pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.03	IUPAC digitized pKa	1	0	Cc1nc(N)c([N+](=O)[O-])c([NH2+]N)n1,Cc1nc(NN)c([N+](=O)[O-])c(N)[nH+]1,Cc1nc([NH3+])c([N+](=O)[O-])c(NN)n1,Cc1nc(N)c([N+](=O)[O-])c(NN)[nH+]1	Cc1nc(N)c([N+](=O)[O-])c(NN)n1	mol7075	Cc1nc(N)c([N+](=O)[O-])c(NN)n1
4.30000019073486	QSARToolbox	1	0	Cc1nc(N)c([N+](=O)[O-])c([NH2+]N)n1,Cc1nc(NN)c([N+](=O)[O-])c(N)[nH+]1,Cc1nc([NH3+])c([N+](=O)[O-])c(NN)n1,Cc1nc(N)c([N+](=O)[O-])c(NN)[nH+]1	Cc1nc(N)c([N+](=O)[O-])c(NN)n1	mol7075	Cc1nc(N)c([N+](=O)[O-])c(NN)n1