pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.65	IUPAC digitized pKa	1	0	NNc1ncnc([NH3+])c1[N+](=O)[O-],NNc1[nH+]cnc(N)c1[N+](=O)[O-],N[NH2+]c1ncnc(N)c1[N+](=O)[O-],NNc1nc[nH+]c(N)c1[N+](=O)[O-]	NNc1ncnc(N)c1[N+](=O)[O-]	mol7076	NNc1ncnc(N)c1[N+](=O)[O-]
3.65000009536743	QSARToolbox	1	0	NNc1ncnc([NH3+])c1[N+](=O)[O-],NNc1[nH+]cnc(N)c1[N+](=O)[O-],N[NH2+]c1ncnc(N)c1[N+](=O)[O-],NNc1nc[nH+]c(N)c1[N+](=O)[O-]	NNc1ncnc(N)c1[N+](=O)[O-]	mol7076	NNc1ncnc(N)c1[N+](=O)[O-]