smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1oc2cc([O-])ccc2cc1-c1ccc([O-])c(O)c1 ZINC000038778467 174155519 /nfs/dbraw/zinc/15/55/19/174155519.db2.gz YASVZYJJTIRXLS-UHFFFAOYSA-N -2 3 270.240 2.577 1 10 CFCFHL