pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.22	IUPAC digitized pKa	1	0	Nc1nc(N)c([N+](=O)[O-])c(N)[nH+]1,Nc1nc(N)c([N+](=O)[O-])c([NH3+])n1,Nc1nc([NH3+])nc(N)c1[N+](=O)[O-]	Nc1nc(N)c([N+](=O)[O-])c(N)n1	mol7532	Nc1nc(N)c([N+](=O)[O-])c(N)n1
3.22000002861023	QSARToolbox	1	0	Nc1nc(N)c([N+](=O)[O-])c(N)[nH+]1,Nc1nc(N)c([N+](=O)[O-])c([NH3+])n1,Nc1nc([NH3+])nc(N)c1[N+](=O)[O-]	Nc1nc(N)c([N+](=O)[O-])c(N)n1	mol7532	Nc1nc(N)c([N+](=O)[O-])c(N)n1