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([O-])c1ccc([N+](=O)[O-])cc1[P@](=O)([O-])O ZINC000001870296 187364763 /nfs/dbraw/zinc/36/47/63/187364763.db2.gz PFWUFGANONPVGT-UHFFFAOYSA-N -2 2 247.099 0.096 50 5 in-vitro BCBALL O=C([O-])c1ccc([N+](=O)[O-])cc1[P@@](=O)([O-])O ZINC000001870296 187364765 /nfs/dbraw/zinc/36/47/65/187364765.db2.gz PFWUFGANONPVGT-UHFFFAOYSA-N -2 2 247.099 0.096 50 5 in-vitro BCBALL