pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.61	Datawarrior	1	0	[NH3+]c1ncc([N+](=O)[O-])s1,Nc1[nH+]cc([N+](=O)[O-])s1	Nc1ncc([N+](=O)[O-])s1	mol13679	Nc1ncc([N+](=O)[O-])s1
0.61000001	OCHEM	1	0	[NH3+]c1ncc([N+](=O)[O-])s1,Nc1[nH+]cc([N+](=O)[O-])s1	Nc1ncc([N+](=O)[O-])s1	mol13679	Nc1ncc([N+](=O)[O-])s1
0.610000014305115	QSARToolbox	1	0	[NH3+]c1ncc([N+](=O)[O-])s1,Nc1[nH+]cc([N+](=O)[O-])s1	Nc1ncc([N+](=O)[O-])s1	mol13679	Nc1ncc([N+](=O)[O-])s1