smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N[P@](=O)([O-])OP(=O)([O-])[O-] 301054531 351899308 /nfs/dbraw/zinc/89/93/08/351899308.db2.gz AWCLSMOLDVSOGM-UHFFFAOYSA-N -3 1 176.989 -0.395 1 0 in-vitro ABAFML