smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)CN(C[P@](=O)([O-])O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000013910750 581093758 /nfs/dbraw/zinc/09/37/58/581093758.db2.gz IQHFJQXJLKTGJO-KRWDZBQOSA-N -2 1 408.391 2.638 1 0 HFAFML