pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.98	IUPAC digitized pKa	1	0	Cc1cnc([NH3+])c([N+](=O)[O-])c1,Cc1c[nH+]c(N)c([N+](=O)[O-])c1	Cc1cnc(N)c([N+](=O)[O-])c1	mol1596	Cc1cnc(N)c([N+](=O)[O-])c1
2.98000001907349	QSARToolbox	1	0	Cc1cnc([NH3+])c([N+](=O)[O-])c1,Cc1c[nH+]c(N)c([N+](=O)[O-])c1	Cc1cnc(N)c([N+](=O)[O-])c1	mol1596	Cc1cnc(N)c([N+](=O)[O-])c1