smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[n-]nc(S(=O)(=O)CC(=O)[O-])c1[N+](=O)[O-] ZINC000004243865 386107356 /nfs/dbraw/zinc/10/73/56/386107356.db2.gz KCMHDTRAOLODSK-UHFFFAOYSA-N -2 3 249.204 -0.515 50 5 BBBAHL O=C([O-])c1c[n-]c(=O)c([N+](=O)[O-])c1[O-] ZINC000004339082 342746911 /nfs/dbraw/zinc/74/69/11/342746911.db2.gz QJWDJGWGMBFKGA-UHFFFAOYSA-N -3 3 200.106 -0.313 50 5 BBBAHL