smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=O)[C@H](CO)NC(=O)c1cccc(O)c1[O-] ZINC000804356103 586393073 /nfs/dbraw/zinc/39/30/73/586393073.db2.gz ABXYILNGSRWQAR-LURJTMIESA-N -1 3 240.215 -1.326 20 10 BACDHM