pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.32	AttenGpKa training set	0	-1	COc1c(C(=O)O)cccc1C(=O)O	COc1c(C(=O)[O-])cccc1C(=O)O	mol22842	COc1c(C(=O)O)cccc1C(=O)O
2.91000008583069	QSARToolbox	-1	-2	COc1c(C(=O)[O-])cccc1C(=O)O	COc1c(C(=O)[O-])cccc1C(=O)[O-]	mol22842	COc1c(C(=O)O)cccc1C(=O)O
2.91	AttenGpKa training set	-1	-2	COc1c(C(=O)[O-])cccc1C(=O)O	COc1c(C(=O)[O-])cccc1C(=O)[O-]	mol22842	COc1c(C(=O)O)cccc1C(=O)O