pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.0	IUPAC digitized pKa	0	-1	Cn1c(=O)ncc2[nH]c(O)nc21	Cn1c(=O)ncc2[nH]c([O-])nc21,Cn1c(=O)ncc2[n-]c(O)nc21	mol4867	Cn1c(=O)ncc2[nH]c(O)nc21
8.39000034332275	QSARToolbox	0	-1	Cn1c(=O)ncc2[nH]c(O)nc21	Cn1c(=O)ncc2[nH]c([O-])nc21,Cn1c(=O)ncc2[n-]c(O)nc21	mol4867	Cn1c(=O)ncc2[nH]c(O)nc21
1.25	IUPAC digitized pKa	1	0	Cn1c(=O)[nH+]cc2[nH]c(O)nc21,Cn1c(=O)ncc2[nH]c(O)[nH+]c21	Cn1c(=O)ncc2[nH]c(O)nc21	mol4867	Cn1c(=O)ncc2[nH]c(O)nc21
13.0	IUPAC digitized pKa	-1	-2	Cn1c(=O)ncc2[nH]c([O-])nc21,Cn1c(=O)ncc2[n-]c(O)nc21	Cn1c(=O)ncc2[n-]c([O-])nc21	mol4867	Cn1c(=O)ncc2[nH]c(O)nc21