pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.0	OCHEM	0	-1	Nc1ccc(O)cc1[N+](=O)[O-]	Nc1ccc([O-])cc1[N+](=O)[O-]	mol6048	Nc1ccc(O)cc1[N+](=O)[O-]
9.39999961853027	QSARToolbox	0	-1	Nc1ccc(O)cc1[N+](=O)[O-]	Nc1ccc([O-])cc1[N+](=O)[O-]	mol6048	Nc1ccc(O)cc1[N+](=O)[O-]
9.04	AttenGpKa training set	0	-1	Nc1ccc(O)cc1[N+](=O)[O-]	Nc1ccc([O-])cc1[N+](=O)[O-]	mol6048	Nc1ccc(O)cc1[N+](=O)[O-]
1.20000004768372	QSARToolbox	1	0	[NH3+]c1ccc(O)cc1[N+](=O)[O-]	Nc1ccc(O)cc1[N+](=O)[O-]	mol6048	Nc1ccc(O)cc1[N+](=O)[O-]
1.2	AttenGpKa training set	1	0	[NH3+]c1ccc(O)cc1[N+](=O)[O-]	Nc1ccc(O)cc1[N+](=O)[O-]	mol6048	Nc1ccc(O)cc1[N+](=O)[O-]