pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.5	IUPAC digitized pKa	0	-1	Cn1c(O)nc2cnc(O)nc21	Cn1c(O)nc2cnc([O-])nc21,Cn1c([O-])nc2cnc(O)nc21	mol4874	Cn1c(O)nc2cnc(O)nc21
8.74	IUPAC digitized pKa	0	-1	Cn1c(O)nc2cnc(O)nc21	Cn1c(O)nc2cnc([O-])nc21,Cn1c([O-])nc2cnc(O)nc21	mol4874	Cn1c(O)nc2cnc(O)nc21
8.7399998	OCHEM	0	-1	Cn1c(O)nc2cnc(O)nc21	Cn1c(O)nc2cnc([O-])nc21,Cn1c([O-])nc2cnc(O)nc21	mol4874	Cn1c(O)nc2cnc(O)nc21
0.3	IUPAC digitized pKa	2	1	Cn1c(O)nc2c[nH+]c(O)[nH+]c21,Cn1c(O)[nH+]c2cnc(O)[nH+]c21,Cn1c(O)[nH+]c2c[nH+]c(O)nc21	Cn1c(O)nc2c[nH+]c(O)nc21,Cn1c(O)[nH+]c2cnc(O)nc21,Cn1c(O)nc2cnc(O)[nH+]c21	mol4874	Cn1c(O)nc2cnc(O)nc21
11.5	IUPAC digitized pKa	-1	-2	Cn1c(O)nc2cnc([O-])nc21,Cn1c([O-])nc2cnc(O)nc21	Cn1c([O-])nc2cnc([O-])nc21	mol4874	Cn1c(O)nc2cnc(O)nc21