smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1cccc(CNc2cccc(C(=O)[O-])c2)c1O ZINC000691497881 976359957 /nfs/dbraw/zinc/35/99/57/976359957.db2.gz XEKCJIBDKYWLFL-UHFFFAOYSA-N -1 0 271.316 3.265 10 10 CGCERM O=C([O-])c1cc(-c2ccc3cc(O)c(O)cc3c2)ccc1O ZINC000001642258 368426213 /nfs/dbraw/zinc/42/62/13/368426213.db2.gz KDDWCZCIYASQHC-UHFFFAOYSA-N -1 0 296.278 3.322 10 10 CGCERM CCCCN(C)c1c(F)cc(/C=C/C(=O)[O-])cc1F ZINC000062723131 520432346 /nfs/dbraw/zinc/43/23/46/520432346.db2.gz OTGJVKLXPIROBQ-AATRIKPKSA-N -1 0 269.291 3.299 10 10 CGCERM O=C([O-])c1ccccc1OCCCSc1nccs1 ZINC000062766747 526397293 /nfs/dbraw/zinc/39/72/93/526397293.db2.gz ZRAQVOJNEWAJEV-UHFFFAOYSA-N -1 0 295.385 3.403 10 10 CGCERM COC(=O)c1sc2c(cnc3ccc(C)cc23)c1[O-] ZINC000026508022 368861550 /nfs/dbraw/zinc/86/15/50/368861550.db2.gz TXDJQSFEVOXSLT-UHFFFAOYSA-N -1 0 273.313 3.250 10 10 CGCERM Cc1cc(C(=O)[O-])c(C)n1-c1cccc2cccnc21 ZINC000019276064 170769254 /nfs/dbraw/zinc/76/92/54/170769254.db2.gz YSZNPORGBTZXOK-UHFFFAOYSA-N -1 0 266.300 3.341 10 10 CGCERM O=C([O-])CCCc1ccc(NCc2ccccc2O)cc1 ZINC000026576190 344907678 /nfs/dbraw/zinc/90/76/78/344907678.db2.gz VHEZEZZGONTQPW-UHFFFAOYSA-N -1 0 285.343 3.412 10 10 CGCERM O=C([O-])[C@H]1Nc2ccc(OC(F)(F)F)cc2[C@@H]2C=CC[C@@H]21 ZINC000001087451 304209430 /nfs/dbraw/zinc/20/94/30/304209430.db2.gz AXSHRZCSKZMLCK-PTRXPTGYSA-N -1 0 299.248 3.124 10 10 CGCERM Cc1cc(C(=O)[O-])c(C)n1-c1c(F)cccc1F ZINC000020475967 171219722 /nfs/dbraw/zinc/21/97/22/171219722.db2.gz BZDXWDAHSCLQBE-UHFFFAOYSA-N -1 0 251.232 3.071 10 10 CGCERM Cc1c(Cl)ccc2c1N[C@@H](C(=O)[O-])[C@H]1CC=C[C@@H]21 ZINC000100745600 300957958 /nfs/dbraw/zinc/95/79/58/300957958.db2.gz XFHJYHWLYWRLBP-VYUIOLGVSA-N -1 0 263.724 3.187 10 10 CGCERM CCN(c1c(F)cc(/C=C/C(=O)[O-])cc1F)C(C)C ZINC000062723167 521476349 /nfs/dbraw/zinc/47/63/49/521476349.db2.gz MKWPSOAKGDCRCW-AATRIKPKSA-N -1 0 269.291 3.297 10 10 CGCERM CC(C)Oc1ccc(N(C)CCC(=O)[O-])cc1Cl ZINC000076412897 177020971 /nfs/dbraw/zinc/02/09/71/177020971.db2.gz PZHZKCMDJAWQSM-UHFFFAOYSA-N -1 0 271.744 3.038 10 10 CGCERM [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1COc2ccccc21 ZINC000190959964 375554313 /nfs/dbraw/zinc/55/43/13/375554313.db2.gz PANOEDOIJVQFKI-LBPRGKRZSA-N -1 0 293.725 3.408 10 10 CGCERM O=C1C=Cc2ccccc2C1=NNc1c[nH]c(=O)[nH]c1=O ZINC000256001275 190000840 /nfs/dbraw/zinc/00/08/40/190000840.db2.gz SGSGQBVDCXKLRZ-UHFFFAOYSA-N -1 0 282.259 3.162 10 10 CGCERM Cc1cc(C(=O)[O-])c(C)n1-c1ccc(F)cc1F ZINC000021952824 171340616 /nfs/dbraw/zinc/34/06/16/171340616.db2.gz ZTTLWOAKSSXGMY-UHFFFAOYSA-N -1 0 251.232 3.071 10 10 CGCERM Oc1c(F)cccc1CNc1ccc(N2CCCC2)nc1 ZINC000164965665 331305473 /nfs/dbraw/zinc/30/54/73/331305473.db2.gz SMZHDCSARJRDOQ-UHFFFAOYSA-N -1 0 287.338 3.139 10 10 CGCERM O=C([O-])[C@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@@H]21 ZINC000169294108 304209540 /nfs/dbraw/zinc/20/95/40/304209540.db2.gz AXSHRZCSKZMLCK-AUTRQRHGSA-N -1 0 299.248 3.124 10 10 CGCERM C[C@H]1CCCN(c2ccc(/C=C/C(=O)[O-])cc2F)C1 ZINC000020526970 134732369 /nfs/dbraw/zinc/73/23/69/134732369.db2.gz LDZCTVQVOZPHGJ-ZRQQLDRUSA-N -1 0 263.312 3.160 10 10 CGCERM COC(=O)c1sc2c(cnc3c(C)cccc23)c1[O-] ZINC000045928508 292040982 /nfs/dbraw/zinc/04/09/82/292040982.db2.gz WPRFLQMCDSWXLT-UHFFFAOYSA-N -1 0 273.313 3.250 10 10 CGCERM Cc1cc(C(=O)[O-])c(C)n1-c1ccc(F)c(F)c1F ZINC000019803695 170873168 /nfs/dbraw/zinc/87/31/68/170873168.db2.gz WDPMNGYRVIZRSQ-UHFFFAOYSA-N -1 0 269.222 3.210 10 10 CGCERM Cc1cc(N(C)C2CCCC2)ccc1/C=C/C(=O)[O-] ZINC000050577808 525026189 /nfs/dbraw/zinc/02/61/89/525026189.db2.gz ISEGUURFRVEPBS-CSKARUKUSA-N -1 0 259.349 3.472 10 10 CGCERM Cc1ccc(C)n1-c1ccc(-c2cc(C(=O)[O-])n[nH]2)cc1 ZINC000008413333 170335402 /nfs/dbraw/zinc/33/54/02/170335402.db2.gz RBDPUWLSEVRUNX-UHFFFAOYSA-N -1 0 281.315 3.182 10 10 CGCERM O=S(=O)([O-])c1ccc(N=Nc2ccccc2)cc1 ZINC000012670927 344879830 /nfs/dbraw/zinc/87/98/30/344879830.db2.gz AJMNDPOSKIBVGX-UHFFFAOYSA-N -1 0 262.290 3.349 10 10 CGCERM Cc1cc(/N=N/c2cccc(S(=O)(=O)[O-])c2)ccc1N ZINC000005160108 170072120 /nfs/dbraw/zinc/07/21/20/170072120.db2.gz FBUUCZBKPYYEEE-FOCLMDBBSA-N -1 0 291.332 3.239 10 10 CGCERM O=C(CC1CCCCC1)c1cc(O)c([O-])c([N+](=O)[O-])c1 ZINC000027755199 171531759 /nfs/dbraw/zinc/53/17/59/171531759.db2.gz QBPMNOVMWLFZSG-UHFFFAOYSA-N -1 0 279.292 3.159 10 10 CGCERM COc1cc(C)c(N(C)CCC(=O)[O-])cc1C(C)C ZINC000076372182 177008462 /nfs/dbraw/zinc/00/84/62/177008462.db2.gz SABQBRSJPBZJPA-UHFFFAOYSA-N -1 0 265.353 3.038 10 10 CGCERM O=C([O-])/C=C/c1cc(F)c(N2CCCCC2)c(F)c1 ZINC000062723143 527544107 /nfs/dbraw/zinc/54/41/07/527544107.db2.gz ITQNHHBZOMVGGA-SNAWJCMRSA-N -1 0 267.275 3.053 10 10 CGCERM CCOC(=O)C(=C[O-])c1ccc(Cl)cc1Cl ZINC000584603015 346690438 /nfs/dbraw/zinc/69/04/38/346690438.db2.gz MMRJJFBOKQYEFA-RMKNXTFCSA-N -1 0 261.104 3.455 10 10 CGCERM CCCc1c(O)c(O)c(C(=O)[O-])c2ccc(C)cc21 ZINC000013781254 368666767 /nfs/dbraw/zinc/66/67/67/368666767.db2.gz HJMYCPSZGDHIRL-UHFFFAOYSA-N -1 0 260.289 3.210 10 10 CGCERM O=C([O-])c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1O ZINC000004284390 169953427 /nfs/dbraw/zinc/95/34/27/169953427.db2.gz WQVKXEGGQPAQMP-CCEZHUSRSA-N -1 0 287.231 3.414 10 10 CGCERM Cc1cc(/C=C/C(=O)[O-])c(C)n1-c1ccccc1F ZINC000021952356 171339966 /nfs/dbraw/zinc/33/99/66/171339966.db2.gz HWFOSCAKZABVEL-BQYQJAHWSA-N -1 0 259.280 3.331 10 10 CGCERM CN(Cc1ccsc1)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000035719636 172374506 /nfs/dbraw/zinc/37/45/06/172374506.db2.gz XEWREWUFMAPNPN-QPJJXVBHSA-N -1 0 273.357 3.482 10 10 CGCERM O=C([O-])Cc1nc2ccccc2nc1-c1ccccc1 ZINC000101578470 304024186 /nfs/dbraw/zinc/02/41/86/304024186.db2.gz IFFMGMFMMQVNMM-UVTDQMKNSA-N -1 0 264.284 3.201 10 10 CGCERM Cc1cc(C(=O)[O-])c(C)n1-c1ccc2c(c1)OC(F)(F)O2 ZINC000020549974 171246847 /nfs/dbraw/zinc/24/68/47/171246847.db2.gz SUKICFXQGWQZGZ-UHFFFAOYSA-N -1 0 295.241 3.114 10 10 CGCERM Cc1cc(C(=O)[O-])c(C)n1-c1cc(F)cc(F)c1 ZINC000021951734 171340038 /nfs/dbraw/zinc/34/00/38/171340038.db2.gz CMLPYRWWILNDEO-UHFFFAOYSA-N -1 0 251.232 3.071 10 10 CGCERM CC(C)CN1CCCc2cc(/C=C/C(=O)[O-])ccc21 ZINC000006858896 368570169 /nfs/dbraw/zinc/57/01/69/368570169.db2.gz LNEAKBAVQXAQGV-SOFGYWHQSA-N -1 0 259.349 3.193 10 10 CGCERM CN(C)c1ccc(-c2nc(C3CC3)c(C(=O)[O-])s2)cc1 ZINC000098145834 185694173 /nfs/dbraw/zinc/69/41/73/185694173.db2.gz OECHWEDSEIGZHN-UHFFFAOYSA-N -1 0 288.372 3.452 10 10 CGCERM Cc1cc(/C=C/C(=O)[O-])ccc1N1CCCSCC1 ZINC000050546460 526083478 /nfs/dbraw/zinc/08/34/78/526083478.db2.gz JFUSSRGXDGMBDR-GQCTYLIASA-N -1 0 277.389 3.036 10 10 CGCERM Cc1cc(C(=O)[O-])c(C)n1-c1ccc(F)c(F)c1 ZINC000022174483 171369739 /nfs/dbraw/zinc/36/97/39/171369739.db2.gz JMMHHEJOSRYTGS-UHFFFAOYSA-N -1 0 251.232 3.071 10 10 CGCERM Oc1ccc(Cl)cc1C[NH2+][C@H]1COc2ccccc21 ZINC000070070138 260151404 /nfs/dbraw/zinc/15/14/04/260151404.db2.gz GYTPQXYPNSQQQH-ZDUSSCGKSA-N -1 0 275.735 3.269 10 10 CGCERM O=C(C(=O)c1cc2c(cc1[O-])CCCC2)c1ccccc1 ZINC000144724029 346118750 /nfs/dbraw/zinc/11/87/50/346118750.db2.gz XNGOSTZFQXNRBD-UHFFFAOYSA-N -1 0 280.323 3.337 10 10 CGCERM Cc1cc(C(=O)[O-])c(C)n1-c1ccc2c(c1)CCC2 ZINC000040162402 174197080 /nfs/dbraw/zinc/19/70/80/174197080.db2.gz SDVVWZIVAYZBDG-UHFFFAOYSA-N -1 0 255.317 3.281 10 10 CGCERM Cc1cc(Sc2nccs2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000721041636 978092203 /nfs/dbraw/zinc/09/22/03/978092203.db2.gz AELYNIRJPHLSRK-UHFFFAOYSA-N -1 0 296.329 3.209 10 10 CGCERM C[C@@H]1C[C@H]1CN(C)c1ccc(/C=C/C(=O)[O-])cc1F ZINC000104408335 185990932 /nfs/dbraw/zinc/99/09/32/185990932.db2.gz PLUHGUKTHSISBW-UIALCFJWSA-N -1 0 263.312 3.016 10 10 CGCERM Cc1cc(/C=C/C(=O)[O-])c(C)n1-c1ccc(F)cc1F ZINC000021952937 171340365 /nfs/dbraw/zinc/34/03/65/171340365.db2.gz CLYOITSMNZMSKH-ZZXKWVIFSA-N -1 0 277.270 3.470 10 10 CGCERM COc1cc(-n2c(C)ccc2C)c(Cl)cc1C(=O)[O-] ZINC000035160091 172018427 /nfs/dbraw/zinc/01/84/27/172018427.db2.gz PEGLUVLYZWHJAX-UHFFFAOYSA-N -1 0 279.723 3.454 10 10 CGCERM Cc1c(Cl)ccc2c1N[C@@H](C(=O)[O-])[C@@H]1CC=C[C@@H]21 ZINC000169293647 392610137 /nfs/dbraw/zinc/61/01/37/392610137.db2.gz XFHJYHWLYWRLBP-JRKPZEMJSA-N -1 0 263.724 3.187 10 10 CGCERM C[C@@H]1C[C@@H](C)CN(c2ccc(/C=C/C(=O)[O-])cc2)C1 ZINC000020527086 134732071 /nfs/dbraw/zinc/73/20/71/134732071.db2.gz QPEKYGJPPPSEMV-IURQOMBCSA-N -1 0 259.349 3.267 10 10 CGCERM CC(C)[C@H]1Nc2c(C(=O)[O-])cccc2[C@@H]2C=CC[C@@H]21 ZINC000100879430 280481625 /nfs/dbraw/zinc/48/16/25/280481625.db2.gz PSKHTFSTWOYDKO-UHIISALHSA-N -1 0 257.333 3.495 10 10 CGCERM CC[C@@H](C)N(C)c1c(F)cc(/C=C/C(=O)[O-])cc1F ZINC000062723186 522066356 /nfs/dbraw/zinc/06/63/56/522066356.db2.gz LLSQRIIYGROQTF-VUHVRTRXSA-N -1 0 269.291 3.297 10 10 CGCERM COC(=O)c1sc2c(cnc3c(F)cccc23)c1[O-] ZINC000026508045 368861457 /nfs/dbraw/zinc/86/14/57/368861457.db2.gz YBXYPAWXPNVNSN-UHFFFAOYSA-N -1 0 277.276 3.081 10 10 CGCERM CC[C@H](C)N(C)c1c(F)cc(/C=C/C(=O)[O-])cc1F ZINC000062723188 523924118 /nfs/dbraw/zinc/92/41/18/523924118.db2.gz LLSQRIIYGROQTF-CYNONHLPSA-N -1 0 269.291 3.297 10 10 CGCERM CCCCN1C(=O)[N-]C(=O)C(=Cc2ccc(C)s2)C1=O ZINC000002812141 528451087 /nfs/dbraw/zinc/45/10/87/528451087.db2.gz WVWXZUBFMBZZTC-DHZHZOJOSA-N -1 0 292.360 3.159 10 10 CGCERM [O-]c1c(Cl)cc(Cl)cc1[C@@H](NO)C(F)(F)F ZINC000309208906 346468520 /nfs/dbraw/zinc/46/85/20/346468520.db2.gz FBWZVHCLACHEBA-SSDOTTSWSA-N -1 0 276.041 3.281 10 10 CGCERM O=C([O-])c1cc(NN=C2C=CC(=O)C=C2)ccc1O ZINC000504262817 375653196 /nfs/dbraw/zinc/65/31/96/375653196.db2.gz VHWJQYQMHYGVIE-CCEZHUSRSA-N -1 0 258.233 3.211 10 10 CGCERM Cc1ccc2c(c1)c(C(C)C)c(O)c(O)c2C(=O)[O-] ZINC000006522976 170209296 /nfs/dbraw/zinc/20/92/96/170209296.db2.gz OLCFWQNMCDUEMF-UHFFFAOYSA-N -1 0 260.289 3.381 10 10 CGCERM COc1ccc(N(C)Cc2csc(C(=O)[O-])c2)cc1 ZINC000701726418 977035166 /nfs/dbraw/zinc/03/51/66/977035166.db2.gz VKACCIXGKZOQIZ-UHFFFAOYSA-N -1 0 277.345 3.091 10 10 CGCERM CCCCN(C)c1ccc(/C=C/C(=O)[O-])cc1F ZINC000020527022 171240129 /nfs/dbraw/zinc/24/01/29/171240129.db2.gz HHLXDZIIJUTQGK-SOFGYWHQSA-N -1 0 251.301 3.160 10 10 CGCERM Cc1ccc(Cn2c(C(=O)[O-])cc3cc(O)c(O)cc32)cc1 ZINC000084741190 178923989 /nfs/dbraw/zinc/92/39/89/178923989.db2.gz MDNFKSMUNQDUEM-UHFFFAOYSA-N -1 0 297.310 3.107 10 10 CGCERM Cc1oc(C(=O)[O-])cc1COc1ccc(C)c(C)c1 ZINC000011822311 170444043 /nfs/dbraw/zinc/44/40/43/170444043.db2.gz GCISKNKECNBHSO-UHFFFAOYSA-N -1 0 260.289 3.482 10 10 CGCERM Cc1ccc(C(=O)c2ccccc2)c(N[C@@H](C)C(=O)[O-])c1 ZINC000053070599 369477389 /nfs/dbraw/zinc/47/73/89/369477389.db2.gz JKQZQCXKRZPKCL-LBPRGKRZSA-N -1 0 283.327 3.111 10 10 CGCERM O=c1[nH][n-]c(-c2ccccc2)c1C=CCc1ccccc1 ZINC000090662186 180019230 /nfs/dbraw/zinc/01/92/30/180019230.db2.gz NNBIUTQZCCTKDY-DTQAZKPQSA-N -1 0 276.339 3.080 10 10 CGCERM Cc1cc(/C=C/C(=O)[O-])c(C)n1-c1cccc(F)c1 ZINC000021952411 171340034 /nfs/dbraw/zinc/34/00/34/171340034.db2.gz YRSGJLLJHMFBRZ-VOTSOKGWSA-N -1 0 259.280 3.331 10 10 CGCERM O=C([O-])/C=C/c1ccc(N2CCCCCC2)c(F)c1 ZINC000020526979 171240244 /nfs/dbraw/zinc/24/02/44/171240244.db2.gz CITDYDPXBVBLOC-SOFGYWHQSA-N -1 0 263.312 3.304 10 10 CGCERM CN(C)c1ccc(/C=C(\C(=O)[O-])c2cccs2)cc1 ZINC000037375731 173165375 /nfs/dbraw/zinc/16/53/75/173165375.db2.gz HEPJGVGZAYMDOV-RAXLEYEMSA-N -1 0 273.357 3.439 10 10 CGCERM CC(C)CN(c1ccc(/C=C/C(=O)[O-])cc1)C1CC1 ZINC000042558931 174794949 /nfs/dbraw/zinc/79/49/49/174794949.db2.gz LGYWDRNSRSUXMB-BJMVGYQFSA-N -1 0 259.349 3.409 10 10 CGCERM COC(=O)c1sc2c(cnc3ccc(F)cc23)c1[O-] ZINC000026508050 368861409 /nfs/dbraw/zinc/86/14/09/368861409.db2.gz OMROYLPEVFAZRI-UHFFFAOYSA-N -1 0 277.276 3.081 10 10 CGCERM CCOc1cccc(CNc2ccc(C(=O)[O-])cc2)c1O ZINC000037307704 173111325 /nfs/dbraw/zinc/11/13/25/173111325.db2.gz UJLLQOCRGFPEMV-UHFFFAOYSA-N -1 0 287.315 3.101 10 10 CGCERM CC[C@H]1CCCN1c1ccc(/C=C/C(=O)[O-])cc1F ZINC000037914788 173848660 /nfs/dbraw/zinc/84/86/60/173848660.db2.gz AWMUDGGSOOVNDX-WMADIVHISA-N -1 0 263.312 3.302 10 10 CGCERM Cc1ccc(N[C@@H](C)C(=O)[O-])c(C(=O)c2ccccc2)c1 ZINC000053084364 369478493 /nfs/dbraw/zinc/47/84/93/369478493.db2.gz MDNPVCFICPHKFU-LBPRGKRZSA-N -1 0 283.327 3.111 10 10 CGCERM O=C([O-])[C@H]1Nc2ccc3ccccc3c2[C@@H]2C=CC[C@H]21 ZINC000012318205 304209578 /nfs/dbraw/zinc/20/95/78/304209578.db2.gz GLXGRTQDOFCAAZ-IOASZLSFSA-N -1 0 265.312 3.378 10 10 CGCERM C[C@@H]1CCCN(c2ccc(/C=C/C(=O)[O-])cc2F)C1 ZINC000020526969 134732052 /nfs/dbraw/zinc/73/20/52/134732052.db2.gz LDZCTVQVOZPHGJ-OKPNEXGHSA-N -1 0 263.312 3.160 10 10 CGCERM Cc1cc(C(=O)[O-])ccc1NCc1ccc(N(C)C)cc1 ZINC000020878927 171277552 /nfs/dbraw/zinc/27/75/52/171277552.db2.gz NSFTUJACDDAQLK-UHFFFAOYSA-N -1 0 284.359 3.371 10 10 CGCERM COC(=O)c1sc2ccc(C(F)(F)F)cc2c1[O-] ZINC000059362767 345207412 /nfs/dbraw/zinc/20/74/12/345207412.db2.gz CPPHJOZCNNWMLB-UHFFFAOYSA-N -1 0 276.235 3.412 10 10 CGCERM Cc1cc(C(=O)[O-])ccc1Sc1nccs1 ZINC000054554278 524194720 /nfs/dbraw/zinc/19/47/20/524194720.db2.gz RDSUPYUMOUPARF-UHFFFAOYSA-N -1 0 251.332 3.301 10 10 CGCERM CCOc1ccc(OCc2cc(C(=O)[O-])oc2C)cc1 ZINC000011861200 170449687 /nfs/dbraw/zinc/44/96/87/170449687.db2.gz OQSLJGCLUNJUHF-UHFFFAOYSA-N -1 0 276.288 3.264 10 10 CGCERM [O-]c1c(Cl)cc(Cl)cc1[C@H](NO)C(F)(F)F ZINC000309182229 346468747 /nfs/dbraw/zinc/46/87/47/346468747.db2.gz FBWZVHCLACHEBA-ZETCQYMHSA-N -1 0 276.041 3.281 10 10 CGCERM Cc1ccc(C(=O)c2ccccc2N[C@@H](C)C(=O)[O-])cc1 ZINC000053044970 369476671 /nfs/dbraw/zinc/47/66/71/369476671.db2.gz LCIXUZWIFRQNCP-LBPRGKRZSA-N -1 0 283.327 3.111 10 10 CGCERM Cc1cc(/C=C/C(=O)[O-])c(C)n1-c1ccc(F)cc1 ZINC000021953234 171340414 /nfs/dbraw/zinc/34/04/14/171340414.db2.gz HFPDNPBGCKTWFR-FPYGCLRLSA-N -1 0 259.280 3.331 10 10 CGCERM O=c1cc(-c2ccccc2)sc2cc([O-])c(O)cc12 ZINC000013604210 368659129 /nfs/dbraw/zinc/65/91/29/368659129.db2.gz BHHOFNJMOMYBMU-UHFFFAOYSA-N -1 0 270.309 3.340 10 10 CGCERM CCc1nc(-c2ccc(N(C)C)cc2)sc1C(=O)[O-] ZINC000041414739 174549984 /nfs/dbraw/zinc/54/99/84/174549984.db2.gz QZHCVSXDZSSRHE-UHFFFAOYSA-N -1 0 276.361 3.137 10 10 CGCERM Cc1c2c(cc([O-])c1Cl)C(=O)C1(CCCC1)C2=O ZINC000584651619 346704955 /nfs/dbraw/zinc/70/49/55/346704955.db2.gz GCQQHCJINIJWRT-UHFFFAOYSA-N -1 0 264.708 3.293 10 10 CGCERM O=C(Cc1cc(O)c(O)cc1Cl)OCc1ccccc1 ZINC000211803534 376134566 /nfs/dbraw/zinc/13/45/66/376134566.db2.gz VQROFARSXWQNIX-UHFFFAOYSA-N -1 0 292.718 3.037 10 10 CGCERM Cc1ccc(C(=O)[O-])cc1NCc1ccccc1O ZINC000037087531 172945230 /nfs/dbraw/zinc/94/52/30/172945230.db2.gz LJDVKVJUOONWCF-UHFFFAOYSA-N -1 0 257.289 3.011 10 10 CGCERM CC(C)([NH2+]Cc1cccc(F)c1[O-])c1nccs1 ZINC000226608872 376366210 /nfs/dbraw/zinc/36/62/10/376366210.db2.gz NSSTZCWTXDNOMM-UHFFFAOYSA-N -1 0 266.341 3.013 10 10 CGCERM CN(Cc1cccs1)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000035718112 172372221 /nfs/dbraw/zinc/37/22/21/172372221.db2.gz RJJNSPYRTCWYFZ-RMKNXTFCSA-N -1 0 273.357 3.482 10 10 CGCERM Cc1ccc(CSc2nccs2)cc1C(=O)[O-] ZINC000701827962 977046319 /nfs/dbraw/zinc/04/63/19/977046319.db2.gz SRTXEPGCUXYNES-UHFFFAOYSA-N -1 0 265.359 3.442 10 10 CGCERM O=C([O-])c1cc(-c2ccc3c(ccc(O)c3O)c2)ccc1O ZINC000001642259 368426326 /nfs/dbraw/zinc/42/63/26/368426326.db2.gz QJRMBVHUIFAURR-UHFFFAOYSA-N -1 0 296.278 3.322 10 10 CGCERM CCCCN1CCCc2cc(/C=C/C(=O)[O-])ccc21 ZINC000006868971 368570910 /nfs/dbraw/zinc/57/09/10/368570910.db2.gz VXDBVZPALWEOBU-VQHVLOKHSA-N -1 0 259.349 3.337 10 10 CGCERM Oc1ccc(Cl)cc1C[NH2+][C@@H]1COc2ccccc21 ZINC000070070137 260151345 /nfs/dbraw/zinc/15/13/45/260151345.db2.gz GYTPQXYPNSQQQH-CYBMUJFWSA-N -1 0 275.735 3.269 10 10 CGCERM O=C([O-])c1csc(CSc2nccs2)c1 ZINC000711390562 977541278 /nfs/dbraw/zinc/54/12/78/977541278.db2.gz TZBGRVFMKMEZEK-UHFFFAOYSA-N -1 0 257.361 3.195 10 10 CGCERM CCOC(=O)c1sc(-c2cccs2)cc1[O-] ZINC000259879046 346401801 /nfs/dbraw/zinc/40/18/01/346401801.db2.gz AJRNFZCMEVKHLK-UHFFFAOYSA-N -1 0 254.332 3.359 10 10 CGCERM CN(C)c1ccc(CNc2ccc(C(=O)[O-])cc2)cc1 ZINC000000506010 368381049 /nfs/dbraw/zinc/38/10/49/368381049.db2.gz KDDYENFMCGNNJZ-UHFFFAOYSA-N -1 0 270.332 3.063 10 10 CGCERM