pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.32	IUPAC digitized pKa	0	-1	Nc1cc(O)c(O)c2ccccc12	Nc1cc(O)c([O-])c2ccccc12,Nc1cc([O-])c(O)c2ccccc12	mol3525	Nc1cc(O)c(O)c2ccccc12
9.31999969482422	QSARToolbox	0	-1	Nc1cc(O)c(O)c2ccccc12	Nc1cc(O)c([O-])c2ccccc12,Nc1cc([O-])c(O)c2ccccc12	mol3525	Nc1cc(O)c(O)c2ccccc12
4.41	IUPAC digitized pKa	1	0	[NH3+]c1cc(O)c(O)c2ccccc12	Nc1cc(O)c(O)c2ccccc12	mol3525	Nc1cc(O)c(O)c2ccccc12
4.40999984741211	QSARToolbox	1	0	[NH3+]c1cc(O)c(O)c2ccccc12	Nc1cc(O)c(O)c2ccccc12	mol3525	Nc1cc(O)c(O)c2ccccc12