pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.1	IUPAC digitized pKa	0	-1	Cn1c(=O)c2nc(C(=O)O)c(=O)[nH]c2n(C)c1=O	Cn1c(=O)c2nc(C(=O)[O-])c(=O)[nH]c2n(C)c1=O	mol10976	Cn1c(=O)c2nc(C(=O)O)c(=O)[nH]c2n(C)c1=O
2.09999990463257	QSARToolbox	0	-1	Cn1c(=O)c2nc(C(=O)O)c(=O)[nH]c2n(C)c1=O	Cn1c(=O)c2nc(C(=O)[O-])c(=O)[nH]c2n(C)c1=O	mol10976	Cn1c(=O)c2nc(C(=O)O)c(=O)[nH]c2n(C)c1=O
6.3	IUPAC digitized pKa	-1	-2	Cn1c(=O)c2nc(C(=O)[O-])c(=O)[nH]c2n(C)c1=O	Cn1c(=O)c2nc(C(=O)[O-])c(=O)[n-]c2n(C)c1=O	mol10976	Cn1c(=O)c2nc(C(=O)O)c(=O)[nH]c2n(C)c1=O