smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1sc2c(c1Cl)c([O-])ccc2Cl ZINC000228954584 570251559 /nfs/dbraw/zinc/25/15/59/570251559.db2.gz FDJGCVAZFNBUBT-UHFFFAOYSA-N -2 1 263.101 3.612 40 0 CHABML Cc1ccc([S-])c(C([O-])(C(F)(F)F)C(F)(F)F)c1 ZINC000001559255 566986463 /nfs/dbraw/zinc/98/64/63/566986463.db2.gz HFCVFXFBFNGDDU-UHFFFAOYSA-N -2 1 290.228 3.596 40 0 CHABML O=C(c1ccc([O-])cc1)c1cc(Cl)cc(Cl)c1[O-] ZINC000002573866 1120657775 /nfs/dbraw/zinc/65/77/75/1120657775.db2.gz TWJURVSZFBSVAB-UHFFFAOYSA-N -2 1 283.110 3.636 40 0 CHABML Cc1cc([O-])c(C(=O)C=C([O-])c2ccccc2)cc1Cl ZINC000100083450 567912141 /nfs/dbraw/zinc/91/21/41/567912141.db2.gz XNOUEBNIOPXNAO-UHFFFAOYSA-N -2 1 288.730 3.810 40 0 CHABML