smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)c1cc2cc(/C=C/C(=O)[O-])c([O-])cc2o1 ZINC000000296249 342682563 /nfs/dbraw/zinc/68/25/63/342682563.db2.gz LJDWGBJXUFJLRC-ONEGZZNKSA-N -2 3 246.262 3.360 50 0 BGAAHL O=C([O-])/C(=C\c1ccc([O-])cc1)c1ccccc1 ZINC000000330034 383853929 /nfs/dbraw/zinc/85/39/29/383853929.db2.gz GAXUWNPJYOWVDR-UVTDQMKNSA-N -2 3 240.258 3.017 50 0 BGAAHL Cc1oc2c(cc([O-])c3ccccc23)c1C(=O)[O-] ZINC000003656841 342736061 /nfs/dbraw/zinc/73/60/61/342736061.db2.gz KWWOZAUJADMVLR-UHFFFAOYSA-N -2 3 242.230 3.298 50 0 BGAAHL