pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.58	IUPAC digitized pKa	1	0	Nc1ncc([N+](=O)[O-])c([NH3+])n1,Nc1nc([NH3+])ncc1[N+](=O)[O-],Nc1ncc([N+](=O)[O-])c(N)[nH+]1,Nc1nc(N)c([N+](=O)[O-])c[nH+]1	Nc1ncc([N+](=O)[O-])c(N)n1	mol7310	Nc1ncc([N+](=O)[O-])c(N)n1
2.57999992370605	QSARToolbox	1	0	Nc1ncc([N+](=O)[O-])c([NH3+])n1,Nc1nc([NH3+])ncc1[N+](=O)[O-],Nc1ncc([N+](=O)[O-])c(N)[nH+]1,Nc1nc(N)c([N+](=O)[O-])c[nH+]1	Nc1ncc([N+](=O)[O-])c(N)n1	mol7310	Nc1ncc([N+](=O)[O-])c(N)n1