pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.38	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1ccc(Nc2ccc([N+](=O)[O-])cc2)cc1	Nc1ccc(Nc2ccc([N+](=O)[O-])cc2)cc1	mol21801	Nc1ccc(Nc2ccc([N+](=O)[O-])cc2)cc1
4.38000011444092	QSARToolbox	1	0	[NH3+]c1ccc(Nc2ccc([N+](=O)[O-])cc2)cc1	Nc1ccc(Nc2ccc([N+](=O)[O-])cc2)cc1	mol21801	Nc1ccc(Nc2ccc([N+](=O)[O-])cc2)cc1