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-])CC[N@H+]1C[C@@]2([N+](=O)[O-])C=C(C(=O)[O-])C[C@@]([N+](=O)[O-])(C1)C2 ZINC000034746972 304052936 /nfs/dbraw/zinc/05/29/36/304052936.db2.gz RIBPABKPZZQQSZ-NEPJUHHUSA-N -1 2 329.265 -0.388 50 5 EBBALM O=C([O-])CC[N@@H+]1C[C@@]2([N+](=O)[O-])C=C(C(=O)[O-])C[C@@]([N+](=O)[O-])(C1)C2 ZINC000034746972 304052939 /nfs/dbraw/zinc/05/29/39/304052939.db2.gz RIBPABKPZZQQSZ-NEPJUHHUSA-N -1 2 329.265 -0.388 50 5 EBBALM