pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.47	IUPAC digitized pKa	0	-1	COc1ccc(C(=O)O)cc1O	COc1ccc(C(=O)[O-])cc1O	mol10416	COc1ccc(C(=O)O)cc1O
4.46999979019165	QSARToolbox	0	-1	COc1ccc(C(=O)O)cc1O	COc1ccc(C(=O)[O-])cc1O	mol10416	COc1ccc(C(=O)O)cc1O
1.10000002384186	QSARToolbox	0	-1	COc1ccc(C(=O)O)cc1O	COc1ccc(C(=O)[O-])cc1O	mol10416	COc1ccc(C(=O)O)cc1O
4.365	AttenGpKa training set	0	-1	COc1ccc(C(=O)O)cc1O	COc1ccc(C(=O)[O-])cc1O	mol10416	COc1ccc(C(=O)O)cc1O
10.1	IUPAC digitized pKa	-1	-2	COc1ccc(C(=O)[O-])cc1O	COc1ccc(C(=O)[O-])cc1[O-]	mol10416	COc1ccc(C(=O)O)cc1O
10.0	OCHEM	-1	-2	COc1ccc(C(=O)[O-])cc1O	COc1ccc(C(=O)[O-])cc1[O-]	mol10416	COc1ccc(C(=O)O)cc1O
9.58	AttenGpKa training set	-1	-2	COc1ccc(C(=O)[O-])cc1O	COc1ccc(C(=O)[O-])cc1[O-]	mol10416	COc1ccc(C(=O)O)cc1O