smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1[N-]C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])o3)o2)S1 ZINC000038265758 182996669 /nfs/dbraw/zinc/99/66/69/182996669.db2.gz FHOWHRLSXRJEGB-UITAMQMPSA-N -1 1 306.255 2.772 1 5 DFBFMM O=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([O-])c1 ZINC000028871031 182542719 /nfs/dbraw/zinc/54/27/19/182542719.db2.gz GUYJZRAYSUHALL-UHFFFAOYSA-N -1 1 304.214 2.813 1 5 DFBFMM O=c1[n-]nc(Sc2ccc([N+](=O)[O-])s2)n1-c1ccccc1 ZINC000040981309 183154663 /nfs/dbraw/zinc/15/46/63/183154663.db2.gz IBOPBIZKCJUUCG-UHFFFAOYSA-N -1 1 320.355 2.682 1 5 DFBFMM