pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.96	Datawarrior	1	0	[NH3+]OCc1ccc([N+](=O)[O-])cc1	NOCc1ccc([N+](=O)[O-])cc1	mol12628	NOCc1ccc([N+](=O)[O-])cc1
3.96000003814697	QSARToolbox	1	0	[NH3+]OCc1ccc([N+](=O)[O-])cc1	NOCc1ccc([N+](=O)[O-])cc1	mol12628	NOCc1ccc([N+](=O)[O-])cc1