pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.7	IUPAC digitized pKa	0	-1	Cn1c(O)nc2nc(O)ncc21	Cn1c([O-])nc2nc(O)ncc21,Cn1c(O)nc2nc([O-])ncc21	mol4873	Cn1c(O)nc2nc(O)ncc21
0.0	IUPAC digitized pKa	2	1	Cn1c(O)[nH+]c2[nH+]c(O)ncc21,Cn1c(O)nc2[nH+]c(O)[nH+]cc21,Cn1c(O)[nH+]c2nc(O)[nH+]cc21	Cn1c(O)nc2[nH+]c(O)ncc21,Cn1c(O)[nH+]c2nc(O)ncc21,Cn1c(O)nc2nc(O)[nH+]cc21	mol4873	Cn1c(O)nc2nc(O)ncc21
12.0	IUPAC digitized pKa	-1	-2	Cn1c([O-])nc2nc(O)ncc21,Cn1c(O)nc2nc([O-])ncc21	Cn1c([O-])nc2nc([O-])ncc21	mol4873	Cn1c(O)nc2nc(O)ncc21