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-])C[NH+](CCOC(=O)c1ccc([N+](=O)[O-])cc1)CC(=O)[O-] ZINC000090694897 201373225 /nfs/dbraw/zinc/37/32/25/201373225.db2.gz HKWOTMOYJLFVAI-UHFFFAOYSA-N -1 2 326.261 0.223 10 5 ECBELM