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-])CC[C@@H]([NH2+][C@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000026288795 204848114 /nfs/dbraw/zinc/84/81/14/204848114.db2.gz ZAZJCLAKQCRBHJ-KOLCDFICSA-N -2 2 350.283 -0.399 1 0 FBAFLL