pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.52	IUPAC digitized pKa	0	-1	Nc1cnc(O)nc1O	Nc1cnc([O-])nc1O,Nc1cnc(O)nc1[O-]	mol7036	Nc1cnc(O)nc1O
9.34000015258789	QSARToolbox	0	-1	Nc1cnc(O)nc1O	Nc1cnc([O-])nc1O,Nc1cnc(O)nc1[O-]	mol7036	Nc1cnc(O)nc1O
9.52000045776367	QSARToolbox	0	-1	Nc1cnc(O)nc1O	Nc1cnc([O-])nc1O,Nc1cnc(O)nc1[O-]	mol7036	Nc1cnc(O)nc1O
3.2	IUPAC digitized pKa	1	0	Nc1c[nH+]c(O)nc1O,[NH3+]c1cnc(O)nc1O,Nc1cnc(O)[nH+]c1O	Nc1cnc(O)nc1O	mol7036	Nc1cnc(O)nc1O
3.20000004768372	QSARToolbox	1	0	Nc1c[nH+]c(O)nc1O,[NH3+]c1cnc(O)nc1O,Nc1cnc(O)[nH+]c1O	Nc1cnc(O)nc1O	mol7036	Nc1cnc(O)nc1O