smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](C(=O)[O-])c1ccc2c(c1)Cc1ccccc1-2 ZINC000000000144 355890590 /nfs/dbraw/zinc/89/05/90/355890590.db2.gz LRXFKKPEBXIPMW-JTQLQIEISA-N -1 0 238.286 3.446 50 0 in-man BGAARM CC(C)[C@H]1Cc2ccc([C@H](C)C(=O)[O-])cc2C1 ZINC000000000403 342669573 /nfs/dbraw/zinc/66/95/73/342669573.db2.gz RYDUZJFCKYTEHX-GWCFXTLKSA-N -1 0 232.323 3.246 50 0 in-man BGAARM Cc1cc(=O)n([O-])c(C[C@@H](C)CC(C)(C)C)c1 ZINC000000000645 178052920 /nfs/dbraw/zinc/05/29/20/178052920.db2.gz OIQJEQLSYJSNDS-LLVKDONJSA-N -1 0 237.343 3.009 50 0 in-man BGAARM [O-]c1c(Cl)cc(Cl)c2cccnc12 ZINC000000001131 342669508 /nfs/dbraw/zinc/66/95/08/342669508.db2.gz WDFKMLRRRCGAKS-UHFFFAOYSA-N -1 0 214.051 3.247 50 0 world BGAARM O=C([O-])c1ccccc1NCCc1ccccc1 ZINC000000001355 342669323 /nfs/dbraw/zinc/66/93/23/342669323.db2.gz HLNLBEFKHHCAMV-UHFFFAOYSA-N -1 0 241.290 3.039 50 0 in-man BGAARM Cc1cccc(C)c1Nc1ncccc1C(=O)[O-] ZINC000000001694 179044774 /nfs/dbraw/zinc/04/47/74/179044774.db2.gz HUIJQYKRBFBVAO-UHFFFAOYSA-N -1 0 242.278 3.140 50 0 in-man BGAARM Cc1cccc(Nc2ncccc2C(=O)[O-])c1C ZINC000000001824 179159873 /nfs/dbraw/zinc/15/98/73/179159873.db2.gz XEQIPELDMSEBJG-UHFFFAOYSA-N -1 0 242.278 3.140 50 0 in-man BGAARM CC(C)Cc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000000002647 187244315 /nfs/dbraw/zinc/24/43/15/187244315.db2.gz HEFNNWSXXWATRW-JTQLQIEISA-N -1 0 206.285 3.073 50 0 fda BGAARM CC(C)Sc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000000004554 167337145 /nfs/dbraw/zinc/33/71/45/167337145.db2.gz ROMJDXPPIZDMLO-VIFPVBQESA-N -1 0 224.325 3.375 50 0 BGAARM CC[C@H](C(=O)[O-])c1ccc(CC(C)C)cc1 ZINC000000015537 171238808 /nfs/dbraw/zinc/23/88/08/171238808.db2.gz UULSXYSSHHRCQK-ZDUSSCGKSA-N -1 0 220.312 3.463 50 0 in-man BGAARM O=C([O-])c1cc2c(ccc3ccccc23)[nH]1 ZINC000000023582 491083715 /nfs/dbraw/zinc/08/37/15/491083715.db2.gz PZHFTOALJLZERX-UHFFFAOYSA-N -1 0 211.220 3.019 50 0 BGAARM Cc1c(Cl)c(Cl)nc(C(=O)[O-])c1Cl ZINC000000035803 342670696 /nfs/dbraw/zinc/67/06/96/342670696.db2.gz ZNMCIIPJPRILQT-UHFFFAOYSA-N -1 0 240.473 3.048 50 0 BGAARM O=C([O-])c1csc(-c2ccc(Cl)cc2)n1 ZINC000000035811 342670623 /nfs/dbraw/zinc/67/06/23/342670623.db2.gz OOINMGFADWPJPC-UHFFFAOYSA-N -1 0 239.683 3.162 50 0 BGAARM CC[C@H](C)SCc1cc(C(=O)[O-])oc1C ZINC000000036712 171356994 /nfs/dbraw/zinc/35/69/94/171356994.db2.gz BLQZTMZQZKDDTO-ZETCQYMHSA-N -1 0 228.313 3.318 50 0 BGAARM O=C([O-])[C@H](Cc1cccs1)c1ccccc1 ZINC000000037437 344042911 /nfs/dbraw/zinc/04/29/11/344042911.db2.gz SRDHAZNTMXQYGM-GFCCVEGCSA-N -1 0 232.304 3.159 50 0 BGAARM O=C([O-])[C@@H](Cc1cccs1)c1ccccc1 ZINC000000037438 344042773 /nfs/dbraw/zinc/04/27/73/344042773.db2.gz SRDHAZNTMXQYGM-LBPRGKRZSA-N -1 0 232.304 3.159 50 0 BGAARM CC(C)ONC(=O)Nc1cccc2ccccc21 ZINC000000037900 167277102 /nfs/dbraw/zinc/27/71/02/167277102.db2.gz YSGLBNFOVSAHJB-UHFFFAOYSA-N -1 0 244.294 3.301 50 0 BGAARM O=C([O-])C1CCC(c2ccccc2)CC1 ZINC000000041049 182428784 /nfs/dbraw/zinc/42/87/84/182428784.db2.gz SYYSTPDYCASVSQ-UHFFFAOYSA-N -1 0 204.269 3.045 50 0 BGAARM CCSc1sc(CC)cc1C(=O)[O-] ZINC000000042372 343268814 /nfs/dbraw/zinc/26/88/14/343268814.db2.gz XGWBLPLTVALFEI-UHFFFAOYSA-N -1 0 216.327 3.121 50 0 BGAARM O=C([O-])c1ccc(CSc2ccccn2)cc1 ZINC000000052099 182566138 /nfs/dbraw/zinc/56/61/38/182566138.db2.gz WVJPZRUUOGYPAV-UHFFFAOYSA-N -1 0 245.303 3.072 50 0 BGAARM Cc1ccc(/C=N/c2ccccc2C(=O)[O-])o1 ZINC000000052537 344101530 /nfs/dbraw/zinc/10/15/30/344101530.db2.gz KYRFYMZBROASKJ-RIYZIHGNSA-N -1 0 229.235 3.037 50 0 BGAARM Cc1ccc2nc(SCC(=O)[O-])cc(C)c2c1 ZINC000000054325 342671604 /nfs/dbraw/zinc/67/16/04/342671604.db2.gz ZJAGGHKSUVWJFT-UHFFFAOYSA-N -1 0 247.319 3.028 50 0 BGAARM Cc1cccc2c(C)cc(SCC(=O)[O-])nc12 ZINC000000054326 178218439 /nfs/dbraw/zinc/21/84/39/178218439.db2.gz CJPQHSHSXLRYFT-UHFFFAOYSA-N -1 0 247.319 3.028 50 0 BGAARM O=C([O-])/C=C/c1ccc(Cl)cc1Cl ZINC000000056451 383821335 /nfs/dbraw/zinc/82/13/35/383821335.db2.gz MEBWABJHRAYGFW-DUXPYHPUSA-N -1 0 217.051 3.091 50 0 in-vitro BGAARM O=C([O-])/C=C/c1ccc(Cl)c(Cl)c1 ZINC000000056453 384748172 /nfs/dbraw/zinc/74/81/72/384748172.db2.gz RRLUFPHCTSFKNR-DUXPYHPUSA-N -1 0 217.051 3.091 50 0 biogenic,in-vitro BGAARM O=C([O-])c1c(O)c(Cl)cc(Cl)c1Cl ZINC000000056739 182548831 /nfs/dbraw/zinc/54/88/31/182548831.db2.gz IIHCUZVBIMTHEB-UHFFFAOYSA-N -1 0 241.457 3.051 50 0 BGAARM O=C([O-])c1c(Cl)cc(Cl)cc1Cl ZINC000000056743 342671897 /nfs/dbraw/zinc/67/18/97/342671897.db2.gz RAFFVQBMVYYTQS-UHFFFAOYSA-N -1 0 225.458 3.345 50 0 BGAARM O=C([O-])c1cc(Cl)cc(Cl)c1Cl ZINC000000056775 342671997 /nfs/dbraw/zinc/67/19/97/342671997.db2.gz CGFDSIZRJWMQPP-UHFFFAOYSA-N -1 0 225.458 3.345 50 0 BGAARM O=C([O-])c1cc(C(F)(F)F)ccc1Cl ZINC000000056838 342671976 /nfs/dbraw/zinc/67/19/76/342671976.db2.gz WLXRKCGYQAKHSJ-UHFFFAOYSA-N -1 0 224.565 3.057 50 0 BGAARM O=c1oc2cc([O-])ccc2cc1-c1ccccc1 ZINC000000058069 187580479 /nfs/dbraw/zinc/58/04/79/187580479.db2.gz RIPZCQZTVDNJHQ-UHFFFAOYSA-N -1 0 238.242 3.166 50 0 in-vivo BGAARM O=C([O-])c1ccc(Oc2ccccc2)cc1 ZINC000000060939 342672135 /nfs/dbraw/zinc/67/21/35/342672135.db2.gz RYAQFHLUEMJOMF-UHFFFAOYSA-N -1 0 214.220 3.177 50 0 in-vitro BGAARM O=C([O-])c1ccc(CSCc2ccco2)cc1 ZINC000000060974 342672164 /nfs/dbraw/zinc/67/21/64/342672164.db2.gz YKWFODPJEKPJPA-UHFFFAOYSA-N -1 0 248.303 3.411 50 0 BGAARM COc1ccc2c(Cl)c(C(=O)[O-])sc2c1 ZINC000000064964 175204863 /nfs/dbraw/zinc/20/48/63/175204863.db2.gz LEAIEMOBUHEQNT-UHFFFAOYSA-N -1 0 242.683 3.262 50 0 BGAARM Cc1oc(-c2cccs2)cc1C(=O)[O-] ZINC000000066454 180527843 /nfs/dbraw/zinc/52/78/43/180527843.db2.gz YXDCRSXNEOKXDE-UHFFFAOYSA-N -1 0 208.238 3.015 50 0 BGAARM O=C([O-])c1sc2ccccc2c1Cl ZINC000000066959 182598590 /nfs/dbraw/zinc/59/85/90/182598590.db2.gz HJTMIYKPPPYDRJ-UHFFFAOYSA-N -1 0 212.657 3.253 50 0 BGAARM O=C([O-])[C@@H](c1ccccc1)C1CCCC1 ZINC000000068019 342672310 /nfs/dbraw/zinc/67/23/10/342672310.db2.gz BCJIDGDYYYBNNB-LBPRGKRZSA-N -1 0 204.269 3.045 50 0 BGAARM O=C([O-])[C@H](c1ccccc1)C1CCCC1 ZINC000000068025 342672419 /nfs/dbraw/zinc/67/24/19/342672419.db2.gz BCJIDGDYYYBNNB-GFCCVEGCSA-N -1 0 204.269 3.045 50 0 BGAARM O=C([O-])c1cc2c(s1)-c1ccccc1CC2 ZINC000000069806 342672742 /nfs/dbraw/zinc/67/27/42/342672742.db2.gz IGBRCZHGFVMFCR-UHFFFAOYSA-N -1 0 230.288 3.212 50 0 BGAARM Cc1cccc(N[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000000070537 179156058 /nfs/dbraw/zinc/15/60/58/179156058.db2.gz GPOCEGVKBMCEBU-AWEZNQCLSA-N -1 0 241.290 3.233 50 0 BGAARM Cc1cccc(N[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000000070539 179153791 /nfs/dbraw/zinc/15/37/91/179153791.db2.gz GPOCEGVKBMCEBU-CQSZACIVSA-N -1 0 241.290 3.233 50 0 BGAARM Cc1ccc(N[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000000070544 342672716 /nfs/dbraw/zinc/67/27/16/342672716.db2.gz MBFYSIABRBKLNY-AWEZNQCLSA-N -1 0 241.290 3.233 50 0 BGAARM Cc1ccc(N[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000000070549 178770027 /nfs/dbraw/zinc/77/00/27/178770027.db2.gz MBFYSIABRBKLNY-CQSZACIVSA-N -1 0 241.290 3.233 50 0 BGAARM O=C([O-])c1ccccc1Nc1ccccc1F ZINC000000072662 342672712 /nfs/dbraw/zinc/67/27/12/342672712.db2.gz NKJTXYMGRFCARD-UHFFFAOYSA-N -1 0 231.226 3.268 50 0 BGAARM O=C([O-])c1cc(-c2ccco2)nc2ccccc21 ZINC000000074195 342673118 /nfs/dbraw/zinc/67/31/18/342673118.db2.gz WWEKTFINADFAEC-UHFFFAOYSA-N -1 0 239.230 3.193 50 0 BGAARM O=C([O-])[C@H](C=C(Cl)Cl)c1ccccc1 ZINC000000074738 344237138 /nfs/dbraw/zinc/23/71/38/344237138.db2.gz UPAQVKNLEMIPDE-MRVPVSSYSA-N -1 0 231.078 3.174 50 0 BGAARM O=C([O-])[C@@H](C=C(Cl)Cl)c1ccccc1 ZINC000000074742 344237601 /nfs/dbraw/zinc/23/76/01/344237601.db2.gz UPAQVKNLEMIPDE-QMMMGPOBSA-N -1 0 231.078 3.174 50 0 BGAARM O=C([O-])C1c2ccccc2Oc2ccccc21 ZINC000000078659 383823355 /nfs/dbraw/zinc/82/33/55/383823355.db2.gz VSBFNCXKYIEYIS-UHFFFAOYSA-N -1 0 226.231 3.009 50 0 biogenic,in-vitro BGAARM O=C([O-])/C(=C/c1ccccc1)c1ccccc1 ZINC000000080747 182408028 /nfs/dbraw/zinc/40/80/28/182408028.db2.gz BIDDLDNGQCUOJQ-SDNWHVSQSA-N -1 0 224.259 3.312 50 0 biogenic,in-vitro BGAARM O=C([O-])/C(=C\c1ccccc1)c1ccccc1 ZINC000000080749 383824070 /nfs/dbraw/zinc/82/40/70/383824070.db2.gz BIDDLDNGQCUOJQ-KAMYIIQDSA-N -1 0 224.259 3.312 50 0 in-vitro BGAARM O=C([O-])CSCc1cccc2ccccc21 ZINC000000083473 182471831 /nfs/dbraw/zinc/47/18/31/182471831.db2.gz ILWCKTCKRREVNT-UHFFFAOYSA-N -1 0 232.304 3.158 50 0 in-vitro BGAARM Cc1[nH]c2ccc(C(C)C)cc2c1CC(=O)[O-] ZINC000000084191 342673403 /nfs/dbraw/zinc/67/34/03/342673403.db2.gz ALIINNFCFLDTPN-UHFFFAOYSA-N -1 0 231.295 3.227 50 0 BGAARM O=C([O-])CSc1cccc2ccccc21 ZINC000000085145 383824805 /nfs/dbraw/zinc/82/48/05/383824805.db2.gz PIQCZHHPDSYZPP-UHFFFAOYSA-N -1 0 218.277 3.017 50 0 BGAARM CSC(=S)[N-]c1ccc(F)cc1F ZINC000000091042 383824207 /nfs/dbraw/zinc/82/42/07/383824207.db2.gz NZPGCSVBJUFVEI-UHFFFAOYSA-N -1 0 219.281 3.025 50 0 BGAARM CSC(=S)[N-]c1ccc(Cl)cc1 ZINC000000091044 383824249 /nfs/dbraw/zinc/82/42/49/383824249.db2.gz KKVFZIARMREJRL-UHFFFAOYSA-N -1 0 217.746 3.400 50 0 BGAARM O=C([O-])c1cccnc1Oc1ccc(Cl)cc1 ZINC000000092431 182584422 /nfs/dbraw/zinc/58/44/22/182584422.db2.gz FVAZJGJEENAKRJ-UHFFFAOYSA-N -1 0 249.653 3.226 50 0 BGAARM O=C([O-])CCc1ccc(-c2ccc(Cl)cc2)[nH]1 ZINC000000094790 383827979 /nfs/dbraw/zinc/82/79/79/383827979.db2.gz DCUHPFSWWKZTNU-UHFFFAOYSA-N -1 0 249.697 3.352 50 0 BGAARM Cc1ccc(-c2ccc(CCC(=O)[O-])[nH]2)cc1 ZINC000000094843 178324234 /nfs/dbraw/zinc/32/42/34/178324234.db2.gz WZGDOFSPJPDKIO-UHFFFAOYSA-N -1 0 229.279 3.007 50 0 BGAARM O=C([O-])CCc1ccc(-c2cccs2)o1 ZINC000000099261 383827046 /nfs/dbraw/zinc/82/70/46/383827046.db2.gz ADIPPCCQUCTDJD-UHFFFAOYSA-N -1 0 222.265 3.025 50 0 BGAARM O=C([O-])CCSc1ccc2ccccc2c1 ZINC000000101228 182450311 /nfs/dbraw/zinc/45/03/11/182450311.db2.gz XMQJAJQNGNSZFY-UHFFFAOYSA-N -1 0 232.304 3.407 50 0 BGAARM COc1ccc2cc([C@H](C)C(=O)[O-])ccc2c1 ZINC000000105216 175224521 /nfs/dbraw/zinc/22/45/21/175224521.db2.gz CMWTZPSULFXXJA-VIFPVBQESA-N -1 0 230.263 3.037 50 0 fda BGAARM Cc1onc(-c2ccccc2Cl)c1C(=O)[O-] ZINC000000105306 180552015 /nfs/dbraw/zinc/55/20/15/180552015.db2.gz UVEPOHNXGXVOJE-UHFFFAOYSA-N -1 0 237.642 3.002 50 0 BGAARM C[C@@H](CSc1ccc(Cl)cc1)C(=O)[O-] ZINC000000107153 342674746 /nfs/dbraw/zinc/67/47/46/342674746.db2.gz ZSTRUEASXLQXCM-ZETCQYMHSA-N -1 0 230.716 3.153 50 0 BGAARM C[C@H](CSc1ccc(Cl)cc1)C(=O)[O-] ZINC000000107155 342674748 /nfs/dbraw/zinc/67/47/48/342674748.db2.gz ZSTRUEASXLQXCM-SSDOTTSWSA-N -1 0 230.716 3.153 50 0 BGAARM C[C@]12CC3CC(C(=O)[O-])(C1)C[C@@](C)(C3)C2 ZINC000000107439 342674622 /nfs/dbraw/zinc/67/46/22/342674622.db2.gz BSWOQWGHXZTDOO-QGVZIFMBSA-N -1 0 208.301 3.068 50 0 BGAARM O=C([O-])CCC12CC3CC(CC(C3)C1)C2 ZINC000000107448 383827494 /nfs/dbraw/zinc/82/74/94/383827494.db2.gz MQLZRIWOJRILDI-UHFFFAOYSA-N -1 0 208.301 3.068 50 0 BGAARM O=C([O-])c1ccc([C@H]2CC2(Cl)Cl)cc1 ZINC000000107864 344543915 /nfs/dbraw/zinc/54/39/15/344543915.db2.gz YEFQPTMMFJKPDU-MRVPVSSYSA-N -1 0 231.078 3.046 50 0 BGAARM O=C([O-])c1ccc([C@@H]2CC2(Cl)Cl)cc1 ZINC000000107866 187582850 /nfs/dbraw/zinc/58/28/50/187582850.db2.gz YEFQPTMMFJKPDU-QMMMGPOBSA-N -1 0 231.078 3.046 50 0 BGAARM O=C([O-])/C(=C/c1cccs1)c1cccs1 ZINC000000108035 383827422 /nfs/dbraw/zinc/82/74/22/383827422.db2.gz CWLNDKQJHPKCEM-VQHVLOKHSA-N -1 0 236.317 3.435 50 0 BGAARM O=C([O-])/C(=C\c1cccs1)c1cccs1 ZINC000000108037 383826389 /nfs/dbraw/zinc/82/63/89/383826389.db2.gz CWLNDKQJHPKCEM-CLFYSBASSA-N -1 0 236.317 3.435 50 0 BGAARM Cc1cc(C(C)(C)C)cc(C)c1C(=O)[O-] ZINC000000108404 383827899 /nfs/dbraw/zinc/82/78/99/383827899.db2.gz BEVOWXHJERCALW-UHFFFAOYSA-N -1 0 206.285 3.299 50 0 BGAARM C#CC(CC)(CC)Nc1ccsc1C(=O)[O-] ZINC000000108674 166113196 /nfs/dbraw/zinc/11/31/96/166113196.db2.gz IJNZNXQLANOYJT-UHFFFAOYSA-N -1 0 237.324 3.050 50 0 BGAARM O=C([O-])CCc1ccc(Cl)cc1Cl ZINC000000110576 383828235 /nfs/dbraw/zinc/82/82/35/383828235.db2.gz HLNPVFSCAMKIOD-UHFFFAOYSA-N -1 0 219.067 3.011 50 0 BGAARM O=C([O-])c1ccc(-c2ccccc2F)cc1 ZINC000000111037 342675147 /nfs/dbraw/zinc/67/51/47/342675147.db2.gz SLKZDWAZOKIEEU-UHFFFAOYSA-N -1 0 216.211 3.191 50 0 BGAARM CC(C)Cc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000000113398 383827387 /nfs/dbraw/zinc/82/73/87/383827387.db2.gz HEFNNWSXXWATRW-SNVBAGLBSA-N -1 0 206.285 3.073 50 0 fda BGAARM COc1ccc2cc([C@@H](C)C(=O)[O-])ccc2c1 ZINC000000113439 175224651 /nfs/dbraw/zinc/22/46/51/175224651.db2.gz CMWTZPSULFXXJA-SECBINFHSA-N -1 0 230.263 3.037 50 0 world BGAARM O=C([O-])C[C@@H](c1ccc(Cl)cc1)n1cccc1 ZINC000000118433 383831115 /nfs/dbraw/zinc/83/11/15/383831115.db2.gz MGUALOLWCRAAAA-LBPRGKRZSA-N -1 0 249.697 3.206 50 0 BGAARM O=C([O-])C[C@H](c1ccc(Cl)cc1)n1cccc1 ZINC000000118438 383829342 /nfs/dbraw/zinc/82/93/42/383829342.db2.gz MGUALOLWCRAAAA-GFCCVEGCSA-N -1 0 249.697 3.206 50 0 BGAARM O=C([O-])C1(c2ccc(Cl)cc2)CCCC1 ZINC000000119473 383829964 /nfs/dbraw/zinc/82/99/64/383829964.db2.gz QJNFJEMGWIQMJT-UHFFFAOYSA-N -1 0 224.687 3.236 50 0 BGAARM O=C([O-])CCCC12CC3CC(CC(C3)C1)C2 ZINC000000124639 398277246 /nfs/dbraw/zinc/27/72/46/398277246.db2.gz UMVGUIRJTRHXGQ-UHFFFAOYSA-N -1 0 222.328 3.458 50 0 BGAARM C=Cc1c(C)c(C(=O)[O-])sc1SC ZINC000000125665 187755586 /nfs/dbraw/zinc/75/55/86/187755586.db2.gz YYBMYUZFQKZPKK-UHFFFAOYSA-N -1 0 214.311 3.120 50 0 BGAARM O=c1cc(-c2ccc(Cl)cc2Cl)[n-][nH]1 ZINC000000129365 183255015 /nfs/dbraw/zinc/25/50/15/183255015.db2.gz IMVAWTBTBLAGIP-UHFFFAOYSA-N -1 0 229.066 3.089 50 0 BGAARM C[C@H](C(=O)[O-])c1cccc2ccccc21 ZINC000000130072 344558912 /nfs/dbraw/zinc/55/89/12/344558912.db2.gz VKCNNDPZFOVURD-VIFPVBQESA-N -1 0 200.237 3.028 50 0 BGAARM C[C@@H](C(=O)[O-])c1cccc2ccccc21 ZINC000000130075 175627656 /nfs/dbraw/zinc/62/76/56/175627656.db2.gz VKCNNDPZFOVURD-SECBINFHSA-N -1 0 200.237 3.028 50 0 BGAARM CC(C)(C)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000000131513 188452168 /nfs/dbraw/zinc/45/21/68/188452168.db2.gz QFSPZKLJQZSLQU-RMKNXTFCSA-N -1 0 204.269 3.082 50 0 in-vitro BGAARM O=C([O-])CSc1cccc(Cl)c1Cl ZINC000000131919 383831266 /nfs/dbraw/zinc/83/12/66/383831266.db2.gz NEXGUAUTGPGLCE-UHFFFAOYSA-N -1 0 237.107 3.170 50 0 BGAARM Cc1ccc(Sc2ncccc2C(=O)[O-])cc1 ZINC000000131927 383829657 /nfs/dbraw/zinc/82/96/57/383829657.db2.gz VEZNUKVMXCLWMM-UHFFFAOYSA-N -1 0 245.303 3.239 50 0 BGAARM O=C([O-])CSc1ccc(Cl)cc1Cl ZINC000000131966 383830216 /nfs/dbraw/zinc/83/02/16/383830216.db2.gz MDQZIQPTGRZCOQ-UHFFFAOYSA-N -1 0 237.107 3.170 50 0 BGAARM O=C([O-])C1Cc2ccccc2-c2ccccc2C1 ZINC000000133350 383830578 /nfs/dbraw/zinc/83/05/78/383830578.db2.gz WZOCZHONAIWHPW-UHFFFAOYSA-N -1 0 238.286 3.153 50 0 BGAARM Cc1ccc(C)c(OCc2ccc(C(=O)[O-])o2)c1 ZINC000000133405 383832376 /nfs/dbraw/zinc/83/23/76/383832376.db2.gz PKGYFRFZXOJFDA-UHFFFAOYSA-N -1 0 246.262 3.174 50 0 BGAARM Cc1cc(C)cc(OCc2ccc(C(=O)[O-])o2)c1 ZINC000000133434 342676503 /nfs/dbraw/zinc/67/65/03/342676503.db2.gz BZOHCGBUYXTIKB-UHFFFAOYSA-N -1 0 246.262 3.174 50 0 BGAARM CC(C)(C)Sc1ccc(C(=O)[O-])s1 ZINC000000134511 344561464 /nfs/dbraw/zinc/56/14/64/344561464.db2.gz FQNJEAHKKHVTJD-UHFFFAOYSA-N -1 0 216.327 3.337 50 0 BGAARM CC(/C=C/c1c[nH]c2ccccc12)=C/C(=O)[O-] ZINC000000134858 385277812 /nfs/dbraw/zinc/27/78/12/385277812.db2.gz MYZOWPQEARTBQG-QDJLDCPTSA-N -1 0 227.263 3.212 50 0 BGAARM CCC12C[C@H]3C[C@@H](C1)CC(C(=O)[O-])(C3)C2 ZINC000000134944 168507340 /nfs/dbraw/zinc/50/73/40/168507340.db2.gz ZJBLNYRNJSFPQO-ASZHBFLOSA-N -1 0 208.301 3.068 50 0 BGAARM O=C([O-])c1ccc(-c2ccc(Cl)cc2)o1 ZINC000000135054 182561631 /nfs/dbraw/zinc/56/16/31/182561631.db2.gz XIPQHWUSDHTXOO-UHFFFAOYSA-N -1 0 222.627 3.298 50 0 BGAARM Cc1ccc(OCc2ccc(C(=O)[O-])o2)cc1C ZINC000000135513 383832939 /nfs/dbraw/zinc/83/29/39/383832939.db2.gz LLEWJDBXUXGLSS-UHFFFAOYSA-N -1 0 246.262 3.174 50 0 BGAARM CCc1ccc(OCc2ccc(C(=O)[O-])o2)cc1 ZINC000000135514 383832592 /nfs/dbraw/zinc/83/25/92/383832592.db2.gz AODZZHSIEMSDEZ-UHFFFAOYSA-N -1 0 246.262 3.119 50 0 BGAARM O=C(c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000000136128 342676484 /nfs/dbraw/zinc/67/64/84/342676484.db2.gz OMWSZDODENFLSV-UHFFFAOYSA-N -1 0 232.666 3.277 50 0 BGAARM O=C([O-])CC12C[C@H]3C[C@H](CC(Cl)(C3)C1)C2 ZINC000000136226 383833652 /nfs/dbraw/zinc/83/36/52/383833652.db2.gz JLHRDMZSPPRYGL-LRSDLPTKSA-N -1 0 228.719 3.039 50 0 BGAARM CC(C)C12CCCC(C(=O)[O-])(CCC1)C2 ZINC000000136264 342676711 /nfs/dbraw/zinc/67/67/11/342676711.db2.gz ITYSOQBJOWINDS-UHFFFAOYSA-N -1 0 210.317 3.458 50 0 BGAARM O=C([O-])Cc1ccccc1Sc1ccccc1 ZINC000000136344 383832955 /nfs/dbraw/zinc/83/29/55/383832955.db2.gz JMIYLNQBNSEKAO-UHFFFAOYSA-N -1 0 244.315 3.465 50 0 BGAARM COC(=S)[N-]c1ccc(C(C)C)cc1 ZINC000000138352 342676823 /nfs/dbraw/zinc/67/68/23/342676823.db2.gz ZDFJKZJSCNRRFU-UHFFFAOYSA-N -1 0 209.314 3.153 50 0 BGAARM COc1cccc(Oc2ccccc2C(=O)[O-])c1 ZINC000000138402 175284854 /nfs/dbraw/zinc/28/48/54/175284854.db2.gz SYHDRSQBOSNTHM-UHFFFAOYSA-N -1 0 244.246 3.186 50 0 BGAARM CC[C@@H](C)SCc1cc(C(=O)[O-])oc1C ZINC000000139480 342676836 /nfs/dbraw/zinc/67/68/36/342676836.db2.gz BLQZTMZQZKDDTO-SSDOTTSWSA-N -1 0 228.313 3.318 50 0 BGAARM Cc1c(C)c(C)c(C(=O)CCC(=O)[O-])c(C)c1C ZINC000000144107 177575715 /nfs/dbraw/zinc/57/57/15/177575715.db2.gz YYAUMZUANJPNQI-UHFFFAOYSA-N -1 0 248.322 3.276 50 0 BGAARM O=C([O-])/C=C/c1c(Cl)cccc1Cl ZINC000000145548 383833444 /nfs/dbraw/zinc/83/34/44/383833444.db2.gz OIPVGRCXMFBNAN-SNAWJCMRSA-N -1 0 217.051 3.091 50 0 biogenic,in-vitro BGAARM O=C([O-])CCc1ccc(Cl)c(Cl)c1 ZINC000000151738 383832857 /nfs/dbraw/zinc/83/28/57/383832857.db2.gz NHYJRLYFKZYPMO-UHFFFAOYSA-N -1 0 219.067 3.011 50 0 BGAARM O=C([O-])/C=C/c1ccc(-c2ccccc2)cc1 ZINC000000153711 383835409 /nfs/dbraw/zinc/83/54/09/383835409.db2.gz DMJDEZUEYXVYNO-DHZHZOJOSA-N -1 0 224.259 3.451 50 0 BGAARM O=C([O-])c1cc2sccc2nc1C(F)(F)F ZINC000000154245 342677647 /nfs/dbraw/zinc/67/76/47/342677647.db2.gz KKNFNNOZJDSWKR-UHFFFAOYSA-N -1 0 247.197 3.013 50 0 BGAARM COc1ccc(-c2csc(C(=O)[O-])c2)cc1 ZINC000000154270 175037474 /nfs/dbraw/zinc/03/74/74/175037474.db2.gz NWNYSAILYSWCEI-UHFFFAOYSA-N -1 0 234.276 3.122 50 0 BGAARM O=C([O-])c1ccccc1Nc1ccccc1 ZINC000000154642 342677781 /nfs/dbraw/zinc/67/77/81/342677781.db2.gz ZWJINEZUASEZBH-UHFFFAOYSA-N -1 0 213.236 3.128 50 0 in-vitro BGAARM CCC12C[C@H]3C[C@@H](C1)CC(CC(=O)[O-])(C3)C2 ZINC000000154737 342677848 /nfs/dbraw/zinc/67/78/48/342677848.db2.gz MRQRQHRHPXENRD-WHCAJBEMSA-N -1 0 222.328 3.458 50 0 BGAARM O=C([O-])c1ccccc1CCc1ccccc1 ZINC000000155141 342677661 /nfs/dbraw/zinc/67/76/61/342677661.db2.gz IOHPVZBSOKLVMN-UHFFFAOYSA-N -1 0 226.275 3.170 50 0 BGAARM O=C([O-])[C@@H](c1ccccc1)C1CCCCC1 ZINC000000155647 342677775 /nfs/dbraw/zinc/67/77/75/342677775.db2.gz AAJLPPDFIRPBDA-ZDUSSCGKSA-N -1 0 218.296 3.435 50 0 BGAARM O=C([O-])[C@H](c1ccccc1)C1CCCCC1 ZINC000000155648 342677810 /nfs/dbraw/zinc/67/78/10/342677810.db2.gz AAJLPPDFIRPBDA-CYBMUJFWSA-N -1 0 218.296 3.435 50 0 BGAARM O=C([O-])C1(c2ccc(Cl)cc2Cl)CC1 ZINC000000155670 383837041 /nfs/dbraw/zinc/83/70/41/383837041.db2.gz MIBWNJWOBDYPRS-UHFFFAOYSA-N -1 0 231.078 3.110 50 0 BGAARM Cc1ccc(C2(C(=O)[O-])CCCCC2)cc1 ZINC000000155683 178511093 /nfs/dbraw/zinc/51/10/93/178511093.db2.gz BEVYUARQHKRBMH-UHFFFAOYSA-N -1 0 218.296 3.282 50 0 BGAARM Cc1ccc(C(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000000155759 383836613 /nfs/dbraw/zinc/83/66/13/383836613.db2.gz JHAROMYZTGWTSG-OLZOCXBDSA-N -1 0 246.306 3.069 50 0 BGAARM O=C([O-])C1(c2cccc(F)c2)CCCCC1 ZINC000000155786 383835446 /nfs/dbraw/zinc/83/54/46/383835446.db2.gz RIQOIHJORXEGFT-UHFFFAOYSA-N -1 0 222.259 3.112 50 0 BGAARM O=C([O-])C1(c2ccc(F)cc2)CCCCC1 ZINC000000155790 383835830 /nfs/dbraw/zinc/83/58/30/383835830.db2.gz XQKPSVJXJIFYAU-UHFFFAOYSA-N -1 0 222.259 3.112 50 0 BGAARM O=C([O-])C1(c2ccc(F)cc2Cl)CCCC1 ZINC000000155791 383835400 /nfs/dbraw/zinc/83/54/00/383835400.db2.gz RKEURCWSQHENQO-UHFFFAOYSA-N -1 0 242.677 3.376 50 0 BGAARM O=C(Nc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000000156020 182376773 /nfs/dbraw/zinc/37/67/73/182376773.db2.gz KGYNGVVNFRUOOZ-UHFFFAOYSA-N -1 0 247.681 3.298 50 0 BGAARM O=c1cc(C(F)(F)F)[n-]c2c(F)cccc12 ZINC000000156144 183257412 /nfs/dbraw/zinc/25/74/12/183257412.db2.gz UQFKMXKVHWMPPC-UHFFFAOYSA-N -1 0 231.148 3.098 50 0 BGAARM O=C([O-])Cc1c(Cl)ccc(Cl)c1Cl ZINC000000156409 182487817 /nfs/dbraw/zinc/48/78/17/182487817.db2.gz QZXCCPZJCKEPSA-UHFFFAOYSA-N -1 0 239.485 3.274 50 0 in-vitro BGAARM O=C([O-])c1ccccc1Oc1ccccc1 ZINC000000156594 342677943 /nfs/dbraw/zinc/67/79/43/342677943.db2.gz PKRSYEPBQPFNRB-UHFFFAOYSA-N -1 0 214.220 3.177 50 0 in-vitro BGAARM O=C([O-])c1ccc(-c2cccc(Cl)c2)o1 ZINC000000156743 342677879 /nfs/dbraw/zinc/67/78/79/342677879.db2.gz OWEBZHHXEPQWQW-UHFFFAOYSA-N -1 0 222.627 3.298 50 0 BGAARM O=C([O-])Cc1cccc(Oc2ccccc2)c1 ZINC000000157001 383835714 /nfs/dbraw/zinc/83/57/14/383835714.db2.gz LEMRHTTWKDVQEI-UHFFFAOYSA-N -1 0 228.247 3.106 50 0 BGAARM O=C([O-])C=C1c2ccccc2-c2ccccc21 ZINC000000157338 182430578 /nfs/dbraw/zinc/43/05/78/182430578.db2.gz TUWTVRGEVPWFIX-UHFFFAOYSA-N -1 0 222.243 3.183 50 0 BGAARM CCC(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000000158046 168255165 /nfs/dbraw/zinc/25/51/65/168255165.db2.gz OYUBSDJHAZSFHZ-UHFFFAOYSA-N -1 0 219.067 3.292 50 0 BGAARM O=C([O-])c1ccc(-c2ccccc2)s1 ZINC000000158686 182562572 /nfs/dbraw/zinc/56/25/72/182562572.db2.gz QGMFBCDNJUZQBZ-UHFFFAOYSA-N -1 0 204.250 3.113 50 0 BGAARM O=C([O-])c1ccc(-c2cccs2)cc1 ZINC000000158700 342677914 /nfs/dbraw/zinc/67/79/14/342677914.db2.gz CVDUBQJEQNRCIZ-UHFFFAOYSA-N -1 0 204.250 3.113 50 0 BGAARM O=C([O-])c1ccc(-c2cccs2)s1 ZINC000000158796 342678128 /nfs/dbraw/zinc/67/81/28/342678128.db2.gz PTNWHEHDBNNKEO-UHFFFAOYSA-N -1 0 210.279 3.175 50 0 BGAARM O=C([O-])CCSc1cccc2ccccc21 ZINC000000161526 388805216 /nfs/dbraw/zinc/80/52/16/388805216.db2.gz YACOFFAUWZOOJH-UHFFFAOYSA-N -1 0 232.304 3.407 50 0 BGAARM O=C([O-])c1cccc(-c2cccs2)c1 ZINC000000162001 182575089 /nfs/dbraw/zinc/57/50/89/182575089.db2.gz SEIZFGIUKSSIJJ-UHFFFAOYSA-N -1 0 204.250 3.113 50 0 BGAARM O=C([O-])c1ccc(-c2ccsc2)cc1 ZINC000000162003 342678307 /nfs/dbraw/zinc/67/83/07/342678307.db2.gz FISAUHGRILVMDP-UHFFFAOYSA-N -1 0 204.250 3.113 50 0 BGAARM O=C([O-])Cc1csc2ccc(Cl)cc12 ZINC000000162019 383835664 /nfs/dbraw/zinc/83/56/64/383835664.db2.gz QQKKTOPRRGBBCT-UHFFFAOYSA-N -1 0 226.684 3.182 50 0 in-vitro BGAARM Cc1c(CC(=O)[O-])sc2ccc(Cl)cc12 ZINC000000162030 342678364 /nfs/dbraw/zinc/67/83/64/342678364.db2.gz QNJIHQOPIPJYLU-UHFFFAOYSA-N -1 0 240.711 3.490 50 0 in-vitro BGAARM O=C([O-])[C@@H](Cc1ccccc1)c1ccccc1 ZINC000000164149 182501603 /nfs/dbraw/zinc/50/16/03/182501603.db2.gz PCRICPYPVZKEBZ-AWEZNQCLSA-N -1 0 226.275 3.098 50 0 BGAARM O=C([O-])[C@H](Cc1ccccc1)c1ccccc1 ZINC000000164152 342678702 /nfs/dbraw/zinc/67/87/02/342678702.db2.gz PCRICPYPVZKEBZ-CQSZACIVSA-N -1 0 226.275 3.098 50 0 BGAARM CC(C)(Oc1ccc2ccccc2c1)C(=O)[O-] ZINC000000164660 383839732 /nfs/dbraw/zinc/83/97/32/383839732.db2.gz RVAWSQIHNATWNO-UHFFFAOYSA-N -1 0 230.263 3.082 50 0 BGAARM CC(C)(C)c1ccc(OC(C)(C)C(=O)[O-])cc1 ZINC000000164663 383838350 /nfs/dbraw/zinc/83/83/50/383838350.db2.gz MINZYOMFMKWNIN-UHFFFAOYSA-N -1 0 236.311 3.226 50 0 BGAARM O=C([O-])c1sccc1OCc1ccccc1 ZINC000000166421 342678630 /nfs/dbraw/zinc/67/86/30/342678630.db2.gz HUEDDFOWAJIHBA-UHFFFAOYSA-N -1 0 234.276 3.025 50 0 BGAARM Cc1nc(-c2ccc(C)cc2)sc1C(=O)[O-] ZINC000000168274 178333367 /nfs/dbraw/zinc/33/33/67/178333367.db2.gz AJUWPIKGVOGPRL-UHFFFAOYSA-N -1 0 233.292 3.125 50 0 BGAARM COc1ccc(-c2ccc(C(=O)[O-])s2)cc1 ZINC000000169643 175033011 /nfs/dbraw/zinc/03/30/11/175033011.db2.gz XLTXZWKQUHETLK-UHFFFAOYSA-N -1 0 234.276 3.122 50 0 BGAARM O=C([O-])CCc1ccccc1Oc1ccccc1 ZINC000000170422 383838919 /nfs/dbraw/zinc/83/89/19/383838919.db2.gz DQZITUPTGXSTQM-UHFFFAOYSA-N -1 0 242.274 3.496 50 0 BGAARM O=C([O-])c1ccc(OCc2cccc(F)c2)cc1 ZINC000000170449 182570354 /nfs/dbraw/zinc/57/03/54/182570354.db2.gz GSTZODCOPHCYCV-UHFFFAOYSA-N -1 0 246.237 3.103 50 0 BGAARM O=C([O-])c1cncc(C#CCC2CCCCC2)c1 ZINC000000170692 355892791 /nfs/dbraw/zinc/89/27/91/355892791.db2.gz OIXZVVLCCMRMDO-UHFFFAOYSA-N -1 0 243.306 3.102 50 0 BGAARM O=c1cc(C(F)(F)F)[n-]c2ccc(F)cc12 ZINC000000170946 183256883 /nfs/dbraw/zinc/25/68/83/183256883.db2.gz FNDABQIPEQHTNR-UHFFFAOYSA-N -1 0 231.148 3.098 50 0 BGAARM COC(=S)[N-]c1cc(Cl)cc(Cl)c1 ZINC000000172818 342679319 /nfs/dbraw/zinc/67/93/19/342679319.db2.gz JJNYLPZFIRIGGB-UHFFFAOYSA-N -1 0 236.123 3.337 50 0 BGAARM O=C([O-])c1ccc(CSCc2ccccc2)o1 ZINC000000177198 342679240 /nfs/dbraw/zinc/67/92/40/342679240.db2.gz CRBLYLGNCNZCEG-UHFFFAOYSA-N -1 0 248.303 3.411 50 0 BGAARM O=C([O-])C[C@H](c1ccco1)c1ccc(F)cc1 ZINC000000182804 383843207 /nfs/dbraw/zinc/84/32/07/383843207.db2.gz BUDQOVLQTWNZHM-NSHDSACASA-N -1 0 234.226 3.025 50 0 BGAARM O=C([O-])C[C@@H](c1ccco1)c1ccc(F)cc1 ZINC000000182807 383842620 /nfs/dbraw/zinc/84/26/20/383842620.db2.gz BUDQOVLQTWNZHM-LLVKDONJSA-N -1 0 234.226 3.025 50 0 BGAARM O=C([O-])c1ccc(NCc2cccs2)cc1 ZINC000000186488 342679452 /nfs/dbraw/zinc/67/94/52/342679452.db2.gz SHTQXYWTNXSOLW-UHFFFAOYSA-N -1 0 233.292 3.058 50 0 BGAARM O=C([O-])CSc1ccc(Cl)c(Cl)c1 ZINC000000188559 383841998 /nfs/dbraw/zinc/84/19/98/383841998.db2.gz KBDQNOMRWXPWIY-UHFFFAOYSA-N -1 0 237.107 3.170 50 0 BGAARM COc1ccccc1Oc1ccccc1C(=O)[O-] ZINC000000190807 175342893 /nfs/dbraw/zinc/34/28/93/175342893.db2.gz LFWIIPSSDWXVJZ-UHFFFAOYSA-N -1 0 244.246 3.186 50 0 BGAARM Cc1cccc(-c2cccc(C(=O)[O-])c2)c1 ZINC000000193228 342679866 /nfs/dbraw/zinc/67/98/66/342679866.db2.gz BJVLFJADOVATRU-UHFFFAOYSA-N -1 0 212.248 3.360 50 0 BGAARM Cc1cc(S[C@@H](C)C(=O)[O-])nc2ccccc12 ZINC000000193720 178218741 /nfs/dbraw/zinc/21/87/41/178218741.db2.gz PZYFRXRGRLCMPV-VIFPVBQESA-N -1 0 247.319 3.108 50 0 BGAARM Cc1cc(S[C@H](C)C(=O)[O-])nc2ccccc12 ZINC000000193726 178220200 /nfs/dbraw/zinc/22/02/00/178220200.db2.gz PZYFRXRGRLCMPV-SECBINFHSA-N -1 0 247.319 3.108 50 0 BGAARM Cc1ccc(C)n1-c1sc(C)c(C)c1C(=O)[O-] ZINC000000198128 180556632 /nfs/dbraw/zinc/55/66/32/180556632.db2.gz SSTIILNDWFESFQ-UHFFFAOYSA-N -1 0 249.335 3.471 50 0 BGAARM O=C([O-])c1sc2cc(F)ccc2c1Cl ZINC000000198793 342680087 /nfs/dbraw/zinc/68/00/87/342680087.db2.gz HSRSWUJIPYUCSE-UHFFFAOYSA-N -1 0 230.647 3.392 50 0 in-vitro BGAARM Cc1c(O)ccc2c3c(c(=O)oc12)CCCCC3 ZINC000000200896 342680162 /nfs/dbraw/zinc/68/01/62/342680162.db2.gz SWBDIHXOLXVPJG-UHFFFAOYSA-N -1 0 244.290 3.076 50 0 BGAARM Cc1ccc(C)n1-c1c(C)c(C)sc1C(=O)[O-] ZINC000000207825 342679966 /nfs/dbraw/zinc/67/99/66/342679966.db2.gz FJEQPPDVCVKRQF-UHFFFAOYSA-N -1 0 249.335 3.471 50 0 BGAARM Cc1ccc([C@@H](CC(=O)[O-])c2ccco2)cc1 ZINC000000209103 178852002 /nfs/dbraw/zinc/85/20/02/178852002.db2.gz SRXLYDLLEQHJJL-GFCCVEGCSA-N -1 0 230.263 3.195 50 0 BGAARM Cc1ccc([C@H](CC(=O)[O-])c2ccco2)cc1 ZINC000000209106 342680043 /nfs/dbraw/zinc/68/00/43/342680043.db2.gz SRXLYDLLEQHJJL-LBPRGKRZSA-N -1 0 230.263 3.195 50 0 BGAARM Cc1sc(N)c(C(=O)[O-])c1-c1ccc(C)cc1 ZINC000000213833 178317872 /nfs/dbraw/zinc/31/78/72/178317872.db2.gz GHAADNNCQUAOPY-UHFFFAOYSA-N -1 0 247.319 3.312 50 0 BGAARM O=C([O-])c1cccnc1SCc1ccccc1 ZINC000000217951 342680403 /nfs/dbraw/zinc/68/04/03/342680403.db2.gz OJNZDGDYAXCHPB-UHFFFAOYSA-N -1 0 245.303 3.072 50 0 BGAARM C[C@]12CC3CC(CC(=O)[O-])(C1)C[C@@](C)(C3)C2 ZINC000000226205 342680703 /nfs/dbraw/zinc/68/07/03/342680703.db2.gz FUOXJVUIQUYDDI-AMZBWDOQSA-N -1 0 222.328 3.458 50 0 BGAARM Cc1ccc(C)c(C(C)(C)CC(=O)[O-])c1 ZINC000000227727 383844785 /nfs/dbraw/zinc/84/47/85/383844785.db2.gz AJEDXECKOHLOEO-UHFFFAOYSA-N -1 0 206.285 3.056 50 0 BGAARM S=c1[n-]nc(Cc2cccc3ccccc32)o1 ZINC000000233941 383845871 /nfs/dbraw/zinc/84/58/71/383845871.db2.gz YLRFXLNGPBLJIH-UHFFFAOYSA-N -1 0 242.303 3.102 50 0 BGAARM COc1ccc(Nc2ccccc2C(=O)[O-])cc1 ZINC000000241322 188099977 /nfs/dbraw/zinc/09/99/77/188099977.db2.gz AOTGWRVCPVLSPA-UHFFFAOYSA-N -1 0 243.262 3.137 50 0 BGAARM C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000000241544 176004022 /nfs/dbraw/zinc/00/40/22/176004022.db2.gz FUPGQEMJIGUBGO-LLVKDONJSA-N -1 0 242.274 3.206 50 0 BGAARM CCCc1ccc(-c2ccc(C(=O)[O-])cc2)nc1 ZINC000000242076 345823649 /nfs/dbraw/zinc/82/36/49/345823649.db2.gz MUUPNHJYELPKQX-UHFFFAOYSA-N -1 0 241.290 3.399 50 0 BGAARM CC[C@H](Oc1ccc2ccccc2c1)C(=O)[O-] ZINC000000245868 171591012 /nfs/dbraw/zinc/59/10/12/171591012.db2.gz QRVVQLDMZUSLKF-ZDUSSCGKSA-N -1 0 230.263 3.082 50 0 BGAARM CC[C@@H](Oc1ccc2ccccc2c1)C(=O)[O-] ZINC000000245871 342681111 /nfs/dbraw/zinc/68/11/11/342681111.db2.gz QRVVQLDMZUSLKF-CYBMUJFWSA-N -1 0 230.263 3.082 50 0 BGAARM CC12C[C@H]3C[C@@H](C1)CC(CC(=O)[O-])(C3)C2 ZINC000000247198 188333691 /nfs/dbraw/zinc/33/36/91/188333691.db2.gz OIASGIUDXARLDU-ASZHBFLOSA-N -1 0 208.301 3.068 50 0 BGAARM CCc1c(C)nc2ccc(C(=O)[O-])cc2c1Cl ZINC000000247835 345824599 /nfs/dbraw/zinc/82/45/99/345824599.db2.gz ZFXUIFLCUHCIMS-UHFFFAOYSA-N -1 0 249.697 3.457 50 0 BGAARM Cc1nc2ccccc2c(Cl)c1CCC(=O)[O-] ZINC000000247936 180101431 /nfs/dbraw/zinc/10/14/31/180101431.db2.gz VQJVHQGDMQXCCY-UHFFFAOYSA-N -1 0 249.697 3.214 50 0 BGAARM CC(C)(C)c1ccc(/C=C/C(=O)[O-])s1 ZINC000000251208 188099363 /nfs/dbraw/zinc/09/93/63/188099363.db2.gz KCFFSJPREHZTIM-FNORWQNLSA-N -1 0 210.298 3.143 50 0 BGAARM O=C([O-])c1ccc2oc(-c3ccccc3)nc2c1 ZINC000000257564 342681324 /nfs/dbraw/zinc/68/13/24/342681324.db2.gz UNJLCBQGDIBMAE-UHFFFAOYSA-N -1 0 239.230 3.193 50 0 BGAARM Cc1ccc(CNc2ccc(C(=O)[O-])cc2)cc1 ZINC000000259187 342681622 /nfs/dbraw/zinc/68/16/22/342681622.db2.gz PSQNWDZFOPXXAN-UHFFFAOYSA-N -1 0 241.290 3.305 50 0 BGAARM C=Cn1c(C(=O)[O-])ccc1-c1ccc(C)cc1 ZINC000000259218 322809284 /nfs/dbraw/zinc/80/92/84/322809284.db2.gz RNHLYONFHRHIPV-UHFFFAOYSA-N -1 0 227.263 3.262 50 0 BGAARM O=C([O-])c1cc2ccccc2n1-c1ccccc1 ZINC000000264464 342681587 /nfs/dbraw/zinc/68/15/87/342681587.db2.gz WMHIWHPGXRRKJM-UHFFFAOYSA-N -1 0 237.258 3.329 50 0 BGAARM COc1ccc(-c2ccc(/C=C/C(=O)[O-])o2)cc1 ZINC000000265431 175032413 /nfs/dbraw/zinc/03/24/13/175032413.db2.gz DJJPYNLLZYGDPI-VQHVLOKHSA-N -1 0 244.246 3.053 50 0 BGAARM CC(C)CCOc1ccc(/C=C/C(=O)[O-])cc1 ZINC000000266118 166881100 /nfs/dbraw/zinc/88/11/00/166881100.db2.gz UEPNKZTXVRVVQK-VMPITWQZSA-N -1 0 234.295 3.209 50 0 BGAARM Cc1cc2c(o1)c1cc(C(=O)[O-])ccc1nc2C ZINC000000274919 178278282 /nfs/dbraw/zinc/27/82/82/178278282.db2.gz SVRZXPWIRNVBGK-UHFFFAOYSA-N -1 0 241.246 3.296 50 0 BGAARM Cc1ccc(C([O-])=CC(=O)c2ccccc2)cc1 ZINC000000275248 187583037 /nfs/dbraw/zinc/58/30/37/187583037.db2.gz NWJSOXKGXZRQNV-UHFFFAOYSA-N -1 0 238.286 3.451 50 0 BGAARM O=C([O-])c1ccc(-c2ccccc2Cl)o1 ZINC000000280585 342682126 /nfs/dbraw/zinc/68/21/26/342682126.db2.gz PJGGWIHXGHQXMM-UHFFFAOYSA-N -1 0 222.627 3.298 50 0 in-vivo BGAARM COc1cccc(Nc2ccccc2C(=O)[O-])c1 ZINC000000282516 175280620 /nfs/dbraw/zinc/28/06/20/175280620.db2.gz SSRGDXQQJKAWKX-UHFFFAOYSA-N -1 0 243.262 3.137 50 0 BGAARM Cc1ccc(OCc2ccoc2C(=O)[O-])cc1C ZINC000000282598 383850337 /nfs/dbraw/zinc/85/03/37/383850337.db2.gz JWVMSZBUUVSMRB-UHFFFAOYSA-N -1 0 246.262 3.174 50 0 BGAARM O=C([O-])c1cccc(Oc2ccccc2)c1 ZINC000000284966 342682154 /nfs/dbraw/zinc/68/21/54/342682154.db2.gz NXTDJHZGHOFSQG-UHFFFAOYSA-N -1 0 214.220 3.177 50 0 endogenous,in-man BGAARM O=C([O-])[C@@H]1CC1(c1ccccc1)c1ccccc1 ZINC000000285756 182507695 /nfs/dbraw/zinc/50/76/95/182507695.db2.gz YITOQLBHYDWJBQ-AWEZNQCLSA-N -1 0 238.286 3.077 50 0 BGAARM O=C([O-])[C@H]1CC1(c1ccccc1)c1ccccc1 ZINC000000285758 182532699 /nfs/dbraw/zinc/53/26/99/182532699.db2.gz YITOQLBHYDWJBQ-CQSZACIVSA-N -1 0 238.286 3.077 50 0 BGAARM O=C([O-])CSc1ccc2ccccc2c1 ZINC000000288839 182474022 /nfs/dbraw/zinc/47/40/22/182474022.db2.gz VMZMOCBDKZHRGU-UHFFFAOYSA-N -1 0 218.277 3.017 50 0 BGAARM CC(C)c1cc2cc(/C=C/C(=O)[O-])c(O)cc2o1 ZINC000000296249 342682561 /nfs/dbraw/zinc/68/25/61/342682561.db2.gz LJDWGBJXUFJLRC-ONEGZZNKSA-N -1 0 246.262 3.360 50 0 BGAARM O=C([O-])[C@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000000299127 342682609 /nfs/dbraw/zinc/68/26/09/342682609.db2.gz LVJVEADPGHXUKQ-CQSZACIVSA-N -1 0 244.265 3.237 50 0 BGAARM O=C([O-])[C@@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000000299128 182500888 /nfs/dbraw/zinc/50/08/88/182500888.db2.gz LVJVEADPGHXUKQ-AWEZNQCLSA-N -1 0 244.265 3.237 50 0 BGAARM Cc1ccc(-c2ccc(CCC(=O)[O-])o2)cc1 ZINC000000302706 178324247 /nfs/dbraw/zinc/32/42/47/178324247.db2.gz XIEFXNUAGJCARS-UHFFFAOYSA-N -1 0 230.263 3.272 50 0 BGAARM O=C([O-])CCc1ccc(-c2ccc(F)cc2)o1 ZINC000000303150 383853173 /nfs/dbraw/zinc/85/31/73/383853173.db2.gz PEMSGNPALUHKCC-UHFFFAOYSA-N -1 0 234.226 3.103 50 0 BGAARM CC(C)(C)Sc1ccccc1C(=O)[O-] ZINC000000312621 342683023 /nfs/dbraw/zinc/68/30/23/342683023.db2.gz DNHZXAWPEMAWPW-UHFFFAOYSA-N -1 0 210.298 3.275 50 0 BGAARM O=c1c2ccccc2[n-]c(=S)n1C1CCCC1 ZINC000000316656 342683064 /nfs/dbraw/zinc/68/30/64/342683064.db2.gz ROEAWMSBZLHPSX-UHFFFAOYSA-N -1 0 246.335 3.174 50 0 BGAARM O=C([O-])C[C@H](Cc1ccccc1)c1ccco1 ZINC000000317896 383853572 /nfs/dbraw/zinc/85/35/72/383853572.db2.gz JHHKVXLMSCXJQL-LBPRGKRZSA-N -1 0 230.263 3.081 50 0 BGAARM O=C([O-])C[C@@H](Cc1ccccc1)c1ccco1 ZINC000000317898 182474920 /nfs/dbraw/zinc/47/49/20/182474920.db2.gz JHHKVXLMSCXJQL-GFCCVEGCSA-N -1 0 230.263 3.081 50 0 BGAARM O=C([O-])c1ccc2noc(-c3ccccc3)c2c1 ZINC000000320194 342683313 /nfs/dbraw/zinc/68/33/13/342683313.db2.gz GEBDBXYYQHUKAU-UHFFFAOYSA-N -1 0 239.230 3.193 50 0 BGAARM Cc1ccc(C(=O)[O-])c(Sc2ccccc2)n1 ZINC000000320748 383854138 /nfs/dbraw/zinc/85/41/38/383854138.db2.gz XHFRWZHWRQHZET-UHFFFAOYSA-N -1 0 245.303 3.239 50 0 BGAARM CC[C@H](Sc1ccc2ccccc2n1)C(=O)[O-] ZINC000000324478 342683332 /nfs/dbraw/zinc/68/33/32/342683332.db2.gz QZKXJMHSAGBJLS-NSHDSACASA-N -1 0 247.319 3.190 50 0 BGAARM CC[C@@H](Sc1ccc2ccccc2n1)C(=O)[O-] ZINC000000324482 170951427 /nfs/dbraw/zinc/95/14/27/170951427.db2.gz QZKXJMHSAGBJLS-LLVKDONJSA-N -1 0 247.319 3.190 50 0 BGAARM O=C([O-])/C(=C\c1ccc(O)cc1)c1ccccc1 ZINC000000330034 383853921 /nfs/dbraw/zinc/85/39/21/383853921.db2.gz GAXUWNPJYOWVDR-UVTDQMKNSA-N -1 0 240.258 3.017 50 0 BGAARM O=C([O-])CCCc1ccc2c3c(cccc31)CC2 ZINC000000330265 383854500 /nfs/dbraw/zinc/85/45/00/383854500.db2.gz IDYVPDNJQIGRNJ-UHFFFAOYSA-N -1 0 240.302 3.346 50 0 BGAARM O=C([O-])C(F)=C1c2ccccc2-c2ccccc21 ZINC000000330719 383853640 /nfs/dbraw/zinc/85/36/40/383853640.db2.gz YDSLTTPUTLNZHT-UHFFFAOYSA-N -1 0 240.233 3.481 50 0 BGAARM Cc1c(Cl)c(Cl)nc(Cl)c1C(=O)[O-] ZINC000000333184 177596808 /nfs/dbraw/zinc/59/68/08/177596808.db2.gz SSKQQYTWGFOTOY-UHFFFAOYSA-N -1 0 240.473 3.048 50 0 BGAARM O=C([O-])CCc1cc(Cl)cc(Cl)c1 ZINC000000334860 383856864 /nfs/dbraw/zinc/85/68/64/383856864.db2.gz GQICJNXGCGRFBA-UHFFFAOYSA-N -1 0 219.067 3.011 50 0 BGAARM O=C([O-])/C(=C/c1ccccc1)c1cccs1 ZINC000000336234 397914728 /nfs/dbraw/zinc/91/47/28/397914728.db2.gz PRFYTLRQUHFIRX-PKNBQFBNSA-N -1 0 230.288 3.373 50 0 BGAARM O=C([O-])/C(=C\c1ccccc1)c1cccs1 ZINC000000336235 182407935 /nfs/dbraw/zinc/40/79/35/182407935.db2.gz PRFYTLRQUHFIRX-LUAWRHEFSA-N -1 0 230.288 3.373 50 0 BGAARM CCOc1c(Cl)cc(C(=O)[O-])cc1Cl ZINC000000336351 342683869 /nfs/dbraw/zinc/68/38/69/342683869.db2.gz SXYGOCJUQOJEPU-UHFFFAOYSA-N -1 0 235.066 3.090 50 0 BGAARM O=C([O-])c1c(Cl)ccc2cc(Cl)cnc21 ZINC000000336447 342683828 /nfs/dbraw/zinc/68/38/28/342683828.db2.gz FFSSWMQPCJRCRV-UHFFFAOYSA-N -1 0 242.061 3.240 50 0 in-vitro BGAARM O=C([O-])CC1(c2ccsc2)CCCCC1 ZINC000000337221 383856781 /nfs/dbraw/zinc/85/67/81/383856781.db2.gz OGGJUJBKZAGZMR-UHFFFAOYSA-N -1 0 224.325 3.425 50 0 BGAARM O=C([O-])C1(c2cccs2)CCCCC1 ZINC000000337225 383857167 /nfs/dbraw/zinc/85/71/67/383857167.db2.gz TVJXMYFENIHEOZ-UHFFFAOYSA-N -1 0 210.298 3.035 50 0 BGAARM O=C([O-])CC1(c2cccs2)CCCCC1 ZINC000000337229 383855883 /nfs/dbraw/zinc/85/58/83/383855883.db2.gz LHTSRQLXJHHJJP-UHFFFAOYSA-N -1 0 224.325 3.425 50 0 BGAARM CC(C)(C)Sc1ccccc1CC(=O)[O-] ZINC000000338969 342684034 /nfs/dbraw/zinc/68/40/34/342684034.db2.gz AZZKNJHRWWLARP-UHFFFAOYSA-N -1 0 224.325 3.204 50 0 BGAARM Cc1cc(C(=O)[O-])sc1-c1ccccc1 ZINC000000339052 342684212 /nfs/dbraw/zinc/68/42/12/342684212.db2.gz HBQAYKRLPQFBBP-UHFFFAOYSA-N -1 0 218.277 3.422 50 0 BGAARM O=C([O-])c1ccccc1Cc1cccs1 ZINC000000339063 182581344 /nfs/dbraw/zinc/58/13/44/182581344.db2.gz HPADQOOYORSPFA-UHFFFAOYSA-N -1 0 218.277 3.037 50 0 BGAARM Cc1sc(C(=O)[O-])cc1-c1ccccc1 ZINC000000339069 342684155 /nfs/dbraw/zinc/68/41/55/342684155.db2.gz QRIRUPDZWDDHQE-UHFFFAOYSA-N -1 0 218.277 3.422 50 0 BGAARM O=C([O-])CCc1ccc(-c2ccc(O)cc2)cc1 ZINC000000339196 383856146 /nfs/dbraw/zinc/85/61/46/383856146.db2.gz RPNLKEFLRMFPEN-UHFFFAOYSA-N -1 0 242.274 3.076 50 0 BGAARM O=C([O-])[C@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000000340258 182537334 /nfs/dbraw/zinc/53/73/34/182537334.db2.gz KBAOXJSNMBNBHM-VIFPVBQESA-N -1 0 249.697 3.326 50 0 BGAARM COc1ccc(CCCC(=O)[O-])c2ccccc12 ZINC000000340406 190969874 /nfs/dbraw/zinc/96/98/74/190969874.db2.gz UYGMBKFJUCKFFG-UHFFFAOYSA-N -1 0 244.290 3.256 50 0 BGAARM CCc1ccc(-c2ccc(C(=O)[O-])c(C)n2)cc1 ZINC000000340703 342684029 /nfs/dbraw/zinc/68/40/29/342684029.db2.gz IIPSUWYEQCSPMT-UHFFFAOYSA-N -1 0 241.290 3.318 50 0 BGAARM O=C([O-])CCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000000346173 383856627 /nfs/dbraw/zinc/85/66/27/383856627.db2.gz DPCXOOJTAKKWIC-UHFFFAOYSA-N -1 0 247.077 3.041 50 0 BGAARM O=C([O-])C1=CC2c3ccccc3C1c1ccccc12 ZINC000000346524 398333560 /nfs/dbraw/zinc/33/35/60/398333560.db2.gz SLBPFXSUYSLDCM-UHFFFAOYSA-N -1 0 248.281 3.288 50 0 BGAARM CC(C)Sc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000000346599 167336484 /nfs/dbraw/zinc/33/64/84/167336484.db2.gz ROMJDXPPIZDMLO-SECBINFHSA-N -1 0 224.325 3.375 50 0 BGAARM O=C1Cc2ccccc2Sc2ccc(O)cc21 ZINC000000347356 342684416 /nfs/dbraw/zinc/68/44/16/342684416.db2.gz WWFLHYZRRCCDDW-UHFFFAOYSA-N -1 0 242.299 3.282 50 0 BGAARM Cc1c(Cl)c(=O)oc2cc([O-])c(Cl)cc12 ZINC000000349486 383856730 /nfs/dbraw/zinc/85/67/30/383856730.db2.gz WQILGAJTSFVYMF-UHFFFAOYSA-N -1 0 245.061 3.114 50 0 BGAARM Cc1ccccc1-c1ccc(C(=O)[O-])c(Cl)n1 ZINC000000349997 179235997 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3.116 50 0 BGAARM Cc1ccc(CNc2cccc(C(=O)[O-])c2)s1 ZINC000000502908 178637922 /nfs/dbraw/zinc/63/79/22/178637922.db2.gz PMNTXRWWXFDZFS-UHFFFAOYSA-N -1 0 247.319 3.367 50 0 BGAARM O=C([O-])c1cccc(NCc2cccs2)c1 ZINC000000516956 342689159 /nfs/dbraw/zinc/68/91/59/342689159.db2.gz NLPALFQBTRMEPX-UHFFFAOYSA-N -1 0 233.292 3.058 50 0 BGAARM CCC(=O)c1ccc([C@@H](C)CCC(=O)[O-])cc1 ZINC000000519564 168257084 /nfs/dbraw/zinc/25/70/84/168257084.db2.gz OEZHBNYINFCPPA-JTQLQIEISA-N -1 0 234.295 3.248 50 0 BGAARM CCC(=O)c1ccc([C@H](C)CCC(=O)[O-])cc1 ZINC000000519565 168257804 /nfs/dbraw/zinc/25/78/04/168257804.db2.gz OEZHBNYINFCPPA-SNVBAGLBSA-N -1 0 234.295 3.248 50 0 BGAARM Cc1cc(SCCC(=O)[O-])nc2ccccc12 ZINC000000524417 178218700 /nfs/dbraw/zinc/21/87/00/178218700.db2.gz FQBIMWFPTSDHNL-UHFFFAOYSA-N -1 0 247.319 3.110 50 0 BGAARM O=C([O-])c1cccc(NCc2ccc(F)cc2)c1 ZINC000000529296 342689378 /nfs/dbraw/zinc/68/93/78/342689378.db2.gz QEICLJWFMDHMSX-UHFFFAOYSA-N -1 0 245.253 3.136 50 0 BGAARM O=C([O-])c1cccc2c(Cl)cccc12 ZINC000000531346 188273667 /nfs/dbraw/zinc/27/36/67/188273667.db2.gz CPGDMBASSDNQIS-UHFFFAOYSA-N -1 0 206.628 3.191 50 0 BGAARM CC(C)Oc1ccc(C2(C(=O)[O-])CCCC2)cc1 ZINC000000531994 167292826 /nfs/dbraw/zinc/29/28/26/167292826.db2.gz IUTGIXZMOZAFOL-UHFFFAOYSA-N -1 0 248.322 3.370 50 0 BGAARM Cc1cc(SCCC(=O)[O-])c2ccccc2n1 ZINC000000543327 178218961 /nfs/dbraw/zinc/21/89/61/178218961.db2.gz HRXHIZYWJQGNLV-UHFFFAOYSA-N -1 0 247.319 3.110 50 0 BGAARM CC(C)c1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000000545769 356359302 /nfs/dbraw/zinc/35/93/02/356359302.db2.gz FLMVHZOJMRGXRO-SNVBAGLBSA-N -1 0 206.285 3.073 50 0 BGAARM CC(C)c1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000000545770 356359431 /nfs/dbraw/zinc/35/94/31/356359431.db2.gz FLMVHZOJMRGXRO-JTQLQIEISA-N -1 0 206.285 3.073 50 0 BGAARM Cc1cc(C(=O)[O-])c(C)n1C1CCCCC1 ZINC000000551323 383875458 /nfs/dbraw/zinc/87/54/58/383875458.db2.gz AAVGWKKJNWJABL-UHFFFAOYSA-N -1 0 221.300 3.308 50 0 BGAARM Cc1ccc(-c2ccc(C(=O)[O-])o2)cc1C ZINC000000569355 178323104 /nfs/dbraw/zinc/32/31/04/178323104.db2.gz MADSXBMBAUXXLA-UHFFFAOYSA-N -1 0 216.236 3.262 50 0 BGAARM Cc1ccc(CNc2cccc(C(=O)[O-])c2)cc1 ZINC000000575149 342690469 /nfs/dbraw/zinc/69/04/69/342690469.db2.gz MBDSGNUQFHBYSE-UHFFFAOYSA-N -1 0 241.290 3.305 50 0 BGAARM Cc1ccsc1CNc1cccc(C(=O)[O-])c1 ZINC000000575176 342690429 /nfs/dbraw/zinc/69/04/29/342690429.db2.gz KEYWDFMSJNCJRG-UHFFFAOYSA-N -1 0 247.319 3.367 50 0 BGAARM O=C([O-])c1cccc(OCc2ccc(F)cc2)c1 ZINC000000575364 342690400 /nfs/dbraw/zinc/69/04/00/342690400.db2.gz IRGZUAFLKNHSLJ-UHFFFAOYSA-N -1 0 246.237 3.103 50 0 BGAARM O=C([O-])c1cc2cc3ccccc3nc2s1 ZINC000000616740 342691046 /nfs/dbraw/zinc/69/10/46/342691046.db2.gz FSEPCRFINOFJMC-UHFFFAOYSA-N -1 0 229.260 3.148 50 0 BGAARM O=C([O-])c1ccoc1/C=C/c1cccs1 ZINC000000712275 350001171 /nfs/dbraw/zinc/00/11/71/350001171.db2.gz UMQOSOXRDQZLFU-ONEGZZNKSA-N -1 0 220.249 3.210 50 0 BGAARM O=C([O-])c1cc2[nH]c3c(c2cc1Cl)CCCC3 ZINC000000807911 342692932 /nfs/dbraw/zinc/69/29/32/342692932.db2.gz QPXAEUZWZDSOOF-UHFFFAOYSA-N -1 0 249.697 3.398 50 0 in-vitro BGAARM O=C([O-])/C=C/c1ccc2c3c(cccc31)CC2 ZINC000000822039 383881039 /nfs/dbraw/zinc/88/10/39/383881039.db2.gz VBEHYAOTPXXHLK-CMDGGOBGSA-N -1 0 224.259 3.036 50 0 BGAARM O=C([O-])c1c2c(nc3ccc(Cl)cc31)CCC2 ZINC000000872599 188273384 /nfs/dbraw/zinc/27/33/84/188273384.db2.gz BRXPKYDOKVSIJG-UHFFFAOYSA-N -1 0 247.681 3.075 50 0 BGAARM Cc1cc(C)c2nc3c(c(C(=O)[O-])c2c1)CCC3 ZINC000000874159 383883034 /nfs/dbraw/zinc/88/30/34/383883034.db2.gz ROEMBHZFNMLLSU-UHFFFAOYSA-N -1 0 241.290 3.039 50 0 BGAARM O=c1oc2cc([O-])ccc2cc1-c1cccs1 ZINC000000894368 350840407 /nfs/dbraw/zinc/84/04/07/350840407.db2.gz OIZFJFDOAJYKCC-UHFFFAOYSA-N -1 0 244.271 3.227 50 0 BGAARM Cc1ccc(Nc2ncccc2C(=O)[O-])c(C)c1 ZINC000000930769 342694821 /nfs/dbraw/zinc/69/48/21/342694821.db2.gz IHGRBDWEPCBBAB-UHFFFAOYSA-N -1 0 242.278 3.140 50 0 BGAARM Cc1ccc(Nc2ncccc2C(=O)[O-])cc1C ZINC000000930771 178782306 /nfs/dbraw/zinc/78/23/06/178782306.db2.gz CDVPFUBDXWHKSU-UHFFFAOYSA-N -1 0 242.278 3.140 50 0 BGAARM Cc1ccc(C)c(Nc2ncccc2C(=O)[O-])c1 ZINC000000930772 178485327 /nfs/dbraw/zinc/48/53/27/178485327.db2.gz JXROYZLSJSHPQI-UHFFFAOYSA-N -1 0 242.278 3.140 50 0 BGAARM O=C([O-])c1ccc(NC2CCCCC2)cc1 ZINC000000938938 342694707 /nfs/dbraw/zinc/69/47/07/342694707.db2.gz QADQJGKSFQRUSS-UHFFFAOYSA-N -1 0 219.284 3.129 50 0 BGAARM CC[C@@H](C)C(=O)c1[nH]c2ccccc2c1C(=O)[O-] ZINC000000969137 170684177 /nfs/dbraw/zinc/68/41/77/170684177.db2.gz OGGSQMJKFCSFDF-MRVPVSSYSA-N -1 0 245.278 3.095 50 0 BGAARM CC[C@H](C)C(=O)c1[nH]c2ccccc2c1C(=O)[O-] ZINC000000969138 171256401 /nfs/dbraw/zinc/25/64/01/171256401.db2.gz OGGSQMJKFCSFDF-QMMMGPOBSA-N -1 0 245.278 3.095 50 0 BGAARM O=C([O-])c1cscc1-c1ccccc1 ZINC000000984442 182594750 /nfs/dbraw/zinc/59/47/50/182594750.db2.gz ZNTFBJWDGATWSI-UHFFFAOYSA-N -1 0 204.250 3.113 50 0 BGAARM COc1ccc2sc([C@H](C)C(=O)[O-])cc2c1 ZINC000000984459 350969765 /nfs/dbraw/zinc/96/97/65/350969765.db2.gz UHWWDGJFRKBWDT-ZETCQYMHSA-N -1 0 236.292 3.098 50 0 BGAARM COc1ccc2sc([C@@H](C)C(=O)[O-])cc2c1 ZINC000000984460 350969873 /nfs/dbraw/zinc/96/98/73/350969873.db2.gz UHWWDGJFRKBWDT-SSDOTTSWSA-N -1 0 236.292 3.098 50 0 BGAARM O=C([O-])c1sccc1Cc1ccccc1 ZINC000000990201 350964755 /nfs/dbraw/zinc/96/47/55/350964755.db2.gz UGIIACGASYCKOR-UHFFFAOYSA-N -1 0 218.277 3.037 50 0 BGAARM O=C([O-])c1cc(-c2ccccc2)cs1 ZINC000000999042 342695564 /nfs/dbraw/zinc/69/55/64/342695564.db2.gz DOAFBJFYWLESRS-UHFFFAOYSA-N -1 0 204.250 3.113 50 0 BGAARM CC(C)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000001006410 346433166 /nfs/dbraw/zinc/43/31/66/346433166.db2.gz AEFGZQAKWONFNO-UHFFFAOYSA-N -1 0 248.109 3.294 50 0 BGAARM CC(C)OC(=S)[N-]c1cccc(Cl)c1 ZINC000001043251 167175031 /nfs/dbraw/zinc/17/50/31/167175031.db2.gz XWJMDNULPYVWGV-UHFFFAOYSA-N -1 0 229.732 3.462 50 0 BGAARM Cc1ccc(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000001081365 178446809 /nfs/dbraw/zinc/44/68/09/178446809.db2.gz JHAROMYZTGWTSG-QWHCGFSZSA-N -1 0 246.306 3.069 50 0 BGAARM Cc1ccc(C(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000001081366 178443975 /nfs/dbraw/zinc/44/39/75/178443975.db2.gz JHAROMYZTGWTSG-CHWSQXEVSA-N -1 0 246.306 3.069 50 0 BGAARM Cc1ccc(C(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000001081367 383887914 /nfs/dbraw/zinc/88/79/14/383887914.db2.gz JHAROMYZTGWTSG-STQMWFEESA-N -1 0 246.306 3.069 50 0 BGAARM COc1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC000001132980 175034495 /nfs/dbraw/zinc/03/44/95/175034495.db2.gz VWDMBLJBLIUXFS-UHFFFAOYSA-N -1 0 228.247 3.060 50 0 BGAARM O=C([O-])Cc1coc2ccc3ccccc3c12 ZINC000001143617 182493456 /nfs/dbraw/zinc/49/34/56/182493456.db2.gz XPQWIAKMWGZBAN-UHFFFAOYSA-N -1 0 226.231 3.213 50 0 BGAARM Cc1ccc(-c2ccccc2CC(=O)[O-])cc1 ZINC000001256555 368368379 /nfs/dbraw/zinc/36/83/79/368368379.db2.gz LQNNDNWIGOUTSH-UHFFFAOYSA-N -1 0 226.275 3.289 50 0 BGAARM Cc1ccc(-c2ccc(CC(=O)[O-])cc2)cc1 ZINC000001256693 178324738 /nfs/dbraw/zinc/32/47/38/178324738.db2.gz FOMRVYYSLZMDLM-UHFFFAOYSA-N -1 0 226.275 3.289 50 0 BGAARM O=C([O-])Cc1cccc(-c2cccc(F)c2)c1 ZINC000001256755 182491233 /nfs/dbraw/zinc/49/12/33/182491233.db2.gz AMMCIAQLNFOHTP-UHFFFAOYSA-N -1 0 230.238 3.120 50 0 BGAARM Cc1ccccc1-c1ccc(CC(=O)[O-])cc1 ZINC000001257461 179235225 /nfs/dbraw/zinc/23/52/25/179235225.db2.gz DPSNOJFKFDUDFZ-UHFFFAOYSA-N -1 0 226.275 3.289 50 0 BGAARM Cc1ccccc1-c1cccc(CC(=O)[O-])c1 ZINC000001257773 179236217 /nfs/dbraw/zinc/23/62/17/179236217.db2.gz MBCVVFMOLIMBHJ-UHFFFAOYSA-N -1 0 226.275 3.289 50 0 BGAARM O=C([O-])Cc1ccccc1-c1cccc(F)c1 ZINC000001258229 182492311 /nfs/dbraw/zinc/49/23/11/182492311.db2.gz BFGLWNMRGCKEOE-UHFFFAOYSA-N -1 0 230.238 3.120 50 0 BGAARM O=C([O-])Cc1ccc(-c2cccc(F)c2)cc1 ZINC000001258977 383891928 /nfs/dbraw/zinc/89/19/28/383891928.db2.gz UCTPBVNGTSRBFG-UHFFFAOYSA-N -1 0 230.238 3.120 50 0 BGAARM O=C([O-])Cc1cccc(-c2ccc(F)cc2)c1 ZINC000001259255 182491302 /nfs/dbraw/zinc/49/13/02/182491302.db2.gz KEHXYIKRLCYNJX-UHFFFAOYSA-N -1 0 230.238 3.120 50 0 BGAARM Cc1cccc(-c2ccc(CC(=O)[O-])cc2)c1 ZINC000001259876 342698501 /nfs/dbraw/zinc/69/85/01/342698501.db2.gz ABKKNUMOLNPQHN-UHFFFAOYSA-N -1 0 226.275 3.289 50 0 BGAARM S=c1[n-]nc(SCc2ccccc2)s1 ZINC000001299285 188273636 /nfs/dbraw/zinc/27/36/36/188273636.db2.gz UBLXSSRRVRLOEO-UHFFFAOYSA-N -1 0 240.378 3.119 50 0 BGAARM Cc1ccnc([N-]c2nc3ccccc3s2)n1 ZINC000001312115 383893799 /nfs/dbraw/zinc/89/37/99/383893799.db2.gz YEKJCCQGZBAANY-UHFFFAOYSA-N -1 0 242.307 3.138 50 0 BGAARM C[C@]1(C(=O)[O-])[C@@H]2Cc3cccc4cccc(c43)[C@@H]21 ZINC000001319093 383893294 /nfs/dbraw/zinc/89/32/94/383893294.db2.gz SBNNFLCOHKDHPS-INWMFGNUSA-N -1 0 238.286 3.200 50 0 BGAARM O=C([O-])c1cccnc1Nc1ccc(Cl)cc1 ZINC000001329537 182583158 /nfs/dbraw/zinc/58/31/58/182583158.db2.gz YEXIXVLEDGNAKM-UHFFFAOYSA-N -1 0 248.669 3.177 50 0 in-vivo BGAARM Cc1ccc(COc2ccsc2C(=O)[O-])cc1 ZINC000001395874 342699789 /nfs/dbraw/zinc/69/97/89/342699789.db2.gz MYVLJSQSMBUIJV-UHFFFAOYSA-N -1 0 248.303 3.334 50 0 BGAARM Cc1onc(-c2ccc(Cl)cc2)c1C(=O)[O-] ZINC000001402686 342700140 /nfs/dbraw/zinc/70/01/40/342700140.db2.gz YFZLFMSGZBNUPJ-UHFFFAOYSA-N -1 0 237.642 3.002 50 0 BGAARM CC(=O)C(=C([O-])c1ccc(Cl)cc1)C(C)C ZINC000001403841 188335054 /nfs/dbraw/zinc/33/50/54/188335054.db2.gz CQRPNUKUZNHGRV-LBPRGKRZSA-N -1 0 238.714 3.384 50 0 BGAARM CC(=O)C(=C([O-])c1ccc(Cl)cc1)C(C)C ZINC000001403842 353386855 /nfs/dbraw/zinc/38/68/55/353386855.db2.gz CQRPNUKUZNHGRV-GFCCVEGCSA-N -1 0 238.714 3.384 50 0 BGAARM O=C([O-])c1ccccc1CSc1ccccn1 ZINC000001425396 342700444 /nfs/dbraw/zinc/70/04/44/342700444.db2.gz PNHWUGPIUDBHHQ-UHFFFAOYSA-N -1 0 245.303 3.072 50 0 BGAARM Cc1ccc2nc(C3CC3)cc(C(=O)[O-])c2c1 ZINC000001459148 342701576 /nfs/dbraw/zinc/70/15/76/342701576.db2.gz ULQTVSKLKZCBOV-UHFFFAOYSA-N -1 0 227.263 3.119 50 0 BGAARM Cc1cc(OC(C)(C)C(=O)[O-])cc(C)c1Cl ZINC000001459358 178206829 /nfs/dbraw/zinc/20/68/29/178206829.db2.gz VMKNHGYEWGGFQL-UHFFFAOYSA-N -1 0 242.702 3.199 50 0 BGAARM CC(C)c1ccc(OC(C)(C)C(=O)[O-])cc1 ZINC000001459820 342701405 /nfs/dbraw/zinc/70/14/05/342701405.db2.gz KPJWETIJBZKRPC-UHFFFAOYSA-N -1 0 222.284 3.052 50 0 BGAARM CC(C)c1ccccc1OC(C)(C)C(=O)[O-] ZINC000001460247 342701449 /nfs/dbraw/zinc/70/14/49/342701449.db2.gz SUUDZJXMAQKEGM-UHFFFAOYSA-N -1 0 222.284 3.052 50 0 BGAARM O=C([O-])c1cccc(NC=C(Cl)Cl)c1 ZINC000001504280 342701652 /nfs/dbraw/zinc/70/16/52/342701652.db2.gz RDVDLPSLNGWATH-UHFFFAOYSA-N -1 0 232.066 3.073 50 0 BGAARM Cc1ccc(Cc2ccccc2C(=O)[O-])cc1F ZINC000001510889 342702050 /nfs/dbraw/zinc/70/20/50/342702050.db2.gz NONIPMXEAJZBOX-UHFFFAOYSA-N -1 0 244.265 3.423 50 0 BGAARM COc1ccc(-c2ccc(C(=O)[O-])cc2)cc1 ZINC000001514433 175032690 /nfs/dbraw/zinc/03/26/90/175032690.db2.gz FDPKGXQCDURRBM-UHFFFAOYSA-N -1 0 228.247 3.060 50 0 BGAARM O=C([O-])c1c(Cl)nsc1-c1ccccc1 ZINC000001517011 182547921 /nfs/dbraw/zinc/54/79/21/182547921.db2.gz FBIDVVAOYSPDTL-UHFFFAOYSA-N -1 0 239.683 3.162 50 0 BGAARM C[C@H](Oc1ccccc1-c1ccccc1)C(=O)[O-] ZINC000001555593 177024308 /nfs/dbraw/zinc/02/43/08/177024308.db2.gz LHACJRMZSJGCFY-NSHDSACASA-N -1 0 242.274 3.206 50 0 BGAARM O=C([O-])C[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000001564614 182478000 /nfs/dbraw/zinc/47/80/00/182478000.db2.gz WDABVCXHIRWXLA-QWHCGFSZSA-N -1 0 218.296 3.435 50 0 BGAARM O=C([O-])C[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000001564615 384910975 /nfs/dbraw/zinc/91/09/75/384910975.db2.gz WDABVCXHIRWXLA-STQMWFEESA-N -1 0 218.296 3.435 50 0 BGAARM O=C([O-])C[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000001564616 384910363 /nfs/dbraw/zinc/91/03/63/384910363.db2.gz WDABVCXHIRWXLA-CHWSQXEVSA-N -1 0 218.296 3.435 50 0 BGAARM O=C([O-])C[C@H]1CCCC[C@H]1c1ccccc1 ZINC000001564617 384911812 /nfs/dbraw/zinc/91/18/12/384911812.db2.gz WDABVCXHIRWXLA-OLZOCXBDSA-N -1 0 218.296 3.435 50 0 BGAARM C[C@@H](C(=O)[O-])c1ccc2c(c1)Cc1ccccc1-2 ZINC000001566379 355906967 /nfs/dbraw/zinc/90/69/67/355906967.db2.gz LRXFKKPEBXIPMW-SNVBAGLBSA-N -1 0 238.286 3.446 50 0 in-man BGAARM O=C([O-])Cc1ccc(C2CCCCC2)cc1 ZINC000001575003 383907378 /nfs/dbraw/zinc/90/73/78/383907378.db2.gz ZHMWKJWMWIWEPJ-UHFFFAOYSA-N -1 0 218.296 3.361 50 0 BGAARM CCCCN(CCCC)C(=S)[S-] ZINC000001587358 383909272 /nfs/dbraw/zinc/90/92/72/383909272.db2.gz SZRLKIKBPASKQH-UHFFFAOYSA-N -1 0 205.392 3.103 50 0 BGAARM Cc1ccc([C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000001594517 178831424 /nfs/dbraw/zinc/83/14/24/178831424.db2.gz JYDAJZSDPZCZSG-AWEZNQCLSA-N -1 0 226.275 3.212 50 0 BGAARM Cc1cc(C)c(C(=O)[O-])c(C)c1Br ZINC000001596365 384916145 /nfs/dbraw/zinc/91/61/45/384916145.db2.gz VUVHCRZIUORPEG-UHFFFAOYSA-N -1 0 243.100 3.073 50 0 BGAARM CC(C)c1ccc(CCCC(=O)[O-])cc1 ZINC000001599209 342704971 /nfs/dbraw/zinc/70/49/71/342704971.db2.gz COMUZXZDTNYSJE-UHFFFAOYSA-N -1 0 206.285 3.217 50 0 BGAARM CCc1ccc(C(=O)[O-])c2ccccc12 ZINC000001600595 171787697 /nfs/dbraw/zinc/78/76/97/171787697.db2.gz PLFCGQDMWZGHOQ-UHFFFAOYSA-N -1 0 200.237 3.100 50 0 in-vitro BGAARM Cc1ccc(Oc2ccc(C(=O)[O-])cc2)cc1 ZINC000001601396 383911358 /nfs/dbraw/zinc/91/13/58/383911358.db2.gz DCDYPMNXCDXNJZ-UHFFFAOYSA-N -1 0 228.247 3.486 50 0 BGAARM S=c1[n-]c2ccc(Cl)cc2s1 ZINC000001602938 322810417 /nfs/dbraw/zinc/81/04/17/322810417.db2.gz CLHLOHAQAADLRA-UHFFFAOYSA-N -1 0 201.703 3.238 50 0 BGAARM Cc1ccc(Oc2cccc(C(=O)[O-])c2)cc1 ZINC000001606101 178820542 /nfs/dbraw/zinc/82/05/42/178820542.db2.gz JDFNHFHOMMSCEZ-UHFFFAOYSA-N -1 0 228.247 3.486 50 0 BGAARM O=C([O-])c1ccc(OCCc2ccccc2)cc1 ZINC000001609672 182571163 /nfs/dbraw/zinc/57/11/63/182571163.db2.gz FRQLEOHJRISXFC-UHFFFAOYSA-N -1 0 242.274 3.006 50 0 BGAARM [O-]c1c(Cl)cc(Br)cc1Cl ZINC000001621105 383913296 /nfs/dbraw/zinc/91/32/96/383913296.db2.gz KGURSDWHGSLAPP-UHFFFAOYSA-N -1 0 241.899 3.462 50 0 BGAARM COc1ccccc1-c1ccccc1C(=O)[O-] ZINC000001632815 175310100 /nfs/dbraw/zinc/31/01/00/175310100.db2.gz DONMCRNZWAMEGC-UHFFFAOYSA-N -1 0 228.247 3.060 50 0 BGAARM CCCCCCOc1ccc(C(=O)[O-])cc1 ZINC000001646613 342707036 /nfs/dbraw/zinc/70/70/36/342707036.db2.gz HBQUXMZZODHFMJ-UHFFFAOYSA-N -1 0 222.284 3.344 50 0 BGAARM CCC[C@H](C)[C@H](C(=O)[O-])c1ccccc1 ZINC000001649095 397771805 /nfs/dbraw/zinc/77/18/05/397771805.db2.gz YUNSFLRLJVSMKM-JQWIXIFHSA-N -1 0 206.285 3.291 50 0 BGAARM CCC[C@H](C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000001649096 397771614 /nfs/dbraw/zinc/77/16/14/397771614.db2.gz YUNSFLRLJVSMKM-CMPLNLGQSA-N -1 0 206.285 3.291 50 0 BGAARM COC(=O)CCCCCCCCCCC(=O)[O-] ZINC000001651887 358138274 /nfs/dbraw/zinc/13/82/74/358138274.db2.gz REGGDLIBDASKGE-UHFFFAOYSA-N -1 0 244.331 3.145 50 0 BGAARM [O-]c1c(Cl)cc(Cl)cc1Br ZINC000001657278 383917188 /nfs/dbraw/zinc/91/71/88/383917188.db2.gz FRPHJINKMDMSPH-UHFFFAOYSA-N -1 0 241.899 3.462 50 0 BGAARM CSc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000001657323 342707224 /nfs/dbraw/zinc/70/72/24/342707224.db2.gz QLZIZSLVDDPCCP-UHFFFAOYSA-N -1 0 237.107 3.414 50 0 BGAARM O=C([O-])CCCc1ccc2ccccc2c1 ZINC000001666553 383917610 /nfs/dbraw/zinc/91/76/10/383917610.db2.gz HBRVUQIGDLSBCB-UHFFFAOYSA-N -1 0 214.264 3.247 50 0 in-vitro BGAARM O=C([O-])CSc1cc(Cl)ccc1Cl ZINC000001669679 182473730 /nfs/dbraw/zinc/47/37/30/182473730.db2.gz DCXXCTCEJFBLPD-UHFFFAOYSA-N -1 0 237.107 3.170 50 0 BGAARM Cc1cccc(Oc2ccccc2C(=O)[O-])c1 ZINC000001670117 342707711 /nfs/dbraw/zinc/70/77/11/342707711.db2.gz LLNYWMNWRYXWPC-UHFFFAOYSA-N -1 0 228.247 3.486 50 0 BGAARM O=C([O-])C(c1cccs1)c1cccs1 ZINC000001673499 383921560 /nfs/dbraw/zinc/92/15/60/383921560.db2.gz XOFMKTIZCDSXFR-UHFFFAOYSA-N -1 0 224.306 3.026 50 0 BGAARM O=C([O-])Cc1ccc(Sc2ccccc2)cc1 ZINC000001675840 383920866 /nfs/dbraw/zinc/92/08/66/383920866.db2.gz RRDQKVBSLWBCFR-UHFFFAOYSA-N -1 0 244.315 3.465 50 0 BGAARM C[C@@](Cc1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000001682345 176510276 /nfs/dbraw/zinc/51/02/76/176510276.db2.gz ZWIZUBYJTNGOPG-INIZCTEOSA-N -1 0 240.302 3.272 50 0 BGAARM Cc1cc(Cl)cc(Cl)c1C(=O)[O-] ZINC000001684342 187926040 /nfs/dbraw/zinc/92/60/40/187926040.db2.gz MHFZUPIEEGLIDF-UHFFFAOYSA-N -1 0 205.040 3.000 50 0 BGAARM COc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000001686633 175034828 /nfs/dbraw/zinc/03/48/28/175034828.db2.gz IPLPMLYQQDEHHD-UHFFFAOYSA-N -1 0 228.247 3.060 50 0 BGAARM O=C([O-])c1ccc(OC2CCCCC2)cc1 ZINC000001690203 342709596 /nfs/dbraw/zinc/70/95/96/342709596.db2.gz OTPHEAKUEAICPM-UHFFFAOYSA-N -1 0 220.268 3.096 50 0 BGAARM CC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000001692363 342709412 /nfs/dbraw/zinc/70/94/12/342709412.db2.gz BCOVXKWQTYUMNW-QMMMGPOBSA-N -1 0 249.093 3.235 50 0 BGAARM O=C([O-])C(Cc1ccccc1)Cc1ccccc1 ZINC000001693352 383922761 /nfs/dbraw/zinc/92/27/61/383922761.db2.gz RBLAOGBEJPHFHW-UHFFFAOYSA-N -1 0 240.302 3.173 50 0 in-vitro BGAARM CCCCCOc1ccc(/C=C/C(=O)[O-])cc1 ZINC000001695497 342709734 /nfs/dbraw/zinc/70/97/34/342709734.db2.gz WXPBGFBUVHLMSK-JXMROGBWSA-N -1 0 234.295 3.353 50 0 BGAARM O=C([O-])CCCOc1ccc(Cl)cc1Cl ZINC000001696211 383926152 /nfs/dbraw/zinc/92/61/52/383926152.db2.gz YIVXMZJTEQBPQO-UHFFFAOYSA-N -1 0 249.093 3.237 50 0 in-vitro BGAARM Cc1cc(OCC(=O)[O-])c(C(C)C)cc1Cl ZINC000001712528 178207571 /nfs/dbraw/zinc/20/75/71/178207571.db2.gz MOUGPRIBEJMFGP-UHFFFAOYSA-N -1 0 242.702 3.235 50 0 BGAARM O=C([O-])c1ccc(C2CCCCC2)cc1 ZINC000001715188 342710960 /nfs/dbraw/zinc/71/09/60/342710960.db2.gz QCIWHVKGVVQHIY-UHFFFAOYSA-N -1 0 204.269 3.433 50 0 BGAARM O=C([O-])c1cccc(C2CCCCC2)c1 ZINC000001715564 342710881 /nfs/dbraw/zinc/71/08/81/342710881.db2.gz NBRXQSILGBSKBZ-UHFFFAOYSA-N -1 0 204.269 3.433 50 0 BGAARM O=C([O-])c1ccnc(-c2ccc(Cl)cc2)c1 ZINC000001726234 342711376 /nfs/dbraw/zinc/71/13/76/342711376.db2.gz BRBHDPCWBZWZTP-UHFFFAOYSA-N -1 0 233.654 3.100 50 0 BGAARM O=C([O-])c1cc(Cl)c(Cl)cc1Cl ZINC000001726278 342711422 /nfs/dbraw/zinc/71/14/22/342711422.db2.gz PTFNNDHASFGWFI-UHFFFAOYSA-N -1 0 225.458 3.345 50 0 BGAARM O=C([O-])c1ccc(C(Cl)(Cl)Cl)cc1 ZINC000001728705 182565297 /nfs/dbraw/zinc/56/52/97/182565297.db2.gz PGGOYACMHDPZQV-UHFFFAOYSA-N -1 0 239.485 3.212 50 0 BGAARM COc1ccc(-c2ccccc2)c(C(=O)[O-])c1 ZINC000001766281 175034819 /nfs/dbraw/zinc/03/48/19/175034819.db2.gz FNXYJNSEVNHBFK-UHFFFAOYSA-N -1 0 228.247 3.060 50 0 BGAARM COc1ccccc1Oc1cccc(C(=O)[O-])c1 ZINC000001766284 175342270 /nfs/dbraw/zinc/34/22/70/175342270.db2.gz KDDDUAZESJTRQZ-UHFFFAOYSA-N -1 0 244.246 3.186 50 0 BGAARM O=C([O-])CCCC(=O)c1ccc2ccccc2c1 ZINC000001767590 182435230 /nfs/dbraw/zinc/43/52/30/182435230.db2.gz CUDGRTLTTAIWHF-UHFFFAOYSA-N -1 0 242.274 3.277 50 0 BGAARM CC(C)(C)c1ccc(OCCCC(=O)[O-])cc1 ZINC000001777745 383935935 /nfs/dbraw/zinc/93/59/35/383935935.db2.gz SBRAJDSNLRABGN-UHFFFAOYSA-N -1 0 236.311 3.228 50 0 BGAARM CC(C)c1ccc(OCCCC(=O)[O-])cc1 ZINC000001791607 342712646 /nfs/dbraw/zinc/71/26/46/342712646.db2.gz FNAKUQYUFZKYOK-UHFFFAOYSA-N -1 0 222.284 3.054 50 0 BGAARM O=C([O-])CCn1c2ccccc2c2ccccc21 ZINC000001841595 182458101 /nfs/dbraw/zinc/45/81/01/182458101.db2.gz ZAJJJOMMWPVJMH-UHFFFAOYSA-N -1 0 239.274 3.269 50 0 in-vivo BGAARM COc1ccc2cc(C(C)(C)C(=O)[O-])ccc2c1 ZINC000001843439 175224148 /nfs/dbraw/zinc/22/41/48/175224148.db2.gz IYSPYQQBEYOGFI-UHFFFAOYSA-N -1 0 244.290 3.211 50 0 BGAARM CC(C)[C@H]1Cc2ccc([C@@H](C)C(=O)[O-])cc2C1 ZINC000001846286 342712855 /nfs/dbraw/zinc/71/28/55/342712855.db2.gz RYDUZJFCKYTEHX-MFKMUULPSA-N -1 0 232.323 3.246 50 0 in-man BGAARM CC(C)[C@@H]1Cc2ccc([C@@H](C)C(=O)[O-])cc2C1 ZINC000001846287 383938714 /nfs/dbraw/zinc/93/87/14/383938714.db2.gz RYDUZJFCKYTEHX-ZWNOBZJWSA-N -1 0 232.323 3.246 50 0 in-man BGAARM CC(C)[C@@H]1Cc2ccc([C@H](C)C(=O)[O-])cc2C1 ZINC000001846288 342712931 /nfs/dbraw/zinc/71/29/31/342712931.db2.gz RYDUZJFCKYTEHX-GXFFZTMASA-N -1 0 232.323 3.246 50 0 in-man BGAARM O=C([O-])c1c(Cl)ccc(Cl)c1Cl ZINC000001849975 342713031 /nfs/dbraw/zinc/71/30/31/342713031.db2.gz XZIDTOHMJBOSOX-UHFFFAOYSA-N -1 0 225.458 3.345 50 0 in-vitro BGAARM O=C([O-])Cc1c[nH]c2c1c(Cl)ccc2Cl ZINC000001852051 398238060 /nfs/dbraw/zinc/23/80/60/398238060.db2.gz YFOZTVITJDDLHT-UHFFFAOYSA-N -1 0 244.077 3.102 50 0 BGAARM O=Cc1c(Cl)cc(Cl)c([O-])c1Cl ZINC000001855617 383938563 /nfs/dbraw/zinc/93/85/63/383938563.db2.gz WSVXMUOROYTNQL-UHFFFAOYSA-N -1 0 225.458 3.165 50 0 BGAARM COc1ccc(Oc2ccccc2C(=O)[O-])cc1 ZINC000001865385 175173601 /nfs/dbraw/zinc/17/36/01/175173601.db2.gz WMNNWPSQMMOCGQ-UHFFFAOYSA-N -1 0 244.246 3.186 50 0 BGAARM Cc1cc(OCCCC(=O)[O-])cc(C)c1Cl ZINC000001871155 178210320 /nfs/dbraw/zinc/21/03/20/178210320.db2.gz SZIQQNPRQQDZTF-UHFFFAOYSA-N -1 0 242.702 3.200 50 0 BGAARM O=C([O-])c1ccccc1CCc1cccs1 ZINC000001995256 359626150 /nfs/dbraw/zinc/62/61/50/359626150.db2.gz BYSDXOIAAYZTBJ-UHFFFAOYSA-N -1 0 232.304 3.232 50 0 BGAARM Cc1[nH]c2ccc(Cl)cc2c1CCC(=O)[O-] ZINC000001995740 342714178 /nfs/dbraw/zinc/71/41/78/342714178.db2.gz BTGZRYNYFFQYJP-UHFFFAOYSA-N -1 0 237.686 3.147 50 0 BGAARM O=C(c1ccccc1)c1ccc(Cl)cc1[O-] ZINC000002002759 342714267 /nfs/dbraw/zinc/71/42/67/342714267.db2.gz JYFJHKRWGLEWKH-UHFFFAOYSA-N -1 0 232.666 3.277 50 0 BGAARM Cc1ccccc1O[C@H](C(=O)[O-])c1ccccc1 ZINC000002003664 179312946 /nfs/dbraw/zinc/31/29/46/179312946.db2.gz JUMFHPAEVFSSKZ-AWEZNQCLSA-N -1 0 242.274 3.200 50 0 BGAARM Cc1ccccc1O[C@@H](C(=O)[O-])c1ccccc1 ZINC000002003665 179313111 /nfs/dbraw/zinc/31/31/11/179313111.db2.gz JUMFHPAEVFSSKZ-CQSZACIVSA-N -1 0 242.274 3.200 50 0 BGAARM CC(C)(CC(=O)[O-])c1ccc(Cl)cc1 ZINC000002006410 526972810 /nfs/dbraw/zinc/97/28/10/526972810.db2.gz GLJZKNOAPGCBHC-UHFFFAOYSA-N -1 0 212.676 3.092 50 0 BGAARM CC(C)c1cc(C(=O)[O-])cc(C(C)C)c1O ZINC000002019646 167567347 /nfs/dbraw/zinc/56/73/47/167567347.db2.gz WYAZPCLFZZTVSP-UHFFFAOYSA-N -1 0 222.284 3.337 50 0 in-vitro BGAARM Cc1cc(=O)n([O-])c(C[C@H](C)CC(C)(C)C)c1 ZINC000002020088 178056321 /nfs/dbraw/zinc/05/63/21/178056321.db2.gz OIQJEQLSYJSNDS-NSHDSACASA-N -1 0 237.343 3.009 50 0 in-man BGAARM CC[C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000002021141 171238377 /nfs/dbraw/zinc/23/83/77/171238377.db2.gz XVEFRABIRRNWFO-VIFPVBQESA-N -1 0 243.100 3.027 50 0 BGAARM CC[C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000002021142 342714441 /nfs/dbraw/zinc/71/44/41/342714441.db2.gz XVEFRABIRRNWFO-SECBINFHSA-N -1 0 243.100 3.027 50 0 BGAARM CCCCOc1ccc(C(=O)[O-])c(Cl)c1 ZINC000002022864 342714674 /nfs/dbraw/zinc/71/46/74/342714674.db2.gz HLHJLZGHQGHWKG-UHFFFAOYSA-N -1 0 228.675 3.217 50 0 BGAARM [O-]c1cc(Cl)c(Br)cc1Cl ZINC000002039100 183257014 /nfs/dbraw/zinc/25/70/14/183257014.db2.gz HWWKEEKUMAZJLL-UHFFFAOYSA-N -1 0 241.899 3.462 50 0 BGAARM Cc1ccc([C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000002039148 383946513 /nfs/dbraw/zinc/94/65/13/383946513.db2.gz JYDAJZSDPZCZSG-CQSZACIVSA-N -1 0 226.275 3.212 50 0 BGAARM O=C([O-])c1cc(Cl)c(Cl)c(Cl)c1 ZINC000002041383 342715085 /nfs/dbraw/zinc/71/50/85/342715085.db2.gz ICUICNRYLHKQGS-UHFFFAOYSA-N -1 0 225.458 3.345 50 0 BGAARM O=C([O-])c1ccc(Cl)c(Cl)c1Cl ZINC000002041385 342715091 /nfs/dbraw/zinc/71/50/91/342715091.db2.gz ALLSOOQIDPLIER-UHFFFAOYSA-N -1 0 225.458 3.345 50 0 BGAARM CC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000002043786 170946644 /nfs/dbraw/zinc/94/66/44/170946644.db2.gz BCOVXKWQTYUMNW-MRVPVSSYSA-N -1 0 249.093 3.235 50 0 BGAARM S=c1[n-]c2sc3c(c2c(=S)[nH]1)CCC3 ZINC000002081817 183313358 /nfs/dbraw/zinc/31/33/58/183313358.db2.gz HYQVUVNPPYQSDC-UHFFFAOYSA-N -1 0 240.378 3.131 50 0 BGAARM CC[C@@]1(C)C[C@](CC(=O)[O-])(C(C)C)CCO1 ZINC000002108510 171207662 /nfs/dbraw/zinc/20/76/62/171207662.db2.gz OXHWUQUYNYICRL-STQMWFEESA-N -1 0 228.332 3.083 50 0 BGAARM CC[C@]1(C)C[C@@](CC(=O)[O-])(C(C)C)CCO1 ZINC000002108514 363161317 /nfs/dbraw/zinc/16/13/17/363161317.db2.gz OXHWUQUYNYICRL-CHWSQXEVSA-N -1 0 228.332 3.083 50 0 BGAARM CC(C)CC[C@@H](CC(=O)[O-])c1ccco1 ZINC000002120167 166894991 /nfs/dbraw/zinc/89/49/91/166894991.db2.gz JEKLOINPWUACIU-JTQLQIEISA-N -1 0 210.273 3.274 50 0 BGAARM CC(C)CC[C@H](CC(=O)[O-])c1ccco1 ZINC000002120169 342715934 /nfs/dbraw/zinc/71/59/34/342715934.db2.gz JEKLOINPWUACIU-SNVBAGLBSA-N -1 0 210.273 3.274 50 0 BGAARM Cn1c2ccccc2c2cc(C(=O)[O-])ccc21 ZINC000002140081 359636992 /nfs/dbraw/zinc/63/69/92/359636992.db2.gz HKCYYHQXRCUSRQ-UHFFFAOYSA-N -1 0 225.247 3.030 50 0 BGAARM CCCCCCNc1ccc(C(=O)[O-])cc1 ZINC000002145700 342716242 /nfs/dbraw/zinc/71/62/42/342716242.db2.gz LXOKKPODGWECLI-UHFFFAOYSA-N -1 0 221.300 3.377 50 0 BGAARM CC1(C(=O)[O-])c2ccccc2-c2ccccc21 ZINC000002159211 342716279 /nfs/dbraw/zinc/71/62/79/342716279.db2.gz PUPWRKQSVGUBQS-UHFFFAOYSA-N -1 0 224.259 3.058 50 0 BGAARM O=C([O-])CCCCCCC(=O)c1ccccc1 ZINC000002168376 383954140 /nfs/dbraw/zinc/95/41/40/383954140.db2.gz UMCSRRHQLAVYRS-UHFFFAOYSA-N -1 0 234.295 3.295 50 0 in-vivo BGAARM CCCCCSc1ncccc1C(=O)[O-] ZINC000002169164 342716565 /nfs/dbraw/zinc/71/65/65/342716565.db2.gz KBLCPQKUAQPOQS-UHFFFAOYSA-N -1 0 225.313 3.062 50 0 BGAARM O=C([O-])CSc1c(Cl)cccc1Cl ZINC000002169237 383954018 /nfs/dbraw/zinc/95/40/18/383954018.db2.gz URNRRSJGOOTQBO-UHFFFAOYSA-N -1 0 237.107 3.170 50 0 BGAARM O=C([O-])c1sc(Cl)c(Cl)c1Cl ZINC000002173186 342716795 /nfs/dbraw/zinc/71/67/95/342716795.db2.gz FVFYTPFJDMYLJS-UHFFFAOYSA-N -1 0 231.487 3.407 50 0 BGAARM Cc1ccccc1Nc1ccccc1C(=O)[O-] ZINC000002173765 179308510 /nfs/dbraw/zinc/30/85/10/179308510.db2.gz WAEMHISTVIYWOY-UHFFFAOYSA-N -1 0 227.263 3.437 50 0 BGAARM O=C([O-])CCCCCC(=O)c1ccc(F)cc1 ZINC000002242948 182435384 /nfs/dbraw/zinc/43/53/84/182435384.db2.gz UVSDFFYCQOHKQO-UHFFFAOYSA-N -1 0 238.258 3.044 50 0 BGAARM O=C([O-])c1ccc(Cl)cc1C(F)(F)F ZINC000002243106 342717377 /nfs/dbraw/zinc/71/73/77/342717377.db2.gz RKZXXMAQKMOZLK-UHFFFAOYSA-N -1 0 224.565 3.057 50 0 BGAARM O=C([O-])c1c(F)c(Cl)c(F)c(Cl)c1F ZINC000002243607 182548092 /nfs/dbraw/zinc/54/80/92/182548092.db2.gz WOGODDMTAFMNSE-UHFFFAOYSA-N -1 0 244.983 3.109 50 0 BGAARM O=C([O-])CCCCCCC(=O)C1CCCC1 ZINC000002243656 133444138 /nfs/dbraw/zinc/44/41/38/133444138.db2.gz QVTINBMJKAORHL-UHFFFAOYSA-N -1 0 226.316 3.171 50 0 BGAARM CC(C)(C)C(=O)CCCCCCC(=O)[O-] ZINC000002243664 166520974 /nfs/dbraw/zinc/52/09/74/166520974.db2.gz RMMNNMLCKHRFNJ-UHFFFAOYSA-N -1 0 214.305 3.027 50 0 BGAARM CCCCC(=O)CCCCCCC(=O)[O-] ZINC000002243668 528079588 /nfs/dbraw/zinc/07/95/88/528079588.db2.gz AKUXZPGBXGKAGN-UHFFFAOYSA-N -1 0 214.305 3.171 50 0 BGAARM O=C([O-])c1ccc(-c2ccc(F)cc2)s1 ZINC000002243975 342717416 /nfs/dbraw/zinc/71/74/16/342717416.db2.gz YOFXYDVYMHOXSY-UHFFFAOYSA-N -1 0 222.240 3.252 50 0 BGAARM CCCOc1ccc(C2(C(=O)[O-])CCCC2)cc1 ZINC000002307292 169317486 /nfs/dbraw/zinc/31/74/86/169317486.db2.gz MWRMMVFLULDWAC-UHFFFAOYSA-N -1 0 248.322 3.372 50 0 BGAARM CCCCSCc1ccc(C(=O)[O-])o1 ZINC000002324471 342718659 /nfs/dbraw/zinc/71/86/59/342718659.db2.gz UOUUMCATHZMDCA-UHFFFAOYSA-N -1 0 214.286 3.011 50 0 BGAARM O=C([O-])c1ccccc1NCc1ccsc1 ZINC000002324811 342718639 /nfs/dbraw/zinc/71/86/39/342718639.db2.gz CQPYVRZZIPFQIS-UHFFFAOYSA-N -1 0 233.292 3.058 50 0 BGAARM O=C([O-])CCCCc1nc2ccccc2s1 ZINC000002359281 383959123 /nfs/dbraw/zinc/95/91/23/383959123.db2.gz HHBVTXVPGVQCOD-UHFFFAOYSA-N -1 0 235.308 3.094 50 0 BGAARM O=C([O-])CCCCCCC(=O)c1cccs1 ZINC000002378479 383959776 /nfs/dbraw/zinc/95/97/76/383959776.db2.gz 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CC1(C)[C@H](/C=C(\Cl)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000002526780 168005415 /nfs/dbraw/zinc/00/54/15/168005415.db2.gz SPVZAYWHHVLPBN-AVCLAYCWSA-N -1 0 242.624 3.028 50 0 in-vitro BGAARM O=C([O-])c1cc(Cl)cc(C(F)(F)F)c1 ZINC000002527769 342722747 /nfs/dbraw/zinc/72/27/47/342722747.db2.gz IDLOGBMWOUINGG-UHFFFAOYSA-N -1 0 224.565 3.057 50 0 BGAARM Cc1ccc(/C=C/C(=O)[O-])cc1C(F)(F)F ZINC000002528416 178354580 /nfs/dbraw/zinc/35/45/80/178354580.db2.gz NYGYUKFEDBHBBB-SNAWJCMRSA-N -1 0 230.185 3.112 50 0 BGAARM O=C([O-])c1ccc(-c2ccc(F)cc2F)cc1 ZINC000002528960 342722900 /nfs/dbraw/zinc/72/29/00/342722900.db2.gz DGHGRAZWNAQANC-UHFFFAOYSA-N -1 0 234.201 3.330 50 0 BGAARM O=C([O-])c1cccc(-c2ccc(F)cc2F)c1 ZINC000002528961 182574974 /nfs/dbraw/zinc/57/49/74/182574974.db2.gz SFHXVEVGKASIEZ-UHFFFAOYSA-N -1 0 234.201 3.330 50 0 BGAARM Cc1ccc(-c2sc(C(=O)[O-])cc2C)o1 ZINC000002538585 178344402 /nfs/dbraw/zinc/34/44/02/178344402.db2.gz ZQZASOZGACCPDV-UHFFFAOYSA-N -1 0 222.265 3.323 50 0 BGAARM O=C([O-])c1ccc(C(F)(F)F)c(Cl)c1 ZINC000002540211 342723513 /nfs/dbraw/zinc/72/35/13/342723513.db2.gz UDXPRKSPAZWHQN-UHFFFAOYSA-N -1 0 224.565 3.057 50 0 BGAARM Cc1ccccc1OCc1ccccc1C(=O)[O-] ZINC000002546108 188101048 /nfs/dbraw/zinc/10/10/48/188101048.db2.gz RTVUGSBZUSWRRT-UHFFFAOYSA-N -1 0 242.274 3.272 50 0 BGAARM O=C([O-])c1ccc(-c2ccccc2)c(F)c1 ZINC000002548304 342723807 /nfs/dbraw/zinc/72/38/07/342723807.db2.gz PFKITESTTSWHMP-UHFFFAOYSA-N -1 0 216.211 3.191 50 0 BGAARM O=C([O-])c1csc(-c2cccc(Cl)c2)n1 ZINC000002548372 342723768 /nfs/dbraw/zinc/72/37/68/342723768.db2.gz DNSCDQVZFMLMAD-UHFFFAOYSA-N -1 0 239.683 3.162 50 0 BGAARM Cc1oc(-c2ccc(C)cc2)cc1C(=O)[O-] ZINC000002548387 178318428 /nfs/dbraw/zinc/31/84/28/178318428.db2.gz WWJLHTFFOPYRMV-UHFFFAOYSA-N -1 0 216.236 3.262 50 0 BGAARM Cc1ccc(Oc2ncccc2C(=O)[O-])c(C)c1 ZINC000002550114 178822166 /nfs/dbraw/zinc/82/21/66/178822166.db2.gz FEJNALSLLKBPEC-UHFFFAOYSA-N -1 0 243.262 3.189 50 0 BGAARM CC(C)(C)c1ccc(CCCC(=O)[O-])cc1 ZINC000002555522 383974458 /nfs/dbraw/zinc/97/44/58/383974458.db2.gz MDPZCXXNCSUROL-UHFFFAOYSA-N -1 0 220.312 3.391 50 0 BGAARM CCCCCc1ccc(C(=O)CCC(=O)[O-])cc1 ZINC000002555768 342723704 /nfs/dbraw/zinc/72/37/04/342723704.db2.gz MIHIJXVJKUGJED-UHFFFAOYSA-N -1 0 248.322 3.467 50 0 BGAARM CCCCc1ccc(C(=O)CCC(=O)[O-])cc1 ZINC000002555769 169019292 /nfs/dbraw/zinc/01/92/92/169019292.db2.gz CQXSYJVVDLNUAJ-UHFFFAOYSA-N -1 0 234.295 3.077 50 0 BGAARM O=C([O-])/C=C/c1cc(Cl)cc(Cl)c1 ZINC000002556123 383974221 /nfs/dbraw/zinc/97/42/21/383974221.db2.gz HJKSYRZNDJQTJQ-OWOJBTEDSA-N -1 0 217.051 3.091 50 0 BGAARM CCCCCCSc1n[n-]c(=S)s1 ZINC000002556304 342723735 /nfs/dbraw/zinc/72/37/35/342723735.db2.gz PXZAXJQJAWDCKS-UHFFFAOYSA-N -1 0 234.415 3.499 50 0 BGAARM CC[C@@H](Oc1ccc(C(C)C)cc1)C(=O)[O-] ZINC000002557811 342724123 /nfs/dbraw/zinc/72/41/23/342724123.db2.gz QRUIYXUMYBGOGG-GFCCVEGCSA-N -1 0 222.284 3.052 50 0 BGAARM CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000002557812 170946698 /nfs/dbraw/zinc/94/66/98/170946698.db2.gz WUEFGQXWIWCINJ-GFCCVEGCSA-N -1 0 236.311 3.226 50 0 BGAARM CC[C@@H](Oc1ccccc1C(C)C)C(=O)[O-] ZINC000002557819 342724064 /nfs/dbraw/zinc/72/40/64/342724064.db2.gz ZOTASNZXNMVFMO-LLVKDONJSA-N -1 0 222.284 3.052 50 0 BGAARM CC[C@@H](Oc1cc(C)c(Cl)c(C)c1)C(=O)[O-] ZINC000002557822 342723932 /nfs/dbraw/zinc/72/39/32/342723932.db2.gz SBQVJRJGCJTRLY-SNVBAGLBSA-N -1 0 242.702 3.199 50 0 BGAARM CC(C)(Oc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000002557833 188274964 /nfs/dbraw/zinc/27/49/64/188274964.db2.gz VUYQTJMONRDPAD-UHFFFAOYSA-N -1 0 249.093 3.235 50 0 BGAARM CCCc1sc(C(=O)[O-])cc1Br ZINC000002557840 169610658 /nfs/dbraw/zinc/61/06/58/169610658.db2.gz WMBFFUJISNVJLE-UHFFFAOYSA-N -1 0 249.129 3.161 50 0 BGAARM O=C([O-])c1sc2cccc(F)c2c1Cl ZINC000002557841 182598737 /nfs/dbraw/zinc/59/87/37/182598737.db2.gz RMXOFPIRXDWBGE-UHFFFAOYSA-N -1 0 230.647 3.392 50 0 BGAARM O=C([O-])c1cc2c(cc(Cl)cc2Cl)[nH]1 ZINC000002557959 342723964 /nfs/dbraw/zinc/72/39/64/342723964.db2.gz DHXISZKSSIWRLH-UHFFFAOYSA-N -1 0 230.050 3.173 50 0 in-vivo BGAARM Cc1scc(C(=O)[O-])c1-c1ccccc1 ZINC000002559451 180560989 /nfs/dbraw/zinc/56/09/89/180560989.db2.gz GIGSDQGBKJYLFV-UHFFFAOYSA-N -1 0 218.277 3.422 50 0 BGAARM CC(=O)c1ccc(-c2ccc(C(=O)[O-])cc2)cc1 ZINC000002559799 166449307 /nfs/dbraw/zinc/44/93/07/166449307.db2.gz PDBQNVDCQVGALU-UHFFFAOYSA-N -1 0 240.258 3.254 50 0 BGAARM Cc1oc(-c2ccc(F)cc2)cc1C(=O)[O-] ZINC000002563884 180526876 /nfs/dbraw/zinc/52/68/76/180526876.db2.gz NGJWATPYRGMGHI-UHFFFAOYSA-N -1 0 220.199 3.092 50 0 BGAARM Cc1ccc(-c2ccc(O)c(C(=O)[O-])c2)cc1 ZINC000002565437 178325360 /nfs/dbraw/zinc/32/53/60/178325360.db2.gz JLOYUQAJKMNTAU-UHFFFAOYSA-N -1 0 228.247 3.066 50 0 BGAARM Cc1ccc(Oc2ccccc2C(=O)[O-])cc1 ZINC000002565466 383976051 /nfs/dbraw/zinc/97/60/51/383976051.db2.gz GRUODACYFFPYCV-UHFFFAOYSA-N -1 0 228.247 3.486 50 0 BGAARM CCn1cc(-c2ccccc2)c(C(=O)[O-])c1C ZINC000002565493 172149198 /nfs/dbraw/zinc/14/91/98/172149198.db2.gz KGASOPILNXWTPW-UHFFFAOYSA-N -1 0 229.279 3.182 50 0 BGAARM Cc1ccc(-c2ccc(C(=O)[O-])cc2)cc1 ZINC000002565512 178322832 /nfs/dbraw/zinc/32/28/32/178322832.db2.gz RZOCCLOTCXINRG-UHFFFAOYSA-N -1 0 212.248 3.360 50 0 BGAARM O=C([O-])c1ccccc1C1CCCCC1 ZINC000002565540 342724600 /nfs/dbraw/zinc/72/46/00/342724600.db2.gz ZKTFZNPTAJIXMK-UHFFFAOYSA-N -1 0 204.269 3.433 50 0 BGAARM O=C([O-])c1cccc(-c2ccc(F)cc2)c1 ZINC000002565543 342724604 /nfs/dbraw/zinc/72/46/04/342724604.db2.gz YUQPLNXKGVRIAJ-UHFFFAOYSA-N -1 0 216.211 3.191 50 0 BGAARM Cc1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC000002565544 178326456 /nfs/dbraw/zinc/32/64/56/178326456.db2.gz APYJGQZXCGXMGB-UHFFFAOYSA-N -1 0 212.248 3.360 50 0 BGAARM CCCCCCc1ccc(CC(=O)[O-])cc1 ZINC000002565556 168682150 /nfs/dbraw/zinc/68/21/50/168682150.db2.gz UBZRHPKSSNSRGT-UHFFFAOYSA-N -1 0 220.312 3.437 50 0 BGAARM CCCOC(=O)c1cc(Cl)c([O-])c(Cl)c1 ZINC000002566191 169300953 /nfs/dbraw/zinc/30/09/53/169300953.db2.gz WZTZPDOCOFUQFM-UHFFFAOYSA-N -1 0 249.093 3.266 50 0 BGAARM CCCOc1c(Cl)cc(C(=O)[O-])cc1Cl ZINC000002567022 169314287 /nfs/dbraw/zinc/31/42/87/169314287.db2.gz IMSKTSQBDRLEBN-UHFFFAOYSA-N -1 0 249.093 3.480 50 0 BGAARM CCCCCC(=O)CCCCCC(=O)[O-] ZINC000002569203 168632842 /nfs/dbraw/zinc/63/28/42/168632842.db2.gz UYRLZDDBOQZTSR-UHFFFAOYSA-N -1 0 214.305 3.171 50 0 BGAARM O=C([O-])c1cccc(C(F)(F)F)c1Cl ZINC000002569254 342724885 /nfs/dbraw/zinc/72/48/85/342724885.db2.gz AXOAWWUSRZCGKS-UHFFFAOYSA-N -1 0 224.565 3.057 50 0 BGAARM C[C@H](CC(=O)[O-])c1ccc(OC(C)(C)C)cc1 ZINC000002569326 342724842 /nfs/dbraw/zinc/72/48/42/342724842.db2.gz MJRNBWCHZXWUCY-SNVBAGLBSA-N -1 0 236.311 3.442 50 0 BGAARM C[C@@H](CC(=O)[O-])c1ccc(OC(C)(C)C)cc1 ZINC000002569328 342724731 /nfs/dbraw/zinc/72/47/31/342724731.db2.gz MJRNBWCHZXWUCY-JTQLQIEISA-N -1 0 236.311 3.442 50 0 BGAARM CCOc1ccc(-c2ccc(C(=O)[O-])cc2)cc1 ZINC000002569862 342785920 /nfs/dbraw/zinc/78/59/20/342785920.db2.gz NLHZIBRSZUFDFU-UHFFFAOYSA-N -1 0 242.274 3.451 50 0 BGAARM O=C([O-])C1(c2ccccc2F)CCCCC1 ZINC000002570121 383978584 /nfs/dbraw/zinc/97/85/84/383978584.db2.gz ODLLDVJLQPBPPC-UHFFFAOYSA-N -1 0 222.259 3.112 50 0 BGAARM CC(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000002570794 383977732 /nfs/dbraw/zinc/97/77/32/383977732.db2.gz FFAVKFQPEOGJOA-UHFFFAOYSA-N -1 0 249.491 3.011 50 0 BGAARM O=C([O-])Cc1ccccc1Oc1ccccc1 ZINC000002571872 383979061 /nfs/dbraw/zinc/97/90/61/383979061.db2.gz CWWCQGGNKDBSNT-UHFFFAOYSA-N -1 0 228.247 3.106 50 0 BGAARM O=C([O-])/C=C/c1cccc(Cl)c1Cl ZINC000002572744 383978717 /nfs/dbraw/zinc/97/87/17/383978717.db2.gz RCEWIEGWGDHVNK-SNAWJCMRSA-N -1 0 217.051 3.091 50 0 BGAARM [O-]c1c(Cl)cc(Cl)cc1-c1cc[nH]n1 ZINC000002574005 342724971 /nfs/dbraw/zinc/72/49/71/342724971.db2.gz MZRAYBSAMAGCRX-UHFFFAOYSA-N -1 0 229.066 3.089 50 0 BGAARM Cc1ccccc1-c1cccc(C(=O)[O-])c1 ZINC000002574056 179237109 /nfs/dbraw/zinc/23/71/09/179237109.db2.gz IAZJDWZUCUHVPQ-UHFFFAOYSA-N -1 0 212.248 3.360 50 0 BGAARM Cc1cccc(-c2ccc(C(=O)[O-])cc2)c1 ZINC000002574057 178993555 /nfs/dbraw/zinc/99/35/55/178993555.db2.gz CVFLWXCNPWFJEH-UHFFFAOYSA-N -1 0 212.248 3.360 50 0 BGAARM Cc1ccccc1-c1ccc(C(=O)[O-])cc1 ZINC000002574058 179236037 /nfs/dbraw/zinc/23/60/37/179236037.db2.gz NDNIPPKLIDCYGD-UHFFFAOYSA-N -1 0 212.248 3.360 50 0 BGAARM COc1ccccc1-c1cccc(C(=O)[O-])c1 ZINC000002574063 175309823 /nfs/dbraw/zinc/30/98/23/175309823.db2.gz COUUHAJQLHMNJM-UHFFFAOYSA-N -1 0 228.247 3.060 50 0 BGAARM COc1cccc(-c2cccc(C(=O)[O-])c2)c1 ZINC000002574064 175234188 /nfs/dbraw/zinc/23/41/88/175234188.db2.gz JFPVSZXZHHOWMI-UHFFFAOYSA-N -1 0 228.247 3.060 50 0 BGAARM COc1ccccc1-c1ccc(C(=O)[O-])cc1 ZINC000002574066 175309180 /nfs/dbraw/zinc/30/91/80/175309180.db2.gz YQLGXBYAHYGABI-UHFFFAOYSA-N -1 0 228.247 3.060 50 0 BGAARM COc1cccc(-c2ccc(C(=O)[O-])cc2)c1 ZINC000002574067 175234297 /nfs/dbraw/zinc/23/42/97/175234297.db2.gz OAMJQKDGQYAQKD-UHFFFAOYSA-N -1 0 228.247 3.060 50 0 BGAARM O=C([O-])c1cccc(-c2cccc(F)c2)c1 ZINC000002574074 342724940 /nfs/dbraw/zinc/72/49/40/342724940.db2.gz MZZYPWIFSCZUHN-UHFFFAOYSA-N -1 0 216.211 3.191 50 0 BGAARM O=C([O-])c1ccc(-c2cccc(F)c2)cc1 ZINC000002574075 342725048 /nfs/dbraw/zinc/72/50/48/342725048.db2.gz SJIIGBFXZWSXJP-UHFFFAOYSA-N -1 0 216.211 3.191 50 0 BGAARM O=C([O-])c1cccc(-c2ccccc2F)c1 ZINC000002574076 182574873 /nfs/dbraw/zinc/57/48/73/182574873.db2.gz KJRAPRROUUCCPO-UHFFFAOYSA-N -1 0 216.211 3.191 50 0 BGAARM O=C([O-])CCc1c(Cl)cccc1Cl ZINC000002574321 383979296 /nfs/dbraw/zinc/97/92/96/383979296.db2.gz IDEOVPXKPDUXTP-UHFFFAOYSA-N -1 0 219.067 3.011 50 0 BGAARM Cc1ccccc1C(=O)C[C@@H]1CCC[C@H]1C(=O)[O-] ZINC000002574445 179245528 /nfs/dbraw/zinc/24/55/28/179245528.db2.gz YULBUSBANSAEBU-WCQYABFASA-N -1 0 246.306 3.069 50 0 BGAARM Cc1cccc(C(=O)C[C@@H]2CCC[C@H]2C(=O)[O-])c1 ZINC000002574446 179004080 /nfs/dbraw/zinc/00/40/80/179004080.db2.gz NPMUCUJKBYLKQK-WCQYABFASA-N -1 0 246.306 3.069 50 0 BGAARM Cc1ccc(C(=O)C[C@@H]2CCC[C@H]2C(=O)[O-])cc1 ZINC000002574447 342725060 /nfs/dbraw/zinc/72/50/60/342725060.db2.gz 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PCNHWBAPTNAREE-UHFFFAOYSA-N -1 0 242.555 3.196 50 0 BGAARM O=C([O-])c1cc(Cl)ccc1C(F)(F)F ZINC000002574966 342725335 /nfs/dbraw/zinc/72/53/35/342725335.db2.gz FWLFUSUVWNEKRN-UHFFFAOYSA-N -1 0 224.565 3.057 50 0 BGAARM O=C([O-])CCCCCCc1ccccc1 ZINC000002575483 383978496 /nfs/dbraw/zinc/97/84/96/383978496.db2.gz ZVSXKFNTWOIGJI-UHFFFAOYSA-N -1 0 206.285 3.264 50 0 in-vitro BGAARM O=C1CCCCC1=C([O-])c1ccc(Cl)cc1 ZINC000002579290 368369308 /nfs/dbraw/zinc/36/93/08/368369308.db2.gz MNCFWYXCYZTXJU-NSHDSACASA-N -1 0 236.698 3.282 50 0 BGAARM O=C([O-])CCC(=O)c1cccc(Cl)c1Cl ZINC000002579919 383978909 /nfs/dbraw/zinc/97/89/09/383978909.db2.gz ZDPLPJUODUTOIR-UHFFFAOYSA-N -1 0 247.077 3.041 50 0 in-vitro BGAARM O=C([O-])CCC(=O)c1cc(Cl)ccc1Cl ZINC000002579928 383979201 /nfs/dbraw/zinc/97/92/01/383979201.db2.gz FZLOKTSWFCRCNC-UHFFFAOYSA-N -1 0 247.077 3.041 50 0 BGAARM CCc1ccc(C(=O)CCCCC(=O)[O-])cc1 ZINC000002579939 342725569 /nfs/dbraw/zinc/72/55/69/342725569.db2.gz CFEOGPIWHAUYRZ-UHFFFAOYSA-N -1 0 234.295 3.077 50 0 BGAARM CCc1ccc(C(=O)CCCCCC(=O)[O-])cc1 ZINC000002579940 342725455 /nfs/dbraw/zinc/72/54/55/342725455.db2.gz IRSYCGLGWKMVQW-UHFFFAOYSA-N -1 0 248.322 3.467 50 0 BGAARM CCCc1ccc(C(=O)CCCC(=O)[O-])cc1 ZINC000002579942 187246217 /nfs/dbraw/zinc/24/62/17/187246217.db2.gz URHNYGDNUORSCI-UHFFFAOYSA-N -1 0 234.295 3.077 50 0 BGAARM CCCc1ccc(C(=O)CCCCC(=O)[O-])cc1 ZINC000002579943 383978155 /nfs/dbraw/zinc/97/81/55/383978155.db2.gz FJYHPSLFBUGBMT-UHFFFAOYSA-N -1 0 248.322 3.467 50 0 BGAARM CC(C)c1ccc(C(=O)CCCC(=O)[O-])cc1 ZINC000002579946 188100865 /nfs/dbraw/zinc/10/08/65/188100865.db2.gz ZDLSMQFJULLIEF-UHFFFAOYSA-N -1 0 234.295 3.248 50 0 BGAARM CCCCc1ccc(C(=O)CCCC(=O)[O-])cc1 ZINC000002579950 169019659 /nfs/dbraw/zinc/01/96/59/169019659.db2.gz QUBYDYBBXCCCEA-UHFFFAOYSA-N -1 0 248.322 3.467 50 0 BGAARM CC(C)(C)c1ccc(C(=O)CCC(=O)[O-])cc1 ZINC000002579954 342725416 /nfs/dbraw/zinc/72/54/16/342725416.db2.gz XJHBTHNAMOUNRQ-UHFFFAOYSA-N -1 0 234.295 3.032 50 0 BGAARM CC(C)(C)c1ccc(C(=O)CCCC(=O)[O-])cc1 ZINC000002579955 383977793 /nfs/dbraw/zinc/97/77/93/383977793.db2.gz AFFDWEJUANCIGY-UHFFFAOYSA-N -1 0 248.322 3.422 50 0 BGAARM Cc1ccccc1-c1ccccc1C(=O)[O-] ZINC000002580772 179236301 /nfs/dbraw/zinc/23/63/01/179236301.db2.gz GOAWMKUDICJPHY-UHFFFAOYSA-N -1 0 212.248 3.360 50 0 BGAARM COc1cccc(-c2ccccc2C(=O)[O-])c1 ZINC000002581005 175235190 /nfs/dbraw/zinc/23/51/90/175235190.db2.gz RTAAHOXEHROLKE-UHFFFAOYSA-N -1 0 228.247 3.060 50 0 BGAARM CCOc1cccc(-c2ccccc2C(=O)[O-])c1 ZINC000002581009 342725444 /nfs/dbraw/zinc/72/54/44/342725444.db2.gz XYOHNGPCYXWZEG-UHFFFAOYSA-N -1 0 242.274 3.451 50 0 BGAARM CCOc1cccc(-c2cccc(C(=O)[O-])c2)c1 ZINC000002581010 342725573 /nfs/dbraw/zinc/72/55/73/342725573.db2.gz MXTHFRNNBDCGFY-UHFFFAOYSA-N -1 0 242.274 3.451 50 0 BGAARM CCOc1cccc(-c2ccc(C(=O)[O-])cc2)c1 ZINC000002581011 342725572 /nfs/dbraw/zinc/72/55/72/342725572.db2.gz XPDQGPUCKPVYNI-UHFFFAOYSA-N -1 0 242.274 3.451 50 0 BGAARM O=C([O-])c1ccccc1-c1cccc(F)c1 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182559032 /nfs/dbraw/zinc/55/90/32/182559032.db2.gz STMAOBOTFAMOLD-UHFFFAOYSA-N -1 0 230.050 3.173 50 0 BGAARM CC(C)COc1ccc(Cl)cc1C(=O)[O-] ZINC000002584146 383981305 /nfs/dbraw/zinc/98/13/05/383981305.db2.gz ZNDALCPDRGWIFO-UHFFFAOYSA-N -1 0 228.675 3.073 50 0 BGAARM CCCCOc1ccc(Cl)cc1C(=O)[O-] ZINC000002584160 168917970 /nfs/dbraw/zinc/91/79/70/168917970.db2.gz MEECPFMWMVEMIX-UHFFFAOYSA-N -1 0 228.675 3.217 50 0 BGAARM CC(C)CSc1ccccc1C(=O)[O-] ZINC000002584162 188100661 /nfs/dbraw/zinc/10/06/61/188100661.db2.gz JYJZOPWGIOPLTC-UHFFFAOYSA-N -1 0 210.298 3.133 50 0 BGAARM O=C([O-])c1ccccc1-c1ccc(F)cc1 ZINC000002585759 342726031 /nfs/dbraw/zinc/72/60/31/342726031.db2.gz LGVNEKHPDXUTKA-UHFFFAOYSA-N -1 0 216.211 3.191 50 0 BGAARM Cc1cccc(COc2ccccc2C(=O)[O-])c1 ZINC000002635366 383981958 /nfs/dbraw/zinc/98/19/58/383981958.db2.gz BENLLRCXXCQLTC-UHFFFAOYSA-N -1 0 242.274 3.272 50 0 BGAARM O=C([O-])COc1ccc2oc3ccccc3c2c1 ZINC000002643720 383981031 /nfs/dbraw/zinc/98/10/31/383981031.db2.gz 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/nfs/dbraw/zinc/31/19/77/170311977.db2.gz SOYPMQLEJWZWBT-UHFFFAOYSA-N -1 0 249.257 3.439 50 0 BGAARM O=C([O-])Cc1ccccc1CCc1ccccc1 ZINC000003198964 384001963 /nfs/dbraw/zinc/00/19/63/384001963.db2.gz KTQWGNHDJFGNTG-UHFFFAOYSA-N -1 0 240.302 3.099 50 0 BGAARM C[C@@H]1CC[C@@H](C)[C@H](CCCCS(=O)(=O)[O-])C1 ZINC000003200676 176200443 /nfs/dbraw/zinc/20/04/43/176200443.db2.gz SMHOOPJVGBBTGZ-IJLUTSLNSA-N -1 0 248.388 3.117 50 0 BGAARM Cc1cc(OCc2ccccc2)ccc1C(=O)[O-] ZINC000003201113 178212512 /nfs/dbraw/zinc/21/25/12/178212512.db2.gz GAKFWANCNDKESO-UHFFFAOYSA-N -1 0 242.274 3.272 50 0 BGAARM CCCCP(=O)(CCCC)CCC(=O)[O-] ZINC000003205185 368369283 /nfs/dbraw/zinc/36/92/83/368369283.db2.gz RPZRSTZAKGTFNK-UHFFFAOYSA-N -1 0 234.276 3.424 50 0 BGAARM O=C([O-])c1ccccc1OCc1ccc(F)cc1 ZINC000003243408 342731993 /nfs/dbraw/zinc/73/19/93/342731993.db2.gz BQYHWZTZZNBDMR-UHFFFAOYSA-N -1 0 246.237 3.103 50 0 BGAARM CC[C@@H](C)n1c(=O)c2ccccc2[n-]c1=S ZINC000003249527 384001274 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/nfs/dbraw/zinc/02/65/87/384026587.db2.gz ZUWDKKMUSSQAPT-UHFFFAOYSA-N -1 0 241.290 3.427 50 0 BGAARM Cc1cc(C)c2c(c1)nc(C1CC1)cc2C(=O)[O-] ZINC000003756924 384025837 /nfs/dbraw/zinc/02/58/37/384025837.db2.gz IYYGTQJREKNORA-UHFFFAOYSA-N -1 0 241.290 3.427 50 0 BGAARM O=C([O-])c1cc(C2CC2)nc2ccc(Cl)cc21 ZINC000003757112 342737304 /nfs/dbraw/zinc/73/73/04/342737304.db2.gz NQFVACCQTKXGON-UHFFFAOYSA-N -1 0 247.681 3.464 50 0 BGAARM Cc1cc(C(=O)[O-])c2cc(C(C)C)ccc2n1 ZINC000003757232 177823908 /nfs/dbraw/zinc/82/39/08/177823908.db2.gz XVCKQOKPSSPILZ-UHFFFAOYSA-N -1 0 229.279 3.365 50 0 BGAARM Cc1cccc2c(C(=O)[O-])cc(C3CC3)nc12 ZINC000003757804 179209228 /nfs/dbraw/zinc/20/92/28/179209228.db2.gz VVPVPMDLOYRHAL-UHFFFAOYSA-N -1 0 227.263 3.119 50 0 BGAARM CC(C)c1cc(C(=O)[O-])c2ccccc2n1 ZINC000003757837 342737429 /nfs/dbraw/zinc/73/74/29/342737429.db2.gz ZHQZYLFXDJYBGO-UHFFFAOYSA-N -1 0 215.252 3.056 50 0 BGAARM Cc1ccc(C)c(CCC(C)(C)C(=O)[O-])c1 ZINC000003843412 384872781 /nfs/dbraw/zinc/87/27/81/384872781.db2.gz WGRTZDIGLLBIQQ-UHFFFAOYSA-N -1 0 220.312 3.347 50 0 BGAARM CC1(C)CC(C)(C)c2cc(C(=O)[O-])ccc21 ZINC000003844230 384871638 /nfs/dbraw/zinc/87/16/38/384871638.db2.gz LOGJNALLOWJWGG-UHFFFAOYSA-N -1 0 218.296 3.344 50 0 BGAARM Cc1ccc(C(C)C)cc1CCC(=O)[O-] ZINC000003844290 384872904 /nfs/dbraw/zinc/87/29/04/384872904.db2.gz IWWSMTGWPBOKGX-UHFFFAOYSA-N -1 0 206.285 3.136 50 0 BGAARM O=Nc1ccc2c(O)ccc(N=O)c2c1[O-] ZINC000003845651 384873367 /nfs/dbraw/zinc/87/33/67/384873367.db2.gz DABKXPDBJSTVCM-UHFFFAOYSA-N -1 0 218.168 3.047 50 0 BGAARM CC(C(=O)[O-])(c1ccccc1)c1ccccc1 ZINC000003845890 384029215 /nfs/dbraw/zinc/02/92/15/384029215.db2.gz ODELFXJUOVNEFZ-UHFFFAOYSA-N -1 0 226.275 3.077 50 0 BGAARM O=C([O-])c1ccc(Sc2ccccc2)o1 ZINC000003850596 384032316 /nfs/dbraw/zinc/03/23/16/384032316.db2.gz PIXPAIDQEWKTIX-UHFFFAOYSA-N -1 0 220.249 3.129 50 0 BGAARM O=C([O-])c1cccc2c3ccccc3oc21 ZINC000003850975 342738382 /nfs/dbraw/zinc/73/83/82/342738382.db2.gz BSMAWCXKHJSJIB-UHFFFAOYSA-N -1 0 212.204 3.284 50 0 BGAARM Cc1ccc(C)n1[C@@H](CC(=O)[O-])c1ccsc1 ZINC000003880945 178511056 /nfs/dbraw/zinc/51/10/56/178511056.db2.gz YJAWOHTVPDBMKW-LBPRGKRZSA-N -1 0 249.335 3.231 50 0 BGAARM Cc1ccc(C)n1[C@H](CC(=O)[O-])c1ccsc1 ZINC000003880946 342738628 /nfs/dbraw/zinc/73/86/28/342738628.db2.gz YJAWOHTVPDBMKW-GFCCVEGCSA-N -1 0 249.335 3.231 50 0 BGAARM O=NN(c1ccccc1)c1ccccc1C(=O)[O-] ZINC000003882953 384032108 /nfs/dbraw/zinc/03/21/08/384032108.db2.gz APUOHIMFFPIDRF-UHFFFAOYSA-N -1 0 242.234 3.204 50 0 BGAARM O=C([O-])/C=C/c1cc(Cl)ccc1OC(F)F ZINC000003884619 182411237 /nfs/dbraw/zinc/41/12/37/182411237.db2.gz CHRACTNYZGBMOH-DAFODLJHSA-N -1 0 248.612 3.039 50 0 BGAARM Cc1cc(C)c2c(c1)c(C)cc1n[n-]c(=S)n12 ZINC000003886667 342738886 /nfs/dbraw/zinc/73/88/86/342738886.db2.gz ICVNTNDWRJGXMB-UHFFFAOYSA-N -1 0 243.335 3.470 50 0 BGAARM O=C([O-])c1cc2c(s1)CCCCCC2 ZINC000003887524 342739193 /nfs/dbraw/zinc/73/91/93/342739193.db2.gz XKWUEZYMRWQSOI-UHFFFAOYSA-N -1 0 210.298 3.105 50 0 BGAARM COc1ccc(-c2cc(C(=O)[O-])sc2C)cc1 ZINC000003888015 175031065 /nfs/dbraw/zinc/03/10/65/175031065.db2.gz LVMYIOZBPWDMAD-UHFFFAOYSA-N -1 0 248.303 3.430 50 0 BGAARM CC12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C2)C3 ZINC000003895612 168073989 /nfs/dbraw/zinc/07/39/89/168073989.db2.gz DHIIUPVOLLOORM-UHFFFAOYSA-N -1 0 222.328 3.458 50 0 BGAARM O=C([O-])CCSCc1cc2ccccc2o1 ZINC000003900238 182449605 /nfs/dbraw/zinc/44/96/05/182449605.db2.gz JHBLECIHCWXIFG-UHFFFAOYSA-N -1 0 236.292 3.141 50 0 BGAARM C[C@H](SC12CC3CC(CC(C3)C1)C2)C(=O)[O-] ZINC000003900379 525971473 /nfs/dbraw/zinc/97/14/73/525971473.db2.gz JTKRUOOICRMFSA-RERGEOBBSA-N -1 0 240.368 3.162 50 0 BGAARM C[C@@H](SC12CC3CC(CC(C3)C1)C2)C(=O)[O-] ZINC000003900381 176007615 /nfs/dbraw/zinc/00/76/15/176007615.db2.gz JTKRUOOICRMFSA-SEOMOHDOSA-N -1 0 240.368 3.162 50 0 BGAARM O=C([O-])CCCCCc1nccc2ccccc21 ZINC000004000258 398327529 /nfs/dbraw/zinc/32/75/29/398327529.db2.gz AQTYVBSCVZBJPM-UHFFFAOYSA-N -1 0 243.306 3.422 50 0 BGAARM O=C([O-])[C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000004018831 342741094 /nfs/dbraw/zinc/74/10/94/342741094.db2.gz KBAOXJSNMBNBHM-SECBINFHSA-N -1 0 249.697 3.326 50 0 in-vitro BGAARM CC[C@@]1(C)C[C@@](CC(=O)[O-])(C(C)C)CCO1 ZINC000004065018 398328043 /nfs/dbraw/zinc/32/80/43/398328043.db2.gz OXHWUQUYNYICRL-QWHCGFSZSA-N -1 0 228.332 3.083 50 0 BGAARM CC[C@]1(C)C[C@](CC(=O)[O-])(C(C)C)CCO1 ZINC000004065019 372128528 /nfs/dbraw/zinc/12/85/28/372128528.db2.gz OXHWUQUYNYICRL-OLZOCXBDSA-N -1 0 228.332 3.083 50 0 BGAARM CC(C)CC[C@]1(CC(=O)[O-])CCOC(C)(C)C1 ZINC000004073823 372129131 /nfs/dbraw/zinc/12/91/31/372129131.db2.gz KXIRDJYVHVRYML-CQSZACIVSA-N -1 0 242.359 3.473 50 0 BGAARM CC(C)CC[C@@]1(CC(=O)[O-])CCOC(C)(C)C1 ZINC000004073824 342898225 /nfs/dbraw/zinc/89/82/25/342898225.db2.gz KXIRDJYVHVRYML-AWEZNQCLSA-N -1 0 242.359 3.473 50 0 BGAARM O=C([O-])c1ccc2[nH]c3ccccc3c2c1 ZINC000004087458 358228264 /nfs/dbraw/zinc/22/82/64/358228264.db2.gz UZRJWXGXZKPSJO-UHFFFAOYSA-N -1 0 211.220 3.019 50 0 BGAARM Cc1csc(-c2ccccc2)c1C(=O)[O-] ZINC000004088381 179760327 /nfs/dbraw/zinc/76/03/27/179760327.db2.gz NHKMYMPYOBJAIQ-UHFFFAOYSA-N -1 0 218.277 3.422 50 0 BGAARM O=C([O-])c1cccc(Oc2cccc(Cl)n2)c1 ZINC000004105041 342742523 /nfs/dbraw/zinc/74/25/23/342742523.db2.gz VDODOKUCZAQJII-UHFFFAOYSA-N -1 0 249.653 3.226 50 0 BGAARM O=C([O-])CCCOc1c(Cl)cccc1Cl ZINC000004105126 384040447 /nfs/dbraw/zinc/04/04/47/384040447.db2.gz WJYHXANOKSWCLH-UHFFFAOYSA-N -1 0 249.093 3.237 50 0 BGAARM Cc1ccc(OCc2ccccc2C(=O)[O-])cc1 ZINC000004107687 384039581 /nfs/dbraw/zinc/03/95/81/384039581.db2.gz WIXMNHDXMGVQOY-UHFFFAOYSA-N -1 0 242.274 3.272 50 0 BGAARM O=C([O-])Cc1c(Cl)sc2ccccc21 ZINC000004109983 384041386 /nfs/dbraw/zinc/04/13/86/384041386.db2.gz PPFOPIJLZRGOGA-UHFFFAOYSA-N -1 0 226.684 3.182 50 0 BGAARM Cc1cc(C)c2cc(C(=O)[O-])c(Cl)nc2c1 ZINC000004130150 384041862 /nfs/dbraw/zinc/04/18/62/384041862.db2.gz ZGESZWCCEPKFLN-UHFFFAOYSA-N -1 0 235.670 3.203 50 0 BGAARM Cc1cc2occ(CC(=O)[O-])c2cc1Cl ZINC000004137160 178307302 /nfs/dbraw/zinc/30/73/02/178307302.db2.gz LJUUKSDHSFDRBS-UHFFFAOYSA-N -1 0 224.643 3.022 50 0 BGAARM CC(C)(Oc1cccc2ccccc21)C(=O)[O-] ZINC000004196440 187247183 /nfs/dbraw/zinc/24/71/83/187247183.db2.gz WGXRLJQIXNXFSY-UHFFFAOYSA-N -1 0 230.263 3.082 50 0 BGAARM O=C([O-])c1cc2c(cccc2Cl)s1 ZINC000004200409 342743784 /nfs/dbraw/zinc/74/37/84/342743784.db2.gz IPAXPERGAMNMIJ-UHFFFAOYSA-N -1 0 212.657 3.253 50 0 BGAARM O=C([O-])c1c[nH]cc1-c1ccc(Cl)cc1 ZINC000004203526 342744032 /nfs/dbraw/zinc/74/40/32/342744032.db2.gz AQBPGMPHZORECB-UHFFFAOYSA-N -1 0 221.643 3.033 50 0 BGAARM Cc1cc(-c2ccc(C(=O)[O-])cc2)ccc1F ZINC000004204253 342744030 /nfs/dbraw/zinc/74/40/30/342744030.db2.gz VHCGFUUYMSWCTC-UHFFFAOYSA-N -1 0 230.238 3.499 50 0 BGAARM Cc1cc(-c2cccc(C(=O)[O-])c2)ccc1F ZINC000004204256 342744126 /nfs/dbraw/zinc/74/41/26/342744126.db2.gz DMRIFZLXTUSOJE-UHFFFAOYSA-N -1 0 230.238 3.499 50 0 BGAARM Cc1ccc(-c2ccc(C(=O)[O-])cc2)cc1F ZINC000004204259 178322655 /nfs/dbraw/zinc/32/26/55/178322655.db2.gz AGILKOZQHXYYDS-UHFFFAOYSA-N -1 0 230.238 3.499 50 0 BGAARM Cc1ccc(-c2cccc(C(=O)[O-])c2)cc1F ZINC000004204262 178326279 /nfs/dbraw/zinc/32/62/79/178326279.db2.gz VEWZKMNALHTVOT-UHFFFAOYSA-N -1 0 230.238 3.499 50 0 BGAARM COc1ccc(-c2cccc(C(=O)[O-])c2)cc1F ZINC000004204268 175034381 /nfs/dbraw/zinc/03/43/81/175034381.db2.gz GHGPUBRBMIRIRH-UHFFFAOYSA-N -1 0 246.237 3.200 50 0 BGAARM O=C([O-])c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000004205286 342743981 /nfs/dbraw/zinc/74/39/81/342743981.db2.gz SIZBLUIRHOCGJA-UHFFFAOYSA-N -1 0 229.279 3.135 50 0 BGAARM Cc1oc(-c2ccc(Cl)cc2)nc1C(=O)[O-] ZINC000004205357 342744074 /nfs/dbraw/zinc/74/40/74/342744074.db2.gz VKGNZWBREYZBKG-UHFFFAOYSA-N -1 0 237.642 3.002 50 0 BGAARM CC(C)(C)c1ccc(CCC(=O)[O-])cc1 ZINC000004206065 342744327 /nfs/dbraw/zinc/74/43/27/342744327.db2.gz BNJYANVQFVSYEK-UHFFFAOYSA-N -1 0 206.285 3.001 50 0 in-vitro BGAARM Cc1c2cc(Cl)ccc2oc1C(=O)[O-] ZINC000004206072 342744329 /nfs/dbraw/zinc/74/43/29/342744329.db2.gz QEYMIQBZTUQKAC-UHFFFAOYSA-N -1 0 210.616 3.093 50 0 BGAARM O=C([O-])c1ccc(C2SCCCS2)cc1 ZINC000004206075 342744206 /nfs/dbraw/zinc/74/42/06/342744206.db2.gz CPSYTIVTRCUOTA-UHFFFAOYSA-N -1 0 240.349 3.254 50 0 BGAARM S=c1[n-]nc(SCc2cccs2)s1 ZINC000004206265 384045556 /nfs/dbraw/zinc/04/55/56/384045556.db2.gz HINQNJUGIPMQCH-UHFFFAOYSA-N -1 0 246.407 3.181 50 0 BGAARM O=C([O-])c1sc2sccc2c1Cl ZINC000004206511 342744332 /nfs/dbraw/zinc/74/43/32/342744332.db2.gz GCQFYYGUNYJMNY-UHFFFAOYSA-N -1 0 218.686 3.314 50 0 BGAARM Cc1c(C(=O)[O-])sc2cccc(F)c12 ZINC000004206512 342744373 /nfs/dbraw/zinc/74/43/73/342744373.db2.gz SLKHVQZFOWEYQS-UHFFFAOYSA-N -1 0 210.229 3.047 50 0 BGAARM CCc1ccc(-c2nc(C)c(C(=O)[O-])s2)cc1 ZINC000004206921 342744354 /nfs/dbraw/zinc/74/43/54/342744354.db2.gz PJCLTRLEYYGFNR-UHFFFAOYSA-N -1 0 247.319 3.379 50 0 BGAARM Cc1ccc(-c2nc(CC(=O)[O-])cs2)c(C)c1 ZINC000004206924 178334149 /nfs/dbraw/zinc/33/41/49/178334149.db2.gz AQDKCBABWSPBMW-UHFFFAOYSA-N -1 0 247.319 3.054 50 0 BGAARM CCc1ccc(-c2nc(C(=O)[O-])cs2)cc1 ZINC000004206926 171779093 /nfs/dbraw/zinc/77/90/93/171779093.db2.gz OKIXVEUDAQRHLQ-UHFFFAOYSA-N -1 0 233.292 3.071 50 0 BGAARM Cc1ccc(-c2ccsc2C(=O)[O-])cc1 ZINC000004207029 178327979 /nfs/dbraw/zinc/32/79/79/178327979.db2.gz GCEHBBDKPSCJCF-UHFFFAOYSA-N -1 0 218.277 3.422 50 0 BGAARM CCc1oc2ccccc2c1/C=C/C(=O)[O-] ZINC000004218487 172111847 /nfs/dbraw/zinc/11/18/47/172111847.db2.gz FQMDNBOMVIMWDA-BQYQJAHWSA-N -1 0 216.236 3.093 50 0 BGAARM O=C([O-])CCc1ccc(-c2ccccc2F)o1 ZINC000004218682 384047421 /nfs/dbraw/zinc/04/74/21/384047421.db2.gz KUMBITMQUAOMGM-UHFFFAOYSA-N -1 0 234.226 3.103 50 0 BGAARM O=C([O-])/C=C/c1csc(-c2ccc(F)cc2)n1 ZINC000004219188 384047611 /nfs/dbraw/zinc/04/76/11/384047611.db2.gz OTYBJFXNZZTKRC-AATRIKPKSA-N -1 0 249.266 3.047 50 0 BGAARM Cc1cccc(OCc2ccc(C(=O)[O-])o2)c1C ZINC000004227021 179172050 /nfs/dbraw/zinc/17/20/50/179172050.db2.gz ZYYZIANEANBWQS-UHFFFAOYSA-N -1 0 246.262 3.174 50 0 BGAARM COc1cc2[nH]c(C(=O)[O-])cc2c2ccccc12 ZINC000004234967 175018375 /nfs/dbraw/zinc/01/83/75/175018375.db2.gz SCZZYRMPWQXTEF-UHFFFAOYSA-N -1 0 241.246 3.028 50 0 BGAARM O=C([O-])c1cc2ccc(Cl)cc2s1 ZINC000004235095 342744917 /nfs/dbraw/zinc/74/49/17/342744917.db2.gz AVAGKGZNBMZOLD-UHFFFAOYSA-N -1 0 212.657 3.253 50 0 BGAARM Cc1[nH]c(-c2ccc(C)c(C)c2)cc1C(=O)[O-] ZINC000004235117 178319635 /nfs/dbraw/zinc/31/96/35/178319635.db2.gz IVINRFQYECVDKJ-UHFFFAOYSA-N -1 0 229.279 3.305 50 0 BGAARM CCCCOc1cccc2[nH]c(C(=O)[O-])cc21 ZINC000004237849 342745054 /nfs/dbraw/zinc/74/50/54/342745054.db2.gz BCQCVFOFRLIQMC-UHFFFAOYSA-N -1 0 233.267 3.045 50 0 BGAARM O=C([O-])c1cc2c(cc(F)c3ccccc23)[nH]1 ZINC000004237888 342745169 /nfs/dbraw/zinc/74/51/69/342745169.db2.gz ASYRCFYXAMRDOK-UHFFFAOYSA-N -1 0 229.210 3.158 50 0 BGAARM Cc1ccc(NC2(C(=O)[O-])CCCCC2)cc1 ZINC000004244961 384050062 /nfs/dbraw/zinc/05/00/62/384050062.db2.gz WNPOXUUMAKKPEQ-UHFFFAOYSA-N -1 0 233.311 3.194 50 0 BGAARM O=C([O-])c1ccc(Cl)c(N2CCCCC2)c1 ZINC000004245089 132316469 /nfs/dbraw/zinc/31/64/69/132316469.db2.gz AWYXXFCRDASAPP-UHFFFAOYSA-N -1 0 239.702 3.029 50 0 BGAARM Cc1cc(C(=O)CCCC(=O)[O-])ccc1Cl ZINC000004253071 342745663 /nfs/dbraw/zinc/74/56/63/342745663.db2.gz RTMFPIZZDYOKFI-UHFFFAOYSA-N -1 0 240.686 3.086 50 0 BGAARM O=C([O-])c1csc2ccc(Cl)cc12 ZINC000004277226 397923606 /nfs/dbraw/zinc/92/36/06/397923606.db2.gz RTBIQTHYQWFIAO-UHFFFAOYSA-N -1 0 212.657 3.253 50 0 BGAARM Cc1ccc(-c2ccc(/C=C/C(=O)[O-])o2)cc1 ZINC000004294431 178323196 /nfs/dbraw/zinc/32/31/96/178323196.db2.gz DUQNFABHEUFXNB-VQHVLOKHSA-N -1 0 228.247 3.353 50 0 BGAARM O=Cc1cc(Cc2ccccc2)cc(Cl)c1[O-] ZINC000004299101 384052862 /nfs/dbraw/zinc/05/28/62/384052862.db2.gz PKKNTHQQKYUBNR-UHFFFAOYSA-N -1 0 246.693 3.449 50 0 BGAARM O=C([O-])c1ccccc1-c1ccccc1F ZINC000004299204 342746612 /nfs/dbraw/zinc/74/66/12/342746612.db2.gz DGATZLSIKFSWDE-UHFFFAOYSA-N -1 0 216.211 3.191 50 0 BGAARM O=C([O-])c1ccccc1-c1ccsc1 ZINC000004299329 342746504 /nfs/dbraw/zinc/74/65/04/342746504.db2.gz FRQNAMNFPWSQAW-UHFFFAOYSA-N -1 0 204.250 3.113 50 0 BGAARM O=C([O-])c1ccc(C23CC4CC(CC(C4)C2)C3)o1 ZINC000004343442 342746880 /nfs/dbraw/zinc/74/68/80/342746880.db2.gz SCAJVICIOWBOON-UHFFFAOYSA-N -1 0 246.306 3.446 50 0 BGAARM CCCCCSc1n[n-]c(=S)s1 ZINC000004344129 342746891 /nfs/dbraw/zinc/74/68/91/342746891.db2.gz DIUQFUZKOVCRSK-UHFFFAOYSA-N -1 0 220.388 3.109 50 0 BGAARM CC(C)(Oc1ccc(-c2ccco2)cc1)C(=O)[O-] ZINC000004350930 188332268 /nfs/dbraw/zinc/33/22/68/188332268.db2.gz FVEIRTGLVWCNCX-UHFFFAOYSA-N -1 0 246.262 3.189 50 0 BGAARM CCCn1cc(CCC(=O)[O-])c2ccccc21 ZINC000004413279 342747706 /nfs/dbraw/zinc/74/77/06/342747706.db2.gz VONMJGMSMLSSRV-UHFFFAOYSA-N -1 0 231.295 3.069 50 0 BGAARM O=C([O-])c1ccccc1NCc1cccs1 ZINC000004413489 342747641 /nfs/dbraw/zinc/74/76/41/342747641.db2.gz UUIJUBCAVOCEEX-UHFFFAOYSA-N -1 0 233.292 3.058 50 0 BGAARM O=C([O-])c1cc2cc(Cl)sc2s1 ZINC000004419459 342747705 /nfs/dbraw/zinc/74/77/05/342747705.db2.gz WXPILHLZFYPVNX-UHFFFAOYSA-N -1 0 218.686 3.314 50 0 BGAARM Cc1cc2sc(C(=O)[O-])c(C)c2s1 ZINC000004419529 178306499 /nfs/dbraw/zinc/30/64/99/178306499.db2.gz KULOAKQHYDHQBM-UHFFFAOYSA-N -1 0 212.295 3.278 50 0 BGAARM C[C@H](C(=O)[O-])c1cc2ccccc2s1 ZINC000004419552 342747743 /nfs/dbraw/zinc/74/77/43/342747743.db2.gz RANJWIAFZYZATR-ZETCQYMHSA-N -1 0 206.266 3.089 50 0 BGAARM O=C([O-])c1c2c(ccc1Cl)[nH]c1c2CCCC1 ZINC000004436895 342747904 /nfs/dbraw/zinc/74/79/04/342747904.db2.gz WHJNHQIRTCMGSB-UHFFFAOYSA-N -1 0 249.697 3.398 50 0 BGAARM CC(C)(C)C#CC1(C(=O)[O-])C(C)(C)C1(C)C ZINC000004437140 398293744 /nfs/dbraw/zinc/29/37/44/398293744.db2.gz LQKPHWXMUQOTAK-UHFFFAOYSA-N -1 0 222.328 3.173 50 0 BGAARM O=C([O-])/C(=C/c1ccsc1)c1ccccc1 ZINC000004472609 383854205 /nfs/dbraw/zinc/85/42/05/383854205.db2.gz BOEJWSYPVRZTFQ-XYOKQWHBSA-N -1 0 230.288 3.373 50 0 BGAARM Cc1c2ccc(C)c(C)c2oc1C(=O)[O-] ZINC000004502658 178939288 /nfs/dbraw/zinc/93/92/88/178939288.db2.gz VJKQDNBXKMSKKV-UHFFFAOYSA-N -1 0 204.225 3.056 50 0 BGAARM Cc1[nH]c2ccc(C(=O)[O-])cc2c1C(C)C ZINC000004512586 342748573 /nfs/dbraw/zinc/74/85/73/342748573.db2.gz QOPARHPUTLSSSS-UHFFFAOYSA-N -1 0 217.268 3.298 50 0 BGAARM O=C([O-])c1ccc(OCc2ccccc2F)cc1 ZINC000004513156 342748604 /nfs/dbraw/zinc/74/86/04/342748604.db2.gz PKWADBDVMROXJB-UHFFFAOYSA-N -1 0 246.237 3.103 50 0 BGAARM COc1c(Cl)cc(Cl)cc1/C=C/C(=O)[O-] ZINC000004525670 342748624 /nfs/dbraw/zinc/74/86/24/342748624.db2.gz BQHXVXJTRICRMS-NSCUHMNNSA-N -1 0 247.077 3.100 50 0 BGAARM COc1ccc(/C=C(\C)CC(=O)[O-])cc1Cl ZINC000004528961 175046784 /nfs/dbraw/zinc/04/67/84/175046784.db2.gz SZPUDPDMWWPEBF-VMPITWQZSA-N -1 0 240.686 3.227 50 0 BGAARM O=C([O-])/C=C1\CCC[C@@H](Cc2ccccc2)C1 ZINC000004528987 384067601 /nfs/dbraw/zinc/06/76/01/384067601.db2.gz MBKVPZSREIQTCY-UQRISPGASA-N -1 0 230.307 3.430 50 0 BGAARM C/C(=C\c1ccc(Cl)cc1)CC(=O)[O-] ZINC000004529007 342748485 /nfs/dbraw/zinc/74/84/85/342748485.db2.gz OSMVNAOFLIHUOS-SOFGYWHQSA-N -1 0 210.660 3.218 50 0 BGAARM O=C(C=C([O-])c1ccccc1)c1ccccc1 ZINC000004530702 384067804 /nfs/dbraw/zinc/06/78/04/384067804.db2.gz NZZIMKJIVMHWJC-UHFFFAOYSA-N -1 0 224.259 3.142 50 0 aggregator,in-vitro BGAARM O=C([O-])/C=C\c1ccc2c3c(cccc31)CC2 ZINC000004532450 384989544 /nfs/dbraw/zinc/98/95/44/384989544.db2.gz VBEHYAOTPXXHLK-HJWRWDBZSA-N -1 0 224.259 3.036 50 0 BGAARM COc1ccc([C@@H]2CC=C/C(=C\C(=O)[O-])C2)cc1 ZINC000004543164 175181619 /nfs/dbraw/zinc/18/16/19/175181619.db2.gz XDXXCSHUNDOFKX-OCHBPSSRSA-N -1 0 244.290 3.140 50 0 BGAARM COc1ccc([C@H]2CC=C/C(=C\C(=O)[O-])C2)cc1 ZINC000004543165 188101802 /nfs/dbraw/zinc/10/18/02/188101802.db2.gz XDXXCSHUNDOFKX-NHAQELONSA-N -1 0 244.290 3.140 50 0 BGAARM Cc1ccc(-c2ccc(C(=O)[O-])c(C)n2)cc1 ZINC000004568141 178323237 /nfs/dbraw/zinc/32/32/37/178323237.db2.gz IGFOZSKLXZPYAD-UHFFFAOYSA-N -1 0 227.263 3.064 50 0 BGAARM O=C([O-])CCC[C@H]1CCc2ccccc2C1 ZINC000004578867 384069580 /nfs/dbraw/zinc/06/95/80/384069580.db2.gz DYDDNCVWKRHBAS-NSHDSACASA-N -1 0 218.296 3.046 50 0 BGAARM O=C([O-])CCC[C@@H]1CCc2ccccc2C1 ZINC000004578868 182441560 /nfs/dbraw/zinc/44/15/60/182441560.db2.gz DYDDNCVWKRHBAS-LLVKDONJSA-N -1 0 218.296 3.046 50 0 BGAARM O=C([O-])c1ccc2oc3ccccc3c2c1 ZINC000004582883 342749354 /nfs/dbraw/zinc/74/93/54/342749354.db2.gz UGKPZVGCVIWBNX-UHFFFAOYSA-N -1 0 212.204 3.284 50 0 BGAARM O=C([O-])c1ccc2c(c1)ncn2C1CCCCC1 ZINC000004638824 342749873 /nfs/dbraw/zinc/74/98/73/342749873.db2.gz VDTQDVBTYFQIPB-UHFFFAOYSA-N -1 0 244.294 3.240 50 0 BGAARM CCn1c(C)c(C(=O)[O-])cc1-c1ccccc1 ZINC000004671542 172130802 /nfs/dbraw/zinc/13/08/02/172130802.db2.gz MZWAEZCLYPDAIQ-UHFFFAOYSA-N -1 0 229.279 3.182 50 0 BGAARM Cc1c(C(C)C)c2ccccc2n1CC(=O)[O-] ZINC000004674908 491120975 /nfs/dbraw/zinc/12/09/75/491120975.db2.gz FMLGFVWYMWCWDS-UHFFFAOYSA-N -1 0 231.295 3.158 50 0 BGAARM CC(/C=C/c1c[nH]c2ccccc12)=C\C(=O)[O-] ZINC000004692944 342750591 /nfs/dbraw/zinc/75/05/91/342750591.db2.gz MYZOWPQEARTBQG-LQPGMRSMSA-N -1 0 227.263 3.212 50 0 BGAARM O=C([O-])/C(=C/c1ccccc1)Cc1ccccc1 ZINC000004701367 384078430 /nfs/dbraw/zinc/07/84/30/384078430.db2.gz KNEFRHCUYCDKRK-RVDMUPIBSA-N -1 0 238.286 3.397 50 0 in-vitro BGAARM Cc1cccc(-c2n[nH]c(=S)n2C(C)C)c1 ZINC000004723718 342751255 /nfs/dbraw/zinc/75/12/55/342751255.db2.gz FLYHPTLLYVZKST-UHFFFAOYSA-N -1 0 233.340 3.497 50 0 BGAARM CCc1c(C)c2cc(Cl)c([O-])cc2oc1=O ZINC000004749035 342751418 /nfs/dbraw/zinc/75/14/18/342751418.db2.gz UWJXDYHWZOIMHA-UHFFFAOYSA-N -1 0 238.670 3.023 50 0 BGAARM Cc1ccccc1Oc1ccccc1C(=O)[O-] ZINC000004769082 179313777 /nfs/dbraw/zinc/31/37/77/179313777.db2.gz JMFDKESIMZREMY-UHFFFAOYSA-N -1 0 228.247 3.486 50 0 BGAARM CC(/C=C/c1ccc(Cl)cc1)=C/C(=O)[O-] ZINC000004772827 191120417 /nfs/dbraw/zinc/12/04/17/191120417.db2.gz LUMSMPZBYSZBEC-BVCYWKNDSA-N -1 0 222.671 3.384 50 0 BGAARM Cc1ccc(Cl)c(C(=O)[O-])c1Cl ZINC000004775590 342752231 /nfs/dbraw/zinc/75/22/31/342752231.db2.gz AZSPVSLYCSUHIT-UHFFFAOYSA-N -1 0 205.040 3.000 50 0 BGAARM O=C([O-])COC1(Cc2ccccc2)CCCCC1 ZINC000004789110 384081298 /nfs/dbraw/zinc/08/12/98/384081298.db2.gz ZSBSKALVTOFAAS-UHFFFAOYSA-N -1 0 248.322 3.033 50 0 BGAARM CCCC/C(=C/c1ccccc1OC)C(=O)[O-] ZINC000004789515 356362534 /nfs/dbraw/zinc/36/25/34/356362534.db2.gz DJBOKRFPDDWUDF-BENRWUELSA-N -1 0 234.295 3.353 50 0 BGAARM CC[C@@](C)(CCC(=O)[O-])c1ccccc1 ZINC000004789860 171164104 /nfs/dbraw/zinc/16/41/04/171164104.db2.gz NWIRJGSAJHAWMN-ZDUSSCGKSA-N -1 0 206.285 3.219 50 0 BGAARM CC[C@](C)(CCC(=O)[O-])c1ccccc1 ZINC000004789863 346607122 /nfs/dbraw/zinc/60/71/22/346607122.db2.gz NWIRJGSAJHAWMN-CYBMUJFWSA-N -1 0 206.285 3.219 50 0 BGAARM CC(C)(C)Sc1ccsc1C(=O)[O-] ZINC000004795783 166692143 /nfs/dbraw/zinc/69/21/43/166692143.db2.gz RHXWGAKHBKBKKR-UHFFFAOYSA-N -1 0 216.327 3.337 50 0 BGAARM C[C@@H]1CC[C@H](C)[C@H](CCCCS(=O)(=O)[O-])C1 ZINC000004797151 177184200 /nfs/dbraw/zinc/18/42/00/177184200.db2.gz SMHOOPJVGBBTGZ-GRYCIOLGSA-N -1 0 248.388 3.117 50 0 BGAARM CC(C)(Oc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000004804309 259301793 /nfs/dbraw/zinc/30/17/93/259301793.db2.gz DVCPZLUILSFNDO-UHFFFAOYSA-N -1 0 249.093 3.235 50 0 BGAARM O=C([O-])C1C(c2ccccc2)=C1c1ccccc1 ZINC000004829990 342753040 /nfs/dbraw/zinc/75/30/40/342753040.db2.gz LRFRUFJNOGIAFA-UHFFFAOYSA-N -1 0 236.270 3.312 50 0 BGAARM Cc1c2cc(C)cc(Cl)c2oc1C(=O)[O-] ZINC000004842440 178061944 /nfs/dbraw/zinc/06/19/44/178061944.db2.gz LTYBKFWHZKGMEC-UHFFFAOYSA-N -1 0 224.643 3.401 50 0 BGAARM O=C([O-])c1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000004868352 342753590 /nfs/dbraw/zinc/75/35/90/342753590.db2.gz MGUVQRGVUWXOGD-UHFFFAOYSA-N -1 0 240.617 3.437 50 0 in-vitro BGAARM CC[C@H](Sc1c[nH]c2ccccc12)C(=O)[O-] ZINC000004892988 171594812 /nfs/dbraw/zinc/59/48/12/171594812.db2.gz KLZVWSGAPZREFX-JTQLQIEISA-N -1 0 235.308 3.123 50 0 BGAARM CC[C@@H](Sc1c[nH]c2ccccc12)C(=O)[O-] ZINC000004892990 342754047 /nfs/dbraw/zinc/75/40/47/342754047.db2.gz KLZVWSGAPZREFX-SNVBAGLBSA-N -1 0 235.308 3.123 50 0 BGAARM Cc1ccc(CNc2ccc(C(=O)[O-])cc2)s1 ZINC000004897210 178636601 /nfs/dbraw/zinc/63/66/01/178636601.db2.gz OSBRIKZHHXMJMT-UHFFFAOYSA-N -1 0 247.319 3.367 50 0 BGAARM Cc1ccsc1CNc1ccc(C(=O)[O-])cc1 ZINC000004897211 179550155 /nfs/dbraw/zinc/55/01/55/179550155.db2.gz PVOPXJDFVBSJES-UHFFFAOYSA-N -1 0 247.319 3.367 50 0 BGAARM CN(C(=O)c1ccccc1[S-])c1ccccc1 ZINC000004919600 172342933 /nfs/dbraw/zinc/34/29/33/172342933.db2.gz IXJTZQKWVLTXPZ-UHFFFAOYSA-N -1 0 243.331 3.252 50 0 BGAARM C[P@@](=O)([O-])Oc1cccc(Cl)c1Cl ZINC000004932751 188277028 /nfs/dbraw/zinc/27/70/28/188277028.db2.gz BDYHMBWLCZRZPL-UHFFFAOYSA-N -1 0 241.010 3.187 50 0 BGAARM Cc1ccc(CNc2ccccc2C(=O)[O-])s1 ZINC000004935125 342754697 /nfs/dbraw/zinc/75/46/97/342754697.db2.gz WSDPHIKQTZXFMK-UHFFFAOYSA-N -1 0 247.319 3.367 50 0 BGAARM O=C([O-])c1cccc(OCc2cccc(F)c2)c1 ZINC000004943981 342754803 /nfs/dbraw/zinc/75/48/03/342754803.db2.gz PBEUDJJYJYWQOV-UHFFFAOYSA-N -1 0 246.237 3.103 50 0 BGAARM CC(C)[C@@H](CC(=O)[O-])c1c[nH]c2ccccc21 ZINC000004997814 187586330 /nfs/dbraw/zinc/58/63/30/187586330.db2.gz FHQYOYXBMOXDKF-LLVKDONJSA-N -1 0 231.295 3.382 50 0 BGAARM CC(C)[C@H](CC(=O)[O-])c1c[nH]c2ccccc21 ZINC000004997815 342756357 /nfs/dbraw/zinc/75/63/57/342756357.db2.gz FHQYOYXBMOXDKF-NSHDSACASA-N -1 0 231.295 3.382 50 0 BGAARM COc1ccc(-c2sc(C(=O)[O-])cc2C)cc1 ZINC000004997888 175042989 /nfs/dbraw/zinc/04/29/89/175042989.db2.gz CDDPJEWSVUJHNJ-UHFFFAOYSA-N -1 0 248.303 3.430 50 0 BGAARM C[C@@H](CC(=O)[O-])Nc1ccc(Cl)c(Cl)c1 ZINC000005022969 342756818 /nfs/dbraw/zinc/75/68/18/342756818.db2.gz FQQKIYYXVGSHRK-LURJTMIESA-N -1 0 248.109 3.269 50 0 BGAARM CCOc1ccc(/C=C/C(=O)[O-])c2ccccc12 ZINC000005061730 343274079 /nfs/dbraw/zinc/27/40/79/343274079.db2.gz BILXRVDTNPIPNI-CSKARUKUSA-N -1 0 242.274 3.336 50 0 BGAARM Cc1cc(C)c(C(=O)CCCC(=O)[O-])c(C)c1 ZINC000005064399 384097491 /nfs/dbraw/zinc/09/74/91/384097491.db2.gz ZEMMDCNECWHBGE-UHFFFAOYSA-N -1 0 234.295 3.049 50 0 BGAARM O=C([O-])C[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000005068551 384097484 /nfs/dbraw/zinc/09/74/84/384097484.db2.gz NKBOILGAWSETPR-CQSZACIVSA-N -1 0 244.265 3.432 50 0 BGAARM O=C([O-])C[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000005068552 182476680 /nfs/dbraw/zinc/47/66/80/182476680.db2.gz NKBOILGAWSETPR-AWEZNQCLSA-N -1 0 244.265 3.432 50 0 BGAARM Cc1ccc(Nc2ccccc2C(=O)[O-])cc1 ZINC000005160660 342758994 /nfs/dbraw/zinc/75/89/94/342758994.db2.gz DEFSEYPSVLNHBM-UHFFFAOYSA-N -1 0 227.263 3.437 50 0 BGAARM O=C([O-])CCCOc1ccc2ccccc2c1 ZINC000005175414 384103505 /nfs/dbraw/zinc/10/35/05/384103505.db2.gz ROEWDSOBRSEWBI-UHFFFAOYSA-N -1 0 230.263 3.083 50 0 BGAARM C[C@@H](CC(=O)[O-])Sc1ccc(Cl)cc1 ZINC000005211284 342760340 /nfs/dbraw/zinc/76/03/40/342760340.db2.gz DSCJEDOCSCNYAI-ZETCQYMHSA-N -1 0 230.716 3.295 50 0 BGAARM C[C@H](CC(=O)[O-])Sc1ccc(Cl)cc1 ZINC000005211630 342760296 /nfs/dbraw/zinc/76/02/96/342760296.db2.gz DSCJEDOCSCNYAI-SSDOTTSWSA-N -1 0 230.716 3.295 50 0 BGAARM C/C(=C\c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000005220651 342760621 /nfs/dbraw/zinc/76/06/21/342760621.db2.gz RRFQDBWWFNMLQO-GQCTYLIASA-N -1 0 231.078 3.481 50 0 BGAARM Cc1cc2c(CC(=O)[O-])coc2cc1Cl ZINC000005267056 178278734 /nfs/dbraw/zinc/27/87/34/178278734.db2.gz OBPKNBRXTZIBGB-UHFFFAOYSA-N -1 0 224.643 3.022 50 0 BGAARM C[C@H](CC(=O)[O-])Nc1ccc(Cl)c(Cl)c1 ZINC000005276006 342761234 /nfs/dbraw/zinc/76/12/34/342761234.db2.gz FQQKIYYXVGSHRK-ZCFIWIBFSA-N -1 0 248.109 3.269 50 0 BGAARM O=C([O-])/C(=C/c1ccc(O)cc1)c1ccccc1 ZINC000005278305 384110041 /nfs/dbraw/zinc/11/00/41/384110041.db2.gz GAXUWNPJYOWVDR-GXDHUFHOSA-N -1 0 240.258 3.017 50 0 BGAARM CC(C)(CC(=O)[O-])c1ccc2c(c1)CCCC2 ZINC000005284378 342761693 /nfs/dbraw/zinc/76/16/93/342761693.db2.gz OMKAWJWAFQBLJV-UHFFFAOYSA-N -1 0 232.323 3.318 50 0 BGAARM O=C([O-])c1cc2c(c3c1CCCC3)CCCC2 ZINC000005339085 342762187 /nfs/dbraw/zinc/76/21/87/342762187.db2.gz RXYPAUUNBPXTNH-UHFFFAOYSA-N -1 0 230.307 3.142 50 0 BGAARM Cc1cc(C)c([C@@H](C)CC(=O)[O-])cc1C ZINC000005378867 177870717 /nfs/dbraw/zinc/87/07/17/177870717.db2.gz BPFRLJBHYOBGRO-NSHDSACASA-N -1 0 206.285 3.190 50 0 BGAARM Cc1cc(C)c([C@H](C)CC(=O)[O-])cc1C ZINC000005378868 177873939 /nfs/dbraw/zinc/87/39/39/177873939.db2.gz BPFRLJBHYOBGRO-LLVKDONJSA-N -1 0 206.285 3.190 50 0 BGAARM Cc1cc(C)cc(C(C)(C)CC(=O)[O-])c1 ZINC000005378998 384111420 /nfs/dbraw/zinc/11/14/20/384111420.db2.gz XYQGTMYEDMIQGB-UHFFFAOYSA-N -1 0 206.285 3.056 50 0 BGAARM Cc1cccc(Nc2ccccc2C(=O)[O-])c1 ZINC000005420064 179159224 /nfs/dbraw/zinc/15/92/24/179159224.db2.gz JODCQKTVDXZQEP-UHFFFAOYSA-N -1 0 227.263 3.437 50 0 BGAARM O=C([O-])C1(c2c(F)cccc2Cl)CCCC1 ZINC000005426428 384115579 /nfs/dbraw/zinc/11/55/79/384115579.db2.gz XFWCGCJZUQAJGP-UHFFFAOYSA-N -1 0 242.677 3.376 50 0 BGAARM O=C([O-])/C=C/c1ccc(SC(F)F)cc1 ZINC000005446684 384115543 /nfs/dbraw/zinc/11/55/43/384115543.db2.gz DSSGXNUPXGFLHD-ZZXKWVIFSA-N -1 0 230.235 3.099 50 0 BGAARM Cc1cc(C)cc(Nc2ncccc2C(=O)[O-])c1 ZINC000005448079 342764086 /nfs/dbraw/zinc/76/40/86/342764086.db2.gz IANCFWQKRODISX-UHFFFAOYSA-N -1 0 242.278 3.140 50 0 BGAARM S=c1[n-]nc(C23CC4CC(CC(C4)C2)C3)o1 ZINC000005480520 183315022 /nfs/dbraw/zinc/31/50/22/183315022.db2.gz QLRSPGHQEPSBOC-UHFFFAOYSA-N -1 0 236.340 3.200 50 0 BGAARM Cc1cc(C)c2nc(Cl)c(C(=O)[O-])cc2c1 ZINC000005488631 177886848 /nfs/dbraw/zinc/88/68/48/177886848.db2.gz GXNYWYKOVJHMJD-UHFFFAOYSA-N -1 0 235.670 3.203 50 0 BGAARM O=C([O-])c1cc(C2CCCCC2)ccc1O ZINC000005567765 182553888 /nfs/dbraw/zinc/55/38/88/182553888.db2.gz GZEPXNUXMPYSOQ-UHFFFAOYSA-N -1 0 220.268 3.138 50 0 in-vitro BGAARM Cc1cc2c(C)c(C(=O)[O-])sc2s1 ZINC000005578201 178277845 /nfs/dbraw/zinc/27/78/45/178277845.db2.gz TVXMJXUGCCPVNO-UHFFFAOYSA-N -1 0 212.295 3.278 50 0 BGAARM O=C([O-])c1ccc(-c2ccc(Cl)cc2)[nH]1 ZINC000005579698 182561090 /nfs/dbraw/zinc/56/10/90/182561090.db2.gz KIUIWIJLBPLGPN-UHFFFAOYSA-N -1 0 221.643 3.033 50 0 BGAARM O=C([O-])/C(=C/c1cccs1)c1ccccc1 ZINC000005584379 384122033 /nfs/dbraw/zinc/12/20/33/384122033.db2.gz YWTATITWHQRQBK-FMIVXFBMSA-N -1 0 230.288 3.373 50 0 BGAARM S=c1[n-]c2cc(Br)ccc2s1 ZINC000005589305 188102687 /nfs/dbraw/zinc/10/26/87/188102687.db2.gz OKHQGCOLOHTELL-UHFFFAOYSA-N -1 0 246.154 3.348 50 0 BGAARM CCOC(=O)c1sc(=S)sc1[S-] ZINC000005598515 170310348 /nfs/dbraw/zinc/31/03/48/170310348.db2.gz VXCYDSPJGRADOV-UHFFFAOYSA-N -1 0 238.380 3.004 50 0 BGAARM O=C([O-])CCOc1ccccc1-c1ccccc1 ZINC000005604567 182449842 /nfs/dbraw/zinc/44/98/42/182449842.db2.gz UBDJEOVEHGGMOE-UHFFFAOYSA-N -1 0 242.274 3.207 50 0 BGAARM CC(/C=C\c1ccc(Cl)cc1)=C/C(=O)[O-] ZINC000005663341 384801958 /nfs/dbraw/zinc/80/19/58/384801958.db2.gz LUMSMPZBYSZBEC-FUOWLQLWSA-N -1 0 222.671 3.384 50 0 BGAARM Cc1ccc(-n2c(=S)[n-]nc2C2CC2)c(C)c1 ZINC000005687720 178346376 /nfs/dbraw/zinc/34/63/76/178346376.db2.gz JGAPHJWUAOUHNU-UHFFFAOYSA-N -1 0 245.351 3.424 50 0 BGAARM Cc1ccc(C)c(-n2c(=S)[n-]nc2C2CC2)c1 ZINC000005687732 385000967 /nfs/dbraw/zinc/00/09/67/385000967.db2.gz ZRIYPHUNCZZHJA-UHFFFAOYSA-N -1 0 245.351 3.424 50 0 BGAARM S=c1[n-]c2cc(Cl)cc(Cl)c2o1 ZINC000005730956 342769092 /nfs/dbraw/zinc/76/90/92/342769092.db2.gz MSZMZTZSFPXXAC-UHFFFAOYSA-N -1 0 220.080 3.423 50 0 BGAARM Cc1cc(C)c(C)c(C(=O)CCCC(=O)[O-])c1C ZINC000005749648 384126592 /nfs/dbraw/zinc/12/65/92/384126592.db2.gz CMBHNGBICHGXPR-UHFFFAOYSA-N -1 0 248.322 3.358 50 0 BGAARM O=C([O-])Cc1ccc(-c2ccc(F)cc2)cc1 ZINC000005763397 384130195 /nfs/dbraw/zinc/13/01/95/384130195.db2.gz HQQLXERSPFVWEW-UHFFFAOYSA-N -1 0 230.238 3.120 50 0 BGAARM O=C([O-])C[C@@H](c1cccc(Cl)c1)n1cccc1 ZINC000005764026 182475978 /nfs/dbraw/zinc/47/59/78/182475978.db2.gz VPPORQUVYWUVCY-LBPRGKRZSA-N -1 0 249.697 3.206 50 0 BGAARM O=C([O-])C[C@H](C1CCCCC1)n1cccc1 ZINC000005764032 384130190 /nfs/dbraw/zinc/13/01/90/384130190.db2.gz MIDDKVUHRANSGU-GFCCVEGCSA-N -1 0 221.300 3.084 50 0 BGAARM O=C([O-])C[C@@H](C1CCCCC1)n1cccc1 ZINC000005764037 384130709 /nfs/dbraw/zinc/13/07/09/384130709.db2.gz MIDDKVUHRANSGU-LBPRGKRZSA-N -1 0 221.300 3.084 50 0 BGAARM O=C([O-])C[C@H](c1cccc(Cl)c1)n1cccc1 ZINC000005764040 384129191 /nfs/dbraw/zinc/12/91/91/384129191.db2.gz VPPORQUVYWUVCY-GFCCVEGCSA-N -1 0 249.697 3.206 50 0 BGAARM O=C([O-])Cc1ccccc1-c1ccc(F)cc1 ZINC000005764119 384130345 /nfs/dbraw/zinc/13/03/45/384130345.db2.gz OEXCPMVXXPJZES-UHFFFAOYSA-N -1 0 230.238 3.120 50 0 BGAARM Cc1onc(-c2ccc(Cl)s2)c1C(=O)[O-] ZINC000005764984 537858078 /nfs/dbraw/zinc/85/80/78/537858078.db2.gz WWFRJIAXONKBSK-UHFFFAOYSA-N -1 0 243.671 3.063 50 0 BGAARM CC1(C)[C@@H](/C=C(\Cl)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000005765621 342769784 /nfs/dbraw/zinc/76/97/84/342769784.db2.gz SPVZAYWHHVLPBN-WREUKLMHSA-N -1 0 242.624 3.028 50 0 in-vitro BGAARM CC(=C\C(=O)[O-])/C=C\c1c[nH]c2ccccc12 ZINC000005823244 583202343 /nfs/dbraw/zinc/20/23/43/583202343.db2.gz MYZOWPQEARTBQG-VAAURPRASA-N -1 0 227.263 3.212 50 0 BGAARM CC(C)(C)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000005831569 188157787 /nfs/dbraw/zinc/15/77/87/188157787.db2.gz QFSPZKLJQZSLQU-TWGQIWQCSA-N -1 0 204.269 3.082 50 0 BGAARM CCC[C@@H]1CCc2sc(C(=O)[O-])cc2C1 ZINC000005854621 384135258 /nfs/dbraw/zinc/13/52/58/384135258.db2.gz MEDWTNRKBDWLPG-MRVPVSSYSA-N -1 0 224.325 3.351 50 0 BGAARM CCC[C@H]1CCc2sc(C(=O)[O-])cc2C1 ZINC000005854742 342770829 /nfs/dbraw/zinc/77/08/29/342770829.db2.gz MEDWTNRKBDWLPG-QMMMGPOBSA-N -1 0 224.325 3.351 50 0 BGAARM CCn1c(=S)[nH]nc1[C@@H](C)Oc1ccccc1 ZINC000005909239 384137284 /nfs/dbraw/zinc/13/72/84/384137284.db2.gz IQQLIRYLDUFNFD-SECBINFHSA-N -1 0 249.339 3.101 50 0 BGAARM CCn1c(=S)[nH]nc1[C@H](C)Oc1ccccc1 ZINC000005909247 384138295 /nfs/dbraw/zinc/13/82/95/384138295.db2.gz IQQLIRYLDUFNFD-VIFPVBQESA-N -1 0 249.339 3.101 50 0 BGAARM O=c1cc(-c2ccccc2)oc2cc([O-])ccc12 ZINC000005934541 342771907 /nfs/dbraw/zinc/77/19/07/342771907.db2.gz MQGPSCMMNJKMHQ-UHFFFAOYSA-N -1 0 238.242 3.166 50 0 biogenic,in-vivo BGAARM Cc1cccc(Oc2ccc(C(=O)[O-])cc2)c1 ZINC000005942977 179175573 /nfs/dbraw/zinc/17/55/73/179175573.db2.gz XBZMSARMROSBTE-UHFFFAOYSA-N -1 0 228.247 3.486 50 0 BGAARM O=C([O-])c1ccnc(SCc2ccccc2)c1 ZINC000005947174 342771924 /nfs/dbraw/zinc/77/19/24/342771924.db2.gz NYKDXIPQSUIQNT-UHFFFAOYSA-N -1 0 245.303 3.072 50 0 BGAARM O=C([O-])c1cc(-c2ccsc2)cs1 ZINC000005949535 182550848 /nfs/dbraw/zinc/55/08/48/182550848.db2.gz HGHYTBNILVRXNZ-UHFFFAOYSA-N -1 0 210.279 3.175 50 0 BGAARM CC[C@H](Oc1cccc2ccccc21)C(=O)[O-] ZINC000005953880 342772099 /nfs/dbraw/zinc/77/20/99/342772099.db2.gz XSGCTWMYGZDHFS-LBPRGKRZSA-N -1 0 230.263 3.082 50 0 BGAARM CC[C@@H](Oc1cccc2ccccc21)C(=O)[O-] ZINC000005954021 342772009 /nfs/dbraw/zinc/77/20/09/342772009.db2.gz XSGCTWMYGZDHFS-GFCCVEGCSA-N -1 0 230.263 3.082 50 0 BGAARM Cc1c2cc(C)c(C)cc2oc1C(=O)[O-] ZINC000005958197 178307344 /nfs/dbraw/zinc/30/73/44/178307344.db2.gz VRTTTXHRPSGHSZ-UHFFFAOYSA-N -1 0 204.225 3.056 50 0 BGAARM CCc1n[nH]c(=S)n1C1CCCCC1 ZINC000005962069 386752034 /nfs/dbraw/zinc/75/20/34/386752034.db2.gz RQXBJPIDRLDISN-UHFFFAOYSA-N -1 0 211.334 3.008 50 0 BGAARM O=C([O-])c1ccc(OCc2ccc(F)cc2)cc1 ZINC000005996929 342772485 /nfs/dbraw/zinc/77/24/85/342772485.db2.gz RXXGPRFAVTVMKY-UHFFFAOYSA-N -1 0 246.237 3.103 50 0 BGAARM Cc1ccc(C(C)C)c(OC(C)(C)C(=O)[O-])c1 ZINC000006008965 384141636 /nfs/dbraw/zinc/14/16/36/384141636.db2.gz KUVBUGMRSPUHHK-UHFFFAOYSA-N -1 0 236.311 3.360 50 0 BGAARM C[C@@H](Cc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000006020991 175770778 /nfs/dbraw/zinc/77/07/78/175770778.db2.gz DWZYELZGJMFEMJ-JTQLQIEISA-N -1 0 220.312 3.247 50 0 BGAARM C[C@H](Cc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000006036810 342772709 /nfs/dbraw/zinc/77/27/09/342772709.db2.gz DWZYELZGJMFEMJ-SNVBAGLBSA-N -1 0 220.312 3.247 50 0 BGAARM CC[C@H](Oc1cc(C)c(Cl)c(C)c1)C(=O)[O-] ZINC000006048911 342773071 /nfs/dbraw/zinc/77/30/71/342773071.db2.gz SBQVJRJGCJTRLY-JTQLQIEISA-N -1 0 242.702 3.199 50 0 BGAARM CC[C@H](Oc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000006048916 342772930 /nfs/dbraw/zinc/77/29/30/342772930.db2.gz MXEFDHYPAAYIAX-QMMMGPOBSA-N -1 0 249.093 3.235 50 0 BGAARM CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000006048922 342773019 /nfs/dbraw/zinc/77/30/19/342773019.db2.gz WUEFGQXWIWCINJ-LBPRGKRZSA-N -1 0 236.311 3.226 50 0 BGAARM CC[C@H](Oc1ccc(C(C)C)cc1)C(=O)[O-] ZINC000006048924 342773126 /nfs/dbraw/zinc/77/31/26/342773126.db2.gz QRUIYXUMYBGOGG-LBPRGKRZSA-N -1 0 222.284 3.052 50 0 BGAARM CC[C@H](Oc1ccccc1C(C)C)C(=O)[O-] ZINC000006048938 171591590 /nfs/dbraw/zinc/59/15/90/171591590.db2.gz ZOTASNZXNMVFMO-NSHDSACASA-N -1 0 222.284 3.052 50 0 BGAARM O=C([O-])/C=C\c1ccc(Cl)c(Cl)c1 ZINC000006092108 182415165 /nfs/dbraw/zinc/41/51/65/182415165.db2.gz RRLUFPHCTSFKNR-RQOWECAXSA-N -1 0 217.051 3.091 50 0 BGAARM O=C([O-])c1ccc(F)c(Oc2ccccc2)c1 ZINC000006116036 342773738 /nfs/dbraw/zinc/77/37/38/342773738.db2.gz VLXNXMTVRWIUJZ-UHFFFAOYSA-N -1 0 232.210 3.316 50 0 BGAARM O=C([O-])/C=C\c1c(Cl)cccc1Cl ZINC000006132387 182415032 /nfs/dbraw/zinc/41/50/32/182415032.db2.gz OIPVGRCXMFBNAN-PLNGDYQASA-N -1 0 217.051 3.091 50 0 BGAARM O=C([O-])CCCc1ccc(Cl)c(Cl)c1 ZINC000006220026 182441920 /nfs/dbraw/zinc/44/19/20/182441920.db2.gz DCRORIUPKZBSCY-UHFFFAOYSA-N -1 0 233.094 3.401 50 0 BGAARM O=C([O-])c1cccnc1Oc1ccccc1Cl ZINC000006222470 342775289 /nfs/dbraw/zinc/77/52/89/342775289.db2.gz AXCNOORULFLCJO-UHFFFAOYSA-N -1 0 249.653 3.226 50 0 BGAARM CCCc1nc2ccccc2n1[C@@H](CC)C(=O)[O-] ZINC000006294313 342775772 /nfs/dbraw/zinc/77/57/72/342775772.db2.gz QDBNBNZBMVJKRE-NSHDSACASA-N -1 0 246.310 3.025 50 0 BGAARM CCCc1nc2ccccc2n1[C@H](CC)C(=O)[O-] ZINC000006294314 342776123 /nfs/dbraw/zinc/77/61/23/342776123.db2.gz QDBNBNZBMVJKRE-LLVKDONJSA-N -1 0 246.310 3.025 50 0 BGAARM Cc1ccc(NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000006389494 342777216 /nfs/dbraw/zinc/77/72/16/342777216.db2.gz TYDIBOXWAREKTQ-UHFFFAOYSA-N -1 0 241.290 3.305 50 0 BGAARM C[C@@H]1C[C@H](NC(=S)[S-])CC(C)(C)C1 ZINC000006437954 176419735 /nfs/dbraw/zinc/41/97/35/176419735.db2.gz GNNUYEDIHBJJLE-SFYZADRCSA-N -1 0 217.403 3.006 50 0 BGAARM C[C@@H]1C[C@@H](NC(=S)[S-])CC(C)(C)C1 ZINC000006438030 356367950 /nfs/dbraw/zinc/36/79/50/356367950.db2.gz GNNUYEDIHBJJLE-HTQZYQBOSA-N -1 0 217.403 3.006 50 0 BGAARM C[C@H]1C[C@H](NC(=S)[S-])CC(C)(C)C1 ZINC000006481472 177368209 /nfs/dbraw/zinc/36/82/09/177368209.db2.gz GNNUYEDIHBJJLE-YUMQZZPRSA-N -1 0 217.403 3.006 50 0 BGAARM C[C@H]1C[C@@H](NC(=S)[S-])CC(C)(C)C1 ZINC000006481571 177331558 /nfs/dbraw/zinc/33/15/58/177331558.db2.gz GNNUYEDIHBJJLE-JGVFFNPUSA-N -1 0 217.403 3.006 50 0 BGAARM COc1ccc(Cl)cc1-c1n[n-]c(=S)o1 ZINC000006492170 175119392 /nfs/dbraw/zinc/11/93/92/175119392.db2.gz FOBNNSSNVSMNMG-UHFFFAOYSA-N -1 0 242.687 3.061 50 0 BGAARM Cc1ccc(-n2[n-]c(=S)sc2=S)cc1 ZINC000006556838 178348346 /nfs/dbraw/zinc/34/83/46/178348346.db2.gz JRIZRBUYWMWWCM-UHFFFAOYSA-N -1 0 240.378 3.260 50 0 BGAARM Cc1cc2[nH]c(C(=O)[O-])cc2c2ccccc12 ZINC000006658219 384160576 /nfs/dbraw/zinc/16/05/76/384160576.db2.gz RDLGRUWIAZIABN-UHFFFAOYSA-N -1 0 225.247 3.328 50 0 BGAARM CC(C)Cc1ccc2cc(C(=O)[O-])[nH]c2c1 ZINC000006658307 187248304 /nfs/dbraw/zinc/24/83/04/187248304.db2.gz DDMDARSEWSOLBQ-UHFFFAOYSA-N -1 0 217.268 3.065 50 0 BGAARM O=C([O-])CCCSc1c[nH]c2ccccc12 ZINC000006659881 384163704 /nfs/dbraw/zinc/16/37/04/384163704.db2.gz NQJFDFYPIHKGRV-UHFFFAOYSA-N -1 0 235.308 3.125 50 0 BGAARM CC[C@@H](C)c1ccccc1NC(=O)CCC(=O)[O-] ZINC000006698695 384162989 /nfs/dbraw/zinc/16/29/89/384162989.db2.gz MTNBRQWBDIOLAR-SNVBAGLBSA-N -1 0 249.310 3.003 50 0 BGAARM CC[C@H](C)c1ccccc1NC(=O)CCC(=O)[O-] ZINC000006698696 171412390 /nfs/dbraw/zinc/41/23/90/171412390.db2.gz MTNBRQWBDIOLAR-JTQLQIEISA-N -1 0 249.310 3.003 50 0 BGAARM Cc1ccsc1CNc1ccccc1C(=O)[O-] ZINC000006700995 342781208 /nfs/dbraw/zinc/78/12/08/342781208.db2.gz ZYWXNFBCJQXAQB-UHFFFAOYSA-N -1 0 247.319 3.367 50 0 BGAARM CCC(CC)C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000006702174 168341112 /nfs/dbraw/zinc/34/11/12/168341112.db2.gz WALFTDUXXOUBEU-UHFFFAOYSA-N -1 0 249.310 3.068 50 0 BGAARM CCc1sc(C)nc1-c1ccc(C(=O)[O-])cc1 ZINC000006703842 172129111 /nfs/dbraw/zinc/12/91/11/172129111.db2.gz UYTYAJUOCGXJQA-UHFFFAOYSA-N -1 0 247.319 3.379 50 0 BGAARM CCCCc1nc2ccccc2n1[C@@H](C)C(=O)[O-] ZINC000006721110 169027131 /nfs/dbraw/zinc/02/71/31/169027131.db2.gz LOBBYRADWOPOQD-JTQLQIEISA-N -1 0 246.310 3.025 50 0 BGAARM CCCCc1nc2ccccc2n1[C@H](C)C(=O)[O-] ZINC000006721111 169027055 /nfs/dbraw/zinc/02/70/55/169027055.db2.gz LOBBYRADWOPOQD-SNVBAGLBSA-N -1 0 246.310 3.025 50 0 BGAARM Cc1ccc(Nc2c(N)cccc2C(=O)[O-])cc1 ZINC000006733687 342781750 /nfs/dbraw/zinc/78/17/50/342781750.db2.gz GTTBSDNXVFGONG-UHFFFAOYSA-N -1 0 242.278 3.019 50 0 BGAARM CCn1cc(CCCC(=O)[O-])c2ccccc21 ZINC000006751204 172159365 /nfs/dbraw/zinc/15/93/65/172159365.db2.gz YKFJXRVIOCTMPU-UHFFFAOYSA-N -1 0 231.295 3.069 50 0 BGAARM Cc1ccccc1-n1ncc(C(=O)[O-])c1C(C)C ZINC000006775490 179241950 /nfs/dbraw/zinc/24/19/50/179241950.db2.gz PWPRDDCBAKOHGN-UHFFFAOYSA-N -1 0 244.294 3.002 50 0 BGAARM Cc1ccc(-n2ncc(C(=O)[O-])c2C(C)C)cc1 ZINC000006775547 178349421 /nfs/dbraw/zinc/34/94/21/178349421.db2.gz VWUWIEZEBLTGHG-UHFFFAOYSA-N -1 0 244.294 3.002 50 0 BGAARM C[C@H](SCc1ccc(Cl)cc1)C(=O)[O-] ZINC000006794571 177027819 /nfs/dbraw/zinc/02/78/19/177027819.db2.gz KUNWCLBBXUZVJX-ZETCQYMHSA-N -1 0 230.716 3.046 50 0 BGAARM C[C@@H](SCc1ccc(Cl)cc1)C(=O)[O-] ZINC000006795371 176009133 /nfs/dbraw/zinc/00/91/33/176009133.db2.gz KUNWCLBBXUZVJX-SSDOTTSWSA-N -1 0 230.716 3.046 50 0 BGAARM CC(C)(C)c1ccc(-c2cc(C(=O)[O-])n[nH]2)cc1 ZINC000006832366 388651793 /nfs/dbraw/zinc/65/17/93/388651793.db2.gz YKSQTHUPPONYBR-UHFFFAOYSA-N -1 0 244.294 3.072 50 0 BGAARM CC[C@@H](C)c1ccc(-c2cc(C(=O)[O-])n[nH]2)cc1 ZINC000006848575 388651726 /nfs/dbraw/zinc/65/17/26/388651726.db2.gz UBLBQOPIYCSKDZ-SECBINFHSA-N -1 0 244.294 3.288 50 0 BGAARM CC[C@H](C)c1ccc(-c2cc(C(=O)[O-])n[nH]2)cc1 ZINC000006848692 388651516 /nfs/dbraw/zinc/65/15/16/388651516.db2.gz UBLBQOPIYCSKDZ-VIFPVBQESA-N -1 0 244.294 3.288 50 0 BGAARM CC(C)c1ccc2occ(CC(=O)[O-])c2c1 ZINC000007009702 167629455 /nfs/dbraw/zinc/62/94/55/167629455.db2.gz ULBBABAHHVTBKT-UHFFFAOYSA-N -1 0 218.252 3.183 50 0 BGAARM CCc1ccc(C(C)(C)C)cc1C(=O)[O-] ZINC000007023235 342787480 /nfs/dbraw/zinc/78/74/80/342787480.db2.gz BFPBZSHCAVMCNT-UHFFFAOYSA-N -1 0 206.285 3.245 50 0 BGAARM CC(C)(C)c1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000007023338 342787452 /nfs/dbraw/zinc/78/74/52/342787452.db2.gz OHAKGGAAZZPXLJ-UHFFFAOYSA-N -1 0 220.312 3.346 50 0 BGAARM Cc1cc(=O)n(-c2c(Cl)cccc2Cl)[n-]1 ZINC000007158894 168134608 /nfs/dbraw/zinc/13/46/08/168134608.db2.gz AIJYJGUZVLQRQQ-UHFFFAOYSA-N -1 0 243.093 3.106 50 0 BGAARM CCCCSc1ccccc1C(=O)[O-] ZINC000007262012 342790675 /nfs/dbraw/zinc/79/06/75/342790675.db2.gz XBAKLNIZALFPMK-UHFFFAOYSA-N -1 0 210.298 3.277 50 0 BGAARM CC(C)c1nc2ccccc2n1CCCC(=O)[O-] ZINC000007467039 342791476 /nfs/dbraw/zinc/79/14/76/342791476.db2.gz HOROAWFPYVLWPM-UHFFFAOYSA-N -1 0 246.310 3.025 50 0 BGAARM O=C([O-])c1ccccc1OCc1cccc(F)c1 ZINC000007603964 342792289 /nfs/dbraw/zinc/79/22/89/342792289.db2.gz YVCZMWYFCOWBIP-UHFFFAOYSA-N -1 0 246.237 3.103 50 0 BGAARM O=C([O-])c1ccccc1OCc1ccccc1F ZINC000007603993 182582328 /nfs/dbraw/zinc/58/23/28/182582328.db2.gz TWXOLWSATVVQRE-UHFFFAOYSA-N -1 0 246.237 3.103 50 0 BGAARM O=C([O-])c1ccccc1SCc1ccco1 ZINC000007779463 187759749 /nfs/dbraw/zinc/75/97/49/187759749.db2.gz MFGQQJWRQXYPIX-UHFFFAOYSA-N -1 0 234.276 3.270 50 0 BGAARM CCCn1c(C)c(C(=O)[O-])c2cc(OC)ccc21 ZINC000008026708 342795796 /nfs/dbraw/zinc/79/57/96/342795796.db2.gz GTRKZYWTBFQHCT-UHFFFAOYSA-N -1 0 247.294 3.067 50 0 BGAARM O=C([O-])c1occc1CSc1ccccc1 ZINC000008231194 342797117 /nfs/dbraw/zinc/79/71/17/342797117.db2.gz YCGOMTXSMKAZBN-UHFFFAOYSA-N -1 0 234.276 3.270 50 0 BGAARM O=C([O-])c1ccc(CSc2ccccc2)o1 ZINC000008381477 182565723 /nfs/dbraw/zinc/56/57/23/182565723.db2.gz VCYCOVZXZLKXFK-UHFFFAOYSA-N -1 0 234.276 3.270 50 0 BGAARM O=C([O-])Cc1coc2c1ccc1ccccc21 ZINC000008520490 384204085 /nfs/dbraw/zinc/20/40/85/384204085.db2.gz QWABHAOIDUZYRA-UHFFFAOYSA-N -1 0 226.231 3.213 50 0 BGAARM COc1cccc([C@H](C)CCCC(=O)[O-])c1 ZINC000008575873 175292597 /nfs/dbraw/zinc/29/25/97/175292597.db2.gz UQQMLSAFYBPMFC-SNVBAGLBSA-N -1 0 222.284 3.054 50 0 BGAARM C[C@@H](Oc1ccccc1-c1ccccc1)C(=O)[O-] ZINC000008579292 176005286 /nfs/dbraw/zinc/00/52/86/176005286.db2.gz LHACJRMZSJGCFY-LLVKDONJSA-N -1 0 242.274 3.206 50 0 BGAARM C[C@](Cc1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000008617018 384205399 /nfs/dbraw/zinc/20/53/99/384205399.db2.gz ZWIZUBYJTNGOPG-MRXNPFEDSA-N -1 0 240.302 3.272 50 0 BGAARM Cc1ccc2[n-]c(C(F)(F)F)cc(=O)c2c1 ZINC000008648486 342801371 /nfs/dbraw/zinc/80/13/71/342801371.db2.gz UNVMZLUVACVTDT-UHFFFAOYSA-N -1 0 227.185 3.268 50 0 BGAARM O=c1cc(-c2ccccc2)[n-]nc1-c1ccccc1 ZINC000008672859 182992086 /nfs/dbraw/zinc/99/20/86/182992086.db2.gz BFLOXPSIFJBJLT-UHFFFAOYSA-N -1 0 248.285 3.104 50 0 BGAARM Cc1cc(C(=O)[O-])nn1-c1ccc(C(C)C)cc1 ZINC000008700404 187413526 /nfs/dbraw/zinc/41/35/26/187413526.db2.gz WNSZFURQJFLTPP-UHFFFAOYSA-N -1 0 244.294 3.002 50 0 BGAARM O=C([O-])c1cccnc1Sc1ccc(F)cc1 ZINC000008716959 182584606 /nfs/dbraw/zinc/58/46/06/182584606.db2.gz NDZXVNMHZGIDOF-UHFFFAOYSA-N -1 0 249.266 3.070 50 0 BGAARM O=C([O-])c1ccc(-c2ccc(O)c(Cl)c2)cc1 ZINC000008718229 342803325 /nfs/dbraw/zinc/80/33/25/342803325.db2.gz DSZNKPIJQYKSHJ-UHFFFAOYSA-N -1 0 248.665 3.411 50 0 BGAARM O=C([O-])c1cccc(OCCc2ccccc2)c1 ZINC000008723047 342803393 /nfs/dbraw/zinc/80/33/93/342803393.db2.gz CBKMKWATRHJMKA-UHFFFAOYSA-N -1 0 242.274 3.006 50 0 BGAARM O=C([O-])c1ccccc1OCCc1ccccc1 ZINC000008723048 342803521 /nfs/dbraw/zinc/80/35/21/342803521.db2.gz FPFOIMVFHYUQTD-UHFFFAOYSA-N -1 0 242.274 3.006 50 0 BGAARM CC[C@H](Sc1ccc(Cl)cc1)C(=O)[O-] ZINC000008729630 342803877 /nfs/dbraw/zinc/80/38/77/342803877.db2.gz LMJJRALBSPNZLX-VIFPVBQESA-N -1 0 230.716 3.295 50 0 BGAARM CC[C@@H](Sc1ccc(Cl)cc1)C(=O)[O-] ZINC000008729631 342803654 /nfs/dbraw/zinc/80/36/54/342803654.db2.gz LMJJRALBSPNZLX-SECBINFHSA-N -1 0 230.716 3.295 50 0 BGAARM Cc1cccc(OCc2cccc(C(=O)[O-])c2)c1 ZINC000008729636 384212069 /nfs/dbraw/zinc/21/20/69/384212069.db2.gz YEZTWVHKOOWARQ-UHFFFAOYSA-N -1 0 242.274 3.272 50 0 BGAARM O=C([O-])c1ccc(COc2ccccc2F)cc1 ZINC000008729646 342803644 /nfs/dbraw/zinc/80/36/44/342803644.db2.gz UTKIRHQEOSDVOV-UHFFFAOYSA-N -1 0 246.237 3.103 50 0 BGAARM O=C([O-])c1cc2cccc(Cl)c2s1 ZINC000008730033 342803813 /nfs/dbraw/zinc/80/38/13/342803813.db2.gz AAXOHLXWCUMMQS-UHFFFAOYSA-N -1 0 212.657 3.253 50 0 BGAARM CC[C@H](Oc1ccc(C(C)C)cc1C)C(=O)[O-] ZINC000008730594 342803691 /nfs/dbraw/zinc/80/36/91/342803691.db2.gz GFUQBVWAMPKFHA-LBPRGKRZSA-N -1 0 236.311 3.360 50 0 BGAARM CC[C@@H](Oc1ccc(C(C)C)cc1C)C(=O)[O-] ZINC000008730595 342803734 /nfs/dbraw/zinc/80/37/34/342803734.db2.gz GFUQBVWAMPKFHA-GFCCVEGCSA-N -1 0 236.311 3.360 50 0 BGAARM CC(C)COC(=S)[N-]c1ccccc1 ZINC000008828801 167023363 /nfs/dbraw/zinc/02/33/63/167023363.db2.gz ZWNZTWZQIHCOAM-UHFFFAOYSA-N -1 0 209.314 3.056 50 0 BGAARM C[C@@H]1CSc2ccccc2[N-]C1=S ZINC000008829100 176356874 /nfs/dbraw/zinc/35/68/74/176356874.db2.gz IHRVQEMNSFVBBD-SSDOTTSWSA-N -1 0 209.339 3.168 50 0 BGAARM C[C@H]1CSc2ccccc2[N-]C1=S ZINC000008829101 384221786 /nfs/dbraw/zinc/22/17/86/384221786.db2.gz IHRVQEMNSFVBBD-ZETCQYMHSA-N -1 0 209.339 3.168 50 0 BGAARM C[C@@H]1CC(=S)[N-]c2ccccc2S1 ZINC000008830208 176050844 /nfs/dbraw/zinc/05/08/44/176050844.db2.gz GQCBKKJNNAUWNC-SSDOTTSWSA-N -1 0 209.339 3.310 50 0 BGAARM C[C@H]1CC(=S)[N-]c2ccccc2S1 ZINC000008830209 177062942 /nfs/dbraw/zinc/06/29/42/177062942.db2.gz GQCBKKJNNAUWNC-ZETCQYMHSA-N -1 0 209.339 3.310 50 0 BGAARM Cc1ccc(COc2cccc(C(=O)[O-])c2)cc1 ZINC000009237031 342810908 /nfs/dbraw/zinc/81/09/08/342810908.db2.gz DTXSRBXGJGZDTP-UHFFFAOYSA-N -1 0 242.274 3.272 50 0 BGAARM O=C([O-])c1cccc(OCc2ccccc2F)c1 ZINC000009237035 182578819 /nfs/dbraw/zinc/57/88/19/182578819.db2.gz WLWPTPPJPNCDSH-UHFFFAOYSA-N -1 0 246.237 3.103 50 0 BGAARM Cc1ccc(COc2ccccc2C(=O)[O-])cc1 ZINC000009237062 342810963 /nfs/dbraw/zinc/81/09/63/342810963.db2.gz ROMNRINEOJSXGP-UHFFFAOYSA-N -1 0 242.274 3.272 50 0 BGAARM Cc1cc(C(=O)[O-])c2c(c1)C(C)=CC(C)(C)N2 ZINC000009264530 168092723 /nfs/dbraw/zinc/09/27/23/168092723.db2.gz PJASIMMCRYPVCW-UHFFFAOYSA-N -1 0 231.295 3.301 50 0 BGAARM CC[C@@H](C)c1ccccc1O[C@@H](C)C(=O)[O-] ZINC000009877271 384264347 /nfs/dbraw/zinc/26/43/47/384264347.db2.gz RVCUDPXOVJSAHP-ZJUUUORDSA-N -1 0 222.284 3.052 50 0 BGAARM CC[C@H](C)c1ccccc1O[C@@H](C)C(=O)[O-] ZINC000009877275 384266419 /nfs/dbraw/zinc/26/64/19/384266419.db2.gz RVCUDPXOVJSAHP-UWVGGRQHSA-N -1 0 222.284 3.052 50 0 BGAARM CC[C@@H](C)c1ccccc1O[C@H](C)C(=O)[O-] ZINC000009877281 170806142 /nfs/dbraw/zinc/80/61/42/170806142.db2.gz RVCUDPXOVJSAHP-NXEZZACHSA-N -1 0 222.284 3.052 50 0 BGAARM CC[C@H](C)c1ccccc1O[C@H](C)C(=O)[O-] ZINC000009877288 384266085 /nfs/dbraw/zinc/26/60/85/384266085.db2.gz RVCUDPXOVJSAHP-VHSXEESVSA-N -1 0 222.284 3.052 50 0 BGAARM CCCc1c(C)[n-]n(-c2ccc(C)c(C)c2)c1=O ZINC000009937133 374260718 /nfs/dbraw/zinc/26/07/18/374260718.db2.gz DWCBRAPMOLBWFE-UHFFFAOYSA-N -1 0 244.338 3.043 50 0 BGAARM O=C([O-])CCc1ccc(-c2ccccc2)cc1 ZINC000009998612 182454328 /nfs/dbraw/zinc/45/43/28/182454328.db2.gz MVFHRQWYCXYYMU-UHFFFAOYSA-N -1 0 226.275 3.371 50 0 in-vitro BGAARM O=C([O-])CSc1cc2cc(Cl)ccc2o1 ZINC000010231852 384270872 /nfs/dbraw/zinc/27/08/72/384270872.db2.gz BPJBNGGOSMIBKH-UHFFFAOYSA-N -1 0 242.683 3.263 50 0 BGAARM CC[C@@H](C)c1ccccc1O[C@@H](CC)C(=O)[O-] ZINC000010473492 342836626 /nfs/dbraw/zinc/83/66/26/342836626.db2.gz XAMHWZJEVYGSKH-PWSUYJOCSA-N -1 0 236.311 3.442 50 0 BGAARM CC[C@H](C)c1ccccc1O[C@@H](CC)C(=O)[O-] ZINC000010473493 342836566 /nfs/dbraw/zinc/83/65/66/342836566.db2.gz XAMHWZJEVYGSKH-JQWIXIFHSA-N -1 0 236.311 3.442 50 0 BGAARM CC[C@@H](C)c1ccccc1O[C@H](CC)C(=O)[O-] ZINC000010473494 342836514 /nfs/dbraw/zinc/83/65/14/342836514.db2.gz XAMHWZJEVYGSKH-ZYHUDNBSSA-N -1 0 236.311 3.442 50 0 BGAARM CC[C@@H](Oc1ccccc1[C@@H](C)CC)C(=O)[O-] ZINC000010473495 384272754 /nfs/dbraw/zinc/27/27/54/384272754.db2.gz XAMHWZJEVYGSKH-CMPLNLGQSA-N -1 0 236.311 3.442 50 0 BGAARM O=C([O-])[C@@H](Cc1ccccc1)c1ccc(F)cc1 ZINC000011588748 342841844 /nfs/dbraw/zinc/84/18/44/342841844.db2.gz CFSLQCHFLZIMOF-AWEZNQCLSA-N -1 0 244.265 3.237 50 0 BGAARM O=C([O-])[C@H](Cc1ccccc1)c1ccc(F)cc1 ZINC000011588749 182526590 /nfs/dbraw/zinc/52/65/90/182526590.db2.gz CFSLQCHFLZIMOF-CQSZACIVSA-N -1 0 244.265 3.237 50 0 BGAARM Cc1ccc([C@@H](Cc2cccs2)C(=O)[O-])cc1 ZINC000011588874 384291999 /nfs/dbraw/zinc/29/19/99/384291999.db2.gz XTQSTWNLOOKIQL-CYBMUJFWSA-N -1 0 246.331 3.467 50 0 BGAARM Cc1ccc([C@H](Cc2cccs2)C(=O)[O-])cc1 ZINC000011588875 342841832 /nfs/dbraw/zinc/84/18/32/342841832.db2.gz XTQSTWNLOOKIQL-ZDUSSCGKSA-N -1 0 246.331 3.467 50 0 BGAARM O=C([O-])/C(=C/c1ccccc1)c1ccc(F)cc1 ZINC000011589187 397931288 /nfs/dbraw/zinc/93/12/88/397931288.db2.gz JWCQGTTWZCINPN-GXDHUFHOSA-N -1 0 242.249 3.451 50 0 BGAARM Cc1onc(-c2cccc(Cl)c2)c1C(=O)[O-] ZINC000011627977 342842060 /nfs/dbraw/zinc/84/20/60/342842060.db2.gz BYJATVZZRGMSPH-UHFFFAOYSA-N -1 0 237.642 3.002 50 0 BGAARM Cc1ccc(/C(=C/C(=O)[O-])C2CC2)cc1C ZINC000011628541 178351375 /nfs/dbraw/zinc/35/13/75/178351375.db2.gz VDCHXJLDLGPJOM-MDWZMJQESA-N -1 0 216.280 3.181 50 0 BGAARM O=C([O-])/C=C(/c1ccc(Cl)cc1)C1CC1 ZINC000011628545 384292776 /nfs/dbraw/zinc/29/27/76/384292776.db2.gz OKCUEVLTKLCNDT-YRNVUSSQSA-N -1 0 222.671 3.218 50 0 BGAARM Cc1cc(/C(=C/C(=O)[O-])C2CC2)ccc1F ZINC000011628548 342842096 /nfs/dbraw/zinc/84/20/96/342842096.db2.gz AIUKMQYSRQCSJU-YRNVUSSQSA-N -1 0 220.243 3.012 50 0 BGAARM Cc1ccc(/C(=C/C(=O)[O-])C(C)C)cc1 ZINC000011628556 178350404 /nfs/dbraw/zinc/35/04/04/178350404.db2.gz CANSGQWOLSWOEG-XYOKQWHBSA-N -1 0 204.269 3.119 50 0 BGAARM CC(C)/C(=C\C(=O)[O-])c1ccc(Cl)cc1 ZINC000011628564 256513982 /nfs/dbraw/zinc/51/39/82/256513982.db2.gz DVMSQCFBTRSAEZ-YRNVUSSQSA-N -1 0 224.687 3.464 50 0 BGAARM Cc1cc(/C(=C/C(=O)[O-])C(C)C)ccc1F ZINC000011628567 342842102 /nfs/dbraw/zinc/84/21/02/342842102.db2.gz KUEWLPYELGYHIG-YRNVUSSQSA-N -1 0 222.259 3.258 50 0 BGAARM COc1ccc(/C(=C/C(=O)[O-])C(C)C)cc1C ZINC000011628568 175045967 /nfs/dbraw/zinc/04/59/67/175045967.db2.gz ASMFMGLQUAJHIT-XYOKQWHBSA-N -1 0 234.295 3.128 50 0 BGAARM O=C([O-])/C=C(/c1ccccc1)c1cccc(F)c1 ZINC000011628665 384722633 /nfs/dbraw/zinc/72/26/33/384722633.db2.gz MLKAIALGOHHKGE-UVTDQMKNSA-N -1 0 242.249 3.342 50 0 BGAARM CC(C)c1ccc([C@@H](C)CC(=O)[O-])cc1 ZINC000011628742 167610142 /nfs/dbraw/zinc/61/01/42/167610142.db2.gz YGRKCYCSSBZHGL-JTQLQIEISA-N -1 0 206.285 3.388 50 0 BGAARM CC(C)c1ccc([C@H](C)CC(=O)[O-])cc1 ZINC000011628743 167616734 /nfs/dbraw/zinc/61/67/34/167616734.db2.gz YGRKCYCSSBZHGL-SNVBAGLBSA-N -1 0 206.285 3.388 50 0 BGAARM C[C@@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000011628748 175645835 /nfs/dbraw/zinc/64/58/35/175645835.db2.gz FBASDSAHBADZFQ-ZETCQYMHSA-N -1 0 243.100 3.027 50 0 BGAARM C[C@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000011628749 342842046 /nfs/dbraw/zinc/84/20/46/342842046.db2.gz FBASDSAHBADZFQ-SSDOTTSWSA-N -1 0 243.100 3.027 50 0 BGAARM Cc1ccc([C@@H](CC(=O)[O-])C2CC2)cc1C ZINC000011628814 384292332 /nfs/dbraw/zinc/29/23/32/384292332.db2.gz IIVVALJQENAYHN-ZDUSSCGKSA-N -1 0 218.296 3.272 50 0 BGAARM Cc1ccc([C@H](CC(=O)[O-])C2CC2)cc1C ZINC000011628815 342842028 /nfs/dbraw/zinc/84/20/28/342842028.db2.gz IIVVALJQENAYHN-CYBMUJFWSA-N -1 0 218.296 3.272 50 0 BGAARM O=C([O-])C[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000011628822 384722133 /nfs/dbraw/zinc/72/21/33/384722133.db2.gz KLJQXUMSSWCKCY-NSHDSACASA-N -1 0 224.687 3.308 50 0 BGAARM O=C([O-])C[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000011628823 182476081 /nfs/dbraw/zinc/47/60/81/182476081.db2.gz KLJQXUMSSWCKCY-LLVKDONJSA-N -1 0 224.687 3.308 50 0 BGAARM Cc1cc([C@@H](CC(=O)[O-])C2CC2)ccc1F ZINC000011628828 178234072 /nfs/dbraw/zinc/23/40/72/178234072.db2.gz ZETKBLLILUCYPO-NSHDSACASA-N -1 0 222.259 3.102 50 0 in-vitro BGAARM Cc1cc([C@H](CC(=O)[O-])C2CC2)ccc1F ZINC000011628829 178260116 /nfs/dbraw/zinc/26/01/16/178260116.db2.gz ZETKBLLILUCYPO-LLVKDONJSA-N -1 0 222.259 3.102 50 0 in-vitro BGAARM Cc1ccc([C@H](CC(=O)[O-])C(C)C)cc1 ZINC000011628844 178902703 /nfs/dbraw/zinc/90/27/03/178902703.db2.gz ALSCSHNVIKLLRF-GFCCVEGCSA-N -1 0 206.285 3.209 50 0 BGAARM Cc1ccc([C@@H](CC(=O)[O-])C(C)C)cc1 ZINC000011628845 384293655 /nfs/dbraw/zinc/29/36/55/384293655.db2.gz ALSCSHNVIKLLRF-LBPRGKRZSA-N -1 0 206.285 3.209 50 0 BGAARM CC(C)[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000011628858 188104729 /nfs/dbraw/zinc/10/47/29/188104729.db2.gz LHCLRXALVOLDLT-LLVKDONJSA-N -1 0 210.248 3.040 50 0 BGAARM CC(C)[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000011628859 187760338 /nfs/dbraw/zinc/76/03/38/187760338.db2.gz LHCLRXALVOLDLT-NSHDSACASA-N -1 0 210.248 3.040 50 0 BGAARM Cc1cc([C@H](CC(=O)[O-])C(C)C)ccc1F ZINC000011628862 178259859 /nfs/dbraw/zinc/25/98/59/178259859.db2.gz HFWPCJWCQKTWKM-LLVKDONJSA-N -1 0 224.275 3.348 50 0 BGAARM Cc1cc([C@@H](CC(=O)[O-])C(C)C)ccc1F ZINC000011628863 178234162 /nfs/dbraw/zinc/23/41/62/178234162.db2.gz HFWPCJWCQKTWKM-NSHDSACASA-N -1 0 224.275 3.348 50 0 BGAARM COc1ccc([C@@H](CC(=O)[O-])C(C)C)cc1C ZINC000011628864 188104836 /nfs/dbraw/zinc/10/48/36/188104836.db2.gz ZTRVZLDIIQPQQF-LBPRGKRZSA-N -1 0 236.311 3.218 50 0 BGAARM COc1ccc([C@H](CC(=O)[O-])C(C)C)cc1C ZINC000011628865 175190574 /nfs/dbraw/zinc/19/05/74/175190574.db2.gz ZTRVZLDIIQPQQF-GFCCVEGCSA-N -1 0 236.311 3.218 50 0 BGAARM O=C([O-])C[C@@H](c1ccccc1)c1cccc(F)c1 ZINC000011629033 182476086 /nfs/dbraw/zinc/47/60/86/182476086.db2.gz UTCPNWKIRGDSTK-AWEZNQCLSA-N -1 0 244.265 3.432 50 0 BGAARM O=C([O-])C[C@H](c1ccccc1)c1cccc(F)c1 ZINC000011629034 388393918 /nfs/dbraw/zinc/39/39/18/388393918.db2.gz UTCPNWKIRGDSTK-CQSZACIVSA-N -1 0 244.265 3.432 50 0 BGAARM Cc1ccc(C(C)(C)CCC(=O)[O-])cc1 ZINC000011631048 178450842 /nfs/dbraw/zinc/45/08/42/178450842.db2.gz VQEPPIPPMVKOMN-UHFFFAOYSA-N -1 0 206.285 3.137 50 0 BGAARM O=C([O-])CCCCc1ccc(Cl)cc1 ZINC000011631148 384292898 /nfs/dbraw/zinc/29/28/98/384292898.db2.gz UYYNOIVMWZJAJV-UHFFFAOYSA-N -1 0 212.676 3.137 50 0 BGAARM Cc1nc(-c2ccc(Cl)cc2)ccc1C(=O)[O-] ZINC000011730391 384296057 /nfs/dbraw/zinc/29/60/57/384296057.db2.gz QHJUIPSZPVNASK-UHFFFAOYSA-N -1 0 247.681 3.409 50 0 BGAARM Cn1c(C(=O)[O-])ccc1-c1ccc(Cl)cc1 ZINC000011730399 180614763 /nfs/dbraw/zinc/61/47/63/180614763.db2.gz SGAKOFWKZBYYON-UHFFFAOYSA-N -1 0 235.670 3.044 50 0 BGAARM Cn1c(C(=O)[O-])ccc1-c1cccc(Cl)c1 ZINC000011730402 342842705 /nfs/dbraw/zinc/84/27/05/342842705.db2.gz ZCXSTXHTVYDLPI-UHFFFAOYSA-N -1 0 235.670 3.044 50 0 BGAARM Cn1c(C(=O)[O-])ccc1-c1ccccc1Cl ZINC000011730408 344984683 /nfs/dbraw/zinc/98/46/83/344984683.db2.gz RGHPLGCUZFMHPR-UHFFFAOYSA-N -1 0 235.670 3.044 50 0 BGAARM O=C([O-])c1ccc(-c2ccccc2F)s1 ZINC000011730412 342842658 /nfs/dbraw/zinc/84/26/58/342842658.db2.gz FBPCOHCDZGNURM-UHFFFAOYSA-N -1 0 222.240 3.252 50 0 BGAARM Cc1nc(C2CCCCC2)sc1C(=O)[O-] ZINC000011760968 342843206 /nfs/dbraw/zinc/84/32/06/342843206.db2.gz JIDVCEPMJHOXPB-UHFFFAOYSA-N -1 0 225.313 3.197 50 0 BGAARM Cc1sc(-c2ccc(C)cc2)nc1C(=O)[O-] ZINC000011766527 178333531 /nfs/dbraw/zinc/33/35/31/178333531.db2.gz WISJNUKCVQXVAS-UHFFFAOYSA-N -1 0 233.292 3.125 50 0 BGAARM CC(C)c1ccc(-c2cc(C(=O)[O-])no2)cc1 ZINC000011801651 167581454 /nfs/dbraw/zinc/58/14/54/167581454.db2.gz UERITGBANMVLAF-UHFFFAOYSA-N -1 0 231.251 3.163 50 0 BGAARM Cc1ccc(O[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000011801843 178817432 /nfs/dbraw/zinc/81/74/32/178817432.db2.gz FZOJWMLWBZBDCV-CQSZACIVSA-N -1 0 242.274 3.200 50 0 BGAARM Cc1ccc(O[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000011801845 384296882 /nfs/dbraw/zinc/29/68/82/384296882.db2.gz FZOJWMLWBZBDCV-AWEZNQCLSA-N -1 0 242.274 3.200 50 0 BGAARM COc1ccc(Oc2ccc(C(=O)[O-])cc2)cc1 ZINC000011802360 175173731 /nfs/dbraw/zinc/17/37/31/175173731.db2.gz COMKNVCMWUGEPO-UHFFFAOYSA-N -1 0 244.246 3.186 50 0 BGAARM Cc1ccccc1COc1cccc(C(=O)[O-])c1 ZINC000011802369 179286131 /nfs/dbraw/zinc/28/61/31/179286131.db2.gz IGCPGAMWSFORNG-UHFFFAOYSA-N -1 0 242.274 3.272 50 0 BGAARM O=C([O-])CCCOc1cccc(Cl)c1Cl ZINC000011802460 384299322 /nfs/dbraw/zinc/29/93/22/384299322.db2.gz OUHXERSBJVBFGI-UHFFFAOYSA-N -1 0 249.093 3.237 50 0 BGAARM CC(C)[C@@H](Oc1ccc2ccccc2c1)C(=O)[O-] ZINC000011802621 384589629 /nfs/dbraw/zinc/58/96/29/384589629.db2.gz MEQBSYMBBZMCDV-CQSZACIVSA-N -1 0 244.290 3.328 50 0 BGAARM CC(C)[C@H](Oc1ccc2ccccc2c1)C(=O)[O-] ZINC000011802623 188105009 /nfs/dbraw/zinc/10/50/09/188105009.db2.gz MEQBSYMBBZMCDV-AWEZNQCLSA-N -1 0 244.290 3.328 50 0 BGAARM Cc1cccc(COc2cccc(C(=O)[O-])c2)c1 ZINC000011802632 384298816 /nfs/dbraw/zinc/29/88/16/384298816.db2.gz CPFXBFCQYVWPFP-UHFFFAOYSA-N -1 0 242.274 3.272 50 0 BGAARM Cc1ccc(C(C)(C)C)c(O[C@H](C)C(=O)[O-])c1 ZINC000011885587 384302215 /nfs/dbraw/zinc/30/22/15/384302215.db2.gz MTISOYNPHKRTKY-SNVBAGLBSA-N -1 0 236.311 3.144 50 0 BGAARM Cc1ccc(C(C)(C)C)c(O[C@@H](C)C(=O)[O-])c1 ZINC000011885590 178448386 /nfs/dbraw/zinc/44/83/86/178448386.db2.gz MTISOYNPHKRTKY-JTQLQIEISA-N -1 0 236.311 3.144 50 0 BGAARM O=C([O-])CSc1cc(Cl)cc(Cl)c1 ZINC000011886230 384302185 /nfs/dbraw/zinc/30/21/85/384302185.db2.gz UBNOVSDQXAGDCH-UHFFFAOYSA-N -1 0 237.107 3.170 50 0 BGAARM CC(C)c1cccc(OC(C)(C)C(=O)[O-])c1 ZINC000011886767 342844010 /nfs/dbraw/zinc/84/40/10/342844010.db2.gz KOCDVPPXDKOJCG-UHFFFAOYSA-N -1 0 222.284 3.052 50 0 BGAARM O=C([O-])[C@@H](Oc1ccc(F)cc1)c1ccccc1 ZINC000011887421 182505146 /nfs/dbraw/zinc/50/51/46/182505146.db2.gz IMELJGRKFXTYQJ-ZDUSSCGKSA-N -1 0 246.237 3.030 50 0 BGAARM O=C([O-])[C@H](Oc1ccc(F)cc1)c1ccccc1 ZINC000011887425 182529562 /nfs/dbraw/zinc/52/95/62/182529562.db2.gz IMELJGRKFXTYQJ-CYBMUJFWSA-N -1 0 246.237 3.030 50 0 BGAARM Cc1cccc(COc2ccc(C(=O)[O-])cc2)c1 ZINC000011890029 187414442 /nfs/dbraw/zinc/41/44/42/187414442.db2.gz FSZFKVCHUNPCCG-UHFFFAOYSA-N -1 0 242.274 3.272 50 0 BGAARM CCc1c2cc(C)c(C)cc2oc1C(=O)[O-] ZINC000011914604 346881867 /nfs/dbraw/zinc/88/18/67/346881867.db2.gz FOGBSWYVJIPHRQ-UHFFFAOYSA-N -1 0 218.252 3.310 50 0 BGAARM Cc1c2cc(Cl)cc(C)c2oc1C(=O)[O-] ZINC000011920436 342844542 /nfs/dbraw/zinc/84/45/42/342844542.db2.gz GVNSNUFGEJFBRX-UHFFFAOYSA-N -1 0 224.643 3.401 50 0 BGAARM Cc1c2cc(C)cc(C)c2oc1C(=O)[O-] ZINC000011920440 384302486 /nfs/dbraw/zinc/30/24/86/384302486.db2.gz BJULCINBQBAFTL-UHFFFAOYSA-N -1 0 204.225 3.056 50 0 BGAARM Cc1c2cc(Cl)c(C)cc2oc1C(=O)[O-] ZINC000011920593 178306545 /nfs/dbraw/zinc/30/65/45/178306545.db2.gz LNKIVCYCQBWVRU-UHFFFAOYSA-N -1 0 224.643 3.401 50 0 BGAARM O=C([O-])c1ccccc1OCc1cccs1 ZINC000011945160 342844857 /nfs/dbraw/zinc/84/48/57/342844857.db2.gz RRFAFXKXAHHJTP-UHFFFAOYSA-N -1 0 234.276 3.025 50 0 BGAARM O=C([O-])c1cccc(OCc2cccs2)c1 ZINC000011945168 342844822 /nfs/dbraw/zinc/84/48/22/342844822.db2.gz YNKDMGHVBOCDLQ-UHFFFAOYSA-N -1 0 234.276 3.025 50 0 BGAARM O=C([O-])c1ccc(OCc2cccs2)cc1 ZINC000011945173 182570344 /nfs/dbraw/zinc/57/03/44/182570344.db2.gz FNEDRZCRFCBHQV-UHFFFAOYSA-N -1 0 234.276 3.025 50 0 BGAARM CCCCCCOc1ccccc1C(=O)[O-] ZINC000011958423 342845151 /nfs/dbraw/zinc/84/51/51/342845151.db2.gz BVLVGYXYGXOSOG-UHFFFAOYSA-N -1 0 222.284 3.344 50 0 BGAARM O=C([O-])CCOc1ccc(-c2ccccc2)cc1 ZINC000011961388 384304508 /nfs/dbraw/zinc/30/45/08/384304508.db2.gz SJVZXSPIOGTQLX-UHFFFAOYSA-N -1 0 242.274 3.207 50 0 BGAARM CC(C)c1ccc(S[C@@H](C)C(=O)[O-])cc1 ZINC000011961817 359987042 /nfs/dbraw/zinc/98/70/42/359987042.db2.gz SUHUBHCLAKHITI-VIFPVBQESA-N -1 0 224.325 3.375 50 0 BGAARM CC(C)c1ccc(S[C@H](C)C(=O)[O-])cc1 ZINC000011961822 359987075 /nfs/dbraw/zinc/98/70/75/359987075.db2.gz SUHUBHCLAKHITI-SECBINFHSA-N -1 0 224.325 3.375 50 0 BGAARM CC(C)c1ccccc1O[C@@H](C(=O)[O-])C(C)C ZINC000011962122 167642954 /nfs/dbraw/zinc/64/29/54/167642954.db2.gz ZFNWRAZXXUJTAY-CYBMUJFWSA-N -1 0 236.311 3.298 50 0 BGAARM CC(C)c1ccccc1O[C@H](C(=O)[O-])C(C)C ZINC000011962124 342845473 /nfs/dbraw/zinc/84/54/73/342845473.db2.gz ZFNWRAZXXUJTAY-ZDUSSCGKSA-N -1 0 236.311 3.298 50 0 BGAARM CCCOc1ccc(Cl)cc1/C=C/C(=O)[O-] ZINC000011962505 169319574 /nfs/dbraw/zinc/31/95/74/169319574.db2.gz CCJQYULVMBYVRW-ZZXKWVIFSA-N -1 0 240.686 3.227 50 0 BGAARM CC(C)(Oc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000011962589 384303781 /nfs/dbraw/zinc/30/37/81/384303781.db2.gz IHAQERCVADRQLM-UHFFFAOYSA-N -1 0 249.093 3.235 50 0 BGAARM O=C([O-])CCc1ccc(Oc2ccccc2)cc1 ZINC000011962728 384305256 /nfs/dbraw/zinc/30/52/56/384305256.db2.gz XNZKHFWFUASCFO-UHFFFAOYSA-N -1 0 242.274 3.496 50 0 BGAARM C/C(=C\c1ccc(C(C)C)cc1)C(=O)[O-] ZINC000011976022 188105018 /nfs/dbraw/zinc/10/50/18/188105018.db2.gz UOPMGDFNZIMWPC-CSKARUKUSA-N -1 0 204.269 3.298 50 0 BGAARM C/C(=C\c1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000011976050 187306181 /nfs/dbraw/zinc/30/61/81/187306181.db2.gz UQVBTJBYQXKOIX-MDZDMXLPSA-N -1 0 218.296 3.472 50 0 BGAARM Cc1ccc2cc(CCC(=O)[O-])c(Cl)nc2c1 ZINC000011985539 363471713 /nfs/dbraw/zinc/47/17/13/363471713.db2.gz HEGXNVXZXJKVCY-UHFFFAOYSA-N -1 0 249.697 3.214 50 0 BGAARM CCC(CC)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000012030657 168339777 /nfs/dbraw/zinc/33/97/77/168339777.db2.gz JXBTVWHOQDPLFN-UHFFFAOYSA-N -1 0 249.310 3.068 50 0 BGAARM O=C([O-])c1ccc(N2CCCCC2)cc1Cl ZINC000012336465 132321025 /nfs/dbraw/zinc/32/10/25/132321025.db2.gz PUEGNVWKMCMZTI-UHFFFAOYSA-N -1 0 239.702 3.029 50 0 BGAARM O=C([O-])c1csc(-c2ccccc2Cl)n1 ZINC000012336799 182593843 /nfs/dbraw/zinc/59/38/43/182593843.db2.gz BWZOFJBZSUCPSM-UHFFFAOYSA-N -1 0 239.683 3.162 50 0 BGAARM C/C(=C\C(=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000012339590 322819396 /nfs/dbraw/zinc/81/93/96/322819396.db2.gz WAUDIYIPJOHERP-XNWCZRBMSA-N -1 0 220.312 3.234 50 0 BGAARM O=C([O-])c1ccc(-c2ccccc2)nc1Cl ZINC000012357248 342849880 /nfs/dbraw/zinc/84/98/80/342849880.db2.gz ZHWAGNKLAHEMRF-UHFFFAOYSA-N -1 0 233.654 3.100 50 0 BGAARM Cc1ccc(OCc2ccc(C(=O)[O-])s2)cc1 ZINC000012357626 178815378 /nfs/dbraw/zinc/81/53/78/178815378.db2.gz CABGQNXZLKJXNH-UHFFFAOYSA-N -1 0 248.303 3.334 50 0 BGAARM O=C([O-])c1cccc2c3c(oc21)CCCC3 ZINC000012357656 342849952 /nfs/dbraw/zinc/84/99/52/342849952.db2.gz KDCZYMGWMLNLLY-UHFFFAOYSA-N -1 0 216.236 3.010 50 0 BGAARM O=C([O-])C1(c2ccccc2Cl)CCCC1 ZINC000012375410 182425795 /nfs/dbraw/zinc/42/57/95/182425795.db2.gz IDXLMFIWSAQQEK-UHFFFAOYSA-N -1 0 224.687 3.236 50 0 BGAARM COc1cc(C(=O)[O-])c2c(c1)C(C)=CC(C)(C)N2 ZINC000012384923 342850638 /nfs/dbraw/zinc/85/06/38/342850638.db2.gz JCBZTSFQJBORQK-UHFFFAOYSA-N -1 0 247.294 3.001 50 0 BGAARM O=C([O-])c1ccc(-c2nc3ccccc3o2)cc1 ZINC000012391230 342851037 /nfs/dbraw/zinc/85/10/37/342851037.db2.gz NUEZYYBQCMBQOY-UHFFFAOYSA-N -1 0 239.230 3.193 50 0 BGAARM Cc1c(Cl)cccc1-n1cccc1C(=O)[O-] ZINC000012404794 342851575 /nfs/dbraw/zinc/85/15/75/342851575.db2.gz MWDPXFPYQRDGTK-UHFFFAOYSA-N -1 0 235.670 3.137 50 0 BGAARM CCc1c(C)sc(-n2cccc2)c1C(=O)[O-] ZINC000012404806 171742546 /nfs/dbraw/zinc/74/25/46/171742546.db2.gz VANSVYGSBQYVQL-UHFFFAOYSA-N -1 0 235.308 3.108 50 0 BGAARM O=C([O-])c1nc(-c2cccc(Cl)c2)cs1 ZINC000012404814 187250824 /nfs/dbraw/zinc/25/08/24/187250824.db2.gz AGFVWFNTHIHOLZ-UHFFFAOYSA-N -1 0 239.683 3.162 50 0 BGAARM O=C([O-])c1nc(-c2ccc(Cl)cc2)cs1 ZINC000012404815 384320061 /nfs/dbraw/zinc/32/00/61/384320061.db2.gz JOMOAMJPPUFTSI-UHFFFAOYSA-N -1 0 239.683 3.162 50 0 BGAARM Cc1ccc(-n2cccc2C(=O)[O-])cc1Cl ZINC000012404855 178347689 /nfs/dbraw/zinc/34/76/89/178347689.db2.gz FSUNTYKNFADKJY-UHFFFAOYSA-N -1 0 235.670 3.137 50 0 BGAARM Cc1ccc(C)c(-c2csc(C(=O)[O-])n2)c1 ZINC000012404857 384319672 /nfs/dbraw/zinc/31/96/72/384319672.db2.gz ONTNYTCJEFPHSY-UHFFFAOYSA-N -1 0 233.292 3.125 50 0 BGAARM Cc1ccc(-c2csc(C(=O)[O-])n2)c(C)c1 ZINC000012404858 178330621 /nfs/dbraw/zinc/33/06/21/178330621.db2.gz FGFJSTVUSPUMRV-UHFFFAOYSA-N -1 0 233.292 3.125 50 0 BGAARM Cc1cc(Cl)ccc1-n1cccc1C(=O)[O-] ZINC000012404887 178065161 /nfs/dbraw/zinc/06/51/61/178065161.db2.gz UWMRXOUAXPJTGJ-UHFFFAOYSA-N -1 0 235.670 3.137 50 0 BGAARM CCc1sc(-n2cccc2)c(C(=O)[O-])c1C ZINC000012404894 172128625 /nfs/dbraw/zinc/12/86/25/172128625.db2.gz PWNUDRJPUWSOBQ-UHFFFAOYSA-N -1 0 235.308 3.108 50 0 BGAARM Cc1ccc(-c2ccc(C(=O)[O-])s2)cc1 ZINC000012404907 178322926 /nfs/dbraw/zinc/32/29/26/178322926.db2.gz HAJCITVNZKDTPX-UHFFFAOYSA-N -1 0 218.277 3.422 50 0 BGAARM Fc1ccc(-n2[n-]c(=S)sc2=S)cc1 ZINC000012409083 180960087 /nfs/dbraw/zinc/96/00/87/180960087.db2.gz AZIREMOINMPUJO-UHFFFAOYSA-N -1 0 244.341 3.091 50 0 BGAARM Cc1ccccc1-n1[n-]c(=S)sc1=S ZINC000012409085 179242376 /nfs/dbraw/zinc/24/23/76/179242376.db2.gz PRDJFGGJAKYVGA-UHFFFAOYSA-N -1 0 240.378 3.260 50 0 BGAARM O=[S@]([O-])c1ccc2oc3ccccc3c2c1 ZINC000012416494 356367792 /nfs/dbraw/zinc/36/77/92/356367792.db2.gz QYRVEHFCYIKWAT-UHFFFAOYSA-N -1 0 232.260 3.167 50 0 BGAARM O=C([O-])c1csc(-c2ccccc2)c1 ZINC000012505060 342852635 /nfs/dbraw/zinc/85/26/35/342852635.db2.gz UPASVLUUTUDFMY-UHFFFAOYSA-N -1 0 204.250 3.113 50 0 BGAARM S=c1[nH]c(-c2ccco2)nc2ccccc21 ZINC000012505091 188104841 /nfs/dbraw/zinc/10/48/41/188104841.db2.gz DRNQQXJMZSKYFQ-UHFFFAOYSA-N -1 0 228.276 3.179 50 0 BGAARM Cc1ccc2c(c1)c(C)cc1n[n-]c(=S)n12 ZINC000012505977 342853023 /nfs/dbraw/zinc/85/30/23/342853023.db2.gz YGKGTENWRAQVDU-UHFFFAOYSA-N -1 0 229.308 3.162 50 0 BGAARM Cc1cccc2c(C)cc3n[n-]c(=S)n3c12 ZINC000012505981 178300795 /nfs/dbraw/zinc/30/07/95/178300795.db2.gz GDSVRKAUEMWIPC-UHFFFAOYSA-N -1 0 229.308 3.162 50 0 BGAARM CCOc1cc(C(C)(C)C)ccc1C(=O)[O-] ZINC000012648897 342855954 /nfs/dbraw/zinc/85/59/54/342855954.db2.gz UZRSFWUQUGFVBS-UHFFFAOYSA-N -1 0 222.284 3.081 50 0 BGAARM CC(C)(C)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC000012879827 188105189 /nfs/dbraw/zinc/10/51/89/188105189.db2.gz AYUZKGVLRKUOAP-UHFFFAOYSA-N -1 0 218.296 3.100 50 0 BGAARM CCCSc1ccc(/C=C/C(=O)[O-])cc1 ZINC000012920043 169341172 /nfs/dbraw/zinc/34/11/72/169341172.db2.gz HPIILFBZJKQDCI-VMPITWQZSA-N -1 0 222.309 3.287 50 0 BGAARM O=C([O-])Cc1ccc(Oc2ccc(F)cc2)cc1 ZINC000012954405 384343678 /nfs/dbraw/zinc/34/36/78/384343678.db2.gz VMMSFFIABDLZIP-UHFFFAOYSA-N -1 0 246.237 3.245 50 0 BGAARM O=C([O-])c1cncc(-c2ccccc2Cl)c1 ZINC000012955796 342861881 /nfs/dbraw/zinc/86/18/81/342861881.db2.gz HEDDIFGTGPJAQH-UHFFFAOYSA-N -1 0 233.654 3.100 50 0 BGAARM O=C([O-])c1cncc(-c2cccc(Cl)c2)c1 ZINC000012955799 342861925 /nfs/dbraw/zinc/86/19/25/342861925.db2.gz QTMFBTMLLNVUPT-UHFFFAOYSA-N -1 0 233.654 3.100 50 0 BGAARM O=C([O-])c1cncc(-c2ccc(Cl)cc2)c1 ZINC000012955803 342861866 /nfs/dbraw/zinc/86/18/66/342861866.db2.gz BYZIYNPOAGZGJW-UHFFFAOYSA-N -1 0 233.654 3.100 50 0 BGAARM O=C([O-])c1ccc(-c2ccccc2Cl)nc1 ZINC000012955823 342861861 /nfs/dbraw/zinc/86/18/61/342861861.db2.gz VXJAZQMICITSTL-UHFFFAOYSA-N -1 0 233.654 3.100 50 0 BGAARM O=C([O-])c1ccc(-c2cccc(Cl)c2)nc1 ZINC000012955828 342861988 /nfs/dbraw/zinc/86/19/88/342861988.db2.gz NWBCIKJWYVAJLJ-UHFFFAOYSA-N -1 0 233.654 3.100 50 0 BGAARM O=C([O-])c1ccc(-c2ccc(Cl)cc2)nc1 ZINC000012955833 182561346 /nfs/dbraw/zinc/56/13/46/182561346.db2.gz WAPOIXVQQDLMPP-UHFFFAOYSA-N -1 0 233.654 3.100 50 0 BGAARM O=C(Nc1ccccc1)c1ccc([O-])c(Cl)c1 ZINC000012978377 182378590 /nfs/dbraw/zinc/37/85/90/182378590.db2.gz UZLNDZKBMCXKGQ-UHFFFAOYSA-N -1 0 247.681 3.298 50 0 BGAARM Cc1ccc(O)c(C(=O)NC2CCC(C)CC2)c1 ZINC000013003907 342862846 /nfs/dbraw/zinc/86/28/46/342862846.db2.gz RJPSXUBVZFDHFH-UHFFFAOYSA-N -1 0 247.338 3.009 50 0 BGAARM O=C([O-])c1cccnc1Oc1cccc(Cl)c1 ZINC000013090439 342863338 /nfs/dbraw/zinc/86/33/38/342863338.db2.gz ZZJPVCGMAKVSHU-UHFFFAOYSA-N -1 0 249.653 3.226 50 0 BGAARM CCc1ccc(Nc2ncccc2C(=O)[O-])cc1 ZINC000013090556 384347521 /nfs/dbraw/zinc/34/75/21/384347521.db2.gz IWDDQRJUPZROSB-UHFFFAOYSA-N -1 0 242.278 3.086 50 0 BGAARM O=C([O-])c1cccnc1Sc1ccccc1F ZINC000013091364 342863389 /nfs/dbraw/zinc/86/33/89/342863389.db2.gz IOJDCSXTVFLMAL-UHFFFAOYSA-N -1 0 249.266 3.070 50 0 BGAARM S=c1[n-]nc(C2(c3ccccc3)CCCC2)o1 ZINC000013114989 342863688 /nfs/dbraw/zinc/86/36/88/342863688.db2.gz XUURERUVIZSRTI-UHFFFAOYSA-N -1 0 246.335 3.218 50 0 BGAARM O=C([O-])c1cccc(N=NN2CCCCCC2)c1 ZINC000013118692 361185395 /nfs/dbraw/zinc/18/53/95/361185395.db2.gz OJPBMUUZGYZDMW-UHFFFAOYSA-N -1 0 247.298 3.260 50 0 BGAARM Cn1nccc1-c1cc(Cl)cc(Cl)c1[O-] ZINC000013125190 385257511 /nfs/dbraw/zinc/25/75/11/385257511.db2.gz GLPLNMOKYXFEPI-UHFFFAOYSA-N -1 0 243.093 3.100 50 0 BGAARM Cc1ccc(C(=O)[O-])cc1NC(=O)CC(C)(C)C ZINC000013322625 384353002 /nfs/dbraw/zinc/35/30/02/384353002.db2.gz IQZBVCIRKSIHQY-UHFFFAOYSA-N -1 0 249.310 3.068 50 0 BGAARM Cc1ccccc1COc1ccc(C(=O)[O-])cc1 ZINC000013456817 179285492 /nfs/dbraw/zinc/28/54/92/179285492.db2.gz YBAKJGNELKZYKS-UHFFFAOYSA-N -1 0 242.274 3.272 50 0 BGAARM CCOc1c(C)cc(CCCC(=O)[O-])cc1C ZINC000013495744 342867272 /nfs/dbraw/zinc/86/72/72/342867272.db2.gz YVRYSNLJPZUWQZ-UHFFFAOYSA-N -1 0 236.311 3.109 50 0 BGAARM O=c1c2ccc([O-])cc2occ1-c1ccccc1 ZINC000013518422 342867250 /nfs/dbraw/zinc/86/72/50/342867250.db2.gz WMKOZARWBMFKAS-UHFFFAOYSA-N -1 0 238.242 3.166 50 0 biogenic,in-vitro BGAARM Cc1ccc2c(C)cc3n[n-]c(=S)n3c2c1C ZINC000013535064 342867283 /nfs/dbraw/zinc/86/72/83/342867283.db2.gz WZILMNVYUVSMLX-UHFFFAOYSA-N -1 0 243.335 3.470 50 0 BGAARM Cc1cc(C)cc(C2(C(=O)[O-])CCCC2)c1 ZINC000013536003 384364564 /nfs/dbraw/zinc/36/45/64/384364564.db2.gz NFYFKAXGSUWRBJ-UHFFFAOYSA-N -1 0 218.296 3.200 50 0 BGAARM CN(C)c1ccc(-c2ccc(C(=O)[O-])cc2)cc1 ZINC000013606288 172547382 /nfs/dbraw/zinc/54/73/82/172547382.db2.gz KOXRFVAXGRMERH-UHFFFAOYSA-N -1 0 241.290 3.118 50 0 BGAARM CN(C)c1cccc(-c2ccc(C(=O)[O-])cc2)c1 ZINC000013606291 172563843 /nfs/dbraw/zinc/56/38/43/172563843.db2.gz UJFZKWPBNXPXRR-UHFFFAOYSA-N -1 0 241.290 3.118 50 0 BGAARM CC(C)Cc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000013646196 342869099 /nfs/dbraw/zinc/86/90/99/342869099.db2.gz SFVKLYXPBKITCE-SNVBAGLBSA-N -1 0 206.285 3.073 50 0 in-vivo BGAARM CC(C)Cc1cccc([C@H](C)C(=O)[O-])c1 ZINC000013646198 188105791 /nfs/dbraw/zinc/10/57/91/188105791.db2.gz SFVKLYXPBKITCE-JTQLQIEISA-N -1 0 206.285 3.073 50 0 in-vivo BGAARM COC(=S)[N-]c1cccc(C(F)(F)F)c1 ZINC000013656711 346963020 /nfs/dbraw/zinc/96/30/20/346963020.db2.gz XDHFCEASWLXGMM-UHFFFAOYSA-N -1 0 235.230 3.049 50 0 BGAARM O=C([O-])CCCCCCC(=O)Nc1ccccc1 ZINC000014616789 182435513 /nfs/dbraw/zinc/43/55/13/182435513.db2.gz PAXDAFSGJPGLGR-UHFFFAOYSA-N -1 0 249.310 3.050 50 0 in-vitro BGAARM Cc1ccc2nc(C)cc(SCC(=O)[O-])c2c1 ZINC000014807779 342887776 /nfs/dbraw/zinc/88/77/76/342887776.db2.gz LJPBDVAMKQPUKB-UHFFFAOYSA-N -1 0 247.319 3.028 50 0 BGAARM O=C([O-])[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000014808334 182505575 /nfs/dbraw/zinc/50/55/75/182505575.db2.gz PKCHPRKLZKXQHF-ZDUSSCGKSA-N -1 0 230.238 3.042 50 0 BGAARM Cc1c(Cl)cc(C(=O)[O-])cc1Cl ZINC000014989295 342890468 /nfs/dbraw/zinc/89/04/68/342890468.db2.gz GBEJAEMDMASLJL-UHFFFAOYSA-N -1 0 205.040 3.000 50 0 BGAARM O=C([O-])C1(c2cccc(Cl)c2)CCCC1 ZINC000015014773 384416026 /nfs/dbraw/zinc/41/60/26/384416026.db2.gz GGEPQYZXKVJSEX-UHFFFAOYSA-N -1 0 224.687 3.236 50 0 in-vitro BGAARM CC(C)c1n[n-]c(=S)n1-c1ccc(F)cc1 ZINC000015107749 342831258 /nfs/dbraw/zinc/83/12/58/342831258.db2.gz YPZMZNBGIJIDCW-UHFFFAOYSA-N -1 0 237.303 3.192 50 0 BGAARM O=C([O-])c1cccc(COc2ccccc2F)c1 ZINC000015417853 342896042 /nfs/dbraw/zinc/89/60/42/342896042.db2.gz QTOOMHCZTBDSEB-UHFFFAOYSA-N -1 0 246.237 3.103 50 0 BGAARM Cc1cccc(C(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c1 ZINC000015441456 342896261 /nfs/dbraw/zinc/89/62/61/342896261.db2.gz QSSIEUMRWFFUAB-CHWSQXEVSA-N -1 0 246.306 3.069 50 0 BGAARM Cc1cccc(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c1 ZINC000015441459 342896325 /nfs/dbraw/zinc/89/63/25/342896325.db2.gz QSSIEUMRWFFUAB-QWHCGFSZSA-N -1 0 246.306 3.069 50 0 BGAARM C[C@@H](CC(=O)[O-])CC(=O)c1ccc(Cl)s1 ZINC000015441790 342896443 /nfs/dbraw/zinc/89/64/43/342896443.db2.gz KIXMFCURAYYUCO-ZCFIWIBFSA-N -1 0 246.715 3.085 50 0 BGAARM C[C@H](CC(=O)[O-])CC(=O)c1ccc(Cl)s1 ZINC000015441791 342896335 /nfs/dbraw/zinc/89/63/35/342896335.db2.gz KIXMFCURAYYUCO-LURJTMIESA-N -1 0 246.715 3.085 50 0 BGAARM Cc1cccc2c(=O)cc(C(F)(F)F)[n-]c12 ZINC000015923743 179211566 /nfs/dbraw/zinc/21/15/66/179211566.db2.gz HLPDICBGZTVELB-UHFFFAOYSA-N -1 0 227.185 3.268 50 0 BGAARM O=C([O-])c1ccc(-c2c(F)cccc2F)cc1 ZINC000016052010 342905447 /nfs/dbraw/zinc/90/54/47/342905447.db2.gz CWWIIKLXUPZDOG-UHFFFAOYSA-N -1 0 234.201 3.330 50 0 in-vivo BGAARM O=C([O-])c1cc(Oc2ccccc2)cs1 ZINC000016124585 342906693 /nfs/dbraw/zinc/90/66/93/342906693.db2.gz KTPBODVHKHGJGD-UHFFFAOYSA-N -1 0 220.249 3.239 50 0 BGAARM O=C([O-])CCNc1ccc(-c2ccccc2)cc1 ZINC000016426283 384457491 /nfs/dbraw/zinc/45/74/91/384457491.db2.gz URQKONWODPRUBS-UHFFFAOYSA-N -1 0 241.290 3.240 50 0 BGAARM O=C([O-])c1cccc(-c2nc3ccccc3o2)c1 ZINC000016545327 182574611 /nfs/dbraw/zinc/57/46/11/182574611.db2.gz VSIDLODXMSPACX-UHFFFAOYSA-N -1 0 239.230 3.193 50 0 BGAARM CC(C)Oc1cc2ccccc2cc1C(=O)[O-] ZINC000016575608 167288440 /nfs/dbraw/zinc/28/84/40/167288440.db2.gz VWMJRHSMOPFAOH-UHFFFAOYSA-N -1 0 230.263 3.325 50 0 BGAARM Cc1cc(C(=O)[O-])ccc1NCc1ccccc1 ZINC000016577263 384460855 /nfs/dbraw/zinc/46/08/55/384460855.db2.gz SSUBQOIHGIBKDK-UHFFFAOYSA-N -1 0 241.290 3.305 50 0 BGAARM Cc1ccc(C(=O)[O-])cc1NCc1ccccc1 ZINC000016577685 384463095 /nfs/dbraw/zinc/46/30/95/384463095.db2.gz JNBIKBJHQBDIQK-UHFFFAOYSA-N -1 0 241.290 3.305 50 0 BGAARM CCC(=O)Nc1ccc(C(C)(C)C)cc1C(=O)[O-] ZINC000016623532 168244137 /nfs/dbraw/zinc/24/41/37/168244137.db2.gz NRKKWKJHDCALAA-UHFFFAOYSA-N -1 0 249.310 3.031 50 0 BGAARM CCCCC(=O)Nc1c(C)cc(C)cc1C(=O)[O-] ZINC000016623715 353404961 /nfs/dbraw/zinc/40/49/61/353404961.db2.gz FELIZHXJFFPDGZ-UHFFFAOYSA-N -1 0 249.310 3.130 50 0 BGAARM Cc1cc(C(=O)[O-])ccc1-c1cccc(Cl)n1 ZINC000016696618 409661467 /nfs/dbraw/zinc/66/14/67/409661467.db2.gz BOFJHJBPFKPTFD-UHFFFAOYSA-N -1 0 247.681 3.409 50 0 BGAARM O=C([O-])c1ccccc1-c1ccc(Cl)cn1 ZINC000016698774 342914250 /nfs/dbraw/zinc/91/42/50/342914250.db2.gz CRTRPPBWTMUCQI-UHFFFAOYSA-N -1 0 233.654 3.100 50 0 BGAARM O=C([O-])/C=C\c1ccc(Cl)cc1Cl ZINC000016891583 388369197 /nfs/dbraw/zinc/36/91/97/388369197.db2.gz MEBWABJHRAYGFW-RQOWECAXSA-N -1 0 217.051 3.091 50 0 BGAARM COc1cccc(-c2ccc(C(=O)[O-])s2)c1 ZINC000016946043 175234139 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214.264 3.202 50 0 BGAARM Cc1nc(-c2ccccc2C)sc1C(=O)[O-] ZINC000036532717 179238299 /nfs/dbraw/zinc/23/82/99/179238299.db2.gz OFTVPKQWPZKNMB-UHFFFAOYSA-N -1 0 233.292 3.125 50 0 BGAARM Cc1nc(-c2cccc(C)c2)sc1C(=O)[O-] ZINC000036532718 343320144 /nfs/dbraw/zinc/32/01/44/343320144.db2.gz WUHDNJIZCWCGSN-UHFFFAOYSA-N -1 0 233.292 3.125 50 0 BGAARM O=C([O-])c1sc2ccccc2c1-n1cccc1 ZINC000036532818 182598976 /nfs/dbraw/zinc/59/89/76/182598976.db2.gz XZOABMASIVCDCE-UHFFFAOYSA-N -1 0 243.287 3.390 50 0 BGAARM [S-]c1ccc(Br)cc1Cl ZINC000036532991 343319876 /nfs/dbraw/zinc/31/98/76/343319876.db2.gz VZQDBNWKBKWCFJ-UHFFFAOYSA-N -1 0 223.522 3.391 50 0 BGAARM Fc1cc(F)c([S-])c(Br)c1 ZINC000036532998 343319869 /nfs/dbraw/zinc/31/98/69/343319869.db2.gz KDIDVHAHPPNRGO-UHFFFAOYSA-N -1 0 225.057 3.016 50 0 BGAARM Fc1cc(Br)c(F)cc1[S-] ZINC000036533000 383904789 /nfs/dbraw/zinc/90/47/89/383904789.db2.gz XSGKHVPYFWMQQM-UHFFFAOYSA-N -1 0 225.057 3.016 50 0 BGAARM [S-]c1cc(Br)ccc1Cl ZINC000036533066 343319922 /nfs/dbraw/zinc/31/99/22/343319922.db2.gz GZYHPKOEBMNDFS-UHFFFAOYSA-N -1 0 223.522 3.391 50 0 BGAARM Cc1ccc(Br)cc1[S-] ZINC000036533084 178362356 /nfs/dbraw/zinc/36/23/56/178362356.db2.gz SFFDMQAUOUPZMM-UHFFFAOYSA-N -1 0 203.104 3.046 50 0 BGAARM O=C([O-])c1ccc2c(c1)oc1ccccc12 ZINC000036636028 343321370 /nfs/dbraw/zinc/32/13/70/343321370.db2.gz IPAZMLAVBPDMLK-UHFFFAOYSA-N -1 0 212.204 3.284 50 0 BGAARM CC1=Nc2ccc(CCC(=O)[O-])cc2C1(C)C ZINC000036709988 168137233 /nfs/dbraw/zinc/13/72/33/168137233.db2.gz QIMIOCZMNPBLPO-UHFFFAOYSA-N -1 0 231.295 3.087 50 0 BGAARM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000036720549 343322899 /nfs/dbraw/zinc/32/28/99/343322899.db2.gz WHLRMUPIJBFDSX-LURJTMIESA-N -1 0 233.094 3.257 50 0 BGAARM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000036720551 343323171 /nfs/dbraw/zinc/32/31/71/343323171.db2.gz WHLRMUPIJBFDSX-ZCFIWIBFSA-N -1 0 233.094 3.257 50 0 BGAARM C[C@@H]1CCC[C@H](Nc2ccccc2C(=O)[O-])C1 ZINC000036891534 176145004 /nfs/dbraw/zinc/14/50/04/176145004.db2.gz DAYHSSLFIGVUKJ-MNOVXSKESA-N -1 0 233.311 3.375 50 0 BGAARM C[C@H]1CCC[C@H](Nc2ccccc2C(=O)[O-])C1 ZINC000036891535 177137954 /nfs/dbraw/zinc/13/79/54/177137954.db2.gz DAYHSSLFIGVUKJ-QWRGUYRKSA-N -1 0 233.311 3.375 50 0 BGAARM C[C@@H]1CCC[C@@H](Nc2ccccc2C(=O)[O-])C1 ZINC000036891536 176124080 /nfs/dbraw/zinc/12/40/80/176124080.db2.gz DAYHSSLFIGVUKJ-GHMZBOCLSA-N -1 0 233.311 3.375 50 0 BGAARM C[C@H]1CCC[C@@H](Nc2ccccc2C(=O)[O-])C1 ZINC000036891537 188113608 /nfs/dbraw/zinc/11/36/08/188113608.db2.gz DAYHSSLFIGVUKJ-WDEREUQCSA-N -1 0 233.311 3.375 50 0 BGAARM Cc1cc(C)c(-c2nc(C(=O)[O-])cs2)c(C)c1 ZINC000036893220 642429417 /nfs/dbraw/zinc/42/94/17/642429417.db2.gz NQAGBDTZQARGEC-UHFFFAOYSA-N -1 0 247.319 3.434 50 0 BGAARM O=C([O-])c1csc(-c2ccc(Cl)s2)n1 ZINC000036893231 343326734 /nfs/dbraw/zinc/32/67/34/343326734.db2.gz GZHZOVKNUULZDF-UHFFFAOYSA-N -1 0 245.712 3.223 50 0 BGAARM O=C([O-])c1sccc1-c1ccc(F)cc1 ZINC000036904642 343327558 /nfs/dbraw/zinc/32/75/58/343327558.db2.gz BTIDKEQHCRGPKK-UHFFFAOYSA-N -1 0 222.240 3.252 50 0 BGAARM COc1ccccc1-c1ccsc1C(=O)[O-] ZINC000036904651 175309701 /nfs/dbraw/zinc/30/97/01/175309701.db2.gz QBWDBOONGOMYNQ-UHFFFAOYSA-N -1 0 234.276 3.122 50 0 BGAARM Cc1c2cc(F)ccc2sc1C(=O)[O-] ZINC000036928809 343328024 /nfs/dbraw/zinc/32/80/24/343328024.db2.gz XJCCCHHWBCGPCB-UHFFFAOYSA-N -1 0 210.229 3.047 50 0 BGAARM O=C([O-])c1ccc(-c2ccc(F)c(F)c2F)o1 ZINC000036929538 343328061 /nfs/dbraw/zinc/32/80/61/343328061.db2.gz IGGFOMNIFYAWBI-UHFFFAOYSA-N -1 0 242.152 3.062 50 0 BGAARM Cc1ccc(-c2ccc(C(=O)[O-])o2)cc1F ZINC000036929539 642428422 /nfs/dbraw/zinc/42/84/22/642428422.db2.gz MXUDEUIOPLNJTF-UHFFFAOYSA-N -1 0 220.199 3.092 50 0 BGAARM Cc1ccc(-c2ncc(C(=O)[O-])s2)c(C)c1 ZINC000036930161 178338680 /nfs/dbraw/zinc/33/86/80/178338680.db2.gz VQAQHESOPWLQDG-UHFFFAOYSA-N -1 0 233.292 3.125 50 0 BGAARM O=C([O-])C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000036948407 182424896 /nfs/dbraw/zinc/42/48/96/182424896.db2.gz LKLDQXZDZVETAB-UHFFFAOYSA-N -1 0 245.105 3.500 50 0 BGAARM CC(C)[C@@H](C)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000037121009 167385267 /nfs/dbraw/zinc/38/52/67/167385267.db2.gz AKMSHFJDCRLMAZ-MRVPVSSYSA-N -1 0 241.718 3.495 50 0 BGAARM CC(C)[C@H](C)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000037121010 383941856 /nfs/dbraw/zinc/94/18/56/383941856.db2.gz AKMSHFJDCRLMAZ-QMMMGPOBSA-N -1 0 241.718 3.495 50 0 BGAARM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)[O-] ZINC000037122652 343334528 /nfs/dbraw/zinc/33/45/28/343334528.db2.gz LZJYCVCJNOWGEC-JTQLQIEISA-N -1 0 221.300 3.150 50 0 BGAARM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)[O-] ZINC000037122653 343334557 /nfs/dbraw/zinc/33/45/57/343334557.db2.gz LZJYCVCJNOWGEC-SNVBAGLBSA-N -1 0 221.300 3.150 50 0 BGAARM Cc1ccc(-c2ncc(C(=O)[O-])s2)cc1C ZINC000037169412 178339084 /nfs/dbraw/zinc/33/90/84/178339084.db2.gz URPWGVUSUCAMIC-UHFFFAOYSA-N -1 0 233.292 3.125 50 0 BGAARM Cc1nc2cc(C(=O)[O-])ccc2n1C1CCCC1 ZINC000037309724 180076628 /nfs/dbraw/zinc/07/66/28/180076628.db2.gz LPGAZCJFLBYFMV-UHFFFAOYSA-N -1 0 244.294 3.158 50 0 BGAARM CC(C)n1c2ccccc2nc1CCCC(=O)[O-] ZINC000037323488 343343489 /nfs/dbraw/zinc/34/34/89/343343489.db2.gz PCBROOVSNRTPCY-UHFFFAOYSA-N -1 0 246.310 3.025 50 0 BGAARM O=C([O-])c1ccc(-c2cccc3cccnc32)o1 ZINC000037338183 343343572 /nfs/dbraw/zinc/34/35/72/343343572.db2.gz GFHVRHGCUMUTBV-UHFFFAOYSA-N -1 0 239.230 3.193 50 0 BGAARM O=C([O-])c1ccc(C2CCCCC2)s1 ZINC000037367136 642433387 /nfs/dbraw/zinc/43/33/87/642433387.db2.gz BLTOAMGPMKEQFC-UHFFFAOYSA-N -1 0 210.298 3.494 50 0 BGAARM CC[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)[O-] ZINC000037373929 343343863 /nfs/dbraw/zinc/34/38/63/343343863.db2.gz IOUZSIUXDWNRLL-LBPRGKRZSA-N -1 0 236.311 3.226 50 0 BGAARM CC[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)[O-] ZINC000037373931 343343918 /nfs/dbraw/zinc/34/39/18/343343918.db2.gz IOUZSIUXDWNRLL-GFCCVEGCSA-N -1 0 236.311 3.226 50 0 BGAARM O=C([O-])CCCc1cc(Cl)sc1Cl ZINC000037379645 383974337 /nfs/dbraw/zinc/97/43/37/383974337.db2.gz YVWAQSHXWYMXCF-UHFFFAOYSA-N -1 0 239.123 3.462 50 0 BGAARM O=C([O-])[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000037380598 343343856 /nfs/dbraw/zinc/34/38/56/343343856.db2.gz FYIYLUVAEOWOBJ-STQMWFEESA-N -1 0 212.248 3.028 50 0 BGAARM O=C([O-])[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000037380601 182545277 /nfs/dbraw/zinc/54/52/77/182545277.db2.gz FYIYLUVAEOWOBJ-OLZOCXBDSA-N -1 0 212.248 3.028 50 0 BGAARM O=C([O-])[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000037380603 182521392 /nfs/dbraw/zinc/52/13/92/182521392.db2.gz FYIYLUVAEOWOBJ-QWHCGFSZSA-N -1 0 212.248 3.028 50 0 BGAARM O=C([O-])[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000037380606 343343822 /nfs/dbraw/zinc/34/38/22/343343822.db2.gz FYIYLUVAEOWOBJ-CHWSQXEVSA-N -1 0 212.248 3.028 50 0 BGAARM O=C([O-])[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000037380754 343344262 /nfs/dbraw/zinc/34/42/62/343344262.db2.gz HNBMCAXNEUPDCW-BQBZGAKWSA-N -1 0 231.078 3.182 50 0 BGAARM O=C([O-])[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000037380757 343344421 /nfs/dbraw/zinc/34/44/21/343344421.db2.gz HNBMCAXNEUPDCW-RQJHMYQMSA-N -1 0 231.078 3.182 50 0 BGAARM O=C([O-])[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000037380760 343344343 /nfs/dbraw/zinc/34/43/43/343344343.db2.gz HNBMCAXNEUPDCW-NKWVEPMBSA-N -1 0 231.078 3.182 50 0 BGAARM O=C([O-])[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000037380762 343344229 /nfs/dbraw/zinc/34/42/29/343344229.db2.gz HNBMCAXNEUPDCW-RNFRBKRXSA-N -1 0 231.078 3.182 50 0 BGAARM O=C([O-])[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000037380829 343344200 /nfs/dbraw/zinc/34/42/00/343344200.db2.gz YQPCJQVAXDLWGR-STQMWFEESA-N -1 0 212.248 3.028 50 0 BGAARM O=C([O-])[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000037380832 182545514 /nfs/dbraw/zinc/54/55/14/182545514.db2.gz YQPCJQVAXDLWGR-OLZOCXBDSA-N -1 0 212.248 3.028 50 0 BGAARM O=C([O-])[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000037380836 343344228 /nfs/dbraw/zinc/34/42/28/343344228.db2.gz YQPCJQVAXDLWGR-QWHCGFSZSA-N -1 0 212.248 3.028 50 0 BGAARM O=C([O-])[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000037380839 343344456 /nfs/dbraw/zinc/34/44/56/343344456.db2.gz YQPCJQVAXDLWGR-CHWSQXEVSA-N -1 0 212.248 3.028 50 0 BGAARM O=C([O-])[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000037380915 343344366 /nfs/dbraw/zinc/34/43/66/343344366.db2.gz ZIYQYJURTQZRGY-JGVFFNPUSA-N -1 0 231.078 3.182 50 0 BGAARM O=C([O-])[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000037380919 182520173 /nfs/dbraw/zinc/52/01/73/182520173.db2.gz ZIYQYJURTQZRGY-HTQZYQBOSA-N -1 0 231.078 3.182 50 0 BGAARM O=C([O-])[C@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000037381152 182546901 /nfs/dbraw/zinc/54/69/01/182546901.db2.gz GDGXBNVMCFKSFP-BQBZGAKWSA-N -1 0 231.078 3.182 50 0 BGAARM O=C([O-])[C@@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000037381156 343344438 /nfs/dbraw/zinc/34/44/38/343344438.db2.gz GDGXBNVMCFKSFP-NKWVEPMBSA-N -1 0 231.078 3.182 50 0 BGAARM O=C([O-])[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000037381158 343344203 /nfs/dbraw/zinc/34/42/03/343344203.db2.gz GDGXBNVMCFKSFP-RNFRBKRXSA-N -1 0 231.078 3.182 50 0 BGAARM O=C([O-])[C@H]1C[C@H]1c1c(Cl)cccc1Cl ZINC000037381161 343344424 /nfs/dbraw/zinc/34/44/24/343344424.db2.gz UJOYJHSCWRJSST-RITPCOANSA-N -1 0 231.078 3.182 50 0 BGAARM O=C([O-])[C@H]1C[C@@H]1c1c(Cl)cccc1Cl ZINC000037381165 343344351 /nfs/dbraw/zinc/34/43/51/343344351.db2.gz UJOYJHSCWRJSST-WDSKDSINSA-N -1 0 231.078 3.182 50 0 BGAARM O=C([O-])[C@@H]1C[C@H]1c1c(Cl)cccc1Cl ZINC000037381168 343344224 /nfs/dbraw/zinc/34/42/24/343344224.db2.gz UJOYJHSCWRJSST-PHDIDXHHSA-N -1 0 231.078 3.182 50 0 BGAARM O=C([O-])[C@@H]1C[C@@H]1c1c(Cl)cccc1Cl ZINC000037381171 182520801 /nfs/dbraw/zinc/52/08/01/182520801.db2.gz UJOYJHSCWRJSST-NTSWFWBYSA-N -1 0 231.078 3.182 50 0 BGAARM CCC[C@@H](C)c1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC000037400821 169375308 /nfs/dbraw/zinc/37/53/08/169375308.db2.gz VHTNAEYFGXHODS-MRVPVSSYSA-N -1 0 232.283 3.165 50 0 BGAARM CCC[C@H](C)c1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC000037400823 383974663 /nfs/dbraw/zinc/97/46/63/383974663.db2.gz VHTNAEYFGXHODS-QMMMGPOBSA-N -1 0 232.283 3.165 50 0 BGAARM O=C([O-])[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000037425101 343345588 /nfs/dbraw/zinc/34/55/88/343345588.db2.gz IXQKEOPPCOTSSC-IUCAKERBSA-N -1 0 231.078 3.182 50 0 BGAARM O=C([O-])[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000037425102 343345396 /nfs/dbraw/zinc/34/53/96/343345396.db2.gz IXQKEOPPCOTSSC-BDAKNGLRSA-N -1 0 231.078 3.182 50 0 BGAARM O=C([O-])[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000037425104 343345392 /nfs/dbraw/zinc/34/53/92/343345392.db2.gz IXQKEOPPCOTSSC-DTWKUNHWSA-N -1 0 231.078 3.182 50 0 BGAARM O=C([O-])[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000037425106 343345435 /nfs/dbraw/zinc/34/54/35/343345435.db2.gz IXQKEOPPCOTSSC-RKDXNWHRSA-N -1 0 231.078 3.182 50 0 BGAARM Cc1ccccc1[C@H](C(=O)[O-])c1ccccc1 ZINC000037629187 179332563 /nfs/dbraw/zinc/33/25/63/179332563.db2.gz WHTHABWVVIKFLX-CQSZACIVSA-N -1 0 226.275 3.212 50 0 BGAARM Cc1ccccc1[C@@H](C(=O)[O-])c1ccccc1 ZINC000037629189 179316314 /nfs/dbraw/zinc/31/63/14/179316314.db2.gz WHTHABWVVIKFLX-AWEZNQCLSA-N -1 0 226.275 3.212 50 0 BGAARM Cc1cccc(C(=O)[O-])c1OCc1ccccc1 ZINC000037729611 179025895 /nfs/dbraw/zinc/02/58/95/179025895.db2.gz GKCYQFKNUNDPQV-UHFFFAOYSA-N -1 0 242.274 3.272 50 0 BGAARM Nc1ccc(Sc2ccccc2)c(C(=O)[O-])c1 ZINC000037933700 181725361 /nfs/dbraw/zinc/72/53/61/181725361.db2.gz MKSHKRLNPIFOSW-UHFFFAOYSA-N -1 0 245.303 3.118 50 0 BGAARM CCC(CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000037934453 168313187 /nfs/dbraw/zinc/31/31/87/168313187.db2.gz DQXQQLGHQNYCHK-UHFFFAOYSA-N -1 0 226.703 3.482 50 0 BGAARM CC(C)(C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000037934469 166514149 /nfs/dbraw/zinc/51/41/49/166514149.db2.gz XJOFPJZWSSQZMN-UHFFFAOYSA-N -1 0 232.201 3.068 50 0 BGAARM CC(C)COc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000037934481 384042717 /nfs/dbraw/zinc/04/27/17/384042717.db2.gz FDTFWXQBGIXJEW-UHFFFAOYSA-N -1 0 236.311 3.084 50 0 BGAARM O=C([O-])[C@@H](Nc1ccccc1)c1ccccc1F ZINC000037953855 343362342 /nfs/dbraw/zinc/36/23/42/343362342.db2.gz ACPNBZSGLDLKAZ-ZDUSSCGKSA-N -1 0 245.253 3.064 50 0 BGAARM O=C([O-])[C@H](Nc1ccccc1)c1ccccc1F ZINC000037953856 182527654 /nfs/dbraw/zinc/52/76/54/182527654.db2.gz ACPNBZSGLDLKAZ-CYBMUJFWSA-N -1 0 245.253 3.064 50 0 BGAARM CSCc1c2ccccc2sc1C(=O)[O-] ZINC000038063408 175531357 /nfs/dbraw/zinc/53/13/57/175531357.db2.gz CSLIMGSNLSQIFR-UHFFFAOYSA-N -1 0 238.333 3.463 50 0 BGAARM Cc1ccc(-c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000038068116 178324035 /nfs/dbraw/zinc/32/40/35/178324035.db2.gz IYTVYDHFZDUNIM-UHFFFAOYSA-N -1 0 230.238 3.499 50 0 BGAARM Cc1ccc(-c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000038068117 178322471 /nfs/dbraw/zinc/32/24/71/178322471.db2.gz XYNYMRQCAUBBRV-UHFFFAOYSA-N -1 0 230.238 3.499 50 0 BGAARM Cc1ccc(F)c(-c2cccc(C(=O)[O-])c2)c1 ZINC000038068135 343368575 /nfs/dbraw/zinc/36/85/75/343368575.db2.gz BAXXLECALKOFNA-UHFFFAOYSA-N -1 0 230.238 3.499 50 0 BGAARM Cc1ccccc1-c1ccc(F)c(C(=O)[O-])c1 ZINC000038068157 179235266 /nfs/dbraw/zinc/23/52/66/179235266.db2.gz TUNJTSTYANJLBF-UHFFFAOYSA-N -1 0 230.238 3.499 50 0 BGAARM Cc1ccccc1-c1ccc(C(=O)[O-])c(F)c1 ZINC000038068158 179235179 /nfs/dbraw/zinc/23/51/79/179235179.db2.gz SCNVVXHUHGWEHS-UHFFFAOYSA-N -1 0 230.238 3.499 50 0 BGAARM O=C([O-])c1cc(-c2ccc(F)cc2)ccc1F ZINC000038068160 343368366 /nfs/dbraw/zinc/36/83/66/343368366.db2.gz QFOLNTPEYOGOJM-UHFFFAOYSA-N -1 0 234.201 3.330 50 0 BGAARM O=C([O-])c1ccc(-c2ccc(F)cc2)cc1F ZINC000038068161 343368334 /nfs/dbraw/zinc/36/83/34/343368334.db2.gz VHYXMXAOCUVYFJ-UHFFFAOYSA-N -1 0 234.201 3.330 50 0 BGAARM Cc1ccc(F)cc1-c1ccc(C(=O)[O-])cc1 ZINC000038068162 343368368 /nfs/dbraw/zinc/36/83/68/343368368.db2.gz LVAZOVXWXPBULN-UHFFFAOYSA-N -1 0 230.238 3.499 50 0 BGAARM COc1ccc(-c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000038068174 523134213 /nfs/dbraw/zinc/13/42/13/523134213.db2.gz JZYYQOALFPOLPB-UHFFFAOYSA-N -1 0 246.237 3.200 50 0 BGAARM COc1ccc(-c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000038068175 175032565 /nfs/dbraw/zinc/03/25/65/175032565.db2.gz PSSAAJSOCSSGOZ-UHFFFAOYSA-N -1 0 246.237 3.200 50 0 BGAARM Cc1cc(F)ccc1-c1ccc(C(=O)[O-])cc1 ZINC000038068187 178080712 /nfs/dbraw/zinc/08/07/12/178080712.db2.gz OFOKUKWYWDEYOG-UHFFFAOYSA-N -1 0 230.238 3.499 50 0 BGAARM Cc1cc(F)ccc1-c1cccc(C(=O)[O-])c1 ZINC000038068189 178080815 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230.185 3.112 50 0 BGAARM Cc1ccc(C(F)(F)F)c(CCC(=O)[O-])c1 ZINC000038530009 384087123 /nfs/dbraw/zinc/08/71/23/384087123.db2.gz IWLLHXJQPUHXAU-UHFFFAOYSA-N -1 0 232.201 3.031 50 0 BGAARM O=C([O-])c1cnc2ccc(Cl)cc2c1Cl ZINC000038537470 182590339 /nfs/dbraw/zinc/59/03/39/182590339.db2.gz SBRJDHBAAOFDRX-UHFFFAOYSA-N -1 0 242.061 3.240 50 0 BGAARM O=C([O-])c1cccc(-n2ccc3ccccc32)c1 ZINC000038655439 343378500 /nfs/dbraw/zinc/37/85/00/343378500.db2.gz ZJFUTRBRAQGFBP-UHFFFAOYSA-N -1 0 237.258 3.329 50 0 BGAARM Cc1cccc(-c2ccccc2)c1C(=O)[O-] ZINC000038844210 343379846 /nfs/dbraw/zinc/37/98/46/343379846.db2.gz ZORGKHKVEAHWEJ-UHFFFAOYSA-N -1 0 212.248 3.360 50 0 BGAARM O=C1CCCCC1=C([O-])c1ccc(Cl)cc1 ZINC000038885919 368376385 /nfs/dbraw/zinc/37/63/85/368376385.db2.gz MNCFWYXCYZTXJU-LLVKDONJSA-N -1 0 236.698 3.282 50 0 BGAARM Cc1c2c(ccc1C(=O)[O-])[nH]c1ccccc12 ZINC000039019628 344279160 /nfs/dbraw/zinc/27/91/60/344279160.db2.gz DAYFMHOJXIBBKN-UHFFFAOYSA-N -1 0 225.247 3.328 50 0 BGAARM O=c1c2ccc([O-])cc2occ1C1CCCC1 ZINC000039191753 372900731 /nfs/dbraw/zinc/90/07/31/372900731.db2.gz MNVPXXPOLAQZCO-UHFFFAOYSA-N -1 0 230.263 3.156 50 0 BGAARM O=C([O-])C[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000039202905 384109596 /nfs/dbraw/zinc/10/95/96/384109596.db2.gz AZZZVAUBRCDMFI-VIFPVBQESA-N -1 0 229.279 3.063 50 0 BGAARM O=C([O-])C[C@H]1CCCc2c3ccccc3[nH]c21 ZINC000039202906 384109869 /nfs/dbraw/zinc/10/98/69/384109869.db2.gz AZZZVAUBRCDMFI-SECBINFHSA-N -1 0 229.279 3.063 50 0 BGAARM O=C([O-])C1c2ccccc2C=Cc2ccccc21 ZINC000039240608 322896205 /nfs/dbraw/zinc/89/62/05/322896205.db2.gz OZGGFFQSAWBCBC-UHFFFAOYSA-N -1 0 236.270 3.387 50 0 BGAARM CC(C)(C)c1cc(Cl)c(O)c(C(=O)[O-])c1 ZINC000039247436 322905426 /nfs/dbraw/zinc/90/54/26/322905426.db2.gz MBTYQACKOCVLEB-UHFFFAOYSA-N -1 0 228.675 3.041 50 0 BGAARM Cc1ccc([S-])cc1Br ZINC000039274293 384112043 /nfs/dbraw/zinc/11/20/43/384112043.db2.gz RGGIMPYCVUNPGX-UHFFFAOYSA-N -1 0 203.104 3.046 50 0 BGAARM O=C([O-])/C=C/COc1ccc(Cl)cc1Cl 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CNIJVNGILLYJHJ-UHFFFAOYSA-N -1 0 246.154 3.348 50 0 BGAARM S=c1[n-]c2c(cccc2Cl)s1 ZINC000040434538 343402971 /nfs/dbraw/zinc/40/29/71/343402971.db2.gz MYBFPRUVQGKNIV-UHFFFAOYSA-N -1 0 201.703 3.238 50 0 BGAARM COc1cccc2c3cc(C(=O)[O-])ccc3oc21 ZINC000040449037 357949766 /nfs/dbraw/zinc/94/97/66/357949766.db2.gz XUTGONDOCNYQLE-UHFFFAOYSA-N -1 0 242.230 3.293 50 0 BGAARM O=C([O-])c1ccc2oc3ccc(F)cc3c2c1 ZINC000040449042 357949759 /nfs/dbraw/zinc/94/97/59/357949759.db2.gz HGTXSQJGCDVVMK-UHFFFAOYSA-N -1 0 230.194 3.423 50 0 BGAARM O=C([O-])C(c1cccc(F)c1)c1cccc(F)c1 ZINC000040449055 350364954 /nfs/dbraw/zinc/36/49/54/350364954.db2.gz ZOEITZRWMWCWME-UHFFFAOYSA-N -1 0 248.228 3.181 50 0 BGAARM O=C([O-])c1cc(C2CCCCC2)cs1 ZINC000040449063 350365134 /nfs/dbraw/zinc/36/51/34/350365134.db2.gz HCZCOBGVJBHURZ-UHFFFAOYSA-N -1 0 210.298 3.494 50 0 BGAARM Cc1c(NCC(C)(C)C)cccc1C(=O)[O-] ZINC000041051351 343413875 /nfs/dbraw/zinc/41/38/75/343413875.db2.gz LMHUAURLHAKNDX-UHFFFAOYSA-N -1 0 221.300 3.151 50 0 BGAARM CC(C(=O)C(C)(C)C)=C([O-])c1cccs1 ZINC000041062129 642510015 /nfs/dbraw/zinc/51/00/15/642510015.db2.gz RYRFZLCKTZAFKP-QMMMGPOBSA-N -1 0 224.325 3.182 50 0 BGAARM CC(C(=O)C(C)(C)C)=C([O-])c1cccs1 ZINC000041062130 642509872 /nfs/dbraw/zinc/50/98/72/642509872.db2.gz RYRFZLCKTZAFKP-MRVPVSSYSA-N -1 0 224.325 3.182 50 0 BGAARM CC(C)(C)C(=O)c1ccc([O-])c(Cl)c1 ZINC000041226450 166536803 /nfs/dbraw/zinc/53/68/03/166536803.db2.gz NIJLMTGUNHSAFD-UHFFFAOYSA-N -1 0 212.676 3.274 50 0 BGAARM CCC[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000041226492 388695895 /nfs/dbraw/zinc/69/58/95/388695895.db2.gz TXILIAXAWMMBHD-JTQLQIEISA-N -1 0 212.676 3.308 50 0 BGAARM CCC[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000041226494 388696388 /nfs/dbraw/zinc/69/63/88/388696388.db2.gz TXILIAXAWMMBHD-SNVBAGLBSA-N -1 0 212.676 3.308 50 0 BGAARM CCC[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000041226531 259597029 /nfs/dbraw/zinc/59/70/29/259597029.db2.gz RLXOUELFISPMSF-JTQLQIEISA-N -1 0 212.676 3.308 50 0 BGAARM CCC[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000041226533 259596629 /nfs/dbraw/zinc/59/66/29/259596629.db2.gz RLXOUELFISPMSF-SNVBAGLBSA-N -1 0 212.676 3.308 50 0 BGAARM O=C([O-])C1(Cc2ccccc2)CCCCC1 ZINC000041231232 387268804 /nfs/dbraw/zinc/26/88/04/387268804.db2.gz KIBHWMRCNKMKQJ-UHFFFAOYSA-N -1 0 218.296 3.264 50 0 BGAARM CCc1ccc(-c2ccc(C(=O)[O-])nc2)cc1 ZINC000041248116 343417775 /nfs/dbraw/zinc/41/77/75/343417775.db2.gz OHDVKTLZPWXQQE-UHFFFAOYSA-N -1 0 227.263 3.009 50 0 BGAARM Cc1ccc(-c2ccc(C(=O)[O-])nc2)c(C)c1 ZINC000041248158 178323110 /nfs/dbraw/zinc/32/31/10/178323110.db2.gz XMGLKUXHZFHPPO-UHFFFAOYSA-N -1 0 227.263 3.064 50 0 BGAARM Cc1ccc(-c2cccc(C(=O)[O-])n2)c(C)c1 ZINC000041248162 178326679 /nfs/dbraw/zinc/32/66/79/178326679.db2.gz DAXMWEXZZVTQDV-UHFFFAOYSA-N -1 0 227.263 3.064 50 0 BGAARM O=C([O-])c1ncccc1-c1ccc(Cl)cc1 ZINC000041262118 384185608 /nfs/dbraw/zinc/18/56/08/384185608.db2.gz MAPRHKIAJXCOOQ-UHFFFAOYSA-N -1 0 233.654 3.100 50 0 BGAARM CC(C)(CCCOc1ccc(F)cc1)C(=O)[O-] ZINC000041283514 384184544 /nfs/dbraw/zinc/18/45/44/384184544.db2.gz FHQRYJHOYPEDTR-UHFFFAOYSA-N -1 0 240.274 3.096 50 0 BGAARM COc1cccc(CC2(C(=O)[O-])CCCCC2)c1 ZINC000041300719 175250784 /nfs/dbraw/zinc/25/07/84/175250784.db2.gz VXYMMNBGYFQVTR-UHFFFAOYSA-N -1 0 248.322 3.273 50 0 BGAARM O=C([O-])c1ccc(F)c(-c2cccc(F)c2)c1 ZINC000041660635 343422682 /nfs/dbraw/zinc/42/26/82/343422682.db2.gz LUVPUUPVPKVUQI-UHFFFAOYSA-N -1 0 234.201 3.330 50 0 BGAARM CN(C)c1ccccc1-c1cccc(C(=O)[O-])c1 ZINC000041663294 343422759 /nfs/dbraw/zinc/42/27/59/343422759.db2.gz NFUXGIOHGLAWBS-UHFFFAOYSA-N -1 0 241.290 3.118 50 0 BGAARM O=C([O-])C1(Oc2ccccc2Cl)CCCC1 ZINC000041943276 641547362 /nfs/dbraw/zinc/54/73/62/641547362.db2.gz FEFQPHNXAPSUTB-UHFFFAOYSA-N -1 0 240.686 3.116 50 0 BGAARM Cc1ccc(SC2(C(=O)[O-])CCCC2)cc1 ZINC000041977217 343425972 /nfs/dbraw/zinc/42/59/72/343425972.db2.gz KSYOENLPZJEDKZ-UHFFFAOYSA-N -1 0 236.336 3.485 50 0 BGAARM CCCC(=O)C=C([O-])c1ccc(Cl)cc1 ZINC000042413600 582703391 /nfs/dbraw/zinc/70/33/91/582703391.db2.gz VCEMXPSYVCYQRL-UHFFFAOYSA-N -1 0 224.687 3.282 50 0 BGAARM CCCC(=O)C=C([O-])c1cccc(Cl)c1 ZINC000042413609 582703253 /nfs/dbraw/zinc/70/32/53/582703253.db2.gz SNXWURSCPBXQKT-UHFFFAOYSA-N -1 0 224.687 3.282 50 0 BGAARM O=C([O-])c1cccc(Oc2ccc(Cl)cn2)c1 ZINC000042415483 343437111 /nfs/dbraw/zinc/43/71/11/343437111.db2.gz DRPCBAKPDXAUHG-UHFFFAOYSA-N -1 0 249.653 3.226 50 0 BGAARM O=C([O-])c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000042415616 343437082 /nfs/dbraw/zinc/43/70/82/343437082.db2.gz WIZXILWAOMTBPM-UHFFFAOYSA-N -1 0 249.653 3.226 50 0 BGAARM CC(C)(C)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000042689522 188294648 /nfs/dbraw/zinc/29/46/48/188294648.db2.gz XMGFILMCFURRSS-UHFFFAOYSA-N -1 0 212.676 3.336 50 0 BGAARM CC(C)(C(=O)[O-])c1ccccc1C(F)(F)F ZINC000042784380 343454203 /nfs/dbraw/zinc/45/42/03/343454203.db2.gz APEWWAVAPWECQQ-UHFFFAOYSA-N -1 0 232.201 3.068 50 0 BGAARM CCSc1ccc(Cl)cc1C(=O)[O-] ZINC000042804194 170655543 /nfs/dbraw/zinc/65/55/43/170655543.db2.gz AOUUCNTYVWAIHC-UHFFFAOYSA-N -1 0 216.689 3.150 50 0 BGAARM C=CCCC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000043198655 323236882 /nfs/dbraw/zinc/23/68/82/323236882.db2.gz BKQYHTQHDAFYAB-CQSZACIVSA-N -1 0 218.296 3.385 50 0 BGAARM C=CCCC[C@](C)(C(=O)[O-])c1ccccc1 ZINC000043198656 323236725 /nfs/dbraw/zinc/23/67/25/323236725.db2.gz BKQYHTQHDAFYAB-AWEZNQCLSA-N -1 0 218.296 3.385 50 0 BGAARM C[C@]1(c2ccccc2)CCC=C(C(=O)[O-])C1 ZINC000043198966 323236765 /nfs/dbraw/zinc/23/67/65/323236765.db2.gz BHHHHWHLPNWTEJ-AWEZNQCLSA-N -1 0 216.280 3.139 50 0 BGAARM C[C@@]1(c2ccccc2)CCC=C(C(=O)[O-])C1 ZINC000043198967 323236672 /nfs/dbraw/zinc/23/66/72/323236672.db2.gz BHHHHWHLPNWTEJ-CQSZACIVSA-N -1 0 216.280 3.139 50 0 BGAARM O=C([O-])CCCCCCc1ccsc1 ZINC000043209709 384264011 /nfs/dbraw/zinc/26/40/11/384264011.db2.gz RQAYKEVRCPFCHC-UHFFFAOYSA-N -1 0 212.314 3.326 50 0 BGAARM O=C([O-])CCCCCC(=O)c1cccc(F)c1 ZINC000043212892 384264079 /nfs/dbraw/zinc/26/40/79/384264079.db2.gz LWNQBNHRVXWRPR-UHFFFAOYSA-N -1 0 238.258 3.044 50 0 BGAARM O=C([O-])CCCCCC(=O)C1CCCCC1 ZINC000043214122 384264071 /nfs/dbraw/zinc/26/40/71/384264071.db2.gz KPYUQMVVPZHXIK-UHFFFAOYSA-N -1 0 226.316 3.171 50 0 BGAARM Cc1cc(C)c(C(=O)CCCC(=O)[O-])cc1C ZINC000043214208 384265219 /nfs/dbraw/zinc/26/52/19/384265219.db2.gz BBXPVCIIYHYCKW-UHFFFAOYSA-N -1 0 234.295 3.049 50 0 BGAARM Cc1cc(Cl)ccc1C(=O)CCCC(=O)[O-] ZINC000043214212 178066332 /nfs/dbraw/zinc/06/63/32/178066332.db2.gz VIYQXEXPNQKOBK-UHFFFAOYSA-N -1 0 240.686 3.086 50 0 BGAARM Cc1ccc(C(=O)CCCC(=O)[O-])cc1Cl ZINC000043214213 188295465 /nfs/dbraw/zinc/29/54/65/188295465.db2.gz UZCPLPWXJUCLGS-UHFFFAOYSA-N -1 0 240.686 3.086 50 0 BGAARM CC(C)c1ccc(C(=O)CC(C)(C)C(=O)[O-])cc1 ZINC000043214243 343465996 /nfs/dbraw/zinc/46/59/96/343465996.db2.gz UOSMFEYLKHCLCM-UHFFFAOYSA-N -1 0 248.322 3.494 50 0 BGAARM CC(C)c1ccc(C(=O)C[C@@H](C)CC(=O)[O-])cc1 ZINC000043214244 384265138 /nfs/dbraw/zinc/26/51/38/384265138.db2.gz CLZHUYHQLSYKJV-LLVKDONJSA-N -1 0 248.322 3.494 50 0 BGAARM CC(C)c1ccc(C(=O)C[C@H](C)CC(=O)[O-])cc1 ZINC000043214245 187776940 /nfs/dbraw/zinc/77/69/40/187776940.db2.gz CLZHUYHQLSYKJV-NSHDSACASA-N -1 0 248.322 3.494 50 0 BGAARM CCCc1ccc(C(=O)CC(C)(C)C(=O)[O-])cc1 ZINC000043214251 187267020 /nfs/dbraw/zinc/26/70/20/187267020.db2.gz XAMZZGMQNYFBLN-UHFFFAOYSA-N -1 0 248.322 3.323 50 0 BGAARM CCCc1ccc(C(=O)C[C@@H](C)CC(=O)[O-])cc1 ZINC000043214252 343466517 /nfs/dbraw/zinc/46/65/17/343466517.db2.gz SCSZQJKJOARIJU-LLVKDONJSA-N -1 0 248.322 3.323 50 0 BGAARM CCCc1ccc(C(=O)C[C@H](C)CC(=O)[O-])cc1 ZINC000043214253 190995344 /nfs/dbraw/zinc/99/53/44/190995344.db2.gz SCSZQJKJOARIJU-NSHDSACASA-N -1 0 248.322 3.323 50 0 BGAARM Cc1cc(C)c(C(=O)CC(C)(C)C(=O)[O-])cc1C ZINC000043214260 177839945 /nfs/dbraw/zinc/83/99/45/177839945.db2.gz TWCRRZQEGRWNPS-UHFFFAOYSA-N -1 0 248.322 3.295 50 0 BGAARM Cc1cc(C)c(C(=O)C[C@@H](C)CC(=O)[O-])cc1C ZINC000043214261 384265380 /nfs/dbraw/zinc/26/53/80/384265380.db2.gz NNQUWTSNJPHLNL-SECBINFHSA-N -1 0 248.322 3.295 50 0 BGAARM Cc1cc(C)c(C(=O)C[C@H](C)CC(=O)[O-])cc1C ZINC000043214262 384264479 /nfs/dbraw/zinc/26/44/79/384264479.db2.gz NNQUWTSNJPHLNL-VIFPVBQESA-N -1 0 248.322 3.295 50 0 BGAARM Cc1cc(C)c(C(=O)CC(C)(C)C(=O)[O-])c(C)c1 ZINC000043214263 384263564 /nfs/dbraw/zinc/26/35/64/384263564.db2.gz ZDJUUERWIZTWNC-UHFFFAOYSA-N -1 0 248.322 3.295 50 0 BGAARM Cc1cc(C)c(C(=O)C[C@@H](C)CC(=O)[O-])c(C)c1 ZINC000043214264 384263694 /nfs/dbraw/zinc/26/36/94/384263694.db2.gz IJUODTUTUJVAFV-SNVBAGLBSA-N -1 0 248.322 3.295 50 0 BGAARM Cc1cc(C)c(C(=O)C[C@H](C)CC(=O)[O-])c(C)c1 ZINC000043214265 384264624 /nfs/dbraw/zinc/26/46/24/384264624.db2.gz IJUODTUTUJVAFV-JTQLQIEISA-N -1 0 248.322 3.295 50 0 BGAARM CC(C)(CC(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000043214281 188295920 /nfs/dbraw/zinc/29/59/20/188295920.db2.gz AJIDCWDLXJFWMF-UHFFFAOYSA-N -1 0 246.715 3.085 50 0 BGAARM [O-]n1c(-c2ccccc2)csc1=S ZINC000043214684 356371916 /nfs/dbraw/zinc/37/19/16/356371916.db2.gz ANOKHLGCGJZPNP-UHFFFAOYSA-N -1 0 209.295 3.183 50 0 BGAARM Cc1cc(C(=O)[O-])ccc1-c1ccccc1 ZINC000043502618 177823592 /nfs/dbraw/zinc/82/35/92/177823592.db2.gz ITLWSYAJGXPQSO-UHFFFAOYSA-N -1 0 212.248 3.360 50 0 BGAARM Cc1c(C(=O)[O-])cccc1-c1ccccc1 ZINC000043502620 343475751 /nfs/dbraw/zinc/47/57/51/343475751.db2.gz HOAIMLUVGBVVFZ-UHFFFAOYSA-N -1 0 212.248 3.360 50 0 BGAARM CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000043512210 170855232 /nfs/dbraw/zinc/85/52/32/170855232.db2.gz PKVSFEKOLRXKJL-VIFPVBQESA-N -1 0 246.228 3.359 50 0 BGAARM CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000043512211 171469323 /nfs/dbraw/zinc/46/93/23/171469323.db2.gz PKVSFEKOLRXKJL-SECBINFHSA-N -1 0 246.228 3.359 50 0 BGAARM Cc1ccc(-c2ccc(C(=O)[O-])cc2F)cc1 ZINC000043578246 178322583 /nfs/dbraw/zinc/32/25/83/178322583.db2.gz SWJSUIIEJLICDO-UHFFFAOYSA-N -1 0 230.238 3.499 50 0 BGAARM Cc1ccccc1-c1ccc(C(=O)[O-])cc1F ZINC000043578255 179235494 /nfs/dbraw/zinc/23/54/94/179235494.db2.gz OHTLOVZYMOLAMY-UHFFFAOYSA-N -1 0 230.238 3.499 50 0 BGAARM O=C([O-])c1ccc(-c2ccc(F)cc2)c(F)c1 ZINC000043578256 343477689 /nfs/dbraw/zinc/47/76/89/343477689.db2.gz MQXNAKMJSLMGJT-UHFFFAOYSA-N -1 0 234.201 3.330 50 0 BGAARM COc1ccc(-c2ccc(C(=O)[O-])cc2F)cc1 ZINC000043578259 175032105 /nfs/dbraw/zinc/03/21/05/175032105.db2.gz QKIRDCPNZXELCV-UHFFFAOYSA-N -1 0 246.237 3.200 50 0 BGAARM O=C([O-])/C=C1\CCC[C@@H](c2ccccc2)C1 ZINC000043761125 387274586 /nfs/dbraw/zinc/27/45/86/387274586.db2.gz HOPLUVKUQXCXOB-OCHBPSSRSA-N -1 0 216.280 3.355 50 0 BGAARM O=C([O-])/C=C1\CCC[C@H](c2ccccc2)C1 ZINC000043761126 387273443 /nfs/dbraw/zinc/27/34/43/387273443.db2.gz HOPLUVKUQXCXOB-NHAQELONSA-N -1 0 216.280 3.355 50 0 BGAARM CCC/C(=C\c1ccc(C)cc1)C(=O)[O-] ZINC000043761127 385183116 /nfs/dbraw/zinc/18/31/16/385183116.db2.gz VMUHSRLUGPHAQS-FMIVXFBMSA-N -1 0 204.269 3.263 50 0 BGAARM Cc1ccccc1C(=O)C[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000043879045 179245583 /nfs/dbraw/zinc/24/55/83/179245583.db2.gz QITDSPRZKAIGJU-NWDGAFQWSA-N -1 0 246.306 3.069 50 0 BGAARM Cc1cccc(C(=O)C[C@H]2CC[C@@H](C(=O)[O-])C2)c1 ZINC000043879048 179004573 /nfs/dbraw/zinc/00/45/73/179004573.db2.gz BHYMTDKCLWOLPN-WCQYABFASA-N -1 0 246.306 3.069 50 0 BGAARM Cc1ccc(C(=O)C[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000043879051 187433378 /nfs/dbraw/zinc/43/33/78/187433378.db2.gz BYTVBMWKXJZNBJ-WCQYABFASA-N -1 0 246.306 3.069 50 0 BGAARM Cc1ccccc1C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000043879216 179254050 /nfs/dbraw/zinc/25/40/50/179254050.db2.gz FZGOZGATZZWODF-QWHCGFSZSA-N -1 0 246.306 3.069 50 0 BGAARM Cc1ccccc1C(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000043879233 179253589 /nfs/dbraw/zinc/25/35/89/179253589.db2.gz FZGOZGATZZWODF-CHWSQXEVSA-N -1 0 246.306 3.069 50 0 BGAARM O=C([O-])[C@@H]1CCCC[C@@H]1CC(=O)c1ccccc1 ZINC000043879291 182027393 /nfs/dbraw/zinc/02/73/93/182027393.db2.gz RKPPDKWMENPRKR-CHWSQXEVSA-N -1 0 246.306 3.150 50 0 BGAARM O=C([O-])[C@@H]1CCCC[C@H]1CC(=O)c1ccccc1 ZINC000043879362 182018024 /nfs/dbraw/zinc/01/80/24/182018024.db2.gz RKPPDKWMENPRKR-QWHCGFSZSA-N -1 0 246.306 3.150 50 0 BGAARM O=C([O-])[C@@H]1CCC[C@H](CC(=O)c2ccccc2)C1 ZINC000043879431 182029869 /nfs/dbraw/zinc/02/98/69/182029869.db2.gz PVKLKPBXJCWRBO-WCQYABFASA-N -1 0 246.306 3.150 50 0 BGAARM [S-]c1cc([S-])cc(Br)c1 ZINC000044076153 384312561 /nfs/dbraw/zinc/31/25/61/384312561.db2.gz AHHCKAJHIBGSHJ-UHFFFAOYSA-N -1 0 221.144 3.027 50 0 BGAARM COc1cc(C(=O)[O-])ccc1-c1ccccc1 ZINC000044199435 343495633 /nfs/dbraw/zinc/49/56/33/343495633.db2.gz RZWKYHIPLJQCJV-UHFFFAOYSA-N -1 0 228.247 3.060 50 0 BGAARM COc1cc(-c2ccccc2)ccc1C(=O)[O-] ZINC000044199437 343495472 /nfs/dbraw/zinc/49/54/72/343495472.db2.gz WRDIRXZLYQHBPH-UHFFFAOYSA-N -1 0 228.247 3.060 50 0 BGAARM C/C(=C\c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000044220406 384321217 /nfs/dbraw/zinc/32/12/17/384321217.db2.gz XRMKFXAALTTWIR-AATRIKPKSA-N -1 0 231.078 3.481 50 0 BGAARM O=C([O-])c1ccc(Oc2ccc(Cl)cn2)cc1 ZINC000044381560 343499330 /nfs/dbraw/zinc/49/93/30/343499330.db2.gz YLGCYYLGIDUOMC-UHFFFAOYSA-N -1 0 249.653 3.226 50 0 BGAARM Cc1ccc(-c2cc(C(=O)[O-])cc(Cl)n2)cc1 ZINC000044672197 178319174 /nfs/dbraw/zinc/31/91/74/178319174.db2.gz NVYTZKXBYILOPE-UHFFFAOYSA-N -1 0 247.681 3.409 50 0 BGAARM Cc1ccc2c(C)ccc(C(=O)[O-])c2c1 ZINC000045027567 356372342 /nfs/dbraw/zinc/37/23/42/356372342.db2.gz SXIPWSVCESOPHO-UHFFFAOYSA-N -1 0 200.237 3.155 50 0 BGAARM CC(C)=CC[C@](C)(C(=O)[O-])c1ccccc1 ZINC000045074569 387275896 /nfs/dbraw/zinc/27/58/96/387275896.db2.gz YIFORZCYSLIOCC-AWEZNQCLSA-N -1 0 218.296 3.385 50 0 BGAARM CC(C)=CC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000045074571 387275332 /nfs/dbraw/zinc/27/53/32/387275332.db2.gz YIFORZCYSLIOCC-CQSZACIVSA-N -1 0 218.296 3.385 50 0 BGAARM CC(C)=CC[C@H](C(=O)[O-])c1ccccc1 ZINC000045074586 387275516 /nfs/dbraw/zinc/27/55/16/387275516.db2.gz YLNBMULYXHXMRC-LBPRGKRZSA-N -1 0 204.269 3.211 50 0 BGAARM CC(C)=CC[C@@H](C(=O)[O-])c1ccccc1 ZINC000045074588 387275601 /nfs/dbraw/zinc/27/56/01/387275601.db2.gz YLNBMULYXHXMRC-GFCCVEGCSA-N -1 0 204.269 3.211 50 0 BGAARM 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ZINC000047204153 182556402 /nfs/dbraw/zinc/55/64/02/182556402.db2.gz IMLKBLKBVVRJIG-UHFFFAOYSA-N -1 0 234.201 3.330 50 0 BGAARM O=C([O-])c1cc(F)cc(-c2ccc(F)cc2)c1 ZINC000047204154 343558650 /nfs/dbraw/zinc/55/86/50/343558650.db2.gz AOESPRFGWJYJER-UHFFFAOYSA-N -1 0 234.201 3.330 50 0 BGAARM O=C([O-])c1ccc(-c2ccccc2F)cc1F ZINC000047204155 343558745 /nfs/dbraw/zinc/55/87/45/343558745.db2.gz DVOWJFDWTATFLL-UHFFFAOYSA-N -1 0 234.201 3.330 50 0 BGAARM O=C([O-])c1ccc(-c2ccccc2F)c(F)c1 ZINC000047204156 343558375 /nfs/dbraw/zinc/55/83/75/343558375.db2.gz JHYCFVHKUCPYKB-UHFFFAOYSA-N -1 0 234.201 3.330 50 0 BGAARM O=C([O-])c1cc(-c2ccccc2F)ccc1F ZINC000047204158 343558729 /nfs/dbraw/zinc/55/87/29/343558729.db2.gz YHAAEKUKRQEETK-UHFFFAOYSA-N -1 0 234.201 3.330 50 0 BGAARM COc1cc(C(=O)[O-])cc(-c2cccc(F)c2)c1 ZINC000047204727 343558806 /nfs/dbraw/zinc/55/88/06/343558806.db2.gz BHRXHGVZOOKSKJ-UHFFFAOYSA-N -1 0 246.237 3.200 50 0 BGAARM Cc1cc(C(=O)[O-])ccc1-c1cccc(F)c1 ZINC000047207117 384444991 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ZINC000057536279 384747946 /nfs/dbraw/zinc/74/79/46/384747946.db2.gz DMDKNUMZCRFOPQ-UHFFFAOYSA-N -1 0 247.319 3.172 50 0 BGAARM C/C(=C/C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000058440147 166232028 /nfs/dbraw/zinc/23/20/28/166232028.db2.gz FTSHJZABYZAUAG-SREVYHEPSA-N -1 0 230.185 3.193 50 0 BGAARM CC(C)CC[C@](C)(C(=O)[O-])c1ccccc1 ZINC000059243357 343706664 /nfs/dbraw/zinc/70/66/64/343706664.db2.gz RWVZPQVVGXXBGB-AWEZNQCLSA-N -1 0 220.312 3.465 50 0 BGAARM CC(C)CC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000059243358 166899799 /nfs/dbraw/zinc/89/97/99/166899799.db2.gz RWVZPQVVGXXBGB-CQSZACIVSA-N -1 0 220.312 3.465 50 0 BGAARM O=C([O-])c1cc2c(Cl)ccnc2cc1Cl ZINC000059858077 182559069 /nfs/dbraw/zinc/55/90/69/182559069.db2.gz GVDDNQYAKXRWMG-UHFFFAOYSA-N -1 0 242.061 3.240 50 0 BGAARM COc1cc(-c2ccc(C(=O)[O-])cc2)ccc1F ZINC000059862584 385057807 /nfs/dbraw/zinc/05/78/07/385057807.db2.gz OSKMZVNVGYHUHG-UHFFFAOYSA-N -1 0 246.237 3.200 50 0 BGAARM Nc1ccccc1Sc1ccccc1C(=O)[O-] ZINC000060245504 181757964 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CC(C)C(=O)C=C([O-])c1cccc(Cl)c1 ZINC000070953039 566272888 /nfs/dbraw/zinc/27/28/88/566272888.db2.gz HNAWAPMXRNHGOE-UHFFFAOYSA-N -1 0 224.687 3.138 50 0 BGAARM O=C([O-])c1cc(Cl)c2cc(Cl)ccc2n1 ZINC000071025609 182555178 /nfs/dbraw/zinc/55/51/78/182555178.db2.gz KBYSXQKAWAUVJZ-UHFFFAOYSA-N -1 0 242.061 3.240 50 0 BGAARM Cc1ccc2c(Cl)cc(C(=O)[O-])nc2c1C ZINC000071025644 384147506 /nfs/dbraw/zinc/14/75/06/384147506.db2.gz KEPWFVVUVJSPJC-UHFFFAOYSA-N -1 0 235.670 3.203 50 0 BGAARM O=C([O-])c1cc(Cl)c2cccc(Cl)c2n1 ZINC000071025649 384147512 /nfs/dbraw/zinc/14/75/12/384147512.db2.gz UIDAFLPDLOSYSD-UHFFFAOYSA-N -1 0 242.061 3.240 50 0 BGAARM CC(C)Oc1ccc(C(=O)[O-])cc1C(F)(F)F ZINC000071399153 167291016 /nfs/dbraw/zinc/29/10/16/167291016.db2.gz FMRZLMJTOCTKPU-UHFFFAOYSA-N -1 0 248.200 3.191 50 0 BGAARM COc1ccc(CCC(=O)[O-])cc1C(C)(C)C ZINC000071453415 175088594 /nfs/dbraw/zinc/08/85/94/175088594.db2.gz CRQMMSLWCDPFGI-UHFFFAOYSA-N -1 0 236.311 3.010 50 0 BGAARM CCCC(=O)c1ccc(O)c(C(C)C)c1 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/nfs/dbraw/zinc/16/62/67/171166267.db2.gz JHGYOCKJUCPFNO-ZDUSSCGKSA-N -1 0 206.285 3.120 50 0 BGAARM CC[C@](C)(CCc1ccccc1)C(=O)[O-] ZINC000071773249 384000452 /nfs/dbraw/zinc/00/04/52/384000452.db2.gz JHGYOCKJUCPFNO-CYBMUJFWSA-N -1 0 206.285 3.120 50 0 BGAARM CCCCCc1ccc(C(=O)[O-])cc1C ZINC000071773705 383999613 /nfs/dbraw/zinc/99/96/13/383999613.db2.gz JVPQHWHUAYPTGQ-UHFFFAOYSA-N -1 0 206.285 3.426 50 0 BGAARM CC(C)(CC(=O)[O-])Sc1ccccc1 ZINC000071774215 384683496 /nfs/dbraw/zinc/68/34/96/384683496.db2.gz VXSMJPWCQHZRHI-UHFFFAOYSA-N -1 0 210.298 3.032 50 0 BGAARM O=C([O-])[C@H]1CCCCC[C@H]1C(=O)c1ccccc1 ZINC000071785716 387287802 /nfs/dbraw/zinc/28/78/02/387287802.db2.gz CKCUCVOXCZSVNA-OLZOCXBDSA-N -1 0 246.306 3.150 50 0 BGAARM O=C([O-])CCc1ccccc1-c1ccc(O)cc1 ZINC000071788738 490278085 /nfs/dbraw/zinc/27/80/85/490278085.db2.gz ZJQNVKMDDYKVOR-UHFFFAOYSA-N -1 0 242.274 3.076 50 0 BGAARM Cc1cccc(Br)c1[S-] ZINC000071792188 187788555 /nfs/dbraw/zinc/78/85/55/187788555.db2.gz 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-1 0 247.681 3.409 50 0 BGAARM Cc1cc(-c2cccc(CC(=O)[O-])c2)ccc1F ZINC000074937848 398209780 /nfs/dbraw/zinc/20/97/80/398209780.db2.gz RMAXSBLCFRGNIC-UHFFFAOYSA-N -1 0 244.265 3.428 50 0 BGAARM Cc1nc(Cl)ccc1-c1ccc(C(=O)[O-])cc1 ZINC000074938329 398209682 /nfs/dbraw/zinc/20/96/82/398209682.db2.gz ZFKCUJAPDXTFPW-UHFFFAOYSA-N -1 0 247.681 3.409 50 0 BGAARM CCc1c2ccccc2sc1C(=O)[O-] ZINC000075437981 711440338 /nfs/dbraw/zinc/44/03/38/711440338.db2.gz AZVOTTRTPMDKHP-UHFFFAOYSA-N -1 0 206.266 3.162 50 0 BGAARM O=C([O-])[C@@H](c1ccsc1)C1CCCC1 ZINC000075619876 182506377 /nfs/dbraw/zinc/50/63/77/182506377.db2.gz JPDLAPLLTCRXFL-SNVBAGLBSA-N -1 0 210.298 3.107 50 0 BGAARM O=C([O-])[C@H](c1ccsc1)C1CCCC1 ZINC000075619878 398224169 /nfs/dbraw/zinc/22/41/69/398224169.db2.gz JPDLAPLLTCRXFL-JTQLQIEISA-N -1 0 210.298 3.107 50 0 BGAARM CSc1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000075772038 175572488 /nfs/dbraw/zinc/57/24/88/175572488.db2.gz OLEVMMVZQSLUHP-UHFFFAOYSA-N -1 0 237.107 3.414 50 0 BGAARM O=C([O-])c1c(Cl)nc2ccccc2c1Cl ZINC000075772130 384335170 /nfs/dbraw/zinc/33/51/70/384335170.db2.gz WZYRMTVBRYYAFG-UHFFFAOYSA-N -1 0 242.061 3.240 50 0 BGAARM C[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000075839717 176013451 /nfs/dbraw/zinc/01/34/51/176013451.db2.gz VJWMJAUGDCNVTQ-LURJTMIESA-N -1 0 218.174 3.051 50 0 BGAARM C[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000075839718 177033196 /nfs/dbraw/zinc/03/31/96/177033196.db2.gz VJWMJAUGDCNVTQ-ZCFIWIBFSA-N -1 0 218.174 3.051 50 0 BGAARM O=C([O-])c1c2ccccc2oc1C(F)(F)F ZINC000076677012 711442706 /nfs/dbraw/zinc/44/27/06/711442706.db2.gz QNFIJDBQRKNREL-UHFFFAOYSA-N -1 0 230.141 3.150 50 0 BGAARM O=C([O-])/C=C\c1cc(Cl)ccc1Cl ZINC000077034549 488146937 /nfs/dbraw/zinc/14/69/37/488146937.db2.gz LYYBVUOVYNSRSE-RJRFIUFISA-N -1 0 217.051 3.091 50 0 BGAARM O=C([O-])c1cc(Cl)c2ccc(Cl)cc2n1 ZINC000077255165 182554715 /nfs/dbraw/zinc/55/47/15/182554715.db2.gz OQSZTWNNWKDOGE-UHFFFAOYSA-N -1 0 242.061 3.240 50 0 BGAARM O=C([O-])c1sc(C2CC2)nc1-c1ccccc1 ZINC000078210620 384435211 /nfs/dbraw/zinc/43/52/11/384435211.db2.gz LTEWOOZGTYKUIH-UHFFFAOYSA-N -1 0 245.303 3.386 50 0 BGAARM CCc1cc2c(CC(=O)[O-])csc2s1 ZINC000082293520 171775368 /nfs/dbraw/zinc/77/53/68/171775368.db2.gz PPAPVFABSARLED-UHFFFAOYSA-N -1 0 226.322 3.152 50 0 BGAARM O=C([O-])c1cc(-c2ccccn2)ccc1Cl ZINC000082505821 384688780 /nfs/dbraw/zinc/68/87/80/384688780.db2.gz SNQIOWXZSAAIRD-UHFFFAOYSA-N -1 0 233.654 3.100 50 0 BGAARM Cc1cc(C(C)(C)C)cc(C)c1[S@@](=O)[O-] ZINC000082540507 566410055 /nfs/dbraw/zinc/41/00/55/566410055.db2.gz DVZBKRZSGCEPFL-UHFFFAOYSA-N -1 0 226.341 3.182 50 0 BGAARM O=C([O-])C[C@H](c1ccccc1Cl)n1cccc1 ZINC000082554847 384337296 /nfs/dbraw/zinc/33/72/96/384337296.db2.gz OWTNQCKVRFRRKJ-GFCCVEGCSA-N -1 0 249.697 3.206 50 0 BGAARM O=C([O-])C[C@@H](c1ccccc1Cl)n1cccc1 ZINC000082554848 182476674 /nfs/dbraw/zinc/47/66/74/182476674.db2.gz OWTNQCKVRFRRKJ-LBPRGKRZSA-N -1 0 249.697 3.206 50 0 BGAARM O=C(c1cc(Cl)c([O-])c(Cl)c1)C1CC1 ZINC000082725566 182648805 /nfs/dbraw/zinc/64/88/05/182648805.db2.gz WWBVKDGEFXITJI-UHFFFAOYSA-N -1 0 231.078 3.292 50 0 BGAARM CCC(=O)c1ccc([O-])c(Cl)c1Cl ZINC000083155669 168256213 /nfs/dbraw/zinc/25/62/13/168256213.db2.gz RMXOJYNNVIQETD-UHFFFAOYSA-N -1 0 219.067 3.292 50 0 BGAARM CCC(=O)c1cc(Cl)c([O-])c(Cl)c1 ZINC000083159207 168255187 /nfs/dbraw/zinc/25/51/87/168255187.db2.gz AVFMVBMMOHMFMC-UHFFFAOYSA-N -1 0 219.067 3.292 50 0 BGAARM O=C([O-])C1(c2cccs2)CC2(CCC2)C1 ZINC000083174050 541450843 /nfs/dbraw/zinc/45/08/43/541450843.db2.gz CLBRYTHOJIIEDJ-UHFFFAOYSA-N -1 0 222.309 3.035 50 0 BGAARM CC(C)(C)OC(=O)Nc1ccc([S-])cc1 ZINC000083255319 166670502 /nfs/dbraw/zinc/67/05/02/166670502.db2.gz YYZNFLXZNSOQHP-UHFFFAOYSA-N -1 0 225.313 3.322 50 0 BGAARM O=C([O-])/C=C\c1cc(Cl)ccc1OC(F)F ZINC000083327824 488207738 /nfs/dbraw/zinc/20/77/38/488207738.db2.gz CHRACTNYZGBMOH-RJRFIUFISA-N -1 0 248.612 3.039 50 0 BGAARM O=C([O-])/C=C\c1cc(Cl)cc(Cl)c1 ZINC000083327846 384758476 /nfs/dbraw/zinc/75/84/76/384758476.db2.gz 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IEFNWBGIVYUJAM-UHFFFAOYSA-N -1 0 218.252 3.429 50 0 BGAARM CC(C)c1cc(O)cc(Br)c1 ZINC000095710339 384389557 /nfs/dbraw/zinc/38/95/57/384389557.db2.gz SGAOHCAASRMQOF-UHFFFAOYSA-N -1 0 215.090 3.278 50 0 BGAARM O=C([O-])C1(c2cc(Cl)cc(Cl)c2)CCC1 ZINC000095763501 385224872 /nfs/dbraw/zinc/22/48/72/385224872.db2.gz BITFWQFPCMJDQQ-UHFFFAOYSA-N -1 0 245.105 3.500 50 0 BGAARM Cc1cc(C(=O)[O-])ccc1Oc1ccc(O)cc1 ZINC000095883817 384406097 /nfs/dbraw/zinc/40/60/97/384406097.db2.gz ALBZXJSXXACRPG-UHFFFAOYSA-N -1 0 244.246 3.191 50 0 BGAARM CC1(C)[C@H](/C=C(/Cl)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000095887427 168004885 /nfs/dbraw/zinc/00/48/85/168004885.db2.gz SPVZAYWHHVLPBN-WRLHNVQLSA-N -1 0 242.624 3.028 50 0 BGAARM O=C([O-])/C=C\c1cccc(OC2CCCCC2)c1 ZINC000095911105 182415442 /nfs/dbraw/zinc/41/54/42/182415442.db2.gz RMEREZBDPISWSI-KTKRTIGZSA-N -1 0 246.306 3.496 50 0 BGAARM C/C(=C/c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000095911175 188147513 /nfs/dbraw/zinc/14/75/13/188147513.db2.gz XRMKFXAALTTWIR-WAYWQWQTSA-N -1 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[O-]c1cc(Cl)cc(OC(F)F)c1Cl ZINC000263624659 183258628 /nfs/dbraw/zinc/25/86/28/183258628.db2.gz SKZOWEHJYUTWQT-UHFFFAOYSA-N -1 0 229.009 3.300 50 0 BGAARM O=C([O-])/C=C/c1cc(F)c(Cl)c(Cl)c1 ZINC000263624745 386159054 /nfs/dbraw/zinc/15/90/54/386159054.db2.gz TWBLAWFQCALZHL-OWOJBTEDSA-N -1 0 235.041 3.230 50 0 BGAARM O=C([O-])/C=C/c1cc(F)cc(Cl)c1Cl ZINC000263624761 386159626 /nfs/dbraw/zinc/15/96/26/386159626.db2.gz TZBCXUKHOMDAPJ-OWOJBTEDSA-N -1 0 235.041 3.230 50 0 BGAARM Cc1cc(Cl)c(/C=C/C(=O)[O-])c(Cl)c1 ZINC000263624782 178059853 /nfs/dbraw/zinc/05/98/53/178059853.db2.gz UDCXBPMGPNMNGM-NSCUHMNNSA-N -1 0 231.078 3.400 50 0 BGAARM [O-]c1cc(Br)cc(Cl)c1Cl ZINC000263624855 183256726 /nfs/dbraw/zinc/25/67/26/183256726.db2.gz USLAKFKYMZGLHT-UHFFFAOYSA-N -1 0 241.899 3.462 50 0 BGAARM Cc1cc(Cl)cc(Cl)c1/C=C/C(=O)[O-] ZINC000263624858 386159262 /nfs/dbraw/zinc/15/92/62/386159262.db2.gz UTGVKGFPRWMMLK-NSCUHMNNSA-N -1 0 231.078 3.400 50 0 BGAARM [O-]c1cc(OC(F)F)c(Cl)cc1Cl ZINC000263624959 183261004 /nfs/dbraw/zinc/26/10/04/183261004.db2.gz VOUNTVDNFJRWEG-UHFFFAOYSA-N -1 0 229.009 3.300 50 0 BGAARM O=C([O-])/C=C/c1c(F)cc(Cl)cc1Cl ZINC000263625330 386160365 /nfs/dbraw/zinc/16/03/65/386160365.db2.gz YVODJSIASWEQMF-OWOJBTEDSA-N -1 0 235.041 3.230 50 0 BGAARM O=C([O-])/C=C/c1c(Cl)cc(F)cc1Cl ZINC000263625333 386159797 /nfs/dbraw/zinc/15/97/97/386159797.db2.gz YWHZEYBPFCFUAL-OWOJBTEDSA-N -1 0 235.041 3.230 50 0 BGAARM Cc1c(Cl)ccc(Cl)c1/C=C/C(=O)[O-] ZINC000263625336 386160137 /nfs/dbraw/zinc/16/01/37/386160137.db2.gz YWSOQMRFXACHAL-GORDUTHDSA-N -1 0 231.078 3.400 50 0 BGAARM Cc1ccc(Cl)c(Cl)c1/C=C/C(=O)[O-] ZINC000263625423 386159339 /nfs/dbraw/zinc/15/93/39/386159339.db2.gz ZVSDGISWMHGVOO-HWKANZROSA-N -1 0 231.078 3.400 50 0 BGAARM Cc1ccc(/C=C\c2cc(C(=O)[O-])ccn2)cc1 ZINC000470266991 225055417 /nfs/dbraw/zinc/05/54/17/225055417.db2.gz NMVWYLFJOFXMJE-SREVYHEPSA-N -1 0 239.274 3.259 50 0 BGAARM O=C([O-])c1ccc(/C=C/C2CCCCC2)nc1 ZINC000534585520 386646634 /nfs/dbraw/zinc/64/66/34/386646634.db2.gz RIOACXWVIRQHEH-SOFGYWHQSA-N -1 0 231.295 3.373 50 0 BGAARM O=C([O-])Cc1ccc(/C=C/C2CCCCC2)nc1 ZINC000534676085 323159894 /nfs/dbraw/zinc/15/98/94/323159894.db2.gz YQLDFMHAEKKVLE-SOFGYWHQSA-N -1 0 245.322 3.302 50 0 BGAARM O=C([O-])c1cc2cc(C(F)(F)F)cnc2s1 ZINC000536956021 387169673 /nfs/dbraw/zinc/16/96/73/387169673.db2.gz SUWPXVWIAOAHKU-UHFFFAOYSA-N -1 0 247.197 3.013 50 0 BGAARM Cc1c2occ(CC(=O)[O-])c2ccc1Cl ZINC000585094457 538796463 /nfs/dbraw/zinc/79/64/63/538796463.db2.gz HSBQQGMWZHVUII-UHFFFAOYSA-N -1 0 224.643 3.022 50 0 BGAARM Fc1cc(Br)cc([S-])c1F ZINC000667364244 537875605 /nfs/dbraw/zinc/87/56/05/537875605.db2.gz RTJRESBBFMSVRP-UHFFFAOYSA-N -1 0 225.057 3.016 50 0 BGAARM Cc1onc(-c2sccc2Cl)c1C(=O)[O-] ZINC000675057315 541462924 /nfs/dbraw/zinc/46/29/24/541462924.db2.gz AFNGUVUKHXQTNC-UHFFFAOYSA-N -1 0 243.671 3.063 50 0 BGAARM O=C([O-])c1c(-c2cccs2)noc1C(F)F ZINC000675057391 541463015 /nfs/dbraw/zinc/46/30/15/541463015.db2.gz FSEIOQIAEDPWFF-UHFFFAOYSA-N -1 0 245.206 3.039 50 0 BGAARM CC(C)c1onc(-c2cccs2)c1C(=O)[O-] ZINC000675057528 538479647 /nfs/dbraw/zinc/47/96/47/538479647.db2.gz IDSNPXYNTCLRQT-UHFFFAOYSA-N -1 0 237.280 3.225 50 0 BGAARM Cc1ccc(-c2noc(C(C)C)c2C(=O)[O-])o1 ZINC000675057598 538480266 /nfs/dbraw/zinc/48/02/66/538480266.db2.gz KJXMYXNQPXPMKH-UHFFFAOYSA-N -1 0 235.239 3.065 50 0 BGAARM CCCc1onc(-c2cccs2)c1C(=O)[O-] ZINC000675057813 538481049 /nfs/dbraw/zinc/48/10/49/538481049.db2.gz PUJRXSRGRQGWBI-UHFFFAOYSA-N -1 0 237.280 3.054 50 0 BGAARM O=C([O-])c1c(-c2cccs2)noc1C1CCC1 ZINC000675058175 538481722 /nfs/dbraw/zinc/48/17/22/538481722.db2.gz XPKQCKGZRCIAOT-UHFFFAOYSA-N -1 0 249.291 3.369 50 0 BGAARM CCCCCc1cc(C(=O)[O-])cc(Cl)n1 ZINC000675068081 538495745 /nfs/dbraw/zinc/49/57/45/538495745.db2.gz RXBHXISJFKTOKM-UHFFFAOYSA-N -1 0 227.691 3.166 50 0 BGAARM CC1(C)CCC=C(c2nc(C(=O)[O-])cs2)C1 ZINC000725244876 538000379 /nfs/dbraw/zinc/00/03/79/538000379.db2.gz AVHDJZCLDVNMTL-UHFFFAOYSA-N -1 0 237.324 3.435 50 0 BGAARM Cc1occ(-c2cccc(F)c2)c1C(=O)[O-] ZINC000725246565 538006309 /nfs/dbraw/zinc/00/63/09/538006309.db2.gz PNCSQJRZQDQITP-UHFFFAOYSA-N -1 0 220.199 3.092 50 0 BGAARM CCc1occ(-c2cccc(F)c2)c1C(=O)[O-] ZINC000725246735 538007976 /nfs/dbraw/zinc/00/79/76/538007976.db2.gz UZTMEOXDMJLODO-UHFFFAOYSA-N -1 0 234.226 3.346 50 0 BGAARM Cc1occ(-c2ccc(F)cc2F)c1C(=O)[O-] ZINC000725246761 538008084 /nfs/dbraw/zinc/00/80/84/538008084.db2.gz VYXWVEARFANSNH-UHFFFAOYSA-N -1 0 238.189 3.231 50 0 BGAARM Cc1cc(C=O)ccc1-c1ccc(C(=O)[O-])s1 ZINC000725261243 538086026 /nfs/dbraw/zinc/08/60/26/538086026.db2.gz YPKTXWFJOPZKNF-UHFFFAOYSA-N -1 0 246.287 3.234 50 0 BGAARM O=Cc1cccc(-c2cccc(C(=O)[O-])c2)c1F ZINC000725270331 538102200 /nfs/dbraw/zinc/10/22/00/538102200.db2.gz GXKOZIMKDKXWIN-UHFFFAOYSA-N -1 0 244.221 3.003 50 0 BGAARM O=Cc1ccc(F)c(-c2cccc(C(=O)[O-])c2)c1 ZINC000725270678 538102659 /nfs/dbraw/zinc/10/26/59/538102659.db2.gz PUKDGWHHLPMIAF-UHFFFAOYSA-N -1 0 244.221 3.003 50 0 BGAARM Cc1cc(C=O)ccc1-c1cccc(C(=O)[O-])c1 ZINC000725270976 538103024 /nfs/dbraw/zinc/10/30/24/538103024.db2.gz WLUDKGAOBFPWGR-UHFFFAOYSA-N -1 0 240.258 3.173 50 0 BGAARM O=Cc1cc(F)ccc1-c1cccc(C(=O)[O-])c1 ZINC000725271002 538103080 /nfs/dbraw/zinc/10/30/80/538103080.db2.gz XQWKNMUCUUDKOD-UHFFFAOYSA-N -1 0 244.221 3.003 50 0 BGAARM O=Cc1c(F)cccc1-c1cccc(C(=O)[O-])c1 ZINC000725271092 538103284 /nfs/dbraw/zinc/10/32/84/538103284.db2.gz YVAKEBQGEYBOBX-UHFFFAOYSA-N -1 0 244.221 3.003 50 0 BGAARM Cc1cc(C=O)ccc1-c1ccccc1C(=O)[O-] ZINC000725271981 538103661 /nfs/dbraw/zinc/10/36/61/538103661.db2.gz LBPBEASVBGMQHY-UHFFFAOYSA-N -1 0 240.258 3.173 50 0 BGAARM O=Cc1cccc(-c2ccc(C(=O)[O-])cc2)c1F ZINC000725272384 538104236 /nfs/dbraw/zinc/10/42/36/538104236.db2.gz PUBOJQNOPSWDGZ-UHFFFAOYSA-N -1 0 244.221 3.003 50 0 BGAARM O=Cc1cc(F)ccc1-c1ccccc1C(=O)[O-] ZINC000725272616 538104444 /nfs/dbraw/zinc/10/44/44/538104444.db2.gz SAJRYIVIEWARDM-UHFFFAOYSA-N -1 0 244.221 3.003 50 0 BGAARM O=Cc1ccc(F)c(-c2ccc(C(=O)[O-])cc2)c1 ZINC000725272665 538104385 /nfs/dbraw/zinc/10/43/85/538104385.db2.gz SSZJXKAJTRYMKY-UHFFFAOYSA-N -1 0 244.221 3.003 50 0 BGAARM O=Cc1cc(F)ccc1-c1ccc(C(=O)[O-])cc1 ZINC000725272719 538104333 /nfs/dbraw/zinc/10/43/33/538104333.db2.gz UHQHAZVAFFTTRM-UHFFFAOYSA-N -1 0 244.221 3.003 50 0 BGAARM O=Cc1ccc(F)c(-c2ccccc2C(=O)[O-])c1 ZINC000725272974 541340459 /nfs/dbraw/zinc/34/04/59/541340459.db2.gz WQIYGXGEORDKGC-UHFFFAOYSA-N -1 0 244.221 3.003 50 0 BGAARM O=Cc1c(F)cccc1-c1ccccc1C(=O)[O-] ZINC000725273036 541340319 /nfs/dbraw/zinc/34/03/19/541340319.db2.gz XMAULVNLXXJETD-UHFFFAOYSA-N -1 0 244.221 3.003 50 0 BGAARM O=Cc1cccc(-c2ccccc2C(=O)[O-])c1F ZINC000725273045 538104464 /nfs/dbraw/zinc/10/44/64/538104464.db2.gz XZSZYPQFJPEVSM-UHFFFAOYSA-N -1 0 244.221 3.003 50 0 BGAARM O=Cc1c(F)cccc1-c1ccc(C(=O)[O-])cc1 ZINC000725273158 538104518 /nfs/dbraw/zinc/10/45/18/538104518.db2.gz ZPDXAMPEKFJTSZ-UHFFFAOYSA-N -1 0 244.221 3.003 50 0 BGAARM O=C([O-])c1ccccc1-c1ccnc(C(F)F)c1 ZINC000725273548 541341164 /nfs/dbraw/zinc/34/11/64/541341164.db2.gz KJCSERHKQMMDLX-UHFFFAOYSA-N -1 0 249.216 3.384 50 0 BGAARM O=C([O-])c1ccc(-c2ccnc(C(F)F)c2)cc1 ZINC000725273640 541341286 /nfs/dbraw/zinc/34/12/86/541341286.db2.gz RMRJUKPTOUFNID-UHFFFAOYSA-N -1 0 249.216 3.384 50 0 BGAARM O=C([O-])c1cccc(-c2ccnc(C(F)F)c2)c1 ZINC000725273714 538105052 /nfs/dbraw/zinc/10/50/52/538105052.db2.gz XGFXTFWEULEVNS-UHFFFAOYSA-N -1 0 249.216 3.384 50 0 BGAARM Cc1oc(C(F)(F)F)c(C(=O)[O-])c1C(C)C ZINC000958527590 635551794 /nfs/dbraw/zinc/55/17/94/635551794.db2.gz APUGYPZBKWHINJ-UHFFFAOYSA-N -1 0 236.189 3.428 50 0 BGAARM Cc1oc(C(F)F)c(C(=O)[O-])c1C(C)C ZINC000958527646 644805664 /nfs/dbraw/zinc/80/56/64/644805664.db2.gz CMIDENJWXITZKJ-UHFFFAOYSA-N -1 0 218.199 3.347 50 0 BGAARM Cc1oc(C2CC2)c(C(=O)[O-])c1C(C)C ZINC000958528758 635551582 /nfs/dbraw/zinc/55/15/82/635551582.db2.gz UGONPRONMXBEOS-UHFFFAOYSA-N -1 0 208.257 3.287 50 0 BGAARM