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[C@@H](O)[C@H](O)[C@@H](O)COP(=O)([O-])[O-] ZINC000001532855 560181858 /nfs/dbraw/zinc/18/18/58/560181858.db2.gz PPQRONHOSHZGFQ-WISUUJSJSA-N -2 0 230.109 -2.623 1 30 in-vitro BAEFRL O=C[C@@H](O)[C@@H](O)[C@H](O)COP(=O)([O-])[O-] ZINC000003869427 560190501 /nfs/dbraw/zinc/19/05/01/560190501.db2.gz PPQRONHOSHZGFQ-UOWFLXDJSA-N -2 0 230.109 -2.623 1 30 in-vitro BAEFRL