pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.78	IUPAC digitized pKa	0	-1	Oc1nc(O)c2ccccc2n1	[O-]c1nc(O)nc2ccccc12,[O-]c1nc(O)c2ccccc2n1	mol4629	Oc1nc(O)c2ccccc2n1
9.82	IUPAC digitized pKa	0	-1	Oc1nc(O)c2ccccc2n1	[O-]c1nc(O)nc2ccccc12,[O-]c1nc(O)c2ccccc2n1	mol4629	Oc1nc(O)c2ccccc2n1
9.77999973297119	QSARToolbox	0	-1	Oc1nc(O)c2ccccc2n1	[O-]c1nc(O)nc2ccccc12,[O-]c1nc(O)c2ccccc2n1	mol4629	Oc1nc(O)c2ccccc2n1
2.5	IUPAC digitized pKa	1	0	Oc1nc2ccccc2c(O)[nH+]1,Oc1nc(O)c2ccccc2[nH+]1	Oc1nc(O)c2ccccc2n1	mol4629	Oc1nc(O)c2ccccc2n1