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-])c1cc(Nc2c(Cl)ccc([O-])c2Cl)cc([N+](=O)[O-])c1 ZINC001176680697 1052162986 /nfs/dbraw/zinc/16/29/86/1052162986.db2.gz WASLDHBMHFEIPY-UHFFFAOYSA-N -2 1 343.122 4.049 20 5 EIBDML O=C([O-])c1cc(Nc2cc(Cl)c(Cl)cc2[O-])cc([N+](=O)[O-])c1 ZINC001176678807 1052161153 /nfs/dbraw/zinc/16/11/53/1052161153.db2.gz AKQLRIZJXXWGDU-UHFFFAOYSA-N -2 1 343.122 4.049 20 5 EIBDML O=C([O-])c1ccc(Nc2cc(Cl)c(Cl)cc2[O-])cc1[N+](=O)[O-] ZINC001174507955 1051041208 /nfs/dbraw/zinc/04/12/08/1051041208.db2.gz RZQBWZCKXFBFKM-UHFFFAOYSA-N -2 1 343.122 4.049 20 5 EIBDML O=C([O-])c1ccc(Nc2c(Cl)ccc([O-])c2Cl)cc1[N+](=O)[O-] ZINC001174508424 1051042034 /nfs/dbraw/zinc/04/20/34/1051042034.db2.gz XSKTUQDVJXJDBW-UHFFFAOYSA-N -2 1 343.122 4.049 20 5 EIBDML