smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NNC(=O)C=P([O-])(c1ccccc1)c1ccccc1 ZINC000000001489 871372741 /nfs/dbraw/zinc/37/27/41/871372741.db2.gz PMHFLBQRALFMRT-UHFFFAOYSA-N -1 1 274.260 0.990 50 50 in-man CCGAMM