746 3.278 20 10 BGCDMN CC[C@@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000159194975 712723013 /nfs/dbraw/zinc/72/30/13/712723013.db2.gz CZJSFTHHJGVNIN-SNVBAGLBSA-N 0 1 239.746 3.278 20 10 BGCDMN CC[C@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000159195145 712722980 /nfs/dbraw/zinc/72/29/80/712722980.db2.gz CZJSFTHHJGVNIN-JTQLQIEISA-N 0 1 239.746 3.278 20 10 BGCDMN CC[C@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000159195145 712722979 /nfs/dbraw/zinc/72/29/79/712722979.db2.gz CZJSFTHHJGVNIN-JTQLQIEISA-N 0 1 239.746 3.278 20 10 BGCDMN CC1([NH2+]Cc2cc(Cl)ccc2[O-])CCC1 ZINC000160012448 711805487 /nfs/dbraw/zinc/80/54/87/711805487.db2.gz XMFCJWCEMHNKIN-UHFFFAOYSA-N 0 1 225.719 3.078 20 10 BGCDMN C[C@@H]1C[C@H](C)C[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000160197438 711448226 /nfs/dbraw/zinc/44/82/26/711448226.db2.gz HGYOPABEJDKTNP-PHIMTYICSA-N 0 1 237.318 3.009 20 10 BGCDMN C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000161295445 711811402 /nfs/dbraw/zinc/81/14/02/711811402.db2.gz QSWPWRPYVUZXTD-ZJUUUORDSA-N 0 1 239.746 3.276 20 10 BGCDMN C[C@@H]1C[C@H](C)[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000161295445 711811400 /nfs/dbraw/zinc/81/14/00/711811400.db2.gz QSWPWRPYVUZXTD-ZJUUUORDSA-N 0 1 239.746 3.276 20 10 BGCDMN C[C@H]1C[C@H](C)[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000161295576 711589873 /nfs/dbraw/zinc/58/98/73/711589873.db2.gz QSWPWRPYVUZXTD-UWVGGRQHSA-N 0 1 239.746 3.276 20 10 BGCDMN C[C@H]1C[C@H](C)[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000161295576 711589872 /nfs/dbraw/zinc/58/98/72/711589872.db2.gz QSWPWRPYVUZXTD-UWVGGRQHSA-N 0 1 239.746 3.276 20 10 BGCDMN C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000161295696 711811439 /nfs/dbraw/zinc/81/14/39/711811439.db2.gz QSWPWRPYVUZXTD-NXEZZACHSA-N 0 1 239.746 3.276 20 10 BGCDMN C[C@@H]1C[C@@H](C)[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000161295696 711811437 /nfs/dbraw/zinc/81/14/37/711811437.db2.gz QSWPWRPYVUZXTD-NXEZZACHSA-N 0 1 239.746 3.276 20 10 BGCDMN C[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000161295830 711811491 /nfs/dbraw/zinc/81/14/91/711811491.db2.gz QSWPWRPYVUZXTD-VHSXEESVSA-N 0 1 239.746 3.276 20 10 BGCDMN C[C@@H]1C[C@H](C)C[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000161295830 711811490 /nfs/dbraw/zinc/81/14/90/711811490.db2.gz QSWPWRPYVUZXTD-VHSXEESVSA-N 0 1 239.746 3.276 20 10 BGCDMN C[C@@H]1C[C@H](C)[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000161296882 711811261 /nfs/dbraw/zinc/81/12/61/711811261.db2.gz QQMULLMEWYOSGM-ZJUUUORDSA-N 0 1 239.746 3.276 20 10 BGCDMN C[C@@H]1C[C@H](C)[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000161296882 711811260 /nfs/dbraw/zinc/81/12/60/711811260.db2.gz QQMULLMEWYOSGM-ZJUUUORDSA-N 0 1 239.746 3.276 20 10 BGCDMN C[C@H]1C[C@H](C)[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000161296982 711811425 /nfs/dbraw/zinc/81/14/25/711811425.db2.gz QQMULLMEWYOSGM-UWVGGRQHSA-N 0 1 239.746 3.276 20 10 BGCDMN C[C@H]1C[C@H](C)[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000161296982 711811424 /nfs/dbraw/zinc/81/14/24/711811424.db2.gz QQMULLMEWYOSGM-UWVGGRQHSA-N 0 1 239.746 3.276 20 10 BGCDMN C[C@@H]1C[C@@H](C)[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000161297096 711811275 /nfs/dbraw/zinc/81/12/75/711811275.db2.gz QQMULLMEWYOSGM-NXEZZACHSA-N 0 1 239.746 3.276 20 10 BGCDMN C[C@@H]1C[C@@H](C)[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000161297096 711811274 /nfs/dbraw/zinc/81/12/74/711811274.db2.gz QQMULLMEWYOSGM-NXEZZACHSA-N 0 1 239.746 3.276 20 10 BGCDMN C[C@@H]1C[C@H](C)C[N@@H+]1Cc1c([O-])cccc1Cl ZINC000161297171 711811541 /nfs/dbraw/zinc/81/15/41/711811541.db2.gz QQMULLMEWYOSGM-VHSXEESVSA-N 0 1 239.746 3.276 20 10 BGCDMN C[C@@H]1C[C@H](C)C[N@H+]1Cc1c([O-])cccc1Cl ZINC000161297171 711811540 /nfs/dbraw/zinc/81/15/40/711811540.db2.gz QQMULLMEWYOSGM-VHSXEESVSA-N 0 1 239.746 3.276 20 10 BGCDMN Cc1cc(O)c(C[N@@H+](C)Cc2ccco2)cc1C ZINC000162152412 178194563 /nfs/dbraw/zinc/19/45/63/178194563.db2.gz OSDHFGVYZAQEFY-UHFFFAOYSA-N 0 1 245.322 3.234 20 10 BGCDMN CCC[N@@H+](CC)Cc1cccc(Cl)c1[O-] ZINC000162804551 711724796 /nfs/dbraw/zinc/72/47/96/711724796.db2.gz SLTAFIVVUPSTMF-UHFFFAOYSA-N 0 1 227.735 3.278 20 10 BGCDMN C[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000162805074 711680458 /nfs/dbraw/zinc/68/04/58/711680458.db2.gz YSZSUYHWVZMGKQ-JTQLQIEISA-N 0 1 239.746 3.278 20 10 BGCDMN CCCC[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000162805818 634464778 /nfs/dbraw/zinc/46/47/78/634464778.db2.gz FPSIUVDCRMSZEB-UHFFFAOYSA-N 0 1 227.735 3.278 20 10 BGCDMN C[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000162806640 711680287 /nfs/dbraw/zinc/68/02/87/711680287.db2.gz IFFARFWHTLIQGN-SNVBAGLBSA-N 0 1 239.746 3.420 20 10 BGCDMN C[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000162806746 711680345 /nfs/dbraw/zinc/68/03/45/711680345.db2.gz IFFARFWHTLIQGN-JTQLQIEISA-N 0 1 239.746 3.420 20 10 BGCDMN C[N@@H+](Cc1cccc(Cl)c1[O-])C1CCCC1 ZINC000162807400 384688090 /nfs/dbraw/zinc/68/80/90/384688090.db2.gz GEYDSZDDQYBJMH-UHFFFAOYSA-N 0 1 239.746 3.420 20 10 BGCDMN CC(C)C[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000162809286 361364916 /nfs/dbraw/zinc/36/49/16/361364916.db2.gz DQWIVXAFNMRDPH-UHFFFAOYSA-N 0 1 227.735 3.133 20 10 BGCDMN CC[C@@H](C)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000162812033 634554110 /nfs/dbraw/zinc/55/41/10/634554110.db2.gz IVGQJESNWSQBOA-SECBINFHSA-N 0 1 227.735 3.276 20 10 BGCDMN CC[C@H](C)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000162812164 635434422 /nfs/dbraw/zinc/43/44/22/635434422.db2.gz IVGQJESNWSQBOA-VIFPVBQESA-N 0 1 227.735 3.276 20 10 BGCDMN CC[C@H]1CCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000162816175 634566566 /nfs/dbraw/zinc/56/65/66/634566566.db2.gz NMXXVJPYDCOCGX-NSHDSACASA-N 0 1 239.746 3.420 20 10 BGCDMN CC1(C)CCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000162817790 634571941 /nfs/dbraw/zinc/57/19/41/634571941.db2.gz ZLNJENBCYWMZQY-UHFFFAOYSA-N 0 1 239.746 3.420 20 10 BGCDMN C[C@@H]1CCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000162819544 176110697 /nfs/dbraw/zinc/11/06/97/176110697.db2.gz LUPBBVDMSOLEJY-SECBINFHSA-N 0 1 225.719 3.030 20 10 BGCDMN C[C@H]1CCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000162819670 177110646 /nfs/dbraw/zinc/11/06/46/177110646.db2.gz LUPBBVDMSOLEJY-VIFPVBQESA-N 0 1 225.719 3.030 20 10 BGCDMN CC1(C)CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000162819959 634576199 /nfs/dbraw/zinc/57/61/99/634576199.db2.gz PUDHMROHVMSUCX-UHFFFAOYSA-N 0 1 239.746 3.278 20 10 BGCDMN C[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])C[C@H]1C ZINC000162820510 634578635 /nfs/dbraw/zinc/57/86/35/634578635.db2.gz SZXNOIPXGLYHRT-AOOOYVTPSA-N 0 1 239.746 3.133 20 10 BGCDMN CCCC[N@@H+](CC)Cc1cccc(F)c1[O-] ZINC000165408988 633091326 /nfs/dbraw/zinc/09/13/26/633091326.db2.gz DWPPCWLCMJQJPD-UHFFFAOYSA-N 0 1 225.307 3.153 20 10 BGCDMN CC(C)[C@@H](C)[N@@H+](C)Cc1cccc(F)c1[O-] ZINC000165414355 167367907 /nfs/dbraw/zinc/36/79/07/167367907.db2.gz ZBBMKTMKMWUGGJ-SNVBAGLBSA-N 0 1 225.307 3.008 20 10 BGCDMN CC(C)[C@H](C)[N@@H+](C)Cc1cccc(F)c1[O-] ZINC000165414498 187303090 /nfs/dbraw/zinc/30/30/90/187303090.db2.gz ZBBMKTMKMWUGGJ-JTQLQIEISA-N 0 1 225.307 3.008 20 10 BGCDMN C[N@@H+](Cc1cccc(F)c1[O-])CC(C)(C)C ZINC000165417027 385123431 /nfs/dbraw/zinc/12/34/31/385123431.db2.gz YRXQPDXUMXXGBJ-UHFFFAOYSA-N 0 1 225.307 3.009 20 10 BGCDMN CCC1(C[NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000165459013 640579243 /nfs/dbraw/zinc/57/92/43/640579243.db2.gz LYKLQBLLRNGQHO-UHFFFAOYSA-N 0 1 239.746 3.325 20 10 BGCDMN CCC1(C[NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000165464664 640581041 /nfs/dbraw/zinc/58/10/41/640581041.db2.gz SBTGSSSHAUALEL-UHFFFAOYSA-N 0 1 239.746 3.325 20 10 BGCDMN CC1(C[NH2+]Cc2cc(Cl)ccc2[O-])CCC1 ZINC000165477353 640580609 /nfs/dbraw/zinc/58/06/09/640580609.db2.gz VETDSRVSBJCXGH-UHFFFAOYSA-N 0 1 239.746 3.325 20 10 BGCDMN CC1(C[NH2+]Cc2c([O-])cccc2Cl)CCC1 ZINC000165482629 640580018 /nfs/dbraw/zinc/58/00/18/640580018.db2.gz MVYNJOWDCKCLAY-UHFFFAOYSA-N 0 1 239.746 3.325 20 10 BGCDMN C[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])C1CC1 ZINC000168746519 633145921 /nfs/dbraw/zinc/14/59/21/633145921.db2.gz SSYHHXHGLOUMPR-UWVGGRQHSA-N 0 1 237.318 3.228 20 10 BGCDMN C[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])C1CC1 ZINC000168746617 633146039 /nfs/dbraw/zinc/14/60/39/633146039.db2.gz SSYHHXHGLOUMPR-ZJUUUORDSA-N 0 1 237.318 3.228 20 10 BGCDMN C[C@H]([NH2+][C@@H](C)C1CCC1)c1cc(F)ccc1[O-] ZINC000168858898 633149417 /nfs/dbraw/zinc/14/94/17/633149417.db2.gz VYCPPKMAPABNKS-UWVGGRQHSA-N 0 1 237.318 3.371 20 10 BGCDMN C[C@@H]([NH2+][C@@H](C)C1CCC1)c1cc(F)ccc1[O-] ZINC000168858969 633150568 /nfs/dbraw/zinc/15/05/68/633150568.db2.gz VYCPPKMAPABNKS-VHSXEESVSA-N 0 1 237.318 3.371 20 10 BGCDMN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])C1CCC1 ZINC000168859044 633149772 /nfs/dbraw/zinc/14/97/72/633149772.db2.gz VYCPPKMAPABNKS-ZJUUUORDSA-N 0 1 237.318 3.371 20 10 BGCDMN C[C@@H]([NH2+][C@H](C)C1CCC1)c1cc(F)ccc1[O-] ZINC000168859146 633150586 /nfs/dbraw/zinc/15/05/86/633150586.db2.gz VYCPPKMAPABNKS-NXEZZACHSA-N 0 1 237.318 3.371 20 10 BGCDMN CCC[N@@H+](CC)Cc1c([O-])cccc1Cl ZINC000168989864 632516190 /nfs/dbraw/zinc/51/61/90/632516190.db2.gz YNCWQQCTTZNBLK-UHFFFAOYSA-N 0 1 227.735 3.278 20 10 BGCDMN CCC[N@H+](CC)Cc1c([O-])cccc1Cl ZINC000168989864 632516180 /nfs/dbraw/zinc/51/61/80/632516180.db2.gz YNCWQQCTTZNBLK-UHFFFAOYSA-N 0 1 227.735 3.278 20 10 BGCDMN CCC[N@@H+](CC)Cc1cc(Cl)ccc1[O-] ZINC000168990269 633153592 /nfs/dbraw/zinc/15/35/92/633153592.db2.gz ICZIKOYAKYHHDP-UHFFFAOYSA-N 0 1 227.735 3.278 20 10 BGCDMN CCC[N@H+](CC)Cc1cc(Cl)ccc1[O-] ZINC000168990269 633153587 /nfs/dbraw/zinc/15/35/87/633153587.db2.gz ICZIKOYAKYHHDP-UHFFFAOYSA-N 0 1 227.735 3.278 20 10 BGCDMN CCC[N@H+](Cc1ccccc1[O-])CC1CCC1 ZINC000174372492 641274685 /nfs/dbraw/zinc/27/46/85/641274685.db2.gz NSDJYTUMEJZIPW-UHFFFAOYSA-N 0 1 233.355 3.404 20 10 BGCDMN CCC[N@@H+](Cc1ccccc1[O-])CC1CCC1 ZINC000174372492 641274683 /nfs/dbraw/zinc/27/46/83/641274683.db2.gz NSDJYTUMEJZIPW-UHFFFAOYSA-N 0 1 233.355 3.404 20 10 BGCDMN CC(C)[N@@H+](Cc1cc(Cl)ccc1[O-])C1CC1 ZINC000179484923 632721940 /nfs/dbraw/zinc/72/19/40/632721940.db2.gz DLPWVVACHLBCMR-UHFFFAOYSA-N 0 1 239.746 3.418 20 10 BGCDMN CC(C)[N@H+](Cc1cc(Cl)ccc1[O-])C1CC1 ZINC000179484923 632721935 /nfs/dbraw/zinc/72/19/35/632721935.db2.gz DLPWVVACHLBCMR-UHFFFAOYSA-N 0 1 239.746 3.418 20 10 BGCDMN CC(C)[N@@H+](Cc1cc(Cl)ccc1O)C1CC1 ZINC000179484923 632721932 /nfs/dbraw/zinc/72/19/32/632721932.db2.gz DLPWVVACHLBCMR-UHFFFAOYSA-N 0 1 239.746 3.418 20 10 BGCDMN CC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(C)C ZINC000179564345 642725448 /nfs/dbraw/zinc/72/54/48/642725448.db2.gz QMCYIQROJSGSDB-LBPRGKRZSA-N 0 1 221.344 3.259 20 10 BGCDMN CC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(C)C ZINC000179564345 642725443 /nfs/dbraw/zinc/72/54/43/642725443.db2.gz QMCYIQROJSGSDB-LBPRGKRZSA-N 0 1 221.344 3.259 20 10 BGCDMN CC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(C)C ZINC000179564359 642726261 /nfs/dbraw/zinc/72/62/61/642726261.db2.gz QMCYIQROJSGSDB-GFCCVEGCSA-N 0 1 221.344 3.259 20 10 BGCDMN CC[N@H+](Cc1ccccc1[O-])[C@H](C)C(C)C ZINC000179564359 642726258 /nfs/dbraw/zinc/72/62/58/642726258.db2.gz QMCYIQROJSGSDB-GFCCVEGCSA-N 0 1 221.344 3.259 20 10 BGCDMN C[N@@H+](Cc1ccccc1[O-])C(C1CC1)C1CC1 ZINC000179565439 385474589 /nfs/dbraw/zinc/47/45/89/385474589.db2.gz KZBAHDKLZAOYDI-UHFFFAOYSA-N 0 1 231.339 3.013 20 10 BGCDMN C[N@H+](Cc1ccccc1[O-])C(C1CC1)C1CC1 ZINC000179565439 385474585 /nfs/dbraw/zinc/47/45/85/385474585.db2.gz KZBAHDKLZAOYDI-UHFFFAOYSA-N 0 1 231.339 3.013 20 10 BGCDMN Oc1ccccc1C[N@H+]1CCC2(CCCC2)C1 ZINC000179573773 134321925 /nfs/dbraw/zinc/32/19/25/134321925.db2.gz JIHLVKZYDHLDSI-UHFFFAOYSA-N 0 1 231.339 3.158 20 10 BGCDMN CC(C)[C@@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000179575983 642725392 /nfs/dbraw/zinc/72/53/92/642725392.db2.gz BXNGHWLJRZNGGH-AWEZNQCLSA-N 0 1 233.355 3.403 20 10 BGCDMN CC(C)[C@@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000179575983 642725390 /nfs/dbraw/zinc/72/53/90/642725390.db2.gz BXNGHWLJRZNGGH-AWEZNQCLSA-N 0 1 233.355 3.403 20 10 BGCDMN CC(C)[C@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000179575997 642725874 /nfs/dbraw/zinc/72/58/74/642725874.db2.gz BXNGHWLJRZNGGH-CQSZACIVSA-N 0 1 233.355 3.403 20 10 BGCDMN CC(C)[C@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000179575997 642725861 /nfs/dbraw/zinc/72/58/61/642725861.db2.gz BXNGHWLJRZNGGH-CQSZACIVSA-N 0 1 233.355 3.403 20 10 BGCDMN C[C@H]([N@@H+](C)Cc1ccccc1[O-])C1(C)CC1 ZINC000179585603 385476635 /nfs/dbraw/zinc/47/66/35/385476635.db2.gz MAIRQPKILLTRBS-NSHDSACASA-N 0 1 219.328 3.013 20 10 BGCDMN C[C@H]([N@H+](C)Cc1ccccc1[O-])C1(C)CC1 ZINC000179585603 385476631 /nfs/dbraw/zinc/47/66/31/385476631.db2.gz MAIRQPKILLTRBS-NSHDSACASA-N 0 1 219.328 3.013 20 10 BGCDMN C[C@@H]([N@@H+](C)Cc1ccccc1[O-])C1(C)CC1 ZINC000179585610 385476450 /nfs/dbraw/zinc/47/64/50/385476450.db2.gz MAIRQPKILLTRBS-LLVKDONJSA-N 0 1 219.328 3.013 20 10 BGCDMN C[C@@H]([N@H+](C)Cc1ccccc1[O-])C1(C)CC1 ZINC000179585610 385476445 /nfs/dbraw/zinc/47/64/45/385476445.db2.gz MAIRQPKILLTRBS-LLVKDONJSA-N 0 1 219.328 3.013 20 10 BGCDMN CC[N@@H+](Cc1cccc(Cl)c1[O-])C1CC1 ZINC000179684038 346992622 /nfs/dbraw/zinc/99/26/22/346992622.db2.gz BGRXDFTZGBLRDP-UHFFFAOYSA-N 0 1 225.719 3.030 20 10 BGCDMN CC(C)[N@@H+](Cc1cccc(Cl)c1[O-])C1CC1 ZINC000179725751 385487384 /nfs/dbraw/zinc/48/73/84/385487384.db2.gz IMWFUPHVJZMEDD-UHFFFAOYSA-N 0 1 239.746 3.418 20 10 BGCDMN Cc1ccc(CN(C)Cc2cc(F)ccc2O)o1 ZINC000179884293 385497552 /nfs/dbraw/zinc/49/75/52/385497552.db2.gz OBQLFSMLJJTMIO-UHFFFAOYSA-N 0 1 249.285 3.065 20 10 BGCDMN Cc1cnc(CN[C@@H](C)c2ccccc2O)s1 ZINC000179886419 633874735 /nfs/dbraw/zinc/87/47/35/633874735.db2.gz SFRNJWLGKYRBDY-JTQLQIEISA-N 0 1 248.351 3.008 20 10 BGCDMN Cc1cnc(CN[C@H](C)c2ccccc2O)s1 ZINC000179886439 633874393 /nfs/dbraw/zinc/87/43/93/633874393.db2.gz SFRNJWLGKYRBDY-SNVBAGLBSA-N 0 1 248.351 3.008 20 10 BGCDMN Cc1occc1C[N@H+](C)Cc1cc(F)ccc1O ZINC000179978653 385502443 /nfs/dbraw/zinc/50/24/43/385502443.db2.gz OCINGGXGVUJDFO-UHFFFAOYSA-N 0 1 249.285 3.065 20 10 BGCDMN CCC[N@@H+](Cc1cc(Cl)ccc1[O-])C1CC1 ZINC000180097628 642770501 /nfs/dbraw/zinc/77/05/01/642770501.db2.gz LLBGOIDWWXGBHD-UHFFFAOYSA-N 0 1 239.746 3.420 20 10 BGCDMN CCC[N@H+](Cc1cc(Cl)ccc1[O-])C1CC1 ZINC000180097628 642770490 /nfs/dbraw/zinc/77/04/90/642770490.db2.gz LLBGOIDWWXGBHD-UHFFFAOYSA-N 0 1 239.746 3.420 20 10 BGCDMN CC[N@@H+](Cc1cc(Cl)ccc1[O-])C1CC1 ZINC000180101513 642770165 /nfs/dbraw/zinc/77/01/65/642770165.db2.gz CVZCSZOMSUTWKV-UHFFFAOYSA-N 0 1 225.719 3.030 20 10 BGCDMN CC[N@H+](Cc1cc(Cl)ccc1[O-])C1CC1 ZINC000180101513 642770164 /nfs/dbraw/zinc/77/01/64/642770164.db2.gz CVZCSZOMSUTWKV-UHFFFAOYSA-N 0 1 225.719 3.030 20 10 BGCDMN Oc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000180161874 642778481 /nfs/dbraw/zinc/77/84/81/642778481.db2.gz VHJQIMPBECGITG-TXEJJXNPSA-N 0 1 249.329 3.153 20 10 BGCDMN CC[N@H+](Cc1cccc(Cl)c1[O-])CC1CC1 ZINC000180232909 347019036 /nfs/dbraw/zinc/01/90/36/347019036.db2.gz QRGQERTYRXEASV-UHFFFAOYSA-N 0 1 239.746 3.278 20 10 BGCDMN C[N@@H+](Cc1cccc(Cl)c1[O-])C1CCC1 ZINC000180295369 385518393 /nfs/dbraw/zinc/51/83/93/385518393.db2.gz DYCGUZNWCHSZDD-UHFFFAOYSA-N 0 1 225.719 3.030 20 10 BGCDMN CC1([NH2+]Cc2cc(F)ccc2[O-])CCCCC1 ZINC000180404757 642791755 /nfs/dbraw/zinc/79/17/55/642791755.db2.gz OHXWVSXMIQRXMA-UHFFFAOYSA-N 0 1 237.318 3.344 20 10 BGCDMN C[C@@H]1CC[C@H](C)[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000180714579 642808980 /nfs/dbraw/zinc/80/89/80/642808980.db2.gz HNUZEXFLQKNPBA-AOOOYVTPSA-N 0 1 239.746 3.418 20 10 BGCDMN CCC(C)(CC)[NH2+]Cc1cc(F)ccc1[O-] ZINC000180728012 633899113 /nfs/dbraw/zinc/89/91/13/633899113.db2.gz AVPMFDIIMZWERZ-UHFFFAOYSA-N 0 1 225.307 3.200 20 10 BGCDMN C[N@@H+](CCC1CC1)Cc1cccc(Cl)c1[O-] ZINC000180767130 385545888 /nfs/dbraw/zinc/54/58/88/385545888.db2.gz GJBNBZWVLBOSDO-UHFFFAOYSA-N 0 1 239.746 3.278 20 10 BGCDMN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)CC ZINC000181119213 633910066 /nfs/dbraw/zinc/91/00/66/633910066.db2.gz CNMVZTHBQUIVFL-LBPRGKRZSA-N 0 1 221.344 3.403 20 10 BGCDMN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)CC ZINC000181119213 633910062 /nfs/dbraw/zinc/91/00/62/633910062.db2.gz CNMVZTHBQUIVFL-LBPRGKRZSA-N 0 1 221.344 3.403 20 10 BGCDMN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)CC ZINC000181119228 633909727 /nfs/dbraw/zinc/90/97/27/633909727.db2.gz CNMVZTHBQUIVFL-GFCCVEGCSA-N 0 1 221.344 3.403 20 10 BGCDMN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)CC ZINC000181119228 633909725 /nfs/dbraw/zinc/90/97/25/633909725.db2.gz CNMVZTHBQUIVFL-GFCCVEGCSA-N 0 1 221.344 3.403 20 10 BGCDMN CC(C)[C@@H](C)[N@@H+](Cc1ccccc1[O-])C1CC1 ZINC000183291836 643100164 /nfs/dbraw/zinc/10/01/64/643100164.db2.gz XYGIEMNAQJMUNL-GFCCVEGCSA-N 0 1 233.355 3.401 20 10 BGCDMN CC(C)[C@@H](C)[N@H+](Cc1ccccc1[O-])C1CC1 ZINC000183291836 643100159 /nfs/dbraw/zinc/10/01/59/643100159.db2.gz XYGIEMNAQJMUNL-GFCCVEGCSA-N 0 1 233.355 3.401 20 10 BGCDMN CC(C)[C@H](C)[N@@H+](Cc1ccccc1[O-])C1CC1 ZINC000183291854 643101298 /nfs/dbraw/zinc/10/12/98/643101298.db2.gz XYGIEMNAQJMUNL-LBPRGKRZSA-N 0 1 233.355 3.401 20 10 BGCDMN CC(C)[C@H](C)[N@H+](Cc1ccccc1[O-])C1CC1 ZINC000183291854 643101293 /nfs/dbraw/zinc/10/12/93/643101293.db2.gz XYGIEMNAQJMUNL-LBPRGKRZSA-N 0 1 233.355 3.401 20 10 BGCDMN CCN(Cc1cccc(Cl)c1O)CC(F)F ZINC000184092162 347916242 /nfs/dbraw/zinc/91/62/42/347916242.db2.gz SMDYBJOGDDQLNF-UHFFFAOYSA-N 0 1 249.688 3.133 20 10 BGCDMN CCC1(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])CC1 ZINC000186094048 643440110 /nfs/dbraw/zinc/44/01/10/643440110.db2.gz KALWBEDMFDPRNE-JTQLQIEISA-N 0 1 237.318 3.372 20 10 BGCDMN CCC1(C[NH2+][C@H](C)c2cc(F)ccc2[O-])CC1 ZINC000186094065 643441016 /nfs/dbraw/zinc/44/10/16/643441016.db2.gz KALWBEDMFDPRNE-SNVBAGLBSA-N 0 1 237.318 3.372 20 10 BGCDMN C[C@H]([NH2+]CC1(C)CCC1)c1cc(F)ccc1[O-] ZINC000186094333 643440741 /nfs/dbraw/zinc/44/07/41/643440741.db2.gz IYYZJVALOGJUDO-JTQLQIEISA-N 0 1 237.318 3.372 20 10 BGCDMN C[C@@H]([NH2+]CC1(C)CCC1)c1cc(F)ccc1[O-] ZINC000186094350 643440347 /nfs/dbraw/zinc/44/03/47/643440347.db2.gz IYYZJVALOGJUDO-SNVBAGLBSA-N 0 1 237.318 3.372 20 10 BGCDMN C[C@H]([NH2+]CC1(C2CC2)CC1)c1cc(F)ccc1[O-] ZINC000186162235 386732361 /nfs/dbraw/zinc/73/23/61/386732361.db2.gz LBFAMGKUBZEDFQ-JTQLQIEISA-N 0 1 249.329 3.372 20 10 BGCDMN C[C@@H]([NH2+]CC1(C2CC2)CC1)c1cc(F)ccc1[O-] ZINC000186162252 386731155 /nfs/dbraw/zinc/73/11/55/386731155.db2.gz LBFAMGKUBZEDFQ-SNVBAGLBSA-N 0 1 249.329 3.372 20 10 BGCDMN Cc1ccc(O)c(C[N@H+]2CCCC3(CC3)C2)c1 ZINC000186626441 384862163 /nfs/dbraw/zinc/86/21/63/384862163.db2.gz VYTVQHISNBPPBQ-UHFFFAOYSA-N 0 1 231.339 3.077 20 10 BGCDMN C[C@@H]1CCCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000187516613 641295379 /nfs/dbraw/zinc/29/53/79/641295379.db2.gz OKXJWSWVELLTBY-GFCCVEGCSA-N 0 1 219.328 3.014 20 10 BGCDMN C[C@@H]1CCCC[N@H+](Cc2ccccc2[O-])C1 ZINC000187516613 641295371 /nfs/dbraw/zinc/29/53/71/641295371.db2.gz OKXJWSWVELLTBY-GFCCVEGCSA-N 0 1 219.328 3.014 20 10 BGCDMN C[C@H]1CCCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000187516633 641294619 /nfs/dbraw/zinc/29/46/19/641294619.db2.gz OKXJWSWVELLTBY-LBPRGKRZSA-N 0 1 219.328 3.014 20 10 BGCDMN C[C@H]1CCCC[N@H+](Cc2ccccc2[O-])C1 ZINC000187516633 641294609 /nfs/dbraw/zinc/29/46/09/641294609.db2.gz OKXJWSWVELLTBY-LBPRGKRZSA-N 0 1 219.328 3.014 20 10 BGCDMN CC(C)=CC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000191629643 641934478 /nfs/dbraw/zinc/93/44/78/641934478.db2.gz SPIIVYJCKNSPKL-UHFFFAOYSA-N 0 1 225.719 3.101 20 10 BGCDMN CCC(C)(C)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000192026403 641958329 /nfs/dbraw/zinc/95/83/29/641958329.db2.gz ZITXUUSLDGJASZ-UHFFFAOYSA-N 0 1 225.307 3.057 20 10 BGCDMN CC(C)[N@H+](Cc1ccccc1[O-])CC1CCC1 ZINC000195079612 634350228 /nfs/dbraw/zinc/35/02/28/634350228.db2.gz RXOXYNVMUNBMIJ-UHFFFAOYSA-N 0 1 233.355 3.403 20 10 BGCDMN CC(C)[N@@H+](Cc1ccccc1[O-])CC1CCC1 ZINC000195079612 634350225 /nfs/dbraw/zinc/35/02/25/634350225.db2.gz RXOXYNVMUNBMIJ-UHFFFAOYSA-N 0 1 233.355 3.403 20 10 BGCDMN CC1(C)CCC[N@@H+](Cc2ccccc2[O-])CC1 ZINC000211397827 591164679 /nfs/dbraw/zinc/16/46/79/591164679.db2.gz KDHCTWJUHOTWRE-UHFFFAOYSA-N 0 1 233.355 3.404 20 10 BGCDMN CC1(C)CCC[N@H+](Cc2ccccc2[O-])CC1 ZINC000211397827 591164673 /nfs/dbraw/zinc/16/46/73/591164673.db2.gz KDHCTWJUHOTWRE-UHFFFAOYSA-N 0 1 233.355 3.404 20 10 BGCDMN CC[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])CC1 ZINC000211524333 591194360 /nfs/dbraw/zinc/19/43/60/591194360.db2.gz MSURASZWSBGANO-CYBMUJFWSA-N 0 1 233.355 3.404 20 10 BGCDMN CC[C@@H]1CCC[N@H+](Cc2ccccc2[O-])CC1 ZINC000211524333 591194357 /nfs/dbraw/zinc/19/43/57/591194357.db2.gz MSURASZWSBGANO-CYBMUJFWSA-N 0 1 233.355 3.404 20 10 BGCDMN CC[C@H]1CCC[N@@H+](Cc2ccccc2[O-])CC1 ZINC000211524415 591194519 /nfs/dbraw/zinc/19/45/19/591194519.db2.gz MSURASZWSBGANO-ZDUSSCGKSA-N 0 1 233.355 3.404 20 10 BGCDMN CC[C@H]1CCC[N@H+](Cc2ccccc2[O-])CC1 ZINC000211524415 591194517 /nfs/dbraw/zinc/19/45/17/591194517.db2.gz MSURASZWSBGANO-ZDUSSCGKSA-N 0 1 233.355 3.404 20 10 BGCDMN CCC1(CC)CC[N@@H+](Cc2ccccc2O)C1 ZINC000211652616 591228811 /nfs/dbraw/zinc/22/88/11/591228811.db2.gz MWRDWHCEGXXCOU-UHFFFAOYSA-N 0 1 233.355 3.404 20 10 BGCDMN CC(C)C(C)(C)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000220931086 592379418 /nfs/dbraw/zinc/37/94/18/592379418.db2.gz WGCPMBYTNDNLDR-UHFFFAOYSA-N 0 1 239.334 3.303 20 10 BGCDMN CC1(C)C[C@@H]1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000226255805 640744455 /nfs/dbraw/zinc/74/44/55/640744455.db2.gz WVVZFIMXASATJK-SNVBAGLBSA-N 0 1 239.746 3.181 20 10 BGCDMN CC1(C)C[C@H]1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000226255814 640743068 /nfs/dbraw/zinc/74/30/68/640743068.db2.gz WVVZFIMXASATJK-JTQLQIEISA-N 0 1 239.746 3.181 20 10 BGCDMN CC(C)[C@H](C)[N@@H+](C)Cc1cc(F)ccc1O ZINC000226562243 188357801 /nfs/dbraw/zinc/35/78/01/188357801.db2.gz GZYMYOLUHUDGEI-JTQLQIEISA-N 0 1 225.307 3.008 20 10 BGCDMN CC(C)[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000226576671 635438222 /nfs/dbraw/zinc/43/82/22/635438222.db2.gz XGLPXNGLDOHQKK-NSHDSACASA-N 0 1 237.318 3.009 20 10 BGCDMN CCC[C@@H](CC)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226607508 635436700 /nfs/dbraw/zinc/43/67/00/635436700.db2.gz WUCQHPCYWINSOK-GFCCVEGCSA-N 0 1 225.307 3.200 20 10 BGCDMN CCC[C@H](CC)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226607511 635436597 /nfs/dbraw/zinc/43/65/97/635436597.db2.gz WUCQHPCYWINSOK-LBPRGKRZSA-N 0 1 225.307 3.200 20 10 BGCDMN C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])C(C)(C)C ZINC000226607987 640778410 /nfs/dbraw/zinc/77/84/10/640778410.db2.gz IFPNYVDPYLDYSO-SECBINFHSA-N 0 1 225.307 3.056 20 10 BGCDMN CC1(C[NH2+]Cc2cc(F)ccc2[O-])CCCC1 ZINC000226608087 640778809 /nfs/dbraw/zinc/77/88/09/640778809.db2.gz KBPSLNGNHDZYDL-UHFFFAOYSA-N 0 1 237.318 3.201 20 10 BGCDMN C[C@@H](C[NH2+]Cc1cc(F)ccc1[O-])C(C)(C)C ZINC000226609382 640777769 /nfs/dbraw/zinc/77/77/69/640777769.db2.gz JYEMEMWOXMOZEU-JTQLQIEISA-N 0 1 239.334 3.303 20 10 BGCDMN C[C@H](C[NH2+]Cc1cc(F)ccc1[O-])C(C)(C)C ZINC000226609386 640778315 /nfs/dbraw/zinc/77/83/15/640778315.db2.gz JYEMEMWOXMOZEU-SNVBAGLBSA-N 0 1 239.334 3.303 20 10 BGCDMN C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])C1CCCC1 ZINC000226609584 640777904 /nfs/dbraw/zinc/77/79/04/640777904.db2.gz AMGNVVBOXVJXDN-SNVBAGLBSA-N 0 1 237.318 3.200 20 10 BGCDMN C[C@H]([NH2+]Cc1cc(F)ccc1[O-])C1CCCC1 ZINC000226609589 640777651 /nfs/dbraw/zinc/77/76/51/640777651.db2.gz AMGNVVBOXVJXDN-JTQLQIEISA-N 0 1 237.318 3.200 20 10 BGCDMN [O-]c1ccc(F)cc1C[NH2+]CC(C1CC1)C1CC1 ZINC000226612875 640780247 /nfs/dbraw/zinc/78/02/47/640780247.db2.gz SRRDLSYHYYDVIB-UHFFFAOYSA-N 0 1 249.329 3.057 20 10 BGCDMN CC(C)C1(C[NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000226613554 635435849 /nfs/dbraw/zinc/43/58/49/635435849.db2.gz UUTSVRABVVZHFO-UHFFFAOYSA-N 0 1 237.318 3.057 20 10 BGCDMN CC1(C)CCC[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000226613901 640780399 /nfs/dbraw/zinc/78/03/99/640780399.db2.gz SATFAZQIZBMEJW-ZDUSSCGKSA-N 0 1 237.318 3.200 20 10 BGCDMN CC1(C)CCC[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000226613907 635436881 /nfs/dbraw/zinc/43/68/81/635436881.db2.gz SATFAZQIZBMEJW-CYBMUJFWSA-N 0 1 237.318 3.200 20 10 BGCDMN CCC1(C[NH2+]Cc2cc(F)ccc2[O-])CCC1 ZINC000226614161 640780230 /nfs/dbraw/zinc/78/02/30/640780230.db2.gz UIYHHNMEXYDQJM-UHFFFAOYSA-N 0 1 237.318 3.201 20 10 BGCDMN [O-]c1c(F)cccc1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000228004642 635457314 /nfs/dbraw/zinc/45/73/14/635457314.db2.gz VMZMTZIQOZVQJN-SMDDNHRTSA-N 0 1 249.329 3.296 20 10 BGCDMN [O-]c1c(F)cccc1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000228004654 640855454 /nfs/dbraw/zinc/85/54/54/640855454.db2.gz VMZMTZIQOZVQJN-BXUZGUMPSA-N 0 1 249.329 3.296 20 10 BGCDMN C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](Cc2ccccc2[O-])C1 ZINC000229553171 640966968 /nfs/dbraw/zinc/96/69/68/640966968.db2.gz HNLPPZUYFFYMLU-JHJVBQTASA-N 0 1 233.355 3.259 20 10 BGCDMN C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](Cc2ccccc2[O-])C1 ZINC000229553171 640966964 /nfs/dbraw/zinc/96/69/64/640966964.db2.gz HNLPPZUYFFYMLU-JHJVBQTASA-N 0 1 233.355 3.259 20 10 BGCDMN C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](Cc2ccccc2[O-])C1 ZINC000229553184 640966676 /nfs/dbraw/zinc/96/66/76/640966676.db2.gz HNLPPZUYFFYMLU-FRRDWIJNSA-N 0 1 233.355 3.259 20 10 BGCDMN C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](Cc2ccccc2[O-])C1 ZINC000229553184 640966672 /nfs/dbraw/zinc/96/66/72/640966672.db2.gz HNLPPZUYFFYMLU-FRRDWIJNSA-N 0 1 233.355 3.259 20 10 BGCDMN CC(C)([NH2+]Cc1cc(Cl)ccc1[O-])C1CC1 ZINC000230674646 641080216 /nfs/dbraw/zinc/08/02/16/641080216.db2.gz XFMFORKCPWARDE-UHFFFAOYSA-N 0 1 239.746 3.324 20 10 BGCDMN CC(C)=CC[NH2+]Cc1c([O-])cccc1Cl ZINC000232613142 641307297 /nfs/dbraw/zinc/30/72/97/641307297.db2.gz RBNJPRUCMQYGLV-UHFFFAOYSA-N 0 1 225.719 3.101 20 10 BGCDMN CC[C@H]1CC[C@H](C)[N@H+]1Cc1cc(F)ccc1O ZINC000234049749 643358107 /nfs/dbraw/zinc/35/81/07/643358107.db2.gz VEPRNMPVUITZLH-GWCFXTLKSA-N 0 1 237.318 3.294 20 10 BGCDMN C[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000235289347 632613455 /nfs/dbraw/zinc/61/34/55/632613455.db2.gz MZIWWNNUWJCDML-MNOVXSKESA-N 0 1 237.318 3.057 20 10 BGCDMN C[C@H]1CCC[C@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000235553538 632782103 /nfs/dbraw/zinc/78/21/03/632782103.db2.gz MZIWWNNUWJCDML-QWRGUYRKSA-N 0 1 237.318 3.057 20 10 BGCDMN C[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000235578277 632790704 /nfs/dbraw/zinc/79/07/04/632790704.db2.gz MZIWWNNUWJCDML-WDEREUQCSA-N 0 1 237.318 3.057 20 10 BGCDMN C[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])[C@H]1C ZINC000245871380 386609018 /nfs/dbraw/zinc/60/90/18/386609018.db2.gz GWECJIAKJJSQLJ-NEPJUHHUSA-N 0 1 219.328 3.013 20 10 BGCDMN C[C@@H]1CCC[N@H+](Cc2ccccc2[O-])[C@H]1C ZINC000245871380 386609014 /nfs/dbraw/zinc/60/90/14/386609014.db2.gz GWECJIAKJJSQLJ-NEPJUHHUSA-N 0 1 219.328 3.013 20 10 BGCDMN C[C@H]1CCC[N@@H+](Cc2ccccc2[O-])[C@H]1C ZINC000245871384 177102087 /nfs/dbraw/zinc/10/20/87/177102087.db2.gz GWECJIAKJJSQLJ-RYUDHWBXSA-N 0 1 219.328 3.013 20 10 BGCDMN C[C@H]1CCC[N@H+](Cc2ccccc2[O-])[C@H]1C ZINC000245871384 177102085 /nfs/dbraw/zinc/10/20/85/177102085.db2.gz GWECJIAKJJSQLJ-RYUDHWBXSA-N 0 1 219.328 3.013 20 10 BGCDMN C[C@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])[C@H]1C ZINC000246015469 644558565 /nfs/dbraw/zinc/55/85/65/644558565.db2.gz ZDQOGQDCSGFBPU-UWVGGRQHSA-N 0 1 239.746 3.276 20 10 BGCDMN C[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])[C@H]1C ZINC000246015473 644558416 /nfs/dbraw/zinc/55/84/16/644558416.db2.gz ZDQOGQDCSGFBPU-ZJUUUORDSA-N 0 1 239.746 3.276 20 10 BGCDMN C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])[C@H]1C ZINC000247275451 642387715 /nfs/dbraw/zinc/38/77/15/642387715.db2.gz YHDPCGCJWUQJMH-UWVGGRQHSA-N 0 1 239.746 3.276 20 10 BGCDMN C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])[C@H]1C ZINC000247275451 642387708 /nfs/dbraw/zinc/38/77/08/642387708.db2.gz YHDPCGCJWUQJMH-UWVGGRQHSA-N 0 1 239.746 3.276 20 10 BGCDMN C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])[C@H]1C ZINC000247275467 644629176 /nfs/dbraw/zinc/62/91/76/644629176.db2.gz YHDPCGCJWUQJMH-ZJUUUORDSA-N 0 1 239.746 3.276 20 10 BGCDMN C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])[C@H]1C ZINC000247275467 644629171 /nfs/dbraw/zinc/62/91/71/644629171.db2.gz YHDPCGCJWUQJMH-ZJUUUORDSA-N 0 1 239.746 3.276 20 10 BGCDMN C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)[C@H]1C ZINC000247275467 644629167 /nfs/dbraw/zinc/62/91/67/644629167.db2.gz YHDPCGCJWUQJMH-ZJUUUORDSA-N 0 1 239.746 3.276 20 10 BGCDMN C[C@@H]1C[N@@H+](Cc2ccccc2O)[C@@H]2CCCC[C@@H]21 ZINC000248373397 644676743 /nfs/dbraw/zinc/67/67/43/644676743.db2.gz IQVRCOFEVLOMCW-BPLDGKMQSA-N 0 1 245.366 3.403 20 10 BGCDMN C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])[C@H]1C ZINC000252768994 644903298 /nfs/dbraw/zinc/90/32/98/644903298.db2.gz JOQVPWTVWUILEP-MNOVXSKESA-N 0 1 237.318 3.152 20 10 BGCDMN C[C@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])[C@H]1C ZINC000252768996 644903164 /nfs/dbraw/zinc/90/31/64/644903164.db2.gz JOQVPWTVWUILEP-QWRGUYRKSA-N 0 1 237.318 3.152 20 10 BGCDMN COc1ccc(CNCc2occc2C)cc1C ZINC000266186498 175107996 /nfs/dbraw/zinc/10/79/96/175107996.db2.gz HLLHRPSWWTUFOD-UHFFFAOYSA-N 0 1 245.322 3.195 20 10 BGCDMN CC1=CC[N@@H+](Cc2cccc(Cl)c2[O-])CC1 ZINC000271785551 168114623 /nfs/dbraw/zinc/11/46/23/168114623.db2.gz IGPMWXCGSDVTHS-UHFFFAOYSA-N 0 1 237.730 3.198 20 10 BGCDMN C[C@@H]([NH2+]C1CCC1)c1cc(Cl)ccc1[O-] ZINC000273508648 389041253 /nfs/dbraw/zinc/04/12/53/389041253.db2.gz RICBPVWTCAMNGD-MRVPVSSYSA-N 0 1 225.719 3.249 20 10 BGCDMN C[C@H]([NH2+]C1CCC1)c1cc(Cl)ccc1[O-] ZINC000273508650 389041238 /nfs/dbraw/zinc/04/12/38/389041238.db2.gz RICBPVWTCAMNGD-QMMMGPOBSA-N 0 1 225.719 3.249 20 10 BGCDMN C[C@H]([NH2+]CCF)c1ccc2ccccc2c1[O-] ZINC000280886953 385615707 /nfs/dbraw/zinc/61/57/07/385615707.db2.gz BHCHRSHKXUNKRP-JTQLQIEISA-N 0 1 233.286 3.166 20 10 BGCDMN C[C@@H]([NH2+]CCF)c1ccc2ccccc2c1[O-] ZINC000280886956 385615391 /nfs/dbraw/zinc/61/53/91/385615391.db2.gz BHCHRSHKXUNKRP-SNVBAGLBSA-N 0 1 233.286 3.166 20 10 BGCDMN CC1=CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000281862772 168100382 /nfs/dbraw/zinc/10/03/82/168100382.db2.gz UBFVPLWFIPMEKG-UHFFFAOYSA-N 0 1 237.730 3.198 20 10 BGCDMN Cc1ccoc1CN(C)Cc1cc(F)ccc1O ZINC000292798821 386728167 /nfs/dbraw/zinc/72/81/67/386728167.db2.gz NHONAHZQDUHJKQ-UHFFFAOYSA-N 0 1 249.285 3.065 20 10 BGCDMN CC[C@@H]1CC[N@H+]1Cc1c([O-])cccc1Cl ZINC000292831956 171023447 /nfs/dbraw/zinc/02/34/47/171023447.db2.gz RJFDHVAFKTZSKK-SECBINFHSA-N 0 1 225.719 3.030 20 10 BGCDMN CC[C@@H]1CC[N@@H+]1Cc1c([O-])cccc1Cl ZINC000292831956 171023446 /nfs/dbraw/zinc/02/34/46/171023446.db2.gz RJFDHVAFKTZSKK-SECBINFHSA-N 0 1 225.719 3.030 20 10 BGCDMN CC[C@H]1CC[N@H+]1Cc1c([O-])cccc1Cl ZINC000292831960 386733162 /nfs/dbraw/zinc/73/31/62/386733162.db2.gz RJFDHVAFKTZSKK-VIFPVBQESA-N 0 1 225.719 3.030 20 10 BGCDMN CC[C@H]1CC[N@@H+]1Cc1c([O-])cccc1Cl ZINC000292831960 386733157 /nfs/dbraw/zinc/73/31/57/386733157.db2.gz RJFDHVAFKTZSKK-VIFPVBQESA-N 0 1 225.719 3.030 20 10 BGCDMN CC[C@H]1CC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000292859561 386740374 /nfs/dbraw/zinc/74/03/74/386740374.db2.gz VEOAOTGRQXZSDW-JTQLQIEISA-N 0 1 225.719 3.030 20 10 BGCDMN CC[C@@H]1CC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000292859569 171024842 /nfs/dbraw/zinc/02/48/42/171024842.db2.gz VEOAOTGRQXZSDW-SNVBAGLBSA-N 0 1 225.719 3.030 20 10 BGCDMN CC(F)(F)CC[NH2+]Cc1c([O-])cccc1Cl ZINC000294302021 388398911 /nfs/dbraw/zinc/39/89/11/388398911.db2.gz VCYBSSLEZJHPIW-UHFFFAOYSA-N 0 1 249.688 3.181 20 10 BGCDMN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C1CCC1 ZINC000295407023 386026279 /nfs/dbraw/zinc/02/62/79/386026279.db2.gz RGZKYJYMCXKCTO-UHFFFAOYSA-N 0 1 243.709 3.169 20 10 BGCDMN Cc1sccc1C[N@H+](C)Cc1ccccc1O ZINC000295415574 386029802 /nfs/dbraw/zinc/02/98/02/386029802.db2.gz RVTLAQWVYBPNRD-UHFFFAOYSA-N 0 1 247.363 3.394 20 10 BGCDMN C[N@H+](Cc1cc(Cl)c(F)cc1[O-])CC1CC1 ZINC000295487842 386040720 /nfs/dbraw/zinc/04/07/20/386040720.db2.gz XOGGRESSNYRUID-UHFFFAOYSA-N 0 1 243.709 3.027 20 10 BGCDMN C[N@H+](Cc1c([O-])ccc2ccccc21)CC1CC1 ZINC000299155690 386423429 /nfs/dbraw/zinc/42/34/29/386423429.db2.gz OGOROTKCXLVKNO-UHFFFAOYSA-N 0 1 241.334 3.387 20 10 BGCDMN C[N@@H+](Cc1c([O-])ccc2ccccc21)CC1CC1 ZINC000299155690 386423427 /nfs/dbraw/zinc/42/34/27/386423427.db2.gz OGOROTKCXLVKNO-UHFFFAOYSA-N 0 1 241.334 3.387 20 10 BGCDMN C[C@H](NC/C(Cl)=C\Cl)c1ccccc1O ZINC000308826630 631673872 /nfs/dbraw/zinc/67/38/72/631673872.db2.gz AKLCWKJZEZTZRH-CYXIBPNKSA-N 0 1 246.137 3.362 20 10 BGCDMN C[C@@H](NC/C(Cl)=C\Cl)c1ccccc1O ZINC000308826633 631870744 /nfs/dbraw/zinc/87/07/44/631870744.db2.gz AKLCWKJZEZTZRH-GTUWVTDSSA-N 0 1 246.137 3.362 20 10 BGCDMN C[C@H](NC/C(Cl)=C/Cl)c1ccccc1O ZINC000308826637 631870781 /nfs/dbraw/zinc/87/07/81/631870781.db2.gz AKLCWKJZEZTZRH-HWPCKVLBSA-N 0 1 246.137 3.362 20 10 BGCDMN C[C@@H](NC/C(Cl)=C/Cl)c1ccccc1O ZINC000308826642 631871657 /nfs/dbraw/zinc/87/16/57/631871657.db2.gz AKLCWKJZEZTZRH-WSQKDGNHSA-N 0 1 246.137 3.362 20 10 BGCDMN CC(C)=CCC[NH2+]Cc1c([O-])cccc1Cl ZINC000309417570 633039167 /nfs/dbraw/zinc/03/91/67/633039167.db2.gz ZAWNZKMBCLNJEQ-UHFFFAOYSA-N 0 1 239.746 3.492 20 10 BGCDMN C[C@@H]([NH2+][C@H]1CC1(C)C)c1cc(Cl)ccc1[O-] ZINC000309500276 711686872 /nfs/dbraw/zinc/68/68/72/711686872.db2.gz UUFRLIWFFXTGET-PELKAZGASA-N 0 1 239.746 3.495 20 10 BGCDMN C[C@H]([NH2+][C@H]1CC1(C)C)c1cc(Cl)ccc1[O-] ZINC000309500280 633938123 /nfs/dbraw/zinc/93/81/23/633938123.db2.gz UUFRLIWFFXTGET-UFBFGSQYSA-N 0 1 239.746 3.495 20 10 BGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C1(C2CC2)CC1 ZINC000309530754 632474780 /nfs/dbraw/zinc/47/47/80/632474780.db2.gz VXOFKGCLCGWMEO-UHFFFAOYSA-N 0 1 237.730 3.078 20 10 BGCDMN C[C@@H]([NH2+]CC1(C)CC1)c1cc(Cl)ccc1[O-] ZINC000309552196 632481684 /nfs/dbraw/zinc/48/16/84/632481684.db2.gz IOYRLSKMJBWLFC-SECBINFHSA-N 0 1 239.746 3.496 20 10 BGCDMN C[C@H]([NH2+]CC1(C)CC1)c1cc(Cl)ccc1[O-] ZINC000309552198 632482117 /nfs/dbraw/zinc/48/21/17/632482117.db2.gz IOYRLSKMJBWLFC-VIFPVBQESA-N 0 1 239.746 3.496 20 10 BGCDMN C[C@H]([NH2+][C@H]1CC[C@@H]1C)c1cc(Cl)ccc1[O-] ZINC000309585306 632550634 /nfs/dbraw/zinc/55/06/34/632550634.db2.gz RPFZSBLHVCZPBB-AUTRQRHGSA-N 0 1 239.746 3.495 20 10 BGCDMN C[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1cc(Cl)ccc1[O-] ZINC000309585308 633207274 /nfs/dbraw/zinc/20/72/74/633207274.db2.gz RPFZSBLHVCZPBB-HOTUBEGUSA-N 0 1 239.746 3.495 20 10 BGCDMN C[C@H]([NH2+][C@H]1CC[C@H]1C)c1cc(Cl)ccc1[O-] ZINC000309585309 633208203 /nfs/dbraw/zinc/20/82/03/633208203.db2.gz RPFZSBLHVCZPBB-PTRXPTGYSA-N 0 1 239.746 3.495 20 10 BGCDMN C[C@H]([NH2+][C@@H]1CC[C@H]1C)c1cc(Cl)ccc1[O-] ZINC000309585311 633207357 /nfs/dbraw/zinc/20/73/57/633207357.db2.gz RPFZSBLHVCZPBB-VDDIYKPWSA-N 0 1 239.746 3.495 20 10 BGCDMN CC(C)(NCc1cccc(Cl)c1O)C(F)F ZINC000309707187 711662527 /nfs/dbraw/zinc/66/25/27/711662527.db2.gz VWXWNKCAJLVXHI-UHFFFAOYSA-N 0 1 249.688 3.179 20 10 BGCDMN CC(C)([NH2+]Cc1cccc(Cl)c1[O-])C(F)F ZINC000309707187 711662526 /nfs/dbraw/zinc/66/25/26/711662526.db2.gz VWXWNKCAJLVXHI-UHFFFAOYSA-N 0 1 249.688 3.179 20 10 BGCDMN CC[C@@H]([NH2+]CC1CC1)c1cc(Cl)ccc1[O-] ZINC000309717479 711700416 /nfs/dbraw/zinc/70/04/16/711700416.db2.gz UOIUCGAQBCAFJM-GFCCVEGCSA-N 0 1 239.746 3.496 20 10 BGCDMN CC[C@H]([NH2+]CC1CC1)c1cc(Cl)ccc1[O-] ZINC000309717480 632655671 /nfs/dbraw/zinc/65/56/71/632655671.db2.gz UOIUCGAQBCAFJM-LBPRGKRZSA-N 0 1 239.746 3.496 20 10 BGCDMN CC1(CC[NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000309801859 633755683 /nfs/dbraw/zinc/75/56/83/633755683.db2.gz RIFJVUXOCXNDLF-UHFFFAOYSA-N 0 1 239.746 3.325 20 10 BGCDMN CC[C@@H]([NH2+]CCCF)c1cc(Cl)ccc1[O-] ZINC000310005120 634067413 /nfs/dbraw/zinc/06/74/13/634067413.db2.gz GHLUQILFTDNOPO-LLVKDONJSA-N 0 1 245.725 3.446 20 10 BGCDMN CC[C@H]([NH2+]CCCF)c1cc(Cl)ccc1[O-] ZINC000310005122 634066654 /nfs/dbraw/zinc/06/66/54/634066654.db2.gz GHLUQILFTDNOPO-NSHDSACASA-N 0 1 245.725 3.446 20 10 BGCDMN CC[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])C1CC1 ZINC000323932586 641305772 /nfs/dbraw/zinc/30/57/72/641305772.db2.gz YGPFQYTZTUWGRJ-NOZJJQNGSA-N 0 1 237.318 3.371 20 10 BGCDMN CC[C@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])C1CC1 ZINC000323932587 641306840 /nfs/dbraw/zinc/30/68/40/641306840.db2.gz YGPFQYTZTUWGRJ-RNCFNFMXSA-N 0 1 237.318 3.371 20 10 BGCDMN CC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])C1CC1 ZINC000323932588 641309308 /nfs/dbraw/zinc/30/93/08/641309308.db2.gz YGPFQYTZTUWGRJ-TVQRCGJNSA-N 0 1 237.318 3.371 20 10 BGCDMN CC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])C1CC1 ZINC000323932589 641307891 /nfs/dbraw/zinc/30/78/91/641307891.db2.gz YGPFQYTZTUWGRJ-ZANVPECISA-N 0 1 237.318 3.371 20 10 BGCDMN CC(C)[C@H]([NH2+]Cc1cc(F)ccc1[O-])C1CC1 ZINC000324148693 641569445 /nfs/dbraw/zinc/56/94/45/641569445.db2.gz XUYYNFUUSNDQTC-AWEZNQCLSA-N 0 1 237.318 3.056 20 10 BGCDMN CC(C)[C@@H]([NH2+]Cc1cc(F)ccc1[O-])C1CC1 ZINC000324148694 641569358 /nfs/dbraw/zinc/56/93/58/641569358.db2.gz XUYYNFUUSNDQTC-CQSZACIVSA-N 0 1 237.318 3.056 20 10 BGCDMN CC[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])C1CC1 ZINC000324486873 641877370 /nfs/dbraw/zinc/87/73/70/641877370.db2.gz PMGYSZVJPWBKBZ-GFCCVEGCSA-N 0 1 239.746 3.324 20 10 BGCDMN CC[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])C1CC1 ZINC000324486874 641877542 /nfs/dbraw/zinc/87/75/42/641877542.db2.gz PMGYSZVJPWBKBZ-LBPRGKRZSA-N 0 1 239.746 3.324 20 10 BGCDMN [O-]c1ccc(F)cc1C[NH2+][C@H](C1CC1)C1CCC1 ZINC000324645623 641885290 /nfs/dbraw/zinc/88/52/90/641885290.db2.gz DRTCJHDIDGTULE-HNNXBMFYSA-N 0 1 249.329 3.200 20 10 BGCDMN [O-]c1ccc(F)cc1C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000324645624 641885225 /nfs/dbraw/zinc/88/52/25/641885225.db2.gz DRTCJHDIDGTULE-OAHLLOKOSA-N 0 1 249.329 3.200 20 10 BGCDMN C[C@@H]1CC2(CCC2)C[N@H+]1Cc1ccccc1O ZINC000365445322 176057824 /nfs/dbraw/zinc/05/78/24/176057824.db2.gz VOMFPIURGXNFJE-GFCCVEGCSA-N 0 1 231.339 3.157 20 10 BGCDMN [O-]c1c(F)cccc1C[N@H+]1CCCC12CCC2 ZINC000377201870 387701962 /nfs/dbraw/zinc/70/19/62/387701962.db2.gz QCKZORFYFSKJAG-UHFFFAOYSA-N 0 1 235.302 3.050 20 10 BGCDMN CC(C)C1([NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000378855273 712366688 /nfs/dbraw/zinc/36/66/88/712366688.db2.gz JPPKDVNMTLFLRJ-UHFFFAOYSA-N 0 1 239.746 3.324 20 10 BGCDMN CCC1([NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000379723069 712392951 /nfs/dbraw/zinc/39/29/51/712392951.db2.gz LWAUFWKFTRYLPS-UHFFFAOYSA-N 0 1 225.719 3.078 20 10 BGCDMN CC[C@@H]([NH2+]C1CC1)c1cc(Cl)ccc1[O-] ZINC000379959436 712636652 /nfs/dbraw/zinc/63/66/52/712636652.db2.gz WLSICDBNIFVUSJ-LLVKDONJSA-N 0 1 225.719 3.249 20 10 BGCDMN CC[C@H]([NH2+]C1CC1)c1cc(Cl)ccc1[O-] ZINC000379959448 712636661 /nfs/dbraw/zinc/63/66/61/712636661.db2.gz WLSICDBNIFVUSJ-NSHDSACASA-N 0 1 225.719 3.249 20 10 BGCDMN CC[C@H]([NH2+]CCF)c1cc(Cl)ccc1[O-] ZINC000380332961 712887195 /nfs/dbraw/zinc/88/71/95/712887195.db2.gz OWMYIKFLWRSPKQ-JTQLQIEISA-N 0 1 231.698 3.056 20 10 BGCDMN CC[C@@H]([NH2+]CCF)c1cc(Cl)ccc1[O-] ZINC000380332962 712887245 /nfs/dbraw/zinc/88/72/45/712887245.db2.gz OWMYIKFLWRSPKQ-SNVBAGLBSA-N 0 1 231.698 3.056 20 10 BGCDMN CC[N@@H+](Cc1ccccc1[O-])CC(C)(C)C ZINC000380671483 712394524 /nfs/dbraw/zinc/39/45/24/712394524.db2.gz BJWVWJBBMYJICS-UHFFFAOYSA-N 0 1 221.344 3.260 20 10 BGCDMN CC[N@H+](Cc1ccccc1[O-])CC(C)(C)C ZINC000380671483 712394522 /nfs/dbraw/zinc/39/45/22/712394522.db2.gz BJWVWJBBMYJICS-UHFFFAOYSA-N 0 1 221.344 3.260 20 10 BGCDMN C[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)[C@@H]1C ZINC000380733615 712902743 /nfs/dbraw/zinc/90/27/43/712902743.db2.gz KYFAKYBIQLCMBB-NXEZZACHSA-N 0 1 239.746 3.276 20 10 BGCDMN C[C@@H]1CC[N@H+](Cc2c([O-])cccc2Cl)[C@@H]1C ZINC000380733615 712902742 /nfs/dbraw/zinc/90/27/42/712902742.db2.gz KYFAKYBIQLCMBB-NXEZZACHSA-N 0 1 239.746 3.276 20 10 BGCDMN C[C@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)[C@H]1C ZINC000380733616 712902829 /nfs/dbraw/zinc/90/28/29/712902829.db2.gz KYFAKYBIQLCMBB-UWVGGRQHSA-N 0 1 239.746 3.276 20 10 BGCDMN C[C@H]1CC[N@H+](Cc2c([O-])cccc2Cl)[C@H]1C ZINC000380733616 712902828 /nfs/dbraw/zinc/90/28/28/712902828.db2.gz KYFAKYBIQLCMBB-UWVGGRQHSA-N 0 1 239.746 3.276 20 10 BGCDMN C[C@@H]1[C@@H](C)CC[N@H+]1Cc1c([O-])cccc1Cl ZINC000380733617 712902688 /nfs/dbraw/zinc/90/26/88/712902688.db2.gz KYFAKYBIQLCMBB-VHSXEESVSA-N 0 1 239.746 3.276 20 10 BGCDMN C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1c([O-])cccc1Cl ZINC000380733617 712902687 /nfs/dbraw/zinc/90/26/87/712902687.db2.gz KYFAKYBIQLCMBB-VHSXEESVSA-N 0 1 239.746 3.276 20 10 BGCDMN C[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)[C@H]1C ZINC000380733618 712902873 /nfs/dbraw/zinc/90/28/73/712902873.db2.gz KYFAKYBIQLCMBB-ZJUUUORDSA-N 0 1 239.746 3.276 20 10 BGCDMN C[C@@H]1CC[N@H+](Cc2c([O-])cccc2Cl)[C@H]1C ZINC000380733618 712902872 /nfs/dbraw/zinc/90/28/72/712902872.db2.gz KYFAKYBIQLCMBB-ZJUUUORDSA-N 0 1 239.746 3.276 20 10 BGCDMN CC(C)C(C)(C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000381131036 710603452 /nfs/dbraw/zinc/60/34/52/710603452.db2.gz KSEAXNLFUJUMAD-UHFFFAOYSA-N 0 1 225.307 3.056 20 10 BGCDMN CC(C)=CCC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000381255457 710612692 /nfs/dbraw/zinc/61/26/92/710612692.db2.gz QPWNLIHNJVTGKR-UHFFFAOYSA-N 0 1 239.746 3.492 20 10 BGCDMN C[C@@H]([NH2+]CCCCF)c1cc(Cl)ccc1[O-] ZINC000381438657 710636657 /nfs/dbraw/zinc/63/66/57/710636657.db2.gz DKNVLDXQALRCRC-SECBINFHSA-N 0 1 245.725 3.446 20 10 BGCDMN C[C@H]([NH2+]CCCCF)c1cc(Cl)ccc1[O-] ZINC000381438658 710636544 /nfs/dbraw/zinc/63/65/44/710636544.db2.gz DKNVLDXQALRCRC-VIFPVBQESA-N 0 1 245.725 3.446 20 10 BGCDMN C[N@@H+](Cc1cc(Cl)ccc1[O-])C(C)(C)C ZINC000381901488 710758588 /nfs/dbraw/zinc/75/85/88/710758588.db2.gz CIEYJYRUCDVUDN-UHFFFAOYSA-N 0 1 227.735 3.276 20 10 BGCDMN C[N@H+](Cc1cc(Cl)ccc1[O-])C(C)(C)C ZINC000381901488 710758586 /nfs/dbraw/zinc/75/85/86/710758586.db2.gz CIEYJYRUCDVUDN-UHFFFAOYSA-N 0 1 227.735 3.276 20 10 BGCDMN C[N@@H+](Cc1cccc(Cl)c1[O-])C(C)(C)C ZINC000381934916 710759450 /nfs/dbraw/zinc/75/94/50/710759450.db2.gz SARCYASMHBRHBT-UHFFFAOYSA-N 0 1 227.735 3.276 20 10 BGCDMN C[C@@H](F)CC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000382003284 710764175 /nfs/dbraw/zinc/76/41/75/710764175.db2.gz AEYJDLMFHVAPDP-BDAKNGLRSA-N 0 1 245.725 3.444 20 10 BGCDMN C[C@@H]([NH2+]CC[C@H](C)F)c1cc(Cl)ccc1[O-] ZINC000382003288 710763920 /nfs/dbraw/zinc/76/39/20/710763920.db2.gz AEYJDLMFHVAPDP-DTWKUNHWSA-N 0 1 245.725 3.444 20 10 BGCDMN C[C@H](F)CC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000382003292 710764728 /nfs/dbraw/zinc/76/47/28/710764728.db2.gz AEYJDLMFHVAPDP-IUCAKERBSA-N 0 1 245.725 3.444 20 10 BGCDMN C[C@@H](F)CC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000382003293 710764423 /nfs/dbraw/zinc/76/44/23/710764423.db2.gz AEYJDLMFHVAPDP-RKDXNWHRSA-N 0 1 245.725 3.444 20 10 BGCDMN CC(F)(F)CC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000382205301 711554574 /nfs/dbraw/zinc/55/45/74/711554574.db2.gz UHVTYXMQVFSJIX-UHFFFAOYSA-N 0 1 249.688 3.181 20 10 BGCDMN CCC[NH2+][C@H](CC)c1cc(Cl)ccc1[O-] ZINC000382353150 711490498 /nfs/dbraw/zinc/49/04/98/711490498.db2.gz QYABTJINHORUSZ-LLVKDONJSA-N 0 1 227.735 3.496 20 10 BGCDMN CCC[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000382353151 711490837 /nfs/dbraw/zinc/49/08/37/711490837.db2.gz QYABTJINHORUSZ-NSHDSACASA-N 0 1 227.735 3.496 20 10 BGCDMN CCC1([NH2+]Cc2cc(F)ccc2[O-])CCCC1 ZINC000382607768 710973795 /nfs/dbraw/zinc/97/37/95/710973795.db2.gz VTAUBFVQSKDUJX-UHFFFAOYSA-N 0 1 237.318 3.344 20 10 BGCDMN CC(C)(C)C(C)(C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000383663973 710984433 /nfs/dbraw/zinc/98/44/33/710984433.db2.gz KDMIFGKZTAWMRX-UHFFFAOYSA-N 0 1 239.334 3.446 20 10 BGCDMN CC/C=C\C[NH2+]Cc1c([O-])cccc1Cl ZINC000384843101 710998372 /nfs/dbraw/zinc/99/83/72/710998372.db2.gz JLSJTLNDXSWCAC-ARJAWSKDSA-N 0 1 225.719 3.101 20 10 BGCDMN CC/C=C/C[NH2+]Cc1c([O-])cccc1Cl ZINC000384843102 710998336 /nfs/dbraw/zinc/99/83/36/710998336.db2.gz JLSJTLNDXSWCAC-ONEGZZNKSA-N 0 1 225.719 3.101 20 10 BGCDMN C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])[C@@H]1C ZINC000385626389 711742889 /nfs/dbraw/zinc/74/28/89/711742889.db2.gz JUSWJFJRJDQURW-KBVBSXBZSA-N 0 1 239.746 3.180 20 10 BGCDMN C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])[C@@H]1C ZINC000385626876 711016657 /nfs/dbraw/zinc/01/66/57/711016657.db2.gz JUSWJFJRJDQURW-LNLATYFQSA-N 0 1 239.746 3.180 20 10 BGCDMN C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])[C@H]1C ZINC000385626878 711015974 /nfs/dbraw/zinc/01/59/74/711015974.db2.gz JUSWJFJRJDQURW-PTRXPTGYSA-N 0 1 239.746 3.180 20 10 BGCDMN C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])[C@H]1C ZINC000385626880 711016524 /nfs/dbraw/zinc/01/65/24/711016524.db2.gz JUSWJFJRJDQURW-VDDIYKPWSA-N 0 1 239.746 3.180 20 10 BGCDMN [O-]c1ccc(F)cc1C[NH2+][C@H]1CC2CCC1CC2 ZINC000386720611 711036167 /nfs/dbraw/zinc/03/61/67/711036167.db2.gz XZQFPFPWWMIWSG-MGULZYLOSA-N 0 1 249.329 3.200 20 10 BGCDMN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CC2CCC1CC2 ZINC000386720619 711036095 /nfs/dbraw/zinc/03/60/95/711036095.db2.gz XZQFPFPWWMIWSG-QIMFLAQGSA-N 0 1 249.329 3.200 20 10 BGCDMN CC[C@@H]1C[C@H]1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000387969466 711050252 /nfs/dbraw/zinc/05/02/52/711050252.db2.gz FUGKPFACHXYIFW-ZJUUUORDSA-N 0 1 239.746 3.181 20 10 BGCDMN CC[C@@H]1C[C@H]1C[NH2+]Cc1c([O-])cccc1Cl ZINC000388006419 711833072 /nfs/dbraw/zinc/83/30/72/711833072.db2.gz MWZLAIJVJPDNJP-ZJUUUORDSA-N 0 1 239.746 3.181 20 10 BGCDMN CC1(C)CC[C@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000390456172 711118759 /nfs/dbraw/zinc/11/87/59/711118759.db2.gz ACNFUYZDCDNVKA-GFCCVEGCSA-N 0 1 239.746 3.324 20 10 BGCDMN CC1(C)CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000390456175 711119225 /nfs/dbraw/zinc/11/92/25/711119225.db2.gz ACNFUYZDCDNVKA-LBPRGKRZSA-N 0 1 239.746 3.324 20 10 BGCDMN CC1(CC[NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000390483241 711120367 /nfs/dbraw/zinc/12/03/67/711120367.db2.gz NQYABDNPQBABNL-UHFFFAOYSA-N 0 1 239.746 3.325 20 10 BGCDMN CC1(C)CC[C@H]1[NH2+]Cc1c([O-])cccc1Cl ZINC000390676658 711131833 /nfs/dbraw/zinc/13/18/33/711131833.db2.gz VRHPROOKUOIFEJ-GFCCVEGCSA-N 0 1 239.746 3.324 20 10 BGCDMN CC1(C)CC[C@@H]1[NH2+]Cc1c([O-])cccc1Cl ZINC000390676659 711132459 /nfs/dbraw/zinc/13/24/59/711132459.db2.gz VRHPROOKUOIFEJ-LBPRGKRZSA-N 0 1 239.746 3.324 20 10 BGCDMN C[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])C1(C)CC1 ZINC000393756493 711172304 /nfs/dbraw/zinc/17/23/04/711172304.db2.gz XLQOYZASLQQYRO-SECBINFHSA-N 0 1 239.746 3.324 20 10 BGCDMN C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])C1(C)CC1 ZINC000393756495 711172409 /nfs/dbraw/zinc/17/24/09/711172409.db2.gz XLQOYZASLQQYRO-VIFPVBQESA-N 0 1 239.746 3.324 20 10 BGCDMN CC/C=C\C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000395024882 711691948 /nfs/dbraw/zinc/69/19/48/711691948.db2.gz OPCGCFLZGGUTFF-ARJAWSKDSA-N 0 1 225.719 3.101 20 10 BGCDMN CC/C=C/C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000395024883 711199516 /nfs/dbraw/zinc/19/95/16/711199516.db2.gz OPCGCFLZGGUTFF-ONEGZZNKSA-N 0 1 225.719 3.101 20 10 BGCDMN CC1(C)CC([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000395162631 711203068 /nfs/dbraw/zinc/20/30/68/711203068.db2.gz ALSLLDCDHLBEBF-UHFFFAOYSA-N 0 1 239.746 3.324 20 10 BGCDMN CC1(C)CC([NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000395187149 711205335 /nfs/dbraw/zinc/20/53/35/711205335.db2.gz UCWDNJWLOUMAOR-UHFFFAOYSA-N 0 1 239.746 3.324 20 10 BGCDMN CC(C)([NH2+]Cc1cc(F)ccc1[O-])C1CCC1 ZINC000398057182 711400764 /nfs/dbraw/zinc/40/07/64/711400764.db2.gz ZFZIWLSRBZOEBM-UHFFFAOYSA-N 0 1 237.318 3.200 20 10 BGCDMN [O-]c1cccc(Cl)c1C[NH+]1C2CCC1CC2 ZINC000398865650 711415773 /nfs/dbraw/zinc/41/57/73/711415773.db2.gz CBBFHGSUTWTPCY-UHFFFAOYSA-N 0 1 237.730 3.172 20 10 BGCDMN [O-]c1ccc(Cl)cc1C[NH+]1C2CCC1CC2 ZINC000398935304 711742101 /nfs/dbraw/zinc/74/21/01/711742101.db2.gz ZXEPENPLEDZJRE-UHFFFAOYSA-N 0 1 237.730 3.172 20 10 BGCDMN [O-]c1cccc(Cl)c1C[NH2+]CC1CC=CC1 ZINC000527751657 387692628 /nfs/dbraw/zinc/69/26/28/387692628.db2.gz XSVYWOZOOKBYQC-UHFFFAOYSA-N 0 1 237.730 3.101 20 10 BGCDMN [O-]c1ccc(Cl)cc1C[NH2+]CC1CC=CC1 ZINC000527751741 387692088 /nfs/dbraw/zinc/69/20/88/387692088.db2.gz YXDRKPVSASBYIK-UHFFFAOYSA-N 0 1 237.730 3.101 20 10 BGCDMN C[C@H]([NH2+]CC1CC=CC1)c1cc(F)ccc1[O-] ZINC000527947436 323724097 /nfs/dbraw/zinc/72/40/97/323724097.db2.gz IUXBIJWACNHCPW-JTQLQIEISA-N 0 1 235.302 3.148 20 10 BGCDMN C[C@@H]([NH2+]CC1CC=CC1)c1cc(F)ccc1[O-] ZINC000527947438 323724153 /nfs/dbraw/zinc/72/41/53/323724153.db2.gz IUXBIJWACNHCPW-SNVBAGLBSA-N 0 1 235.302 3.148 20 10 BGCDMN CC1CC(C[NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000700795645 711852497 /nfs/dbraw/zinc/85/24/97/711852497.db2.gz WDLVFFFYOFNXCW-UHFFFAOYSA-N 0 1 239.746 3.181 20 10 BGCDMN CC1([NH2+]Cc2cc(Cl)ccc2[O-])CC=CC1 ZINC000702112985 712039563 /nfs/dbraw/zinc/03/95/63/712039563.db2.gz DJQBFLJLSZMJNZ-UHFFFAOYSA-N 0 1 237.730 3.244 20 10 BGCDMN [O-]c1cccc(Cl)c1C[NH2+]CC1=CCCC1 ZINC000702375523 712049132 /nfs/dbraw/zinc/04/91/32/712049132.db2.gz OKCSCEHBOUXAPP-UHFFFAOYSA-N 0 1 237.730 3.246 20 10 BGCDMN C[C@@H]1CCCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000703199996 712067623 /nfs/dbraw/zinc/06/76/23/712067623.db2.gz NSCVJHLDTOYUGP-LLVKDONJSA-N 0 1 237.318 3.153 20 10 BGCDMN C[C@H]1CCCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000703200000 712067792 /nfs/dbraw/zinc/06/77/92/712067792.db2.gz NSCVJHLDTOYUGP-NSHDSACASA-N 0 1 237.318 3.153 20 10 BGCDMN Oc1c(CNc2ccccc2)ccc(F)c1F ZINC000703306629 712072048 /nfs/dbraw/zinc/07/20/48/712072048.db2.gz BJAZUNNIRABKEJ-UHFFFAOYSA-N 0 1 235.233 3.283 20 10 BGCDMN CC1(C)CCC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000703481043 712076654 /nfs/dbraw/zinc/07/66/54/712076654.db2.gz DIWGKLOFARVODN-UHFFFAOYSA-N 0 1 241.281 3.045 20 10 BGCDMN C[N@@H+](Cc1ccc(F)c(F)c1[O-])C1CCCC1 ZINC000703482442 712076714 /nfs/dbraw/zinc/07/67/14/712076714.db2.gz LOANNHIHJIMYOW-UHFFFAOYSA-N 0 1 241.281 3.045 20 10 BGCDMN CC[C@H]1CCC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000703484338 712076384 /nfs/dbraw/zinc/07/63/84/712076384.db2.gz XIHAOEVJZSFXAM-JTQLQIEISA-N 0 1 241.281 3.045 20 10 BGCDMN CC[C@@H]1CCC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000703484339 712076373 /nfs/dbraw/zinc/07/63/73/712076373.db2.gz XIHAOEVJZSFXAM-SNVBAGLBSA-N 0 1 241.281 3.045 20 10 BGCDMN C[C@@H]1CCCC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000703489242 712077231 /nfs/dbraw/zinc/07/72/31/712077231.db2.gz FXQFTWNEFKNBMM-SECBINFHSA-N 0 1 241.281 3.045 20 10 BGCDMN C[C@H]1CCCC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000703489244 712077119 /nfs/dbraw/zinc/07/71/19/712077119.db2.gz FXQFTWNEFKNBMM-VIFPVBQESA-N 0 1 241.281 3.045 20 10 BGCDMN C[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000703503766 712077518 /nfs/dbraw/zinc/07/75/18/712077518.db2.gz VBYBWQYDOHXOOA-DTORHVGOSA-N 0 1 241.281 3.043 20 10 BGCDMN CC(C)[C@@H](C)[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000703504489 712077174 /nfs/dbraw/zinc/07/71/74/712077174.db2.gz YWRMPCOGULHIMW-SECBINFHSA-N 0 1 243.297 3.147 20 10 BGCDMN CC(C)[C@H](C)[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000703504492 712077287 /nfs/dbraw/zinc/07/72/87/712077287.db2.gz YWRMPCOGULHIMW-VIFPVBQESA-N 0 1 243.297 3.147 20 10 BGCDMN CCC(C)(C)[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000703519334 712077935 /nfs/dbraw/zinc/07/79/35/712077935.db2.gz VHMSMLWRESNAPY-UHFFFAOYSA-N 0 1 243.297 3.291 20 10 BGCDMN [O-]c1ccc(Cl)cc1C[NH2+]CC1=CCCC1 ZINC000705408812 712131485 /nfs/dbraw/zinc/13/14/85/712131485.db2.gz ZTYMCALDRTWSOY-UHFFFAOYSA-N 0 1 237.730 3.246 20 10 BGCDMN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1CCCC12CC2 ZINC000706277685 712142841 /nfs/dbraw/zinc/14/28/41/712142841.db2.gz HLZBUKMLBHQPHF-GFCCVEGCSA-N 0 1 249.329 3.201 20 10 BGCDMN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1CCCC12CC2 ZINC000706277687 712142680 /nfs/dbraw/zinc/14/26/80/712142680.db2.gz HLZBUKMLBHQPHF-LBPRGKRZSA-N 0 1 249.329 3.201 20 10 BGCDMN CC1(C)C[C@@]1(C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000706499381 712147185 /nfs/dbraw/zinc/14/71/85/712147185.db2.gz LEPAFMZDUHSMBZ-CYBMUJFWSA-N 0 1 239.746 3.324 20 10 BGCDMN CC1(C)C[C@]1(C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000706499382 712148191 /nfs/dbraw/zinc/14/81/91/712148191.db2.gz LEPAFMZDUHSMBZ-ZDUSSCGKSA-N 0 1 239.746 3.324 20 10 BGCDMN C[C@@H]([NH2+][C@H](C)C1(C)CC1)c1cc(F)ccc1[O-] ZINC000706942396 712162563 /nfs/dbraw/zinc/16/25/63/712162563.db2.gz NJCORHNINGMMDL-NXEZZACHSA-N 0 1 237.318 3.371 20 10 BGCDMN C[C@H]([NH2+][C@@H](C)C1(C)CC1)c1cc(F)ccc1[O-] ZINC000706942401 712162498 /nfs/dbraw/zinc/16/24/98/712162498.db2.gz NJCORHNINGMMDL-UWVGGRQHSA-N 0 1 237.318 3.371 20 10 BGCDMN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])C1(C)CC1 ZINC000706942403 712162285 /nfs/dbraw/zinc/16/22/85/712162285.db2.gz NJCORHNINGMMDL-VHSXEESVSA-N 0 1 237.318 3.371 20 10 BGCDMN C[C@@H]([NH2+][C@@H](C)C1(C)CC1)c1cc(F)ccc1[O-] ZINC000706942407 712162379 /nfs/dbraw/zinc/16/23/79/712162379.db2.gz NJCORHNINGMMDL-ZJUUUORDSA-N 0 1 237.318 3.371 20 10 BGCDMN C[C@@H]1CC[C@H](C)[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000708385307 712191871 /nfs/dbraw/zinc/19/18/71/712191871.db2.gz RHYCJAWXZMBMID-DTORHVGOSA-N 0 1 241.281 3.043 20 10 BGCDMN CC[C@@H]1CCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000708400855 712192962 /nfs/dbraw/zinc/19/29/62/712192962.db2.gz QAJGVQRCEBBLEP-LLVKDONJSA-N 0 1 241.281 3.045 20 10 BGCDMN CC[C@H]1CCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000708400856 712192664 /nfs/dbraw/zinc/19/26/64/712192664.db2.gz QAJGVQRCEBBLEP-NSHDSACASA-N 0 1 241.281 3.045 20 10 BGCDMN CC1(C)CCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000708401424 712192439 /nfs/dbraw/zinc/19/24/39/712192439.db2.gz RZYJAANQSJXLSW-UHFFFAOYSA-N 0 1 241.281 3.045 20 10 BGCDMN C[C@@H]1CCCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000708412338 712194182 /nfs/dbraw/zinc/19/41/82/712194182.db2.gz GYONJNUZTZJCLI-SECBINFHSA-N 0 1 241.281 3.045 20 10 BGCDMN C[C@H]1CCCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000708412341 712193560 /nfs/dbraw/zinc/19/35/60/712193560.db2.gz GYONJNUZTZJCLI-VIFPVBQESA-N 0 1 241.281 3.045 20 10 BGCDMN C[N@@H+](Cc1cc(F)cc(F)c1[O-])C1CCCC1 ZINC000708412981 712193547 /nfs/dbraw/zinc/19/35/47/712193547.db2.gz KFQIXSZJUYHDIK-UHFFFAOYSA-N 0 1 241.281 3.045 20 10 BGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@]12C[C@H]1CCC2 ZINC000710368416 712253186 /nfs/dbraw/zinc/25/31/86/712253186.db2.gz KHEXGGWMRCBTAA-ZWNOBZJWSA-N 0 1 237.730 3.078 20 10 BGCDMN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1CCC[C@H]2C[C@H]21 ZINC000710632189 712264244 /nfs/dbraw/zinc/26/42/44/712264244.db2.gz BAEDIZLWHVRKRM-COPLHBTASA-N 0 1 249.329 3.057 20 10 BGCDMN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000710632200 712264014 /nfs/dbraw/zinc/26/40/14/712264014.db2.gz BAEDIZLWHVRKRM-SUNKGSAMSA-N 0 1 249.329 3.057 20 10 BGCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H]1C=CCC1 ZINC000711748080 712323809 /nfs/dbraw/zinc/32/38/09/712323809.db2.gz FNQSLXQSKCCUBW-JTQLQIEISA-N 0 1 237.730 3.101 20 10 BGCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H]1C=CCC1 ZINC000711748081 712324385 /nfs/dbraw/zinc/32/43/85/712324385.db2.gz FNQSLXQSKCCUBW-SNVBAGLBSA-N 0 1 237.730 3.101 20 10 BGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@H]1C=CCC1 ZINC000711749957 712324067 /nfs/dbraw/zinc/32/40/67/712324067.db2.gz MQKVVSKCSHZCBB-JTQLQIEISA-N 0 1 237.730 3.101 20 10 BGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H]1C=CCC1 ZINC000711749961 712323958 /nfs/dbraw/zinc/32/39/58/712323958.db2.gz MQKVVSKCSHZCBB-SNVBAGLBSA-N 0 1 237.730 3.101 20 10 BGCDMN [O-]c1ccc(F)cc1C[NH2+]C1CCC=CCC1 ZINC000718125345 712745825 /nfs/dbraw/zinc/74/58/25/712745825.db2.gz WCIMCZRIMSCPGI-UHFFFAOYSA-N 0 1 235.302 3.120 20 10 BGCDMN C[N@@H+](Cc1ccccc1[O-])C1(C)CCCC1 ZINC000720374547 712836590 /nfs/dbraw/zinc/83/65/90/712836590.db2.gz PDRFFDDYYUXOLZ-UHFFFAOYSA-N 0 1 219.328 3.157 20 10 BGCDMN C[N@H+](Cc1ccccc1[O-])C1(C)CCCC1 ZINC000720374547 712836589 /nfs/dbraw/zinc/83/65/89/712836589.db2.gz PDRFFDDYYUXOLZ-UHFFFAOYSA-N 0 1 219.328 3.157 20 10 BGCDMN CCC[N@@H+](CC)Cc1c([O-])ccc2ccncc21 ZINC000727821393 583777709 /nfs/dbraw/zinc/77/77/09/583777709.db2.gz ZARBCASPSPNAAA-UHFFFAOYSA-N 0 1 244.338 3.172 20 10 BGCDMN CCC[N@H+](CC)Cc1c([O-])ccc2ccncc21 ZINC000727821393 583777707 /nfs/dbraw/zinc/77/77/07/583777707.db2.gz ZARBCASPSPNAAA-UHFFFAOYSA-N 0 1 244.338 3.172 20 10 BGCDMN CCC[N@@H+](CCC1CC1)Cc1ccccc1[O-] ZINC000743870044 582860831 /nfs/dbraw/zinc/86/08/31/582860831.db2.gz FWJXQGKSWFZKPN-UHFFFAOYSA-N 0 1 233.355 3.404 20 10 BGCDMN CCC[N@H+](CCC1CC1)Cc1ccccc1[O-] ZINC000743870044 582860829 /nfs/dbraw/zinc/86/08/29/582860829.db2.gz FWJXQGKSWFZKPN-UHFFFAOYSA-N 0 1 233.355 3.404 20 10 BGCDMN CC(C)C[N@@H+](C)Cc1c([O-])ccc2ccncc21 ZINC000744152094 585144560 /nfs/dbraw/zinc/14/45/60/585144560.db2.gz XQLIWRIPYQXBJL-UHFFFAOYSA-N 0 1 244.338 3.028 20 10 BGCDMN CC(C)C[N@H+](C)Cc1c([O-])ccc2ccncc21 ZINC000744152094 585144559 /nfs/dbraw/zinc/14/45/59/585144559.db2.gz XQLIWRIPYQXBJL-UHFFFAOYSA-N 0 1 244.338 3.028 20 10 BGCDMN C[C@H]1C[N@@H+](Cc2ccccc2[O-])CC(C)(C)C1 ZINC000753575506 585262249 /nfs/dbraw/zinc/26/22/49/585262249.db2.gz JXJYHXVSIMBJSI-GFCCVEGCSA-N 0 1 233.355 3.260 20 10 BGCDMN C[C@H]1C[N@H+](Cc2ccccc2[O-])CC(C)(C)C1 ZINC000753575506 585262248 /nfs/dbraw/zinc/26/22/48/585262248.db2.gz JXJYHXVSIMBJSI-GFCCVEGCSA-N 0 1 233.355 3.260 20 10 BGCDMN C[C@@H]1C[N@@H+](Cc2ccccc2[O-])CC(C)(C)C1 ZINC000753575508 641325471 /nfs/dbraw/zinc/32/54/71/641325471.db2.gz JXJYHXVSIMBJSI-LBPRGKRZSA-N 0 1 233.355 3.260 20 10 BGCDMN C[C@@H]1C[N@H+](Cc2ccccc2[O-])CC(C)(C)C1 ZINC000753575508 641325467 /nfs/dbraw/zinc/32/54/67/641325467.db2.gz JXJYHXVSIMBJSI-LBPRGKRZSA-N 0 1 233.355 3.260 20 10 BGCDMN CCC[N@H+](Cc1ccccc1[O-])C[C@H]1C[C@@H]1C ZINC000754099881 585278177 /nfs/dbraw/zinc/27/81/77/585278177.db2.gz BUAGCYVBXFFURS-GXTWGEPZSA-N 0 1 233.355 3.260 20 10 BGCDMN CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1C[C@@H]1C ZINC000754099881 585278176 /nfs/dbraw/zinc/27/81/76/585278176.db2.gz BUAGCYVBXFFURS-GXTWGEPZSA-N 0 1 233.355 3.260 20 10 BGCDMN CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1C[C@@H]1C ZINC000754099883 585278452 /nfs/dbraw/zinc/27/84/52/585278452.db2.gz BUAGCYVBXFFURS-JSGCOSHPSA-N 0 1 233.355 3.260 20 10 BGCDMN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1C[C@@H]1C ZINC000754099883 585278451 /nfs/dbraw/zinc/27/84/51/585278451.db2.gz BUAGCYVBXFFURS-JSGCOSHPSA-N 0 1 233.355 3.260 20 10 BGCDMN CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1C[C@H]1C ZINC000754099885 585278216 /nfs/dbraw/zinc/27/82/16/585278216.db2.gz BUAGCYVBXFFURS-OCCSQVGLSA-N 0 1 233.355 3.260 20 10 BGCDMN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1C[C@H]1C ZINC000754099885 585278215 /nfs/dbraw/zinc/27/82/15/585278215.db2.gz BUAGCYVBXFFURS-OCCSQVGLSA-N 0 1 233.355 3.260 20 10 BGCDMN CCC[N@H+](Cc1ccccc1[O-])C[C@H]1C[C@H]1C ZINC000754099887 585278248 /nfs/dbraw/zinc/27/82/48/585278248.db2.gz BUAGCYVBXFFURS-TZMCWYRMSA-N 0 1 233.355 3.260 20 10 BGCDMN CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1C[C@H]1C ZINC000754099887 585278247 /nfs/dbraw/zinc/27/82/47/585278247.db2.gz BUAGCYVBXFFURS-TZMCWYRMSA-N 0 1 233.355 3.260 20 10 BGCDMN CC1=CC[N@@H+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000755766853 585306475 /nfs/dbraw/zinc/30/64/75/585306475.db2.gz GLCZYISAPVVTSU-UHFFFAOYSA-N 0 1 243.350 3.033 20 10 BGCDMN CC(C)C[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756345889 644624722 /nfs/dbraw/zinc/62/47/22/644624722.db2.gz ZOBGWUXSOUPULN-GXSJLCMTSA-N 0 1 237.318 3.325 20 10 BGCDMN CC(C)C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756345890 644624791 /nfs/dbraw/zinc/62/47/91/644624791.db2.gz ZOBGWUXSOUPULN-KOLCDFICSA-N 0 1 237.318 3.325 20 10 BGCDMN CC(C)C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756345893 644625265 /nfs/dbraw/zinc/62/52/65/644625265.db2.gz ZOBGWUXSOUPULN-MWLCHTKSSA-N 0 1 237.318 3.325 20 10 BGCDMN CC(C)C[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756345896 644625519 /nfs/dbraw/zinc/62/55/19/644625519.db2.gz ZOBGWUXSOUPULN-ONGXEEELSA-N 0 1 237.318 3.325 20 10 BGCDMN C[C@H]1C[C@@H]([NH2+]CC2(C)CC2)c2c1c(F)ccc2[O-] ZINC000756737918 644629528 /nfs/dbraw/zinc/62/95/28/644629528.db2.gz ZFPLCBDOKBVRAD-GXSJLCMTSA-N 0 1 249.329 3.469 20 10 BGCDMN C[C@@H]1C[C@H]([NH2+]CC2(C)CC2)c2c1c(F)ccc2[O-] ZINC000756737923 644629392 /nfs/dbraw/zinc/62/93/92/644629392.db2.gz ZFPLCBDOKBVRAD-KOLCDFICSA-N 0 1 249.329 3.469 20 10 BGCDMN C[C@@H]1C[C@@H]([NH2+]CC2(C)CC2)c2c1c(F)ccc2[O-] ZINC000756737926 644629922 /nfs/dbraw/zinc/62/99/22/644629922.db2.gz ZFPLCBDOKBVRAD-MWLCHTKSSA-N 0 1 249.329 3.469 20 10 BGCDMN C[C@H]1C[C@H]([NH2+]CC2(C)CC2)c2c1c(F)ccc2[O-] ZINC000756737930 644629292 /nfs/dbraw/zinc/62/92/92/644629292.db2.gz ZFPLCBDOKBVRAD-ONGXEEELSA-N 0 1 249.329 3.469 20 10 BGCDMN C[C@@H]1CC[N@@H+](Cc2ccccc2[O-])CC1(C)C ZINC000761225889 585412599 /nfs/dbraw/zinc/41/25/99/585412599.db2.gz MHUHDZXAWFEFIO-GFCCVEGCSA-N 0 1 233.355 3.260 20 10 BGCDMN C[C@@H]1CC[N@H+](Cc2ccccc2[O-])CC1(C)C ZINC000761225889 585412598 /nfs/dbraw/zinc/41/25/98/585412598.db2.gz MHUHDZXAWFEFIO-GFCCVEGCSA-N 0 1 233.355 3.260 20 10 BGCDMN C[C@H]1CC[N@@H+](Cc2ccccc2[O-])CC1(C)C ZINC000761225891 585412545 /nfs/dbraw/zinc/41/25/45/585412545.db2.gz MHUHDZXAWFEFIO-LBPRGKRZSA-N 0 1 233.355 3.260 20 10 BGCDMN C[C@H]1CC[N@H+](Cc2ccccc2[O-])CC1(C)C ZINC000761225891 585412544 /nfs/dbraw/zinc/41/25/44/585412544.db2.gz MHUHDZXAWFEFIO-LBPRGKRZSA-N 0 1 233.355 3.260 20 10 BGCDMN COc1cccc(O)c1C[N@@H+](C)C1CCCCC1 ZINC000768138519 585532989 /nfs/dbraw/zinc/53/29/89/585532989.db2.gz NKBKJKKVBSGVQQ-UHFFFAOYSA-N 0 1 249.354 3.165 20 10 BGCDMN CCOc1ccc(C[N@H+]2CCC[C@@H](C)C2)c(O)c1 ZINC000768140188 585532720 /nfs/dbraw/zinc/53/27/20/585532720.db2.gz WIIODDCGYTVFGJ-GFCCVEGCSA-N 0 1 249.354 3.023 20 10 BGCDMN CCOc1ccc(C[N@H+]2CCC[C@H](C)C2)c(O)c1 ZINC000768140189 585532755 /nfs/dbraw/zinc/53/27/55/585532755.db2.gz WIIODDCGYTVFGJ-LBPRGKRZSA-N 0 1 249.354 3.023 20 10 BGCDMN CCCC[N@@H+](C)Cc1ccc(OCC)cc1O ZINC000768142070 585532651 /nfs/dbraw/zinc/53/26/51/585532651.db2.gz FNUFTFHWBNEDPC-UHFFFAOYSA-N 0 1 237.343 3.023 20 10 BGCDMN CCCC[N@@H+](CC)Cc1c(O)cccc1OC ZINC000768142293 585532751 /nfs/dbraw/zinc/53/27/51/585532751.db2.gz AGSSDPVDBZUQKS-UHFFFAOYSA-N 0 1 237.343 3.023 20 10 BGCDMN CCOc1ccc(C[N@@H+](C)C2CCCC2)c([O-])c1 ZINC000768213982 585534193 /nfs/dbraw/zinc/53/41/93/585534193.db2.gz DEJIKLASDMLAOL-UHFFFAOYSA-N 0 1 249.354 3.165 20 10 BGCDMN CCOc1ccc(C[N@H+](C)C2CCCC2)c([O-])c1 ZINC000768213982 585534192 /nfs/dbraw/zinc/53/41/92/585534192.db2.gz DEJIKLASDMLAOL-UHFFFAOYSA-N 0 1 249.354 3.165 20 10 BGCDMN CCCC[N@@H+](Cc1c(O)cccc1OC)C1CC1 ZINC000768292198 585535435 /nfs/dbraw/zinc/53/54/35/585535435.db2.gz XIFIPAAEXRCSEX-UHFFFAOYSA-N 0 1 249.354 3.165 20 10 BGCDMN CCC[N@@H+](Cc1ccc(OCC)cc1O)C1CC1 ZINC000768292260 585535525 /nfs/dbraw/zinc/53/55/25/585535525.db2.gz YGCAPOGUHINFHZ-UHFFFAOYSA-N 0 1 249.354 3.165 20 10 BGCDMN CC[N@@H+](Cc1c(O)cccc1OC)C1CCCC1 ZINC000768335469 585535773 /nfs/dbraw/zinc/53/57/73/585535773.db2.gz QFLKWNOYAIVMKZ-UHFFFAOYSA-N 0 1 249.354 3.165 20 10 BGCDMN CCOc1ccc(C[N@@H+](C)[C@H](C)CC)c(O)c1 ZINC000768340003 585536123 /nfs/dbraw/zinc/53/61/23/585536123.db2.gz YIKQTMBCOMMWSK-LLVKDONJSA-N 0 1 237.343 3.021 20 10 BGCDMN CCOc1ccc(C[N@@H+](C)[C@@H](C)CC)c(O)c1 ZINC000768340004 585536201 /nfs/dbraw/zinc/53/62/01/585536201.db2.gz YIKQTMBCOMMWSK-NSHDSACASA-N 0 1 237.343 3.021 20 10 BGCDMN CCC[C@@H](C)[N@@H+](C)Cc1c(O)cccc1OC ZINC000768340062 585536156 /nfs/dbraw/zinc/53/61/56/585536156.db2.gz ZIEYGQXAXULIRC-LLVKDONJSA-N 0 1 237.343 3.021 20 10 BGCDMN CCC[C@H](C)[N@@H+](C)Cc1c(O)cccc1OC ZINC000768340063 585536141 /nfs/dbraw/zinc/53/61/41/585536141.db2.gz ZIEYGQXAXULIRC-NSHDSACASA-N 0 1 237.343 3.021 20 10 BGCDMN CCOc1ccc(C[N@@H+](C)[C@H](C)C2CC2)c([O-])c1 ZINC000768423054 585538535 /nfs/dbraw/zinc/53/85/35/585538535.db2.gz XACRJBAXSBMHHP-LLVKDONJSA-N 0 1 249.354 3.021 20 10 BGCDMN CCOc1ccc(C[N@H+](C)[C@H](C)C2CC2)c([O-])c1 ZINC000768423054 585538534 /nfs/dbraw/zinc/53/85/34/585538534.db2.gz XACRJBAXSBMHHP-LLVKDONJSA-N 0 1 249.354 3.021 20 10 BGCDMN CCOc1ccc(C[N@@H+](C)[C@H](C)C2CC2)c(O)c1 ZINC000768423054 585538533 /nfs/dbraw/zinc/53/85/33/585538533.db2.gz XACRJBAXSBMHHP-LLVKDONJSA-N 0 1 249.354 3.021 20 10 BGCDMN CCOc1ccc(C[N@@H+](C)[C@@H](C)C2CC2)c([O-])c1 ZINC000768423056 585538659 /nfs/dbraw/zinc/53/86/59/585538659.db2.gz XACRJBAXSBMHHP-NSHDSACASA-N 0 1 249.354 3.021 20 10 BGCDMN CCOc1ccc(C[N@H+](C)[C@@H](C)C2CC2)c([O-])c1 ZINC000768423056 585538658 /nfs/dbraw/zinc/53/86/58/585538658.db2.gz XACRJBAXSBMHHP-NSHDSACASA-N 0 1 249.354 3.021 20 10 BGCDMN CCOc1ccc(C[N@@H+](C)[C@@H](C)C2CC2)c(O)c1 ZINC000768423056 585538657 /nfs/dbraw/zinc/53/86/57/585538657.db2.gz XACRJBAXSBMHHP-NSHDSACASA-N 0 1 249.354 3.021 20 10 BGCDMN CCOc1ccc(C[N@H+]2CCC[C@H]2CC)c(O)c1 ZINC000769010850 585547403 /nfs/dbraw/zinc/54/74/03/585547403.db2.gz WELKFBPNMMSXDK-CYBMUJFWSA-N 0 1 249.354 3.165 20 10 BGCDMN CCOc1ccc(C[N@H+]2CCC[C@@H]2CC)c(O)c1 ZINC000769010851 585547556 /nfs/dbraw/zinc/54/75/56/585547556.db2.gz WELKFBPNMMSXDK-ZDUSSCGKSA-N 0 1 249.354 3.165 20 10 BGCDMN CCOc1ccc(O)c(C[N@H+]2CCC[C@H]2CC)c1 ZINC000769011670 585547532 /nfs/dbraw/zinc/54/75/32/585547532.db2.gz ZPKNUCYZFJZNFB-CYBMUJFWSA-N 0 1 249.354 3.165 20 10 BGCDMN CCOc1ccc(O)c(C[N@H+]2CCC[C@@H]2CC)c1 ZINC000769011671 585547446 /nfs/dbraw/zinc/54/74/46/585547446.db2.gz ZPKNUCYZFJZNFB-ZDUSSCGKSA-N 0 1 249.354 3.165 20 10 BGCDMN COc1cccc(O)c1C[N@H+]1CCC[C@@H](C)CC1 ZINC000769148622 585550184 /nfs/dbraw/zinc/55/01/84/585550184.db2.gz PPDDANDEZXJOIC-GFCCVEGCSA-N 0 1 249.354 3.023 20 10 BGCDMN COc1cccc(O)c1C[N@H+]1CCC[C@H](C)CC1 ZINC000769148623 585550025 /nfs/dbraw/zinc/55/00/25/585550025.db2.gz PPDDANDEZXJOIC-LBPRGKRZSA-N 0 1 249.354 3.023 20 10 BGCDMN COc1cccc(O)c1C[N@@H+](C)CC1CCCC1 ZINC000769192487 585550847 /nfs/dbraw/zinc/55/08/47/585550847.db2.gz UEPHISMNHMYOHW-UHFFFAOYSA-N 0 1 249.354 3.023 20 10 BGCDMN CCOc1ccc(C[N@H+]2CCCC2(C)C)c(O)c1 ZINC000769246262 585551453 /nfs/dbraw/zinc/55/14/53/585551453.db2.gz YVHFISDVRBEZQF-UHFFFAOYSA-N 0 1 249.354 3.165 20 10 BGCDMN COc1cccc([O-])c1C[N@H+]1CCCCC[C@H]1C ZINC000769403229 585555578 /nfs/dbraw/zinc/55/55/78/585555578.db2.gz AZZDWLPHJNYLLE-GFCCVEGCSA-N 0 1 249.354 3.165 20 10 BGCDMN COc1cccc([O-])c1C[N@@H+]1CCCCC[C@H]1C ZINC000769403229 585555577 /nfs/dbraw/zinc/55/55/77/585555577.db2.gz AZZDWLPHJNYLLE-GFCCVEGCSA-N 0 1 249.354 3.165 20 10 BGCDMN COc1cccc([O-])c1C[N@H+]1CCCCC[C@@H]1C ZINC000769403232 585555542 /nfs/dbraw/zinc/55/55/42/585555542.db2.gz AZZDWLPHJNYLLE-LBPRGKRZSA-N 0 1 249.354 3.165 20 10 BGCDMN COc1cccc([O-])c1C[N@@H+]1CCCCC[C@@H]1C ZINC000769403232 585555541 /nfs/dbraw/zinc/55/55/41/585555541.db2.gz AZZDWLPHJNYLLE-LBPRGKRZSA-N 0 1 249.354 3.165 20 10 BGCDMN CCOc1ccc(C[N@@H+](CC)CC2CC2)c([O-])c1 ZINC000769404585 585555500 /nfs/dbraw/zinc/55/55/00/585555500.db2.gz LMNDKWJJINKAAD-UHFFFAOYSA-N 0 1 249.354 3.023 20 10 BGCDMN CCOc1ccc(C[N@H+](CC)CC2CC2)c([O-])c1 ZINC000769404585 585555499 /nfs/dbraw/zinc/55/54/99/585555499.db2.gz LMNDKWJJINKAAD-UHFFFAOYSA-N 0 1 249.354 3.023 20 10 BGCDMN CC1=CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000769445603 585556586 /nfs/dbraw/zinc/55/65/86/585556586.db2.gz HPWDAEOELCOTTM-UHFFFAOYSA-N 0 1 248.345 3.044 20 10 BGCDMN CC1(C)CC[N@H+]1Cc1c([O-])cccc1Cl ZINC000769446562 585556776 /nfs/dbraw/zinc/55/67/76/585556776.db2.gz RMTUEWCQRZTHLY-UHFFFAOYSA-N 0 1 225.719 3.030 20 10 BGCDMN CC1(C)CC[N@@H+]1Cc1c([O-])cccc1Cl ZINC000769446562 585556775 /nfs/dbraw/zinc/55/67/75/585556775.db2.gz RMTUEWCQRZTHLY-UHFFFAOYSA-N 0 1 225.719 3.030 20 10 BGCDMN CC1=CC[N@@H+](Cc2c([O-])cccc2Cl)CC1 ZINC000769447626 585556809 /nfs/dbraw/zinc/55/68/09/585556809.db2.gz TWPNRNKLCBDXEX-UHFFFAOYSA-N 0 1 237.730 3.198 20 10 BGCDMN CC1=CC[N@H+](Cc2c([O-])cccc2Cl)CC1 ZINC000769447626 585556808 /nfs/dbraw/zinc/55/68/08/585556808.db2.gz TWPNRNKLCBDXEX-UHFFFAOYSA-N 0 1 237.730 3.198 20 10 BGCDMN CC1=CC[N@@H+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000769447891 585556725 /nfs/dbraw/zinc/55/67/25/585556725.db2.gz ZVHFMRNNFSGDTD-UHFFFAOYSA-N 0 1 237.730 3.198 20 10 BGCDMN CC1=CC[N@H+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000769447891 585556724 /nfs/dbraw/zinc/55/67/24/585556724.db2.gz ZVHFMRNNFSGDTD-UHFFFAOYSA-N 0 1 237.730 3.198 20 10 BGCDMN CC[N@@H+](Cc1cc(C)ccc1O)C1CCC1 ZINC000769465886 585557661 /nfs/dbraw/zinc/55/76/61/585557661.db2.gz GANWZOPTYFQAGX-UHFFFAOYSA-N 0 1 219.328 3.075 20 10 BGCDMN CC[N@@H+](Cc1c([O-])cccc1Cl)C1CCC1 ZINC000769466944 584966156 /nfs/dbraw/zinc/96/61/56/584966156.db2.gz QAFPICPWIDXZCO-UHFFFAOYSA-N 0 1 239.746 3.420 20 10 BGCDMN CC[N@H+](Cc1c([O-])cccc1Cl)C1CCC1 ZINC000769466944 584966155 /nfs/dbraw/zinc/96/61/55/584966155.db2.gz QAFPICPWIDXZCO-UHFFFAOYSA-N 0 1 239.746 3.420 20 10 BGCDMN CC[N@@H+](Cc1cc(Cl)ccc1[O-])C1CCC1 ZINC000769466977 585557794 /nfs/dbraw/zinc/55/77/94/585557794.db2.gz RNWVKVFRIVDYNW-UHFFFAOYSA-N 0 1 239.746 3.420 20 10 BGCDMN CC[N@H+](Cc1cc(Cl)ccc1[O-])C1CCC1 ZINC000769466977 585557793 /nfs/dbraw/zinc/55/77/93/585557793.db2.gz RNWVKVFRIVDYNW-UHFFFAOYSA-N 0 1 239.746 3.420 20 10 BGCDMN C[N@@H+](CCC1CC1)Cc1c([O-])cccc1Cl ZINC000770371676 584978231 /nfs/dbraw/zinc/97/82/31/584978231.db2.gz BLZADGOXIKAAEJ-UHFFFAOYSA-N 0 1 239.746 3.278 20 10 BGCDMN C[N@H+](CCC1CC1)Cc1c([O-])cccc1Cl ZINC000770371676 584978230 /nfs/dbraw/zinc/97/82/30/584978230.db2.gz BLZADGOXIKAAEJ-UHFFFAOYSA-N 0 1 239.746 3.278 20 10 BGCDMN CC(C)(C)[C@@H]1CCC[N@H+]1Cc1ccccc1[O-] ZINC000770506193 585575300 /nfs/dbraw/zinc/57/53/00/585575300.db2.gz YDZZJWZQTYRXBZ-AWEZNQCLSA-N 0 1 233.355 3.403 20 10 BGCDMN CC(C)(C)[C@@H]1CCC[N@@H+]1Cc1ccccc1[O-] ZINC000770506193 585575299 /nfs/dbraw/zinc/57/52/99/585575299.db2.gz YDZZJWZQTYRXBZ-AWEZNQCLSA-N 0 1 233.355 3.403 20 10 BGCDMN CC(C)(C)[C@@H]1CCC[N@H+]1Cc1ccccc1O ZINC000770506193 585575298 /nfs/dbraw/zinc/57/52/98/585575298.db2.gz YDZZJWZQTYRXBZ-AWEZNQCLSA-N 0 1 233.355 3.403 20 10 BGCDMN CC(C)(C)[C@H]1CCC[N@H+]1Cc1ccccc1[O-] ZINC000770506195 585575102 /nfs/dbraw/zinc/57/51/02/585575102.db2.gz YDZZJWZQTYRXBZ-CQSZACIVSA-N 0 1 233.355 3.403 20 10 BGCDMN CC(C)(C)[C@H]1CCC[N@@H+]1Cc1ccccc1[O-] ZINC000770506195 585575101 /nfs/dbraw/zinc/57/51/01/585575101.db2.gz YDZZJWZQTYRXBZ-CQSZACIVSA-N 0 1 233.355 3.403 20 10 BGCDMN CC(C)(C)[C@H]1CCC[N@H+]1Cc1ccccc1O ZINC000770506195 585575100 /nfs/dbraw/zinc/57/51/00/585575100.db2.gz YDZZJWZQTYRXBZ-CQSZACIVSA-N 0 1 233.355 3.403 20 10 BGCDMN CC[N@@H+](Cc1ccoc1)Cc1ccccc1O ZINC000770509606 585574976 /nfs/dbraw/zinc/57/49/76/585574976.db2.gz DXVJNDDZWUMLAE-UHFFFAOYSA-N 0 1 231.295 3.007 20 10 BGCDMN [O-]c1ccccc1C[NH+](CC1CC1)CC1CC1 ZINC000770509615 585574990 /nfs/dbraw/zinc/57/49/90/585574990.db2.gz DYJNFFKFPGWIRW-UHFFFAOYSA-N 0 1 231.339 3.014 20 10 BGCDMN C[C@@H]1CCC[C@@H](C)[N@@H+](Cc2ccccc2[O-])C1 ZINC000770510841 585574999 /nfs/dbraw/zinc/57/49/99/585574999.db2.gz ROZNPMCYPNFYAG-CHWSQXEVSA-N 0 1 233.355 3.403 20 10 BGCDMN C[C@@H]1CCC[C@@H](C)[N@H+](Cc2ccccc2[O-])C1 ZINC000770510841 585574998 /nfs/dbraw/zinc/57/49/98/585574998.db2.gz ROZNPMCYPNFYAG-CHWSQXEVSA-N 0 1 233.355 3.403 20 10 BGCDMN C[C@@H]1CCC[C@@H](C)[N@@H+](Cc2ccccc2O)C1 ZINC000770510841 585574997 /nfs/dbraw/zinc/57/49/97/585574997.db2.gz ROZNPMCYPNFYAG-CHWSQXEVSA-N 0 1 233.355 3.403 20 10 BGCDMN C[C@@H]1CCC[C@H](C)[N@@H+](Cc2ccccc2[O-])C1 ZINC000770510842 585575108 /nfs/dbraw/zinc/57/51/08/585575108.db2.gz ROZNPMCYPNFYAG-OLZOCXBDSA-N 0 1 233.355 3.403 20 10 BGCDMN C[C@@H]1CCC[C@H](C)[N@H+](Cc2ccccc2[O-])C1 ZINC000770510842 585575107 /nfs/dbraw/zinc/57/51/07/585575107.db2.gz ROZNPMCYPNFYAG-OLZOCXBDSA-N 0 1 233.355 3.403 20 10 BGCDMN C[C@@H]1CCC[C@H](C)[N@@H+](Cc2ccccc2O)C1 ZINC000770510842 585575106 /nfs/dbraw/zinc/57/51/06/585575106.db2.gz ROZNPMCYPNFYAG-OLZOCXBDSA-N 0 1 233.355 3.403 20 10 BGCDMN C[C@@H]1CCC[C@H](C)C[N@@H+]1Cc1ccccc1[O-] ZINC000770510844 585574988 /nfs/dbraw/zinc/57/49/88/585574988.db2.gz ROZNPMCYPNFYAG-QWHCGFSZSA-N 0 1 233.355 3.403 20 10 BGCDMN C[C@@H]1CCC[C@H](C)C[N@H+]1Cc1ccccc1[O-] ZINC000770510844 585574987 /nfs/dbraw/zinc/57/49/87/585574987.db2.gz ROZNPMCYPNFYAG-QWHCGFSZSA-N 0 1 233.355 3.403 20 10 BGCDMN C[C@@H]1CCC[C@H](C)C[N@@H+]1Cc1ccccc1O ZINC000770510844 585574986 /nfs/dbraw/zinc/57/49/86/585574986.db2.gz ROZNPMCYPNFYAG-QWHCGFSZSA-N 0 1 233.355 3.403 20 10 BGCDMN C[C@H]1CCC[C@H](C)[N@@H+](Cc2ccccc2[O-])C1 ZINC000770510846 585575350 /nfs/dbraw/zinc/57/53/50/585575350.db2.gz ROZNPMCYPNFYAG-STQMWFEESA-N 0 1 233.355 3.403 20 10 BGCDMN C[C@H]1CCC[C@H](C)[N@H+](Cc2ccccc2[O-])C1 ZINC000770510846 585575349 /nfs/dbraw/zinc/57/53/49/585575349.db2.gz ROZNPMCYPNFYAG-STQMWFEESA-N 0 1 233.355 3.403 20 10 BGCDMN C[C@H]1CCC[C@H](C)[N@@H+](Cc2ccccc2O)C1 ZINC000770510846 585575348 /nfs/dbraw/zinc/57/53/48/585575348.db2.gz ROZNPMCYPNFYAG-STQMWFEESA-N 0 1 233.355 3.403 20 10 BGCDMN CC[C@@]1(C)CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000770511084 585575069 /nfs/dbraw/zinc/57/50/69/585575069.db2.gz ZBRCKFXAJPWIEB-HNNXBMFYSA-N 0 1 233.355 3.404 20 10 BGCDMN CC[C@@]1(C)CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000770511084 585575068 /nfs/dbraw/zinc/57/50/68/585575068.db2.gz ZBRCKFXAJPWIEB-HNNXBMFYSA-N 0 1 233.355 3.404 20 10 BGCDMN CC[C@@]1(C)CCC[N@@H+](Cc2ccccc2O)C1 ZINC000770511084 585575067 /nfs/dbraw/zinc/57/50/67/585575067.db2.gz ZBRCKFXAJPWIEB-HNNXBMFYSA-N 0 1 233.355 3.404 20 10 BGCDMN CC[C@]1(C)CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000770511085 585575077 /nfs/dbraw/zinc/57/50/77/585575077.db2.gz ZBRCKFXAJPWIEB-OAHLLOKOSA-N 0 1 233.355 3.404 20 10 BGCDMN CC[C@]1(C)CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000770511085 585575076 /nfs/dbraw/zinc/57/50/76/585575076.db2.gz ZBRCKFXAJPWIEB-OAHLLOKOSA-N 0 1 233.355 3.404 20 10 BGCDMN CC[C@]1(C)CCC[N@@H+](Cc2ccccc2O)C1 ZINC000770511085 585575075 /nfs/dbraw/zinc/57/50/75/585575075.db2.gz ZBRCKFXAJPWIEB-OAHLLOKOSA-N 0 1 233.355 3.404 20 10 BGCDMN CCC[N@@H+](CC)Cc1cc(Cl)cc(F)c1[O-] ZINC000775634031 585682130 /nfs/dbraw/zinc/68/21/30/585682130.db2.gz NZFSXBXRUCYEPX-UHFFFAOYSA-N 0 1 245.725 3.417 20 10 BGCDMN CCCC[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775638273 585681861 /nfs/dbraw/zinc/68/18/61/585681861.db2.gz GULYXJNKNZIAGQ-UHFFFAOYSA-N 0 1 245.725 3.417 20 10 BGCDMN CC(C)[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775638532 585681896 /nfs/dbraw/zinc/68/18/96/585681896.db2.gz JYSVQFBLGQURPC-UHFFFAOYSA-N 0 1 231.698 3.025 20 10 BGCDMN CCC[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775647942 585682606 /nfs/dbraw/zinc/68/26/06/585682606.db2.gz IUHJVPFXYFPLND-UHFFFAOYSA-N 0 1 231.698 3.027 20 10 BGCDMN CC[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C(C)C ZINC000775648088 585682306 /nfs/dbraw/zinc/68/23/06/585682306.db2.gz QLUVVTUAMALUIT-UHFFFAOYSA-N 0 1 245.725 3.415 20 10 BGCDMN CC(C)C[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775649125 585682284 /nfs/dbraw/zinc/68/22/84/585682284.db2.gz LKQSPCFCPBDMKY-UHFFFAOYSA-N 0 1 245.725 3.273 20 10 BGCDMN CC[C@@H](C)[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775651595 585682427 /nfs/dbraw/zinc/68/24/27/585682427.db2.gz PFXVAZUQPUAGQS-MRVPVSSYSA-N 0 1 245.725 3.415 20 10 BGCDMN CC[C@H](C)[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775651596 585682411 /nfs/dbraw/zinc/68/24/11/585682411.db2.gz PFXVAZUQPUAGQS-QMMMGPOBSA-N 0 1 245.725 3.415 20 10 BGCDMN CC[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C1CC1 ZINC000775652506 585682275 /nfs/dbraw/zinc/68/22/75/585682275.db2.gz MEUXXFORYLGRKP-UHFFFAOYSA-N 0 1 243.709 3.169 20 10 BGCDMN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])CC1CC1 ZINC000775659073 585682329 /nfs/dbraw/zinc/68/23/29/585682329.db2.gz VETGAIVNTZFJKN-UHFFFAOYSA-N 0 1 243.709 3.027 20 10 BGCDMN C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775662324 585682723 /nfs/dbraw/zinc/68/27/23/585682723.db2.gz VJWXSDXCGRYRMM-MRVPVSSYSA-N 0 1 243.709 3.027 20 10 BGCDMN C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775662325 585682698 /nfs/dbraw/zinc/68/26/98/585682698.db2.gz VJWXSDXCGRYRMM-QMMMGPOBSA-N 0 1 243.709 3.027 20 10 BGCDMN C[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000775692947 585683150 /nfs/dbraw/zinc/68/31/50/585683150.db2.gz QZAKJKSLPBBACU-MRVPVSSYSA-N 0 1 243.709 3.169 20 10 BGCDMN C[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000775692949 585683071 /nfs/dbraw/zinc/68/30/71/585683071.db2.gz QZAKJKSLPBBACU-QMMMGPOBSA-N 0 1 243.709 3.169 20 10 BGCDMN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C1CCC1 ZINC000775702606 585683308 /nfs/dbraw/zinc/68/33/08/585683308.db2.gz BNSNOBKXYCMXBN-UHFFFAOYSA-N 0 1 243.709 3.169 20 10 BGCDMN CC1(C)CC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000775703159 585683589 /nfs/dbraw/zinc/68/35/89/585683589.db2.gz LAPDIZLPYBACPJ-UHFFFAOYSA-N 0 1 225.719 3.030 20 10 BGCDMN CC1(C)CC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000775703528 585683391 /nfs/dbraw/zinc/68/33/91/585683391.db2.gz RUWQCBGCKKLMHD-UHFFFAOYSA-N 0 1 243.709 3.169 20 10 BGCDMN CC[N@@H+](Cc1cccc(Cl)c1[O-])C1CCC1 ZINC000775712233 585683514 /nfs/dbraw/zinc/68/35/14/585683514.db2.gz NWDNPUDQXBXYEL-UHFFFAOYSA-N 0 1 239.746 3.420 20 10 BGCDMN CC(C)[C@H]1CC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000775762576 585684196 /nfs/dbraw/zinc/68/41/96/585684196.db2.gz ARYQDOABLZSBJO-GFCCVEGCSA-N 0 1 239.746 3.276 20 10 BGCDMN CC(C)[C@H]1CC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000775762576 585684195 /nfs/dbraw/zinc/68/41/95/585684195.db2.gz ARYQDOABLZSBJO-GFCCVEGCSA-N 0 1 239.746 3.276 20 10 BGCDMN CC(C)[C@@H]1CC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000775762578 585684042 /nfs/dbraw/zinc/68/40/42/585684042.db2.gz ARYQDOABLZSBJO-LBPRGKRZSA-N 0 1 239.746 3.276 20 10 BGCDMN CC(C)[C@@H]1CC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000775762578 585684041 /nfs/dbraw/zinc/68/40/41/585684041.db2.gz ARYQDOABLZSBJO-LBPRGKRZSA-N 0 1 239.746 3.276 20 10 BGCDMN CC(C)[C@H]1CC[N@H+]1Cc1c([O-])cccc1Cl ZINC000775762646 585683977 /nfs/dbraw/zinc/68/39/77/585683977.db2.gz CNOQLPJFOOXXOE-GFCCVEGCSA-N 0 1 239.746 3.276 20 10 BGCDMN CC(C)[C@H]1CC[N@@H+]1Cc1c([O-])cccc1Cl ZINC000775762646 585683976 /nfs/dbraw/zinc/68/39/76/585683976.db2.gz CNOQLPJFOOXXOE-GFCCVEGCSA-N 0 1 239.746 3.276 20 10 BGCDMN CC(C)[C@@H]1CC[N@H+]1Cc1c([O-])cccc1Cl ZINC000775762647 585684132 /nfs/dbraw/zinc/68/41/32/585684132.db2.gz CNOQLPJFOOXXOE-LBPRGKRZSA-N 0 1 239.746 3.276 20 10 BGCDMN CC(C)[C@@H]1CC[N@@H+]1Cc1c([O-])cccc1Cl ZINC000775762647 585684131 /nfs/dbraw/zinc/68/41/31/585684131.db2.gz CNOQLPJFOOXXOE-LBPRGKRZSA-N 0 1 239.746 3.276 20 10 BGCDMN CC(C)[C@H]1CC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000775763150 585684278 /nfs/dbraw/zinc/68/42/78/585684278.db2.gz DXBUZVFWNZSDGK-GFCCVEGCSA-N 0 1 239.746 3.276 20 10 BGCDMN CC(C)[C@@H]1CC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000775763153 585684091 /nfs/dbraw/zinc/68/40/91/585684091.db2.gz DXBUZVFWNZSDGK-LBPRGKRZSA-N 0 1 239.746 3.276 20 10 BGCDMN COc1cccc([O-])c1C[N@H+]1CCCC[C@@H](C)C1 ZINC000775999167 585689176 /nfs/dbraw/zinc/68/91/76/585689176.db2.gz UUMOOMNGKBHCAC-GFCCVEGCSA-N 0 1 249.354 3.023 20 10 BGCDMN COc1cccc([O-])c1C[N@@H+]1CCCC[C@@H](C)C1 ZINC000775999167 585689175 /nfs/dbraw/zinc/68/91/75/585689175.db2.gz UUMOOMNGKBHCAC-GFCCVEGCSA-N 0 1 249.354 3.023 20 10 BGCDMN COc1cccc([O-])c1C[N@H+]1CCCC[C@H](C)C1 ZINC000775999169 585689180 /nfs/dbraw/zinc/68/91/80/585689180.db2.gz UUMOOMNGKBHCAC-LBPRGKRZSA-N 0 1 249.354 3.023 20 10 BGCDMN COc1cccc([O-])c1C[N@@H+]1CCCC[C@H](C)C1 ZINC000775999169 585689179 /nfs/dbraw/zinc/68/91/79/585689179.db2.gz UUMOOMNGKBHCAC-LBPRGKRZSA-N 0 1 249.354 3.023 20 10 BGCDMN CC(C)[N@H+](Cc1ccccc1[O-])CC1CC1 ZINC000778996842 585743808 /nfs/dbraw/zinc/74/38/08/585743808.db2.gz UIUUSGDYAHSWDG-UHFFFAOYSA-N 0 1 219.328 3.013 20 10 BGCDMN CC(C)[N@@H+](Cc1ccccc1[O-])CC1CC1 ZINC000778996842 585743807 /nfs/dbraw/zinc/74/38/07/585743807.db2.gz UIUUSGDYAHSWDG-UHFFFAOYSA-N 0 1 219.328 3.013 20 10 BGCDMN CCN(Cc1ccoc1)Cc1cc(F)ccc1O ZINC000779008345 585743709 /nfs/dbraw/zinc/74/37/09/585743709.db2.gz SZBNWIVWTOMVNK-UHFFFAOYSA-N 0 1 249.285 3.146 20 10 BGCDMN [O-]c1ccc(F)cc1C[NH2+]CC12CCC(CC1)C2 ZINC000779099792 585745300 /nfs/dbraw/zinc/74/53/00/585745300.db2.gz BHWBESHXDXLDGG-UHFFFAOYSA-N 0 1 249.329 3.201 20 10 BGCDMN CCC[N@@H+](Cc1ccccc1[O-])CC1(C)CC1 ZINC000787137964 585901967 /nfs/dbraw/zinc/90/19/67/585901967.db2.gz MXHDSLMTVZJGAL-UHFFFAOYSA-N 0 1 233.355 3.404 20 10 BGCDMN CCC[N@H+](Cc1ccccc1[O-])CC1(C)CC1 ZINC000787137964 585901966 /nfs/dbraw/zinc/90/19/66/585901966.db2.gz MXHDSLMTVZJGAL-UHFFFAOYSA-N 0 1 233.355 3.404 20 10 BGCDMN CCCC[N@@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC000792156860 644792118 /nfs/dbraw/zinc/79/21/18/644792118.db2.gz OVUISISTYOZEAY-UHFFFAOYSA-N 0 1 245.725 3.417 20 10 BGCDMN CCC[N@@H+](CC)Cc1c([O-])ccc(Cl)c1F ZINC000792163083 644792418 /nfs/dbraw/zinc/79/24/18/644792418.db2.gz WRGARAQSBHBLIU-UHFFFAOYSA-N 0 1 245.725 3.417 20 10 BGCDMN CC(C)C[N@@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC000792163360 644792509 /nfs/dbraw/zinc/79/25/09/644792509.db2.gz WZTVJSXHLTYDRT-UHFFFAOYSA-N 0 1 245.725 3.273 20 10 BGCDMN CC1(C)CC[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000792164814 644792843 /nfs/dbraw/zinc/79/28/43/644792843.db2.gz FKYFTPIICLKFGE-UHFFFAOYSA-N 0 1 243.709 3.169 20 10 BGCDMN C[C@@H]1CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792167678 585997031 /nfs/dbraw/zinc/99/70/31/585997031.db2.gz YGBJMFNALMDEKO-MRVPVSSYSA-N 0 1 243.709 3.027 20 10 BGCDMN C[C@H]1CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792167679 585997016 /nfs/dbraw/zinc/99/70/16/585997016.db2.gz YGBJMFNALMDEKO-QMMMGPOBSA-N 0 1 243.709 3.027 20 10 BGCDMN CC(C)C1C[NH+](Cc2cc(Cl)ccc2[O-])C1 ZINC000793191704 586013755 /nfs/dbraw/zinc/01/37/55/586013755.db2.gz LAPHXRISRLIGFN-UHFFFAOYSA-N 0 1 239.746 3.133 20 10 BGCDMN CC(C)C1C[NH+](Cc2c([O-])cccc2Cl)C1 ZINC000793193653 586013761 /nfs/dbraw/zinc/01/37/61/586013761.db2.gz XOGFGPXBDMXYGQ-UHFFFAOYSA-N 0 1 239.746 3.133 20 10 BGCDMN Cc1cc(Cl)cc(C[N@@H+]2[C@H](C)C[C@@H]2C)c1O ZINC000793219588 586014185 /nfs/dbraw/zinc/01/41/85/586014185.db2.gz AHIPKORMEGFVCE-AOOOYVTPSA-N 0 1 239.746 3.337 20 10 BGCDMN C[C@@H]1C[C@H](C)[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000793219985 586014440 /nfs/dbraw/zinc/01/44/40/586014440.db2.gz IVDUAYKBYCINJX-OCAPTIKFSA-N 0 1 243.709 3.167 20 10 BGCDMN C[C@@H]1C[C@H](C)[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000793221012 586014585 /nfs/dbraw/zinc/01/45/85/586014585.db2.gz UGXXICHAIOOMDS-OCAPTIKFSA-N 0 1 243.709 3.167 20 10 BGCDMN C[C@@H]1C[C@H](C)[N@@H+]1Cc1c([O-])cccc1Cl ZINC000793228135 586014615 /nfs/dbraw/zinc/01/46/15/586014615.db2.gz JVNFSNRHZSYWPT-DTORHVGOSA-N 0 1 225.719 3.028 20 10 BGCDMN C[C@@H]1C[C@H](C)[N@@H+]1Cc1c(O)cccc1Cl ZINC000793228135 586014613 /nfs/dbraw/zinc/01/46/13/586014613.db2.gz JVNFSNRHZSYWPT-DTORHVGOSA-N 0 1 225.719 3.028 20 10 BGCDMN C[C@H]1C[C@H](C)[NH+]1Cc1c([O-])cccc1Cl ZINC000793228139 586014704 /nfs/dbraw/zinc/01/47/04/586014704.db2.gz JVNFSNRHZSYWPT-IUCAKERBSA-N 0 1 225.719 3.028 20 10 BGCDMN C[C@@H]1C[C@@H](C)[NH+]1Cc1c([O-])cccc1Cl ZINC000793228142 586014819 /nfs/dbraw/zinc/01/48/19/586014819.db2.gz JVNFSNRHZSYWPT-RKDXNWHRSA-N 0 1 225.719 3.028 20 10 BGCDMN C[C@@H]1C[C@H](C)[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000793228810 586014674 /nfs/dbraw/zinc/01/46/74/586014674.db2.gz RNINJILBHXZGIS-DTORHVGOSA-N 0 1 225.719 3.028 20 10 BGCDMN C[C@@H]1C[C@H](C)[N@@H+]1Cc1cc(Cl)ccc1O ZINC000793228810 586014672 /nfs/dbraw/zinc/01/46/72/586014672.db2.gz RNINJILBHXZGIS-DTORHVGOSA-N 0 1 225.719 3.028 20 10 BGCDMN C[C@H]1C[C@H](C)[NH+]1Cc1cc(Cl)ccc1[O-] ZINC000793228812 586014648 /nfs/dbraw/zinc/01/46/48/586014648.db2.gz RNINJILBHXZGIS-IUCAKERBSA-N 0 1 225.719 3.028 20 10 BGCDMN C[C@@H]1C[C@@H](C)[NH+]1Cc1cc(Cl)ccc1[O-] ZINC000793228813 586014916 /nfs/dbraw/zinc/01/49/16/586014916.db2.gz RNINJILBHXZGIS-RKDXNWHRSA-N 0 1 225.719 3.028 20 10 BGCDMN [O-]c1ccccc1C[N@@H+](CC1CC1)CC1CCC1 ZINC000793388604 586018126 /nfs/dbraw/zinc/01/81/26/586018126.db2.gz GVTVMYJJAPCVLW-UHFFFAOYSA-N 0 1 245.366 3.404 20 10 BGCDMN [O-]c1ccccc1C[N@H+](CC1CC1)CC1CCC1 ZINC000793388604 586018125 /nfs/dbraw/zinc/01/81/25/586018125.db2.gz GVTVMYJJAPCVLW-UHFFFAOYSA-N 0 1 245.366 3.404 20 10 BGCDMN [O-]c1ccccc1C[N@@H+](CC1CC1)C1CCC1 ZINC000793394281 586018025 /nfs/dbraw/zinc/01/80/25/586018025.db2.gz MAUJWKFUIRUGJJ-UHFFFAOYSA-N 0 1 231.339 3.157 20 10 BGCDMN [O-]c1ccccc1C[N@H+](CC1CC1)C1CCC1 ZINC000793394281 586018024 /nfs/dbraw/zinc/01/80/24/586018024.db2.gz MAUJWKFUIRUGJJ-UHFFFAOYSA-N 0 1 231.339 3.157 20 10 BGCDMN CC1=CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000798090539 586136644 /nfs/dbraw/zinc/13/66/44/586136644.db2.gz OQHXDVWTQNKORL-UHFFFAOYSA-N 0 1 237.730 3.198 20 10 BGCDMN CC1=CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000798090539 586136643 /nfs/dbraw/zinc/13/66/43/586136643.db2.gz OQHXDVWTQNKORL-UHFFFAOYSA-N 0 1 237.730 3.198 20 10 BGCDMN CC1=CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000798090716 586136696 /nfs/dbraw/zinc/13/66/96/586136696.db2.gz YUXWXLLSFMWFRP-UHFFFAOYSA-N 0 1 237.730 3.198 20 10 BGCDMN CC1=CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000798090716 586136695 /nfs/dbraw/zinc/13/66/95/586136695.db2.gz YUXWXLLSFMWFRP-UHFFFAOYSA-N 0 1 237.730 3.198 20 10 BGCDMN CCCC[N@H+](Cc1ccccc1[O-])CC1CC1 ZINC000801599243 586266038 /nfs/dbraw/zinc/26/60/38/586266038.db2.gz GYBSESHYNKVGHI-UHFFFAOYSA-N 0 1 233.355 3.404 20 10 BGCDMN CCCC[N@@H+](Cc1ccccc1[O-])CC1CC1 ZINC000801599243 586266037 /nfs/dbraw/zinc/26/60/37/586266037.db2.gz GYBSESHYNKVGHI-UHFFFAOYSA-N 0 1 233.355 3.404 20 10 BGCDMN C[N@@H+](Cc1ccccc1[O-])CC12CCC(CC1)C2 ZINC000809575534 644893182 /nfs/dbraw/zinc/89/31/82/644893182.db2.gz GVQPDYNASYSFMU-UHFFFAOYSA-N 0 1 245.366 3.404 20 10 BGCDMN C[N@H+](Cc1ccccc1[O-])CC12CCC(CC1)C2 ZINC000809575534 644893178 /nfs/dbraw/zinc/89/31/78/644893178.db2.gz GVQPDYNASYSFMU-UHFFFAOYSA-N 0 1 245.366 3.404 20 10 BGCDMN CCC(CC)[N@@H+](CC)Cc1ccccc1[O-] ZINC000809788086 586520246 /nfs/dbraw/zinc/52/02/46/586520246.db2.gz MXTFTAHWZLDTCA-UHFFFAOYSA-N 0 1 221.344 3.403 20 10 BGCDMN CCC(CC)[N@H+](CC)Cc1ccccc1[O-] ZINC000809788086 586520244 /nfs/dbraw/zinc/52/02/44/586520244.db2.gz MXTFTAHWZLDTCA-UHFFFAOYSA-N 0 1 221.344 3.403 20 10 BGCDMN CC[C@@H]1CC[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000814178846 586616084 /nfs/dbraw/zinc/61/60/84/586616084.db2.gz FYWKQPRAOWXSBG-MRVPVSSYSA-N 0 1 243.709 3.169 20 10 BGCDMN CC[C@H]1CC[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000814178847 586615823 /nfs/dbraw/zinc/61/58/23/586615823.db2.gz FYWKQPRAOWXSBG-QMMMGPOBSA-N 0 1 243.709 3.169 20 10 BGCDMN CC[C@H]1CC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000814179039 586615785 /nfs/dbraw/zinc/61/57/85/586615785.db2.gz NVHIPZBLIWSWNZ-JTQLQIEISA-N 0 1 243.709 3.169 20 10 BGCDMN CC[C@@H]1CC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000814179040 586615818 /nfs/dbraw/zinc/61/58/18/586615818.db2.gz NVHIPZBLIWSWNZ-SNVBAGLBSA-N 0 1 243.709 3.169 20 10 BGCDMN CC[C@@H]1CC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000814179260 586615792 /nfs/dbraw/zinc/61/57/92/586615792.db2.gz QHGKPBMEZJXSGU-LLVKDONJSA-N 0 1 225.719 3.030 20 10 BGCDMN CC[C@@H]1CC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000814179260 586615791 /nfs/dbraw/zinc/61/57/91/586615791.db2.gz QHGKPBMEZJXSGU-LLVKDONJSA-N 0 1 225.719 3.030 20 10 BGCDMN CC[C@H]1CC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000814179263 586615723 /nfs/dbraw/zinc/61/57/23/586615723.db2.gz QHGKPBMEZJXSGU-NSHDSACASA-N 0 1 225.719 3.030 20 10 BGCDMN CC[C@H]1CC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000814179263 586615722 /nfs/dbraw/zinc/61/57/22/586615722.db2.gz QHGKPBMEZJXSGU-NSHDSACASA-N 0 1 225.719 3.030 20 10 BGCDMN CC(C)[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816480210 586735519 /nfs/dbraw/zinc/73/55/19/586735519.db2.gz GUFFUADFEQYBQQ-UHFFFAOYSA-N 0 1 231.698 3.025 20 10 BGCDMN CCC[N@@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816483745 586735572 /nfs/dbraw/zinc/73/55/72/586735572.db2.gz CQDJKSZSVMOEHU-UHFFFAOYSA-N 0 1 229.323 3.387 20 10 BGCDMN CCC[N@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816483745 586735570 /nfs/dbraw/zinc/73/55/70/586735570.db2.gz CQDJKSZSVMOEHU-UHFFFAOYSA-N 0 1 229.323 3.387 20 10 BGCDMN CCC[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816483917 586736234 /nfs/dbraw/zinc/73/62/34/586736234.db2.gz JVWPMBWAHQOHRJ-UHFFFAOYSA-N 0 1 231.698 3.027 20 10 BGCDMN CC(C)C[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816483918 586736226 /nfs/dbraw/zinc/73/62/26/586736226.db2.gz JWGRFDSPSLHTTO-UHFFFAOYSA-N 0 1 245.725 3.273 20 10 BGCDMN CC[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C(C)C ZINC000816484011 586736313 /nfs/dbraw/zinc/73/63/13/586736313.db2.gz NALKYPCPRQMGLK-UHFFFAOYSA-N 0 1 245.725 3.415 20 10 BGCDMN CC[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C1CC1 ZINC000816485970 586736240 /nfs/dbraw/zinc/73/62/40/586736240.db2.gz ILHYPPMVCBEFPM-UHFFFAOYSA-N 0 1 243.709 3.169 20 10 BGCDMN CC[C@@H](C)[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816487402 586736294 /nfs/dbraw/zinc/73/62/94/586736294.db2.gz MEZZKHUBYPXJSI-MRVPVSSYSA-N 0 1 245.725 3.415 20 10 BGCDMN CC[C@H](C)[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816487403 586735755 /nfs/dbraw/zinc/73/57/55/586735755.db2.gz MEZZKHUBYPXJSI-QMMMGPOBSA-N 0 1 245.725 3.415 20 10 BGCDMN C[N@@H+](Cc1ccc2ccccc2c1[O-])C1CC1 ZINC000816487500 586735481 /nfs/dbraw/zinc/73/54/81/586735481.db2.gz PCEGURLSBUECEK-UHFFFAOYSA-N 0 1 227.307 3.140 20 10 BGCDMN C[N@H+](Cc1ccc2ccccc2c1[O-])C1CC1 ZINC000816487500 586735477 /nfs/dbraw/zinc/73/54/77/586735477.db2.gz PCEGURLSBUECEK-UHFFFAOYSA-N 0 1 227.307 3.140 20 10 BGCDMN C[N@H+](Cc1ccc2ccccc2c1[O-])CC1CC1 ZINC000816493507 586736884 /nfs/dbraw/zinc/73/68/84/586736884.db2.gz DXTCIGXWHPLDQQ-UHFFFAOYSA-N 0 1 241.334 3.387 20 10 BGCDMN C[N@@H+](Cc1ccc2ccccc2c1[O-])CC1CC1 ZINC000816493507 586736883 /nfs/dbraw/zinc/73/68/83/586736883.db2.gz DXTCIGXWHPLDQQ-UHFFFAOYSA-N 0 1 241.334 3.387 20 10 BGCDMN C[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816496219 586736841 /nfs/dbraw/zinc/73/68/41/586736841.db2.gz APWCRKGGHJNUJL-GFCCVEGCSA-N 0 1 241.334 3.387 20 10 BGCDMN C[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816496219 586736840 /nfs/dbraw/zinc/73/68/40/586736840.db2.gz APWCRKGGHJNUJL-GFCCVEGCSA-N 0 1 241.334 3.387 20 10 BGCDMN C[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816496220 586736680 /nfs/dbraw/zinc/73/66/80/586736680.db2.gz APWCRKGGHJNUJL-LBPRGKRZSA-N 0 1 241.334 3.387 20 10 BGCDMN C[C@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816496220 586736677 /nfs/dbraw/zinc/73/66/77/586736677.db2.gz APWCRKGGHJNUJL-LBPRGKRZSA-N 0 1 241.334 3.387 20 10 BGCDMN C[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816496566 586736793 /nfs/dbraw/zinc/73/67/93/586736793.db2.gz OSHXNOAIGYSBMX-MRVPVSSYSA-N 0 1 243.709 3.027 20 10 BGCDMN C[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816496567 586736923 /nfs/dbraw/zinc/73/69/23/586736923.db2.gz OSHXNOAIGYSBMX-QMMMGPOBSA-N 0 1 243.709 3.027 20 10 BGCDMN C[C@@H]1CCC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816508687 586737523 /nfs/dbraw/zinc/73/75/23/586737523.db2.gz RPYLGQUXXKHFBS-MRVPVSSYSA-N 0 1 243.709 3.169 20 10 BGCDMN C[C@H]1CCC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816508688 586737475 /nfs/dbraw/zinc/73/74/75/586737475.db2.gz RPYLGQUXXKHFBS-QMMMGPOBSA-N 0 1 243.709 3.169 20 10 BGCDMN CC(C)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816528798 586738926 /nfs/dbraw/zinc/73/89/26/586738926.db2.gz RSWSJFLUORZMPZ-UHFFFAOYSA-N 0 1 229.323 3.291 20 10 BGCDMN CCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816529556 586739538 /nfs/dbraw/zinc/73/95/38/586739538.db2.gz XKIHXPUABZXPJX-UHFFFAOYSA-N 0 1 215.296 3.045 20 10 BGCDMN C[C@@H]([NH2+]Cc1ccc2ccccc2c1[O-])C1CC1 ZINC000816529638 586739113 /nfs/dbraw/zinc/73/91/13/586739113.db2.gz AMHZQVIYLCYLKW-LLVKDONJSA-N 0 1 241.334 3.434 20 10 BGCDMN C[C@H]([NH2+]Cc1ccc2ccccc2c1[O-])C1CC1 ZINC000816529639 586739094 /nfs/dbraw/zinc/73/90/94/586739094.db2.gz AMHZQVIYLCYLKW-NSHDSACASA-N 0 1 241.334 3.434 20 10 BGCDMN CCCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816531163 586739567 /nfs/dbraw/zinc/73/95/67/586739567.db2.gz HSVXBPNZVIUCSN-UHFFFAOYSA-N 0 1 229.323 3.435 20 10 BGCDMN CC(C)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816531300 586737506 /nfs/dbraw/zinc/73/75/06/586737506.db2.gz MTOATJSRLFCMCG-UHFFFAOYSA-N 0 1 215.296 3.043 20 10 BGCDMN C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816535043 586739300 /nfs/dbraw/zinc/73/93/00/586739300.db2.gz CTOSBXJRUJDHTO-BXUZGUMPSA-N 0 1 241.334 3.291 20 10 BGCDMN C[C@H]1C[C@H]1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816535044 586739118 /nfs/dbraw/zinc/73/91/18/586739118.db2.gz CTOSBXJRUJDHTO-FZMZJTMJSA-N 0 1 241.334 3.291 20 10 BGCDMN C[C@@H]1C[C@H]1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816535045 586739394 /nfs/dbraw/zinc/73/93/94/586739394.db2.gz CTOSBXJRUJDHTO-RISCZKNCSA-N 0 1 241.334 3.291 20 10 BGCDMN C[C@H]1C[C@@H]1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816535046 586739195 /nfs/dbraw/zinc/73/91/95/586739195.db2.gz CTOSBXJRUJDHTO-SMDDNHRTSA-N 0 1 241.334 3.291 20 10 BGCDMN [O-]c1c(C[NH2+]CC2CCC2)ccc2ccccc21 ZINC000816542607 586739843 /nfs/dbraw/zinc/73/98/43/586739843.db2.gz VOIAMHZXIRVPTK-UHFFFAOYSA-N 0 1 241.334 3.435 20 10 BGCDMN [O-]c1c(C[NH2+]CCC2CC2)ccc2ccccc21 ZINC000816554524 586740894 /nfs/dbraw/zinc/74/08/94/586740894.db2.gz AUBJMJXVRBSBTM-UHFFFAOYSA-N 0 1 241.334 3.435 20 10 BGCDMN CC1(C[NH2+]Cc2ccc3ccccc3c2[O-])CC1 ZINC000816555920 586740791 /nfs/dbraw/zinc/74/07/91/586740791.db2.gz UIOOXRSWLNSQGD-UHFFFAOYSA-N 0 1 241.334 3.435 20 10 BGCDMN [O-]c1c(C[N@@H+]2CC=CCC2)ccc2ccccc21 ZINC000816564790 586740512 /nfs/dbraw/zinc/74/05/12/586740512.db2.gz PYZDWOPFTOIQLB-UHFFFAOYSA-N 0 1 239.318 3.307 20 10 BGCDMN [O-]c1c(C[N@H+]2CC=CCC2)ccc2ccccc21 ZINC000816564790 586740510 /nfs/dbraw/zinc/74/05/10/586740510.db2.gz PYZDWOPFTOIQLB-UHFFFAOYSA-N 0 1 239.318 3.307 20 10 BGCDMN C[C@@H]1C[C@H](C)[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816595056 586743895 /nfs/dbraw/zinc/74/38/95/586743895.db2.gz XYKJRQDRLCDGGE-OCAPTIKFSA-N 0 1 243.709 3.167 20 10 BGCDMN C[C@@H]1CC[C@@H]1[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816609638 586743839 /nfs/dbraw/zinc/74/38/39/586743839.db2.gz ICFIZEVTBLCDLE-ABAIWWIYSA-N 0 1 241.334 3.434 20 10 BGCDMN C[C@@H]1CC[C@H]1[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816609639 586744186 /nfs/dbraw/zinc/74/41/86/586744186.db2.gz ICFIZEVTBLCDLE-IAQYHMDHSA-N 0 1 241.334 3.434 20 10 BGCDMN C[C@H]1CC[C@@H]1[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816609640 586743955 /nfs/dbraw/zinc/74/39/55/586743955.db2.gz ICFIZEVTBLCDLE-NHYWBVRUSA-N 0 1 241.334 3.434 20 10 BGCDMN C[C@H]1CC[C@H]1[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816609641 586743786 /nfs/dbraw/zinc/74/37/86/586743786.db2.gz ICFIZEVTBLCDLE-XHDPSFHLSA-N 0 1 241.334 3.434 20 10 BGCDMN [O-]c1c(C[NH2+]CCCCF)ccc2ccccc21 ZINC000816615903 586744621 /nfs/dbraw/zinc/74/46/21/586744621.db2.gz IWBYNDJEAJZLAG-UHFFFAOYSA-N 0 1 247.313 3.385 20 10 BGCDMN C[C@@H](F)CC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816643924 586748251 /nfs/dbraw/zinc/74/82/51/586748251.db2.gz WAMIYOHKUDDRJE-LLVKDONJSA-N 0 1 247.313 3.383 20 10 BGCDMN C[C@H](F)CC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816643925 586748147 /nfs/dbraw/zinc/74/81/47/586748147.db2.gz WAMIYOHKUDDRJE-NSHDSACASA-N 0 1 247.313 3.383 20 10 BGCDMN C[C@@H]1C[N@@H+](Cc2c([O-])ccc(Cl)c2F)[C@@H]1C ZINC000816647030 643555789 /nfs/dbraw/zinc/55/57/89/643555789.db2.gz MNAPOEJTLRHBCE-HTQZYQBOSA-N 0 1 243.709 3.025 20 10 BGCDMN C[C@@H]1[C@@H](C)C[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000816647031 643553714 /nfs/dbraw/zinc/55/37/14/643553714.db2.gz MNAPOEJTLRHBCE-JGVFFNPUSA-N 0 1 243.709 3.025 20 10 BGCDMN C[C@@H]1C[N@@H+](Cc2c([O-])ccc(Cl)c2F)[C@H]1C ZINC000816647032 643552766 /nfs/dbraw/zinc/55/27/66/643552766.db2.gz MNAPOEJTLRHBCE-SFYZADRCSA-N 0 1 243.709 3.025 20 10 BGCDMN C[C@H]1C[N@@H+](Cc2c([O-])ccc(Cl)c2F)[C@H]1C ZINC000816647033 643554987 /nfs/dbraw/zinc/55/49/87/643554987.db2.gz MNAPOEJTLRHBCE-YUMQZZPRSA-N 0 1 243.709 3.025 20 10 BGCDMN C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])[C@H]1C ZINC000816647063 586749458 /nfs/dbraw/zinc/74/94/58/586749458.db2.gz NDGPARXWLSSQCK-NEPJUHHUSA-N 0 1 241.334 3.386 20 10 BGCDMN C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])[C@H]1C ZINC000816647063 586749455 /nfs/dbraw/zinc/74/94/55/586749455.db2.gz NDGPARXWLSSQCK-NEPJUHHUSA-N 0 1 241.334 3.386 20 10 BGCDMN C[C@@H]1[C@@H](C)C[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816647064 586749537 /nfs/dbraw/zinc/74/95/37/586749537.db2.gz NDGPARXWLSSQCK-NWDGAFQWSA-N 0 1 241.334 3.386 20 10 BGCDMN C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816647064 586749534 /nfs/dbraw/zinc/74/95/34/586749534.db2.gz NDGPARXWLSSQCK-NWDGAFQWSA-N 0 1 241.334 3.386 20 10 BGCDMN C[C@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])[C@H]1C ZINC000816647065 586748884 /nfs/dbraw/zinc/74/88/84/586748884.db2.gz NDGPARXWLSSQCK-RYUDHWBXSA-N 0 1 241.334 3.386 20 10 BGCDMN C[C@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])[C@H]1C ZINC000816647065 586748882 /nfs/dbraw/zinc/74/88/82/586748882.db2.gz NDGPARXWLSSQCK-RYUDHWBXSA-N 0 1 241.334 3.386 20 10 BGCDMN C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])[C@@H]1C ZINC000816647066 586748633 /nfs/dbraw/zinc/74/86/33/586748633.db2.gz NDGPARXWLSSQCK-VXGBXAGGSA-N 0 1 241.334 3.386 20 10 BGCDMN C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])[C@@H]1C ZINC000816647066 586748630 /nfs/dbraw/zinc/74/86/30/586748630.db2.gz NDGPARXWLSSQCK-VXGBXAGGSA-N 0 1 241.334 3.386 20 10 BGCDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])[C@@H]1C ZINC000816647277 643554262 /nfs/dbraw/zinc/55/42/62/643554262.db2.gz QJNUWMCKOJONRT-HTQZYQBOSA-N 0 1 243.709 3.025 20 10 BGCDMN C[C@@H]1[C@@H](C)C[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000816647278 643555003 /nfs/dbraw/zinc/55/50/03/643555003.db2.gz QJNUWMCKOJONRT-JGVFFNPUSA-N 0 1 243.709 3.025 20 10 BGCDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])[C@H]1C ZINC000816647279 643553044 /nfs/dbraw/zinc/55/30/44/643553044.db2.gz QJNUWMCKOJONRT-SFYZADRCSA-N 0 1 243.709 3.025 20 10 BGCDMN C[C@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])[C@H]1C ZINC000816647280 643554128 /nfs/dbraw/zinc/55/41/28/643554128.db2.gz QJNUWMCKOJONRT-YUMQZZPRSA-N 0 1 243.709 3.025 20 10 BGCDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2[O-])[C@@H]1C ZINC000816648588 586751386 /nfs/dbraw/zinc/75/13/86/586751386.db2.gz MNSMCSXCKDLNFN-HTQZYQBOSA-N 0 1 243.709 3.025 20 10 BGCDMN C[C@@H]1[C@@H](C)C[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816648589 586751511 /nfs/dbraw/zinc/75/15/11/586751511.db2.gz MNSMCSXCKDLNFN-JGVFFNPUSA-N 0 1 243.709 3.025 20 10 BGCDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2[O-])[C@H]1C ZINC000816648590 586751210 /nfs/dbraw/zinc/75/12/10/586751210.db2.gz MNSMCSXCKDLNFN-SFYZADRCSA-N 0 1 243.709 3.025 20 10 BGCDMN C[C@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2[O-])[C@H]1C ZINC000816648591 586751333 /nfs/dbraw/zinc/75/13/33/586751333.db2.gz MNSMCSXCKDLNFN-YUMQZZPRSA-N 0 1 243.709 3.025 20 10 BGCDMN Cc1cc([O-])c(C[NH2+]C2CC=CC2)c(Cl)c1 ZINC000817408211 586801318 /nfs/dbraw/zinc/80/13/18/586801318.db2.gz GEPLJWSPVVZMOQ-UHFFFAOYSA-N 0 1 237.730 3.162 20 10 BGCDMN C[C@@H]([NH2+][C@H]1CC12CC2)c1cc(Cl)ccc1[O-] ZINC000818355017 586888496 /nfs/dbraw/zinc/88/84/96/586888496.db2.gz ABLWQEXWBSUAPZ-PELKAZGASA-N 0 1 237.730 3.249 20 10 BGCDMN C[C@@H]([NH2+][C@@H]1CC12CC2)c1cc(Cl)ccc1[O-] ZINC000818355018 586888473 /nfs/dbraw/zinc/88/84/73/586888473.db2.gz ABLWQEXWBSUAPZ-PRHODGIISA-N 0 1 237.730 3.249 20 10 BGCDMN C[C@H]([NH2+][C@@H]1CC12CC2)c1cc(Cl)ccc1[O-] ZINC000818355019 586888381 /nfs/dbraw/zinc/88/83/81/586888381.db2.gz ABLWQEXWBSUAPZ-QPUJVOFHSA-N 0 1 237.730 3.249 20 10 BGCDMN C[C@H]([NH2+][C@H]1CC12CC2)c1cc(Cl)ccc1[O-] ZINC000818355020 586888540 /nfs/dbraw/zinc/88/85/40/586888540.db2.gz ABLWQEXWBSUAPZ-UFBFGSQYSA-N 0 1 237.730 3.249 20 10 BGCDMN Cc1cc([O-])c(C[N@H+](C)C(C)C)cc1Cl ZINC000824491848 587271853 /nfs/dbraw/zinc/27/18/53/587271853.db2.gz XNLZHVJECYAKBU-UHFFFAOYSA-N 0 1 227.735 3.194 20 10 BGCDMN Cc1cc([O-])c(C[N@@H+](C)C(C)C)cc1Cl ZINC000824491848 587271852 /nfs/dbraw/zinc/27/18/52/587271852.db2.gz XNLZHVJECYAKBU-UHFFFAOYSA-N 0 1 227.735 3.194 20 10 BGCDMN CC[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])C(F)F ZINC000824510724 587272828 /nfs/dbraw/zinc/27/28/28/587272828.db2.gz ZGCBVKOJVHSKQS-SECBINFHSA-N 0 1 249.688 3.179 20 10 BGCDMN CC[C@H]([NH2+]Cc1cccc(Cl)c1[O-])C(F)F ZINC000824510726 587272638 /nfs/dbraw/zinc/27/26/38/587272638.db2.gz ZGCBVKOJVHSKQS-VIFPVBQESA-N 0 1 249.688 3.179 20 10 BGCDMN CCC[N@@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC000824555468 587275737 /nfs/dbraw/zinc/27/57/37/587275737.db2.gz GYGKRXLOYVIFGV-UHFFFAOYSA-N 0 1 227.735 3.196 20 10 BGCDMN CCC[N@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC000824555468 587275736 /nfs/dbraw/zinc/27/57/36/587275736.db2.gz GYGKRXLOYVIFGV-UHFFFAOYSA-N 0 1 227.735 3.196 20 10 BGCDMN CC[N@@H+](Cc1cc(Cl)c(C)cc1[O-])C1CC1 ZINC000824556018 587276286 /nfs/dbraw/zinc/27/62/86/587276286.db2.gz LCDJTJPNPDTWEK-UHFFFAOYSA-N 0 1 239.746 3.338 20 10 BGCDMN CC[N@H+](Cc1cc(Cl)c(C)cc1[O-])C1CC1 ZINC000824556018 587276284 /nfs/dbraw/zinc/27/62/84/587276284.db2.gz LCDJTJPNPDTWEK-UHFFFAOYSA-N 0 1 239.746 3.338 20 10 BGCDMN [O-]c1c(C[N@H+]2CC[C@@H](F)C2)ccc2ccccc21 ZINC000824572554 587277168 /nfs/dbraw/zinc/27/71/68/587277168.db2.gz ZUMCPCWTEBIRAQ-CYBMUJFWSA-N 0 1 245.297 3.089 20 10 BGCDMN [O-]c1c(C[N@@H+]2CC[C@@H](F)C2)ccc2ccccc21 ZINC000824572554 587277166 /nfs/dbraw/zinc/27/71/66/587277166.db2.gz ZUMCPCWTEBIRAQ-CYBMUJFWSA-N 0 1 245.297 3.089 20 10 BGCDMN [O-]c1c(C[N@H+]2CC[C@H](F)C2)ccc2ccccc21 ZINC000824572555 587277009 /nfs/dbraw/zinc/27/70/09/587277009.db2.gz ZUMCPCWTEBIRAQ-ZDUSSCGKSA-N 0 1 245.297 3.089 20 10 BGCDMN [O-]c1c(C[N@@H+]2CC[C@H](F)C2)ccc2ccccc21 ZINC000824572555 587277008 /nfs/dbraw/zinc/27/70/08/587277008.db2.gz ZUMCPCWTEBIRAQ-ZDUSSCGKSA-N 0 1 245.297 3.089 20 10 BGCDMN Cc1cc([O-])c(C[N@@H+](C)CC2CC2)cc1Cl ZINC000824601725 587279015 /nfs/dbraw/zinc/27/90/15/587279015.db2.gz MIRBIYVFCRWZHK-UHFFFAOYSA-N 0 1 239.746 3.196 20 10 BGCDMN Cc1cc([O-])c(C[N@H+](C)CC2CC2)cc1Cl ZINC000824601725 587279013 /nfs/dbraw/zinc/27/90/13/587279013.db2.gz MIRBIYVFCRWZHK-UHFFFAOYSA-N 0 1 239.746 3.196 20 10 BGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](C)C2)cc1Cl ZINC000824618757 587280011 /nfs/dbraw/zinc/28/00/11/587280011.db2.gz ZTUSNVNLUXPNMT-SECBINFHSA-N 0 1 239.746 3.196 20 10 BGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](C)C2)cc1Cl ZINC000824618757 587280010 /nfs/dbraw/zinc/28/00/10/587280010.db2.gz ZTUSNVNLUXPNMT-SECBINFHSA-N 0 1 239.746 3.196 20 10 BGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](C)C2)cc1Cl ZINC000824618758 587279957 /nfs/dbraw/zinc/27/99/57/587279957.db2.gz ZTUSNVNLUXPNMT-VIFPVBQESA-N 0 1 239.746 3.196 20 10 BGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](C)C2)cc1Cl ZINC000824618758 587279956 /nfs/dbraw/zinc/27/99/56/587279956.db2.gz ZTUSNVNLUXPNMT-VIFPVBQESA-N 0 1 239.746 3.196 20 10 BGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@@H]1C1CC1 ZINC000824649080 587280819 /nfs/dbraw/zinc/28/08/19/587280819.db2.gz BBAJVOSXBXUGEB-GFCCVEGCSA-N 0 1 237.730 3.030 20 10 BGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@@H]1C1CC1 ZINC000824649080 587280817 /nfs/dbraw/zinc/28/08/17/587280817.db2.gz BBAJVOSXBXUGEB-GFCCVEGCSA-N 0 1 237.730 3.030 20 10 BGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@H]1C1CC1 ZINC000824649083 587280933 /nfs/dbraw/zinc/28/09/33/587280933.db2.gz BBAJVOSXBXUGEB-LBPRGKRZSA-N 0 1 237.730 3.030 20 10 BGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@H]1C1CC1 ZINC000824649083 587280932 /nfs/dbraw/zinc/28/09/32/587280932.db2.gz BBAJVOSXBXUGEB-LBPRGKRZSA-N 0 1 237.730 3.030 20 10 BGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@@H]1C1CC1 ZINC000824650759 587280666 /nfs/dbraw/zinc/28/06/66/587280666.db2.gz QIWNXEMQKZNTQK-GFCCVEGCSA-N 0 1 237.730 3.030 20 10 BGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@@H]1C1CC1 ZINC000824650759 587280665 /nfs/dbraw/zinc/28/06/65/587280665.db2.gz QIWNXEMQKZNTQK-GFCCVEGCSA-N 0 1 237.730 3.030 20 10 BGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@H]1C1CC1 ZINC000824650760 587281047 /nfs/dbraw/zinc/28/10/47/587281047.db2.gz QIWNXEMQKZNTQK-LBPRGKRZSA-N 0 1 237.730 3.030 20 10 BGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@H]1C1CC1 ZINC000824650760 587281046 /nfs/dbraw/zinc/28/10/46/587281046.db2.gz QIWNXEMQKZNTQK-LBPRGKRZSA-N 0 1 237.730 3.030 20 10 BGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@H]1C1CC1 ZINC000824650774 587280649 /nfs/dbraw/zinc/28/06/49/587280649.db2.gz QPISMVSTIQXSLG-GFCCVEGCSA-N 0 1 237.730 3.030 20 10 BGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@H]1C1CC1 ZINC000824650775 587281101 /nfs/dbraw/zinc/28/11/01/587281101.db2.gz QPISMVSTIQXSLG-LBPRGKRZSA-N 0 1 237.730 3.030 20 10 BGCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]2C)cc1Cl ZINC000824778815 587287017 /nfs/dbraw/zinc/28/70/17/587287017.db2.gz TYEDZKDWNLHAPX-JTQLQIEISA-N 0 1 239.746 3.338 20 10 BGCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]2C)cc1Cl ZINC000824778815 587287016 /nfs/dbraw/zinc/28/70/16/587287016.db2.gz TYEDZKDWNLHAPX-JTQLQIEISA-N 0 1 239.746 3.338 20 10 BGCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]2C)cc1Cl ZINC000824778816 587287009 /nfs/dbraw/zinc/28/70/09/587287009.db2.gz TYEDZKDWNLHAPX-SNVBAGLBSA-N 0 1 239.746 3.338 20 10 BGCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H]2C)cc1Cl ZINC000824778816 587287007 /nfs/dbraw/zinc/28/70/07/587287007.db2.gz TYEDZKDWNLHAPX-SNVBAGLBSA-N 0 1 239.746 3.338 20 10 BGCDMN Cc1cc([O-])c(C[N@H+]2CCC2(C)C)cc1Cl ZINC000824823836 587289189 /nfs/dbraw/zinc/28/91/89/587289189.db2.gz DVNZPODKEHZXMH-UHFFFAOYSA-N 0 1 239.746 3.338 20 10 BGCDMN Cc1cc([O-])c(C[N@@H+]2CCC2(C)C)cc1Cl ZINC000824823836 587289188 /nfs/dbraw/zinc/28/91/88/587289188.db2.gz DVNZPODKEHZXMH-UHFFFAOYSA-N 0 1 239.746 3.338 20 10 BGCDMN Cc1cc([O-])c(C[N@H+](C)C2CCC2)cc1Cl ZINC000824826176 587289501 /nfs/dbraw/zinc/28/95/01/587289501.db2.gz XSTWOIWWWPCRDI-UHFFFAOYSA-N 0 1 239.746 3.338 20 10 BGCDMN Cc1cc([O-])c(C[N@@H+](C)C2CCC2)cc1Cl ZINC000824826176 587289499 /nfs/dbraw/zinc/28/94/99/587289499.db2.gz XSTWOIWWWPCRDI-UHFFFAOYSA-N 0 1 239.746 3.338 20 10 BGCDMN Cc1cc([O-])c(C[NH2+]CC(C)C)cc1Cl ZINC000825043222 587300181 /nfs/dbraw/zinc/30/01/81/587300181.db2.gz CUODYUDQNLVAGF-UHFFFAOYSA-N 0 1 227.735 3.100 20 10 BGCDMN Cc1cc([O-])c(C[NH2+]C2CCCC2)cc1Cl ZINC000825044066 645060771 /nfs/dbraw/zinc/06/07/71/645060771.db2.gz OZODYJLWRHFVSC-UHFFFAOYSA-N 0 1 239.746 3.386 20 10 BGCDMN CC[C@@H](C)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825049960 645061032 /nfs/dbraw/zinc/06/10/32/645061032.db2.gz NRLUEBLVTFDFDI-SECBINFHSA-N 0 1 227.735 3.242 20 10 BGCDMN CC[C@H](C)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825049961 645060719 /nfs/dbraw/zinc/06/07/19/645060719.db2.gz NRLUEBLVTFDFDI-VIFPVBQESA-N 0 1 227.735 3.242 20 10 BGCDMN Cc1cc([O-])c(C[NH2+][C@H](C)C2CC2)cc1Cl ZINC000825059205 587301473 /nfs/dbraw/zinc/30/14/73/587301473.db2.gz VPZNXIRHTLEHQC-SECBINFHSA-N 0 1 239.746 3.242 20 10 BGCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)C2CC2)cc1Cl ZINC000825059301 587301592 /nfs/dbraw/zinc/30/15/92/587301592.db2.gz VPZNXIRHTLEHQC-VIFPVBQESA-N 0 1 239.746 3.242 20 10 BGCDMN CCCC[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825070359 587302980 /nfs/dbraw/zinc/30/29/80/587302980.db2.gz CGAZDUULXCHLGR-UHFFFAOYSA-N 0 1 227.735 3.244 20 10 BGCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2C[C@H]2C)cc1Cl ZINC000825113416 587305661 /nfs/dbraw/zinc/30/56/61/587305661.db2.gz CHNBOKDZEVXKNA-PSASIEDQSA-N 0 1 239.746 3.100 20 10 BGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2C[C@H]2C)cc1Cl ZINC000825113417 587305475 /nfs/dbraw/zinc/30/54/75/587305475.db2.gz CHNBOKDZEVXKNA-SCZZXKLOSA-N 0 1 239.746 3.100 20 10 BGCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2C[C@@H]2C)cc1Cl ZINC000825113418 587305374 /nfs/dbraw/zinc/30/53/74/587305374.db2.gz CHNBOKDZEVXKNA-WCBMZHEXSA-N 0 1 239.746 3.100 20 10 BGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2C[C@@H]2C)cc1Cl ZINC000825113419 587305600 /nfs/dbraw/zinc/30/56/00/587305600.db2.gz CHNBOKDZEVXKNA-WPRPVWTQSA-N 0 1 239.746 3.100 20 10 BGCDMN Cc1cc([O-])c(C[NH2+]CC2CCC2)cc1Cl ZINC000825160883 587307269 /nfs/dbraw/zinc/30/72/69/587307269.db2.gz XJMSBDNNBNLSAZ-UHFFFAOYSA-N 0 1 239.746 3.244 20 10 BGCDMN Cc1cc([O-])c(C[NH2+]CCC2CC2)cc1Cl ZINC000825325135 587315572 /nfs/dbraw/zinc/31/55/72/587315572.db2.gz AZMKHNCOWBUAFB-UHFFFAOYSA-N 0 1 239.746 3.244 20 10 BGCDMN Cc1cc([O-])c(C[NH2+]CC2(C)CC2)cc1Cl ZINC000825325457 587315281 /nfs/dbraw/zinc/31/52/81/587315281.db2.gz FLROXTKQHLZPSR-UHFFFAOYSA-N 0 1 239.746 3.244 20 10 BGCDMN Cc1cc([O-])c(C[NH2+]C2CC(C)C2)cc1Cl ZINC000825330948 587315288 /nfs/dbraw/zinc/31/52/88/587315288.db2.gz GRHUBWQJPOGMDP-UHFFFAOYSA-N 0 1 239.746 3.242 20 10 BGCDMN Cc1cc([O-])c(C[NH2+]C2CC=CC2)cc1Cl ZINC000825354793 587316787 /nfs/dbraw/zinc/31/67/87/587316787.db2.gz ZMUKCAYIGNKVQD-UHFFFAOYSA-N 0 1 237.730 3.162 20 10 BGCDMN Cc1cc([O-])c(C[NH2+]C(C)(C)C)cc1Cl ZINC000825421502 587319014 /nfs/dbraw/zinc/31/90/14/587319014.db2.gz AUNZSYJFQWQRHI-UHFFFAOYSA-N 0 1 227.735 3.242 20 10 BGCDMN Cc1cc([O-])c(C[NH2+]C2(C)CCC2)cc1Cl ZINC000825436162 587319406 /nfs/dbraw/zinc/31/94/06/587319406.db2.gz PYLPELGJPWKEJQ-UHFFFAOYSA-N 0 1 239.746 3.386 20 10 BGCDMN Cc1cc(O)c(C[N@@H+]2CC=CCC2)cc1Cl ZINC000825446733 587319736 /nfs/dbraw/zinc/31/97/36/587319736.db2.gz NLFVHFPFJQZPKZ-UHFFFAOYSA-N 0 1 237.730 3.116 20 10 BGCDMN Cc1cc([O-])c(C[N@@H+]2[C@H](C)C[C@@H]2C)cc1Cl ZINC000825737859 587335562 /nfs/dbraw/zinc/33/55/62/587335562.db2.gz GXQVGCONBSUMST-AOOOYVTPSA-N 0 1 239.746 3.337 20 10 BGCDMN Cc1cc([O-])c(C[N@H+]2[C@H](C)C[C@@H]2C)cc1Cl ZINC000825737859 587335560 /nfs/dbraw/zinc/33/55/60/587335560.db2.gz GXQVGCONBSUMST-AOOOYVTPSA-N 0 1 239.746 3.337 20 10 BGCDMN Cc1cc([O-])c(C[NH+]2[C@H](C)C[C@H]2C)cc1Cl ZINC000825737860 587335255 /nfs/dbraw/zinc/33/52/55/587335255.db2.gz GXQVGCONBSUMST-NXEZZACHSA-N 0 1 239.746 3.337 20 10 BGCDMN Cc1cc([O-])c(C[NH+]2[C@@H](C)C[C@@H]2C)cc1Cl ZINC000825737861 587335404 /nfs/dbraw/zinc/33/54/04/587335404.db2.gz GXQVGCONBSUMST-UWVGGRQHSA-N 0 1 239.746 3.337 20 10 BGCDMN Cc1cc([O-])c(C[NH2+][C@H]2CC[C@H]2C)cc1Cl ZINC000825893395 587344325 /nfs/dbraw/zinc/34/43/25/587344325.db2.gz YTOCYGLGZBMTQC-PELKAZGASA-N 0 1 239.746 3.242 20 10 BGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CC[C@H]2C)cc1Cl ZINC000825893396 587344470 /nfs/dbraw/zinc/34/44/70/587344470.db2.gz YTOCYGLGZBMTQC-PRHODGIISA-N 0 1 239.746 3.242 20 10 BGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CC[C@@H]2C)cc1Cl ZINC000825893397 587344267 /nfs/dbraw/zinc/34/42/67/587344267.db2.gz YTOCYGLGZBMTQC-QPUJVOFHSA-N 0 1 239.746 3.242 20 10 BGCDMN Cc1cc([O-])c(C[NH2+][C@H]2CC[C@@H]2C)cc1Cl ZINC000825893398 587344172 /nfs/dbraw/zinc/34/41/72/587344172.db2.gz YTOCYGLGZBMTQC-UFBFGSQYSA-N 0 1 239.746 3.242 20 10 BGCDMN Cc1cc([O-])c(C[NH2+]CCCCF)cc1Cl ZINC000825954883 587346319 /nfs/dbraw/zinc/34/63/19/587346319.db2.gz CBVCUOKIQZCELT-UHFFFAOYSA-N 0 1 245.725 3.193 20 10 BGCDMN CC[C@@H]1CC[N@H+]1Cc1cc(Cl)c(C)cc1[O-] ZINC000825992467 587347966 /nfs/dbraw/zinc/34/79/66/587347966.db2.gz ZSFSPIQUEYOQKR-LLVKDONJSA-N 0 1 239.746 3.338 20 10 BGCDMN CC[C@@H]1CC[N@@H+]1Cc1cc(Cl)c(C)cc1[O-] ZINC000825992467 587347965 /nfs/dbraw/zinc/34/79/65/587347965.db2.gz ZSFSPIQUEYOQKR-LLVKDONJSA-N 0 1 239.746 3.338 20 10 BGCDMN CC[C@H]1CC[N@H+]1Cc1cc(Cl)c(C)cc1[O-] ZINC000825992471 587347862 /nfs/dbraw/zinc/34/78/62/587347862.db2.gz ZSFSPIQUEYOQKR-NSHDSACASA-N 0 1 239.746 3.338 20 10 BGCDMN CC[C@H]1CC[N@@H+]1Cc1cc(Cl)c(C)cc1[O-] ZINC000825992471 587347861 /nfs/dbraw/zinc/34/78/61/587347861.db2.gz ZSFSPIQUEYOQKR-NSHDSACASA-N 0 1 239.746 3.338 20 10 BGCDMN Cc1cc([O-])c(C[NH2+]CC[C@@H](C)F)cc1Cl ZINC000826017252 587348447 /nfs/dbraw/zinc/34/84/47/587348447.db2.gz QKMNPDFBKGAGQT-SECBINFHSA-N 0 1 245.725 3.192 20 10 BGCDMN Cc1cc([O-])c(C[NH2+]CC[C@H](C)F)cc1Cl ZINC000826017255 587348467 /nfs/dbraw/zinc/34/84/67/587348467.db2.gz QKMNPDFBKGAGQT-VIFPVBQESA-N 0 1 245.725 3.192 20 10 BGCDMN CCC1([NH2+]Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000826043705 587349465 /nfs/dbraw/zinc/34/94/65/587349465.db2.gz OVPVCHITHHXEAY-UHFFFAOYSA-N 0 1 239.746 3.386 20 10 BGCDMN [O-]c1c(C[NH2+][C@H]2C=CCC2)ccc2ccccc21 ZINC000826940297 587366291 /nfs/dbraw/zinc/36/62/91/587366291.db2.gz CECABENCVRKPJA-AWEZNQCLSA-N 0 1 239.318 3.354 20 10 BGCDMN [O-]c1c(C[NH2+][C@@H]2C=CCC2)ccc2ccccc21 ZINC000826940298 587366293 /nfs/dbraw/zinc/36/62/93/587366293.db2.gz CECABENCVRKPJA-CQSZACIVSA-N 0 1 239.318 3.354 20 10 BGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2C=CCC2)cc1Cl ZINC000826942226 712592734 /nfs/dbraw/zinc/59/27/34/712592734.db2.gz OBNJPNLZLKDQFC-LLVKDONJSA-N 0 1 237.730 3.162 20 10 BGCDMN Cc1cc([O-])c(C[NH2+][C@H]2C=CCC2)cc1Cl ZINC000826942241 712592641 /nfs/dbraw/zinc/59/26/41/712592641.db2.gz OBNJPNLZLKDQFC-NSHDSACASA-N 0 1 237.730 3.162 20 10 BGCDMN [O-]c1ccccc1C[N@@H+](CCC1CC1)CC1CC1 ZINC000827729104 587399955 /nfs/dbraw/zinc/39/99/55/587399955.db2.gz ROFGCYHSFBJJOX-UHFFFAOYSA-N 0 1 245.366 3.404 20 10 BGCDMN [O-]c1ccccc1C[N@H+](CCC1CC1)CC1CC1 ZINC000827729104 587399953 /nfs/dbraw/zinc/39/99/53/587399953.db2.gz ROFGCYHSFBJJOX-UHFFFAOYSA-N 0 1 245.366 3.404 20 10 BGCDMN C[N@H+](Cc1cccc(F)c1[O-])C[C@H]1CC1(C)C ZINC000827941597 587411751 /nfs/dbraw/zinc/41/17/51/587411751.db2.gz HBCRZUGHSHBSOT-LLVKDONJSA-N 0 1 237.318 3.009 20 10 BGCDMN C[N@H+](Cc1cccc(F)c1[O-])C[C@@H]1CC1(C)C ZINC000827941598 587411918 /nfs/dbraw/zinc/41/19/18/587411918.db2.gz HBCRZUGHSHBSOT-NSHDSACASA-N 0 1 237.318 3.009 20 10 BGCDMN CC[C@@H](C)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000835034305 587779306 /nfs/dbraw/zinc/77/93/06/587779306.db2.gz TVILXACVHZHSLV-LLVKDONJSA-N 0 1 229.323 3.434 20 10 BGCDMN CC[C@H](C)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000835034306 587779484 /nfs/dbraw/zinc/77/94/84/587779484.db2.gz TVILXACVHZHSLV-NSHDSACASA-N 0 1 229.323 3.434 20 10 BGCDMN CCC1(C)C[NH+](Cc2cc(Cl)ccc2[O-])C1 ZINC000839142395 585094736 /nfs/dbraw/zinc/09/47/36/585094736.db2.gz FNUWURNUELZXDY-UHFFFAOYSA-N 0 1 239.746 3.278 20 10 BGCDMN CCC1(C)C[NH+](Cc2c([O-])cccc2Cl)C1 ZINC000839143397 585094816 /nfs/dbraw/zinc/09/48/16/585094816.db2.gz PPEPTLAXIJONMN-UHFFFAOYSA-N 0 1 239.746 3.278 20 10 BGCDMN C[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1cc(F)ccc1[O-] ZINC000840823433 587923751 /nfs/dbraw/zinc/92/37/51/587923751.db2.gz ZLRPDQXPHIQSCN-DJBIQUGXSA-N 0 1 249.329 3.371 20 10 BGCDMN C[C@@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1cc(F)ccc1[O-] ZINC000840823435 587923515 /nfs/dbraw/zinc/92/35/15/587923515.db2.gz ZLRPDQXPHIQSCN-JYILRKAJSA-N 0 1 249.329 3.371 20 10 BGCDMN C[C@@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1cc(F)ccc1[O-] ZINC000840823437 587923686 /nfs/dbraw/zinc/92/36/86/587923686.db2.gz ZLRPDQXPHIQSCN-XYHOJCAOSA-N 0 1 249.329 3.371 20 10 BGCDMN Cc1cc([O-])c(C[NH2+]C2CCCC2)c(Cl)c1 ZINC000840871271 582867755 /nfs/dbraw/zinc/86/77/55/582867755.db2.gz BSKMHMPEJSYRJH-UHFFFAOYSA-N 0 1 239.746 3.386 20 10 BGCDMN CC[C@@H](C)[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840872147 587926944 /nfs/dbraw/zinc/92/69/44/587926944.db2.gz IYCBIBYHYAQHCB-SECBINFHSA-N 0 1 227.735 3.242 20 10 BGCDMN CC[C@H](C)[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840872149 587926221 /nfs/dbraw/zinc/92/62/21/587926221.db2.gz IYCBIBYHYAQHCB-VIFPVBQESA-N 0 1 227.735 3.242 20 10 BGCDMN CCCC[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840873225 587927037 /nfs/dbraw/zinc/92/70/37/587927037.db2.gz QBNNIVOVIWAXSM-UHFFFAOYSA-N 0 1 227.735 3.244 20 10 BGCDMN Cc1cc([O-])c(C[NH2+]CC(C)C)c(Cl)c1 ZINC000840873646 587927108 /nfs/dbraw/zinc/92/71/08/587927108.db2.gz SYSGCGYYMYWXQB-UHFFFAOYSA-N 0 1 227.735 3.100 20 10 BGCDMN Cc1cc([O-])c(C[NH2+][C@H](C)C2CC2)c(Cl)c1 ZINC000840875024 587926955 /nfs/dbraw/zinc/92/69/55/587926955.db2.gz BYMDWLWRHCZWNM-SECBINFHSA-N 0 1 239.746 3.242 20 10 BGCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)C2CC2)c(Cl)c1 ZINC000840875027 587927205 /nfs/dbraw/zinc/92/72/05/587927205.db2.gz BYMDWLWRHCZWNM-VIFPVBQESA-N 0 1 239.746 3.242 20 10 BGCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2C[C@H]2C)c(Cl)c1 ZINC000840875429 587927255 /nfs/dbraw/zinc/92/72/55/587927255.db2.gz GUHOAQIDDROXKB-NXEZZACHSA-N 0 1 239.746 3.100 20 10 BGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2C[C@@H]2C)c(Cl)c1 ZINC000840875430 587927240 /nfs/dbraw/zinc/92/72/40/587927240.db2.gz GUHOAQIDDROXKB-UWVGGRQHSA-N 0 1 239.746 3.100 20 10 BGCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2C[C@@H]2C)c(Cl)c1 ZINC000840875431 582872782 /nfs/dbraw/zinc/87/27/82/582872782.db2.gz GUHOAQIDDROXKB-VHSXEESVSA-N 0 1 239.746 3.100 20 10 BGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2C[C@H]2C)c(Cl)c1 ZINC000840875432 582873020 /nfs/dbraw/zinc/87/30/20/582873020.db2.gz GUHOAQIDDROXKB-ZJUUUORDSA-N 0 1 239.746 3.100 20 10 BGCDMN Cc1cc([O-])c(C[NH2+]CC2CCC2)c(Cl)c1 ZINC000840886030 587928163 /nfs/dbraw/zinc/92/81/63/587928163.db2.gz LTUCFUMAVDEFJK-UHFFFAOYSA-N 0 1 239.746 3.244 20 10 BGCDMN Cc1cc([O-])c(C[NH2+]C2CC(C)C2)c(Cl)c1 ZINC000840901757 587928527 /nfs/dbraw/zinc/92/85/27/587928527.db2.gz IKJZJUUTYUAPAL-UHFFFAOYSA-N 0 1 239.746 3.242 20 10 BGCDMN Cc1cc([O-])c(C[NH2+]CC2(C)CC2)c(Cl)c1 ZINC000840901824 587929029 /nfs/dbraw/zinc/92/90/29/587929029.db2.gz KLGQQMKUQAIOCS-UHFFFAOYSA-N 0 1 239.746 3.244 20 10 BGCDMN Cc1cc([O-])c(C[NH2+]CCC2CC2)c(Cl)c1 ZINC000840903714 587928465 /nfs/dbraw/zinc/92/84/65/587928465.db2.gz HXNGAZBRSLMQKI-UHFFFAOYSA-N 0 1 239.746 3.244 20 10 BGCDMN Cc1cc([O-])c(C[N@H+](C)C(C)C)c(Cl)c1 ZINC000840907360 587928506 /nfs/dbraw/zinc/92/85/06/587928506.db2.gz DCEZPSXHWCGEPB-UHFFFAOYSA-N 0 1 227.735 3.194 20 10 BGCDMN Cc1cc([O-])c(C[N@@H+](C)C(C)C)c(Cl)c1 ZINC000840907360 587928504 /nfs/dbraw/zinc/92/85/04/587928504.db2.gz DCEZPSXHWCGEPB-UHFFFAOYSA-N 0 1 227.735 3.194 20 10 BGCDMN CC[NH+](CC)Cc1c([O-])cc(C)cc1Cl ZINC000840907558 587928678 /nfs/dbraw/zinc/92/86/78/587928678.db2.gz HHIQFBWQJGLNIJ-UHFFFAOYSA-N 0 1 227.735 3.196 20 10 BGCDMN CCC[N@@H+](C)Cc1c([O-])cc(C)cc1Cl ZINC000840909425 587929795 /nfs/dbraw/zinc/92/97/95/587929795.db2.gz BJTURPYMVLOLNP-UHFFFAOYSA-N 0 1 227.735 3.196 20 10 BGCDMN CCC[N@H+](C)Cc1c([O-])cc(C)cc1Cl ZINC000840909425 587929794 /nfs/dbraw/zinc/92/97/94/587929794.db2.gz BJTURPYMVLOLNP-UHFFFAOYSA-N 0 1 227.735 3.196 20 10 BGCDMN CC[N@@H+](Cc1c([O-])cc(C)cc1Cl)C1CC1 ZINC000840909526 587929392 /nfs/dbraw/zinc/92/93/92/587929392.db2.gz FAHKANBABKYSCE-UHFFFAOYSA-N 0 1 239.746 3.338 20 10 BGCDMN CC[N@H+](Cc1c([O-])cc(C)cc1Cl)C1CC1 ZINC000840909526 587929390 /nfs/dbraw/zinc/92/93/90/587929390.db2.gz FAHKANBABKYSCE-UHFFFAOYSA-N 0 1 239.746 3.338 20 10 BGCDMN Cc1cc([O-])c(C[N@@H+](C)CC2CC2)c(Cl)c1 ZINC000840910074 587929184 /nfs/dbraw/zinc/92/91/84/587929184.db2.gz FEQKOXYPAUFMOF-UHFFFAOYSA-N 0 1 239.746 3.196 20 10 BGCDMN Cc1cc([O-])c(C[N@H+](C)CC2CC2)c(Cl)c1 ZINC000840910074 587929183 /nfs/dbraw/zinc/92/91/83/587929183.db2.gz FEQKOXYPAUFMOF-UHFFFAOYSA-N 0 1 239.746 3.196 20 10 BGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](C)C2)c(Cl)c1 ZINC000840911794 587929802 /nfs/dbraw/zinc/92/98/02/587929802.db2.gz RFNBENFHJJMLHM-SECBINFHSA-N 0 1 239.746 3.196 20 10 BGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](C)C2)c(Cl)c1 ZINC000840911794 587929801 /nfs/dbraw/zinc/92/98/01/587929801.db2.gz RFNBENFHJJMLHM-SECBINFHSA-N 0 1 239.746 3.196 20 10 BGCDMN Cc1cc(O)c(C[N@@H+]2CC[C@@H](C)C2)c(Cl)c1 ZINC000840911794 587929799 /nfs/dbraw/zinc/92/97/99/587929799.db2.gz RFNBENFHJJMLHM-SECBINFHSA-N 0 1 239.746 3.196 20 10 BGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](C)C2)c(Cl)c1 ZINC000840911795 587929619 /nfs/dbraw/zinc/92/96/19/587929619.db2.gz RFNBENFHJJMLHM-VIFPVBQESA-N 0 1 239.746 3.196 20 10 BGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](C)C2)c(Cl)c1 ZINC000840911795 587929618 /nfs/dbraw/zinc/92/96/18/587929618.db2.gz RFNBENFHJJMLHM-VIFPVBQESA-N 0 1 239.746 3.196 20 10 BGCDMN Cc1cc(O)c(C[N@@H+]2CC[C@H](C)C2)c(Cl)c1 ZINC000840911795 587929617 /nfs/dbraw/zinc/92/96/17/587929617.db2.gz RFNBENFHJJMLHM-VIFPVBQESA-N 0 1 239.746 3.196 20 10 BGCDMN Cc1cc([O-])c(C[N@H+](C)C2CCC2)c(Cl)c1 ZINC000840917810 587929556 /nfs/dbraw/zinc/92/95/56/587929556.db2.gz NFNYOEAGWAEJMA-UHFFFAOYSA-N 0 1 239.746 3.338 20 10 BGCDMN Cc1cc([O-])c(C[N@@H+](C)C2CCC2)c(Cl)c1 ZINC000840917810 587929555 /nfs/dbraw/zinc/92/95/55/587929555.db2.gz NFNYOEAGWAEJMA-UHFFFAOYSA-N 0 1 239.746 3.338 20 10 BGCDMN Cc1cc([O-])c(C[N@H+]2CCC2(C)C)c(Cl)c1 ZINC000840918365 587929808 /nfs/dbraw/zinc/92/98/08/587929808.db2.gz TYFAYNFYSALTEJ-UHFFFAOYSA-N 0 1 239.746 3.338 20 10 BGCDMN Cc1cc([O-])c(C[N@@H+]2CCC2(C)C)c(Cl)c1 ZINC000840918365 587929807 /nfs/dbraw/zinc/92/98/07/587929807.db2.gz TYFAYNFYSALTEJ-UHFFFAOYSA-N 0 1 239.746 3.338 20 10 BGCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]2C)c(Cl)c1 ZINC000840918724 587929687 /nfs/dbraw/zinc/92/96/87/587929687.db2.gz WXKXHAAASCHQJO-JTQLQIEISA-N 0 1 239.746 3.338 20 10 BGCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]2C)c(Cl)c1 ZINC000840918724 587929686 /nfs/dbraw/zinc/92/96/86/587929686.db2.gz WXKXHAAASCHQJO-JTQLQIEISA-N 0 1 239.746 3.338 20 10 BGCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]2C)c(Cl)c1 ZINC000840918725 587929739 /nfs/dbraw/zinc/92/97/39/587929739.db2.gz WXKXHAAASCHQJO-SNVBAGLBSA-N 0 1 239.746 3.338 20 10 BGCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H]2C)c(Cl)c1 ZINC000840918725 587929737 /nfs/dbraw/zinc/92/97/37/587929737.db2.gz WXKXHAAASCHQJO-SNVBAGLBSA-N 0 1 239.746 3.338 20 10 BGCDMN Cc1cc([O-])c(C[NH+]2CCCCC2)c(Cl)c1 ZINC000840921412 587930248 /nfs/dbraw/zinc/93/02/48/587930248.db2.gz ZQOGUTGFEVSMAQ-UHFFFAOYSA-N 0 1 239.746 3.340 20 10 BGCDMN Cc1cc([O-])c(C[N@@H+]2CC=CCC2)c(Cl)c1 ZINC000840936499 587930518 /nfs/dbraw/zinc/93/05/18/587930518.db2.gz KGQZLGSZRCBFLS-UHFFFAOYSA-N 0 1 237.730 3.116 20 10 BGCDMN Cc1cc([O-])c(C[N@H+]2CC=CCC2)c(Cl)c1 ZINC000840936499 587930517 /nfs/dbraw/zinc/93/05/17/587930517.db2.gz KGQZLGSZRCBFLS-UHFFFAOYSA-N 0 1 237.730 3.116 20 10 BGCDMN Cc1cc([O-])c(C[N@@H+]2[C@H](C)C[C@@H]2C)c(Cl)c1 ZINC000840940607 587930811 /nfs/dbraw/zinc/93/08/11/587930811.db2.gz AFMZFPXTOSJLFT-AOOOYVTPSA-N 0 1 239.746 3.337 20 10 BGCDMN Cc1cc([O-])c(C[N@H+]2[C@H](C)C[C@@H]2C)c(Cl)c1 ZINC000840940607 587930809 /nfs/dbraw/zinc/93/08/09/587930809.db2.gz AFMZFPXTOSJLFT-AOOOYVTPSA-N 0 1 239.746 3.337 20 10 BGCDMN Cc1cc([O-])c(C[NH+]2[C@H](C)C[C@H]2C)c(Cl)c1 ZINC000840940609 587930778 /nfs/dbraw/zinc/93/07/78/587930778.db2.gz AFMZFPXTOSJLFT-NXEZZACHSA-N 0 1 239.746 3.337 20 10 BGCDMN Cc1cc([O-])c(C[NH+]2[C@@H](C)C[C@@H]2C)c(Cl)c1 ZINC000840940611 587930893 /nfs/dbraw/zinc/93/08/93/587930893.db2.gz AFMZFPXTOSJLFT-UWVGGRQHSA-N 0 1 239.746 3.337 20 10 BGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CC[C@H]2C)c(Cl)c1 ZINC000840945763 587931340 /nfs/dbraw/zinc/93/13/40/587931340.db2.gz BAPFTGUDRNSAHI-BXKDBHETSA-N 0 1 239.746 3.242 20 10 BGCDMN Cc1cc([O-])c(C[NH2+][C@H]2CC[C@@H]2C)c(Cl)c1 ZINC000840945765 587931331 /nfs/dbraw/zinc/93/13/31/587931331.db2.gz BAPFTGUDRNSAHI-CABZTGNLSA-N 0 1 239.746 3.242 20 10 BGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CC[C@@H]2C)c(Cl)c1 ZINC000840945767 587931392 /nfs/dbraw/zinc/93/13/92/587931392.db2.gz BAPFTGUDRNSAHI-JOYOIKCWSA-N 0 1 239.746 3.242 20 10 BGCDMN Cc1cc([O-])c(C[NH2+][C@H]2CC[C@H]2C)c(Cl)c1 ZINC000840945769 587931149 /nfs/dbraw/zinc/93/11/49/587931149.db2.gz BAPFTGUDRNSAHI-SKDRFNHKSA-N 0 1 239.746 3.242 20 10 BGCDMN CC[C@H]1CC[N@@H+]1Cc1c([O-])cc(C)cc1Cl ZINC000840951261 587931727 /nfs/dbraw/zinc/93/17/27/587931727.db2.gz ZGYRYICCDYZECY-JTQLQIEISA-N 0 1 239.746 3.338 20 10 BGCDMN CC[C@H]1CC[N@H+]1Cc1c(O)cc(C)cc1Cl ZINC000840951261 587931725 /nfs/dbraw/zinc/93/17/25/587931725.db2.gz ZGYRYICCDYZECY-JTQLQIEISA-N 0 1 239.746 3.338 20 10 BGCDMN CC[C@@H]1CC[N@@H+]1Cc1c([O-])cc(C)cc1Cl ZINC000840951262 587932053 /nfs/dbraw/zinc/93/20/53/587932053.db2.gz ZGYRYICCDYZECY-SNVBAGLBSA-N 0 1 239.746 3.338 20 10 BGCDMN CC[C@@H]1CC[N@H+]1Cc1c(O)cc(C)cc1Cl ZINC000840951262 587932051 /nfs/dbraw/zinc/93/20/51/587932051.db2.gz ZGYRYICCDYZECY-SNVBAGLBSA-N 0 1 239.746 3.338 20 10 BGCDMN CC1(C)C[C@@H]1[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000840956133 587931756 /nfs/dbraw/zinc/93/17/56/587931756.db2.gz DLCXSOFZMOOERU-AWEZNQCLSA-N 0 1 241.334 3.434 20 10 BGCDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000840978248 587933102 /nfs/dbraw/zinc/93/31/02/587933102.db2.gz NJBNQNZJNOGYFO-GFCCVEGCSA-N 0 1 249.329 3.153 20 10 BGCDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@H](C2CCC2)C1 ZINC000840978251 587933449 /nfs/dbraw/zinc/93/34/49/587933449.db2.gz NJBNQNZJNOGYFO-LBPRGKRZSA-N 0 1 249.329 3.153 20 10 BGCDMN CSCC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841745170 587973464 /nfs/dbraw/zinc/97/34/64/587973464.db2.gz VMZAQYZCDKLBEG-MRVPVSSYSA-N 0 1 245.775 3.059 20 10 BGCDMN CSCC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841745171 587973910 /nfs/dbraw/zinc/97/39/10/587973910.db2.gz VMZAQYZCDKLBEG-QMMMGPOBSA-N 0 1 245.775 3.059 20 10 BGCDMN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C(C)(C)C ZINC000843431114 588109388 /nfs/dbraw/zinc/10/93/88/588109388.db2.gz MPAXHPJVJFMRBZ-UHFFFAOYSA-N 0 1 245.725 3.415 20 10 BGCDMN C[N@@H+](Cc1c([O-])ccc(Cl)c1F)C(C)(C)C ZINC000843431744 588109166 /nfs/dbraw/zinc/10/91/66/588109166.db2.gz YERNKYJFQIGQOV-UHFFFAOYSA-N 0 1 245.725 3.415 20 10 BGCDMN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C(C)(C)C ZINC000843433448 588110010 /nfs/dbraw/zinc/11/00/10/588110010.db2.gz ZALMLCGOAQCTJX-UHFFFAOYSA-N 0 1 245.725 3.415 20 10 BGCDMN [O-]c1c(F)cccc1C[N@H+]1CCC12CCCC2 ZINC000846000511 588253274 /nfs/dbraw/zinc/25/32/74/588253274.db2.gz SHJHAWGILFBLQR-UHFFFAOYSA-N 0 1 235.302 3.050 20 10 BGCDMN CC[C@@H]1CC[C@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000846056271 645396053 /nfs/dbraw/zinc/39/60/53/645396053.db2.gz SGKDVBILMYULTG-BXKDBHETSA-N 0 1 239.746 3.324 20 10 BGCDMN CC[C@H]1CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000846056272 645396700 /nfs/dbraw/zinc/39/67/00/645396700.db2.gz SGKDVBILMYULTG-CABZTGNLSA-N 0 1 239.746 3.324 20 10 BGCDMN CC[C@H]1CC[C@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000846056273 645398410 /nfs/dbraw/zinc/39/84/10/645398410.db2.gz SGKDVBILMYULTG-JOYOIKCWSA-N 0 1 239.746 3.324 20 10 BGCDMN CC[C@@H]1CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000846056274 645397833 /nfs/dbraw/zinc/39/78/33/645397833.db2.gz SGKDVBILMYULTG-SKDRFNHKSA-N 0 1 239.746 3.324 20 10 BGCDMN CCc1cccc(C[N@@H+]2CC=C(C)CC2)c1O ZINC000848887403 588416696 /nfs/dbraw/zinc/41/66/96/588416696.db2.gz VNUZTEUJNNYQFP-UHFFFAOYSA-N 0 1 231.339 3.107 20 10 BGCDMN CCc1cccc(C[N@H+]2CCC3(CCC3)C2)c1O ZINC000848887539 588416811 /nfs/dbraw/zinc/41/68/11/588416811.db2.gz YNJBGDQXGKMJQF-UHFFFAOYSA-N 0 1 245.366 3.331 20 10 BGCDMN CCc1cccc(C[N@H+]2CCCC3(CC3)C2)c1O ZINC000848903750 588418316 /nfs/dbraw/zinc/41/83/16/588418316.db2.gz ZIXXOLAPFWIUKF-UHFFFAOYSA-N 0 1 245.366 3.331 20 10 BGCDMN CCc1ccc(C)nc1NCc1ccccc1O ZINC000850354799 588538509 /nfs/dbraw/zinc/53/85/09/588538509.db2.gz AEFXZAJBMKMUED-UHFFFAOYSA-N 0 1 242.322 3.270 20 10 BGCDMN Cc1cc([O-])c(C[NH2+][C@H]2C=CCC2)c(Cl)c1 ZINC000850359438 588539839 /nfs/dbraw/zinc/53/98/39/588539839.db2.gz HYKBBQOSBXFCBZ-JTQLQIEISA-N 0 1 237.730 3.162 20 10 BGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2C=CCC2)c(Cl)c1 ZINC000850359439 588539968 /nfs/dbraw/zinc/53/99/68/588539968.db2.gz HYKBBQOSBXFCBZ-SNVBAGLBSA-N 0 1 237.730 3.162 20 10 BGCDMN C[C@H]([NH2+][C@@H]1C=CCC1)c1ccc(Cl)cc1[O-] ZINC000850506183 588552731 /nfs/dbraw/zinc/55/27/31/588552731.db2.gz CFYATKDTLPAJLG-GXSJLCMTSA-N 0 1 237.730 3.415 20 10 BGCDMN C[C@@H]([NH2+][C@H]1C=CCC1)c1ccc(Cl)cc1[O-] ZINC000850506184 588552841 /nfs/dbraw/zinc/55/28/41/588552841.db2.gz CFYATKDTLPAJLG-KOLCDFICSA-N 0 1 237.730 3.415 20 10 BGCDMN C[C@@H]([NH2+][C@@H]1C=CCC1)c1ccc(Cl)cc1[O-] ZINC000850506185 588552844 /nfs/dbraw/zinc/55/28/44/588552844.db2.gz CFYATKDTLPAJLG-MWLCHTKSSA-N 0 1 237.730 3.415 20 10 BGCDMN C[C@H]([NH2+][C@H]1C=CCC1)c1ccc(Cl)cc1[O-] ZINC000850506186 588552976 /nfs/dbraw/zinc/55/29/76/588552976.db2.gz CFYATKDTLPAJLG-ONGXEEELSA-N 0 1 237.730 3.415 20 10 BGCDMN C[C@H]([NH2+][C@@H]1C=CCC1)c1cc(Cl)ccc1[O-] ZINC000850511014 588555341 /nfs/dbraw/zinc/55/53/41/588555341.db2.gz YQEKBQBZYRAGRF-GXSJLCMTSA-N 0 1 237.730 3.415 20 10 BGCDMN C[C@@H]([NH2+][C@H]1C=CCC1)c1cc(Cl)ccc1[O-] ZINC000850511015 588555242 /nfs/dbraw/zinc/55/52/42/588555242.db2.gz YQEKBQBZYRAGRF-KOLCDFICSA-N 0 1 237.730 3.415 20 10 BGCDMN C[C@@H]([NH2+][C@@H]1C=CCC1)c1cc(Cl)ccc1[O-] ZINC000850511017 588555598 /nfs/dbraw/zinc/55/55/98/588555598.db2.gz YQEKBQBZYRAGRF-MWLCHTKSSA-N 0 1 237.730 3.415 20 10 BGCDMN C[C@H]([NH2+][C@H]1C=CCC1)c1cc(Cl)ccc1[O-] ZINC000850511019 588555239 /nfs/dbraw/zinc/55/52/39/588555239.db2.gz YQEKBQBZYRAGRF-ONGXEEELSA-N 0 1 237.730 3.415 20 10 BGCDMN C/C=C\C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000858291040 588942437 /nfs/dbraw/zinc/94/24/37/588942437.db2.gz MGJZIFCUAPUJSX-ARJAWSKDSA-N 0 1 225.719 3.020 20 10 BGCDMN C/C=C/C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000858291041 588942512 /nfs/dbraw/zinc/94/25/12/588942512.db2.gz MGJZIFCUAPUJSX-ONEGZZNKSA-N 0 1 225.719 3.020 20 10 BGCDMN C/C=C/C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000858536917 588963839 /nfs/dbraw/zinc/96/38/39/588963839.db2.gz KZCGGFNUWVVDBB-CDAZIORVSA-N 0 1 225.719 3.272 20 10 BGCDMN C/C=C/C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000858536919 588963905 /nfs/dbraw/zinc/96/39/05/588963905.db2.gz KZCGGFNUWVVDBB-NWALNABHSA-N 0 1 225.719 3.272 20 10 BGCDMN C/C=C\C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000858536920 588963614 /nfs/dbraw/zinc/96/36/14/588963614.db2.gz KZCGGFNUWVVDBB-TYRPZCRBSA-N 0 1 225.719 3.272 20 10 BGCDMN C/C=C\C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000858536922 588963550 /nfs/dbraw/zinc/96/35/50/588963550.db2.gz KZCGGFNUWVVDBB-ZBJFTSOASA-N 0 1 225.719 3.272 20 10 BGCDMN C/C=C/C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000858538541 588963694 /nfs/dbraw/zinc/96/36/94/588963694.db2.gz VOBHPENHQDAJBG-CDAZIORVSA-N 0 1 225.719 3.272 20 10 BGCDMN C/C=C/C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000858538543 588963747 /nfs/dbraw/zinc/96/37/47/588963747.db2.gz VOBHPENHQDAJBG-NWALNABHSA-N 0 1 225.719 3.272 20 10 BGCDMN C/C=C\C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000858538545 588963506 /nfs/dbraw/zinc/96/35/06/588963506.db2.gz VOBHPENHQDAJBG-TYRPZCRBSA-N 0 1 225.719 3.272 20 10 BGCDMN C/C=C\C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000858538548 588963521 /nfs/dbraw/zinc/96/35/21/588963521.db2.gz VOBHPENHQDAJBG-ZBJFTSOASA-N 0 1 225.719 3.272 20 10 BGCDMN C/C=C\C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000862527571 589217797 /nfs/dbraw/zinc/21/77/97/589217797.db2.gz BVBZCQJWOFDGOP-ARJAWSKDSA-N 0 1 225.719 3.020 20 10 BGCDMN C/C=C/C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000862527573 589217695 /nfs/dbraw/zinc/21/76/95/589217695.db2.gz BVBZCQJWOFDGOP-ONEGZZNKSA-N 0 1 225.719 3.020 20 10 BGCDMN C[C@]1(C[NH2+]Cc2cc(F)ccc2[O-])C[C@H]2C[C@H]2C1 ZINC000862527902 589217715 /nfs/dbraw/zinc/21/77/15/589217715.db2.gz JYJSWVSXSPACNL-HBYGRHMLSA-N 0 1 249.329 3.057 20 10 BGCDMN Cc1cc([O-])c(C[NH2+]CC(C)(C)F)c(Cl)c1 ZINC000865653786 589454725 /nfs/dbraw/zinc/45/47/25/589454725.db2.gz ZHBCANLEKFVEBB-UHFFFAOYSA-N 0 1 245.725 3.192 20 10 BGCDMN C[C@@H]([NH2+]CC(C)(C)F)c1cc(Cl)ccc1[O-] ZINC000866408707 589491450 /nfs/dbraw/zinc/49/14/50/589491450.db2.gz OFUVPBJYJXHGRB-MRVPVSSYSA-N 0 1 245.725 3.444 20 10 BGCDMN C[C@H]([NH2+]CC(C)(C)F)c1cc(Cl)ccc1[O-] ZINC000866408708 589491472 /nfs/dbraw/zinc/49/14/72/589491472.db2.gz OFUVPBJYJXHGRB-QMMMGPOBSA-N 0 1 245.725 3.444 20 10 BGCDMN C[C@@H]([NH2+]CC(C)(C)F)c1ccc(Cl)cc1[O-] ZINC000866409705 589491103 /nfs/dbraw/zinc/49/11/03/589491103.db2.gz QXWIDCJZCZLYMG-MRVPVSSYSA-N 0 1 245.725 3.444 20 10 BGCDMN C[C@H]([NH2+]CC(C)(C)F)c1ccc(Cl)cc1[O-] ZINC000866409706 589491386 /nfs/dbraw/zinc/49/13/86/589491386.db2.gz QXWIDCJZCZLYMG-QMMMGPOBSA-N 0 1 245.725 3.444 20 10 BGCDMN Cc1ccc(C[N@H+](C)[C@@H](C)c2ccco2)c(O)c1 ZINC000876574552 590216876 /nfs/dbraw/zinc/21/68/76/590216876.db2.gz WIOAKAKDEXOLBI-LBPRGKRZSA-N 0 1 245.322 3.487 20 10 BGCDMN CCC[N@@H+](Cc1ccc(F)c(F)c1[O-])C1CC1 ZINC000876575690 590217615 /nfs/dbraw/zinc/21/76/15/590217615.db2.gz PBLDFKLQUBBQNR-UHFFFAOYSA-N 0 1 241.281 3.045 20 10 BGCDMN CC(C)[N@@H+](Cc1ccc(F)c(F)c1[O-])C1CC1 ZINC000876595252 584886353 /nfs/dbraw/zinc/88/63/53/584886353.db2.gz AQBDGHUUBKTMHV-UHFFFAOYSA-N 0 1 241.281 3.043 20 10 BGCDMN Cc1cccc([O-])c1C[N@H+](C)C(C1CC1)C1CC1 ZINC000876653299 590226154 /nfs/dbraw/zinc/22/61/54/590226154.db2.gz XOKCXLQXYKIOFR-UHFFFAOYSA-N 0 1 245.366 3.321 20 10 BGCDMN Cc1cccc([O-])c1C[N@@H+](C)C(C1CC1)C1CC1 ZINC000876653299 590226153 /nfs/dbraw/zinc/22/61/53/590226153.db2.gz XOKCXLQXYKIOFR-UHFFFAOYSA-N 0 1 245.366 3.321 20 10 BGCDMN Cc1ccc(C[N@H+](C)C(C2CC2)C2CC2)c([O-])c1 ZINC000876653325 590226439 /nfs/dbraw/zinc/22/64/39/590226439.db2.gz XWVRTRPXSMWLIY-UHFFFAOYSA-N 0 1 245.366 3.321 20 10 BGCDMN Cc1ccc(C[N@@H+](C)C(C2CC2)C2CC2)c([O-])c1 ZINC000876653325 590226438 /nfs/dbraw/zinc/22/64/38/590226438.db2.gz XWVRTRPXSMWLIY-UHFFFAOYSA-N 0 1 245.366 3.321 20 10 BGCDMN CC[N@@H+](Cc1ccc(F)c(F)c1[O-])C1CCC1 ZINC000876756877 590238818 /nfs/dbraw/zinc/23/88/18/590238818.db2.gz YTWUQGIXZZPDAH-UHFFFAOYSA-N 0 1 241.281 3.045 20 10 BGCDMN Cc1ccc(C[N@H+]2CCCC3(CC3)C2)c(O)c1 ZINC000877406910 590324332 /nfs/dbraw/zinc/32/43/32/590324332.db2.gz XKTNGPAPOYXHOF-UHFFFAOYSA-N 0 1 231.339 3.077 20 10 BGCDMN Cc1cccc(O)c1C[N@H+]1CCCC2(CC2)C1 ZINC000877406935 590323578 /nfs/dbraw/zinc/32/35/78/590323578.db2.gz XRAXUGCAGPWDPY-UHFFFAOYSA-N 0 1 231.339 3.077 20 10 BGCDMN Cc1ccc(C[N@H+]2CCC23CCCC3)c(O)c1 ZINC000877609309 590372664 /nfs/dbraw/zinc/37/26/64/590372664.db2.gz KEEMAKBTAIJNRT-UHFFFAOYSA-N 0 1 231.339 3.219 20 10 BGCDMN Cc1cccc(O)c1C[N@H+]1CCC12CCCC2 ZINC000877609732 590373016 /nfs/dbraw/zinc/37/30/16/590373016.db2.gz NMCYYJBCLCIDFS-UHFFFAOYSA-N 0 1 231.339 3.219 20 10 BGCDMN Cc1cccc(O)c1CN[C@@H](C)c1cscn1 ZINC000877624262 583339731 /nfs/dbraw/zinc/33/97/31/583339731.db2.gz COSJIELJEFYEAF-JTQLQIEISA-N 0 1 248.351 3.008 20 10 BGCDMN Cc1cccc(O)c1CN[C@H](C)c1cscn1 ZINC000877624263 583339471 /nfs/dbraw/zinc/33/94/71/583339471.db2.gz COSJIELJEFYEAF-SNVBAGLBSA-N 0 1 248.351 3.008 20 10 BGCDMN Cc1ccc(CN[C@@H](C)c2cscn2)c(O)c1 ZINC000877624932 590377040 /nfs/dbraw/zinc/37/70/40/590377040.db2.gz ISMGIBNNEVIVTK-JTQLQIEISA-N 0 1 248.351 3.008 20 10 BGCDMN Cc1ccc(CN[C@H](C)c2cscn2)c(O)c1 ZINC000877624933 590376999 /nfs/dbraw/zinc/37/69/99/590376999.db2.gz ISMGIBNNEVIVTK-SNVBAGLBSA-N 0 1 248.351 3.008 20 10 BGCDMN CC(C)(F)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000877663323 590387543 /nfs/dbraw/zinc/38/75/43/590387543.db2.gz PAOWGUDYHJTSTF-UHFFFAOYSA-N 0 1 247.313 3.383 20 10 BGCDMN Cc1cc([O-])c(C[NH2+]CC(C)(C)F)cc1Cl ZINC000877663754 590388845 /nfs/dbraw/zinc/38/88/45/590388845.db2.gz YQDPZNOOPXRWBY-UHFFFAOYSA-N 0 1 245.725 3.192 20 10 BGCDMN Cc1cc(CN2Cc3cccc(O)c3C2)cs1 ZINC000877702595 590395757 /nfs/dbraw/zinc/39/57/57/590395757.db2.gz CVTMNJWJGZPRDT-UHFFFAOYSA-N 0 1 245.347 3.278 20 10 BGCDMN CCC(CC)C[N@H+]1Cc2cccc(O)c2C1 ZINC000877702746 590395914 /nfs/dbraw/zinc/39/59/14/590395914.db2.gz FXZRACZNMVLMHX-UHFFFAOYSA-N 0 1 219.328 3.144 20 10 BGCDMN Oc1cccc2c1C[N@@H+](C[C@@H]1CC[C@@H]3C[C@@H]3C1)C2 ZINC000877702904 590396448 /nfs/dbraw/zinc/39/64/48/590396448.db2.gz JKOSFTVSRUNGIG-BZPMIXESSA-N 0 1 243.350 3.144 20 10 BGCDMN Cc1sccc1CN1Cc2cccc(O)c2C1 ZINC000877703120 590396681 /nfs/dbraw/zinc/39/66/81/590396681.db2.gz SBZLOAZZPVVMKV-UHFFFAOYSA-N 0 1 245.347 3.278 20 10 BGCDMN Cc1cc(CN2Cc3cccc(O)c3C2)c(C)o1 ZINC000877703235 590396099 /nfs/dbraw/zinc/39/60/99/590396099.db2.gz XPFKIWZXNZBEKR-UHFFFAOYSA-N 0 1 243.306 3.118 20 10 BGCDMN Cc1ccc(CN2Cc3cccc(O)c3C2)s1 ZINC000877703402 590396391 /nfs/dbraw/zinc/39/63/91/590396391.db2.gz HKOBMPGTTWCFCH-UHFFFAOYSA-N 0 1 245.347 3.278 20 10 BGCDMN CCC[N@@H+](Cc1cc(F)cc(F)c1[O-])C1CC1 ZINC000893938830 583253555 /nfs/dbraw/zinc/25/35/55/583253555.db2.gz BZVJBFPPEFBFJV-UHFFFAOYSA-N 0 1 241.281 3.045 20 10 BGCDMN CC(C)[N@@H+](Cc1cc(F)cc(F)c1[O-])C1CC1 ZINC000893953618 583261350 /nfs/dbraw/zinc/26/13/50/583261350.db2.gz GWIRJWIFLYYJLX-UHFFFAOYSA-N 0 1 241.281 3.043 20 10 BGCDMN Cc1cc([O-])c(C[N@@H+](C)CCCF)c(Cl)c1 ZINC000895895936 583743219 /nfs/dbraw/zinc/74/32/19/583743219.db2.gz ITJQSBNGOSNTNT-UHFFFAOYSA-N 0 1 245.725 3.145 20 10 BGCDMN Cc1cc([O-])c(C[N@H+](C)CCCF)c(Cl)c1 ZINC000895895936 583743217 /nfs/dbraw/zinc/74/32/17/583743217.db2.gz ITJQSBNGOSNTNT-UHFFFAOYSA-N 0 1 245.725 3.145 20 10 BGCDMN C[N@@H+](CCCF)Cc1ccc2ccccc2c1[O-] ZINC000895896514 583743337 /nfs/dbraw/zinc/74/33/37/583743337.db2.gz WHMRYWWWNBMVFR-UHFFFAOYSA-N 0 1 247.313 3.337 20 10 BGCDMN C[N@H+](CCCF)Cc1ccc2ccccc2c1[O-] ZINC000895896514 583743335 /nfs/dbraw/zinc/74/33/35/583743335.db2.gz WHMRYWWWNBMVFR-UHFFFAOYSA-N 0 1 247.313 3.337 20 10 BGCDMN C[N@@H+](CCCF)Cc1ccc2ccccc2c1O ZINC000895896514 583743333 /nfs/dbraw/zinc/74/33/33/583743333.db2.gz WHMRYWWWNBMVFR-UHFFFAOYSA-N 0 1 247.313 3.337 20 10 BGCDMN Cc1cc([O-])c(C[N@@H+](C)CCCF)cc1Cl ZINC000895896690 583744736 /nfs/dbraw/zinc/74/47/36/583744736.db2.gz YZTKRTAGLJGFKT-UHFFFAOYSA-N 0 1 245.725 3.145 20 10 BGCDMN Cc1cc([O-])c(C[N@H+](C)CCCF)cc1Cl ZINC000895896690 583744734 /nfs/dbraw/zinc/74/47/34/583744734.db2.gz YZTKRTAGLJGFKT-UHFFFAOYSA-N 0 1 245.725 3.145 20 10 BGCDMN Cc1cc([O-])c(C[NH2+]C/C=C\Cl)cc1Cl ZINC000898428050 584132715 /nfs/dbraw/zinc/13/27/15/584132715.db2.gz GTBDRDVPYRCXDZ-IHWYPQMZSA-N 0 1 246.137 3.196 20 10 BGCDMN Cc1cc([O-])c(C[NH2+]C/C=C/Cl)cc1Cl ZINC000898428053 584133265 /nfs/dbraw/zinc/13/32/65/584133265.db2.gz GTBDRDVPYRCXDZ-NSCUHMNNSA-N 0 1 246.137 3.196 20 10 BGCDMN Cc1cc([O-])c(C[NH2+]C/C=C\Cl)c(Cl)c1 ZINC000898428472 584133041 /nfs/dbraw/zinc/13/30/41/584133041.db2.gz IAARTRKBKZITCZ-IHWYPQMZSA-N 0 1 246.137 3.196 20 10 BGCDMN Cc1cc([O-])c(C[NH2+]C/C=C/Cl)c(Cl)c1 ZINC000898428473 584132838 /nfs/dbraw/zinc/13/28/38/584132838.db2.gz IAARTRKBKZITCZ-NSCUHMNNSA-N 0 1 246.137 3.196 20 10 BGCDMN CCCC[N@@H+](C)Cc1c([O-])ccc2ccncc21 ZINC000913064383 640288457 /nfs/dbraw/zinc/28/84/57/640288457.db2.gz QJUSNIJUUNYJOM-UHFFFAOYSA-N 0 1 244.338 3.172 20 10 BGCDMN CCCC[N@H+](C)Cc1c([O-])ccc2ccncc21 ZINC000913064383 640288451 /nfs/dbraw/zinc/28/84/51/640288451.db2.gz QJUSNIJUUNYJOM-UHFFFAOYSA-N 0 1 244.338 3.172 20 10 BGCDMN CCCC[N@@H+](C)Cc1c(O)ccc2ccncc21 ZINC000913064383 640288444 /nfs/dbraw/zinc/28/84/44/640288444.db2.gz QJUSNIJUUNYJOM-UHFFFAOYSA-N 0 1 244.338 3.172 20 10 BGCDMN Cc1cn[nH]c1CSc1ncc(Cl)s1 ZINC000918095300 642168336 /nfs/dbraw/zinc/16/83/36/642168336.db2.gz HFBCKDLFLVDSQB-UHFFFAOYSA-N 0 1 245.760 3.120 20 10 BGCDMN C[C@@H]([NH2+]C[C@]12C[C@H]1CCC2)c1cc(F)ccc1[O-] ZINC000927120611 637038073 /nfs/dbraw/zinc/03/80/73/637038073.db2.gz VNGYEZGMUAGKMQ-HFAKWTLXSA-N 0 1 249.329 3.372 20 10 BGCDMN