pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.52	IUPAC digitized pKa	0	-1	CN(C)c1nc(O)c([N+](=O)[O-])c(N(C)C)n1	CN(C)c1nc([O-])c([N+](=O)[O-])c(N(C)C)n1	mol7140	CN(C)c1nc(O)c([N+](=O)[O-])c(N(C)C)n1
-1.59	IUPAC digitized pKa	2	1	C[NH+](C)c1nc([O-])c([N+](=O)[O-])c([NH+](C)C)[nH+]1,CN(C)c1nc(O)c([N+](=O)[O-])c([NH+](C)C)[nH+]1	CN(C)c1nc(N(C)C)c([N+](=O)[O-])c(O)[nH+]1,CN(C)c1nc(O)c([N+](=O)[O-])c(N(C)C)[nH+]1,CN(C)c1nc(O)c([N+](=O)[O-])c([NH+](C)C)n1,CN(C)c1nc([NH+](C)C)nc(O)c1[N+](=O)[O-]	mol7140	CN(C)c1nc(O)c([N+](=O)[O-])c(N(C)C)n1