smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#C/C(=C/c1ccc(C(=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000035384906 948807942 /nfs/dbraw/zinc/80/79/42/948807942.db2.gz MNWMWZCCXWDTNH-ZROIWOOFSA-N -1 0 294.266 3.357 40 50 CGGBRM