smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCC(=O)c1ccc([O-])cc1 ZINC000002163637 519985629 /nfs/dbraw/zinc/98/56/29/519985629.db2.gz LQWPEACAJAMZQF-UHFFFAOYSA-N -1 1 276.420 5.496 50 30 CKEAMM