pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.39	IUPAC digitized pKa	1	0	N[NH2+]c1cccc([N+](=O)[O-])c1,[NH3+]Nc1cccc([N+](=O)[O-])c1	NNc1cccc([N+](=O)[O-])c1	mol8875	NNc1cccc([N+](=O)[O-])c1
4.36	IUPAC digitized pKa	1	0	N[NH2+]c1cccc([N+](=O)[O-])c1,[NH3+]Nc1cccc([N+](=O)[O-])c1	NNc1cccc([N+](=O)[O-])c1	mol8875	NNc1cccc([N+](=O)[O-])c1
4.375	OCHEM	1	0	N[NH2+]c1cccc([N+](=O)[O-])c1,[NH3+]Nc1cccc([N+](=O)[O-])c1	NNc1cccc([N+](=O)[O-])c1	mol8875	NNc1cccc([N+](=O)[O-])c1
4.3899998664856	QSARToolbox	1	0	N[NH2+]c1cccc([N+](=O)[O-])c1,[NH3+]Nc1cccc([N+](=O)[O-])c1	NNc1cccc([N+](=O)[O-])c1	mol8875	NNc1cccc([N+](=O)[O-])c1
4.3600001335144	QSARToolbox	1	0	N[NH2+]c1cccc([N+](=O)[O-])c1,[NH3+]Nc1cccc([N+](=O)[O-])c1	NNc1cccc([N+](=O)[O-])c1	mol8875	NNc1cccc([N+](=O)[O-])c1