pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.57	IUPAC digitized pKa	0	-1	Nc1cc(O)c2ccccc2c1O	Nc1cc(O)c2ccccc2c1[O-],Nc1cc([O-])c2ccccc2c1O	mol3526	Nc1cc(O)c2ccccc2c1O
9.56999969482422	QSARToolbox	0	-1	Nc1cc(O)c2ccccc2c1O	Nc1cc(O)c2ccccc2c1[O-],Nc1cc([O-])c2ccccc2c1O	mol3526	Nc1cc(O)c2ccccc2c1O
4.04	IUPAC digitized pKa	1	0	[NH3+]c1cc(O)c2ccccc2c1O	Nc1cc(O)c2ccccc2c1O	mol3526	Nc1cc(O)c2ccccc2c1O
4.40000009536743	QSARToolbox	1	0	[NH3+]c1cc(O)c2ccccc2c1O	Nc1cc(O)c2ccccc2c1O	mol3526	Nc1cc(O)c2ccccc2c1O
11.27	IUPAC digitized pKa	-1	-2	Nc1cc(O)c2ccccc2c1[O-],Nc1cc([O-])c2ccccc2c1O	Nc1cc([O-])c2ccccc2c1[O-]	mol3526	Nc1cc(O)c2ccccc2c1O
11.2700004577637	QSARToolbox	-1	-2	Nc1cc(O)c2ccccc2c1[O-],Nc1cc([O-])c2ccccc2c1O	Nc1cc([O-])c2ccccc2c1[O-]	mol3526	Nc1cc(O)c2ccccc2c1O