pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.90000009536743	QSARToolbox	-1	-2	O=[N+]([O-])c1ccc([O-])c2c1-c1c([N+](=O)[O-])ccc(O)c1-2	O=[N+]([O-])c1ccc([O-])c2c1-c1c([N+](=O)[O-])ccc([O-])c1-2	mol30854	O=[N+]([O-])c1ccc(O)c2c1-c1c([N+](=O)[O-])ccc(O)c1-2
5.59999990463257	QSARToolbox	-1	-2	O=[N+]([O-])c1ccc([O-])c2c1-c1c([N+](=O)[O-])ccc(O)c1-2	O=[N+]([O-])c1ccc([O-])c2c1-c1c([N+](=O)[O-])ccc([O-])c1-2	mol30854	O=[N+]([O-])c1ccc(O)c2c1-c1c([N+](=O)[O-])ccc(O)c1-2
8.54	AttenGpKa training set	-1	-2	O=[N+]([O-])c1ccc([O-])c2c1-c1c([N+](=O)[O-])ccc(O)c1-2	O=[N+]([O-])c1ccc([O-])c2c1-c1c([N+](=O)[O-])ccc([O-])c1-2	mol30854	O=[N+]([O-])c1ccc(O)c2c1-c1c([N+](=O)[O-])ccc(O)c1-2
5.6	AttenGpKa training set	-1	-2	O=[N+]([O-])c1ccc([O-])c2c1-c1c([N+](=O)[O-])ccc(O)c1-2	O=[N+]([O-])c1ccc([O-])c2c1-c1c([N+](=O)[O-])ccc([O-])c1-2	mol30854	O=[N+]([O-])c1ccc(O)c2c1-c1c([N+](=O)[O-])ccc(O)c1-2