pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.2	OCHEM	0	-1	Cc1cc(Cl)ccc1OCCCC(=O)O	Cc1cc(Cl)ccc1OCCCC(=O)[O-]	mol2317	Cc1cc(Cl)ccc1OCCCC(=O)O
4.8000002	OCHEM	0	-1	Cc1cc(Cl)ccc1OCCCC(=O)O	Cc1cc(Cl)ccc1OCCCC(=O)[O-]	mol2317	Cc1cc(Cl)ccc1OCCCC(=O)O
4.5	OCHEM	0	-1	Cc1cc(Cl)ccc1OCCCC(=O)O	Cc1cc(Cl)ccc1OCCCC(=O)[O-]	mol2317	Cc1cc(Cl)ccc1OCCCC(=O)O
4.84000015258789	QSARToolbox	0	-1	Cc1cc(Cl)ccc1OCCCC(=O)O	Cc1cc(Cl)ccc1OCCCC(=O)[O-]	mol2317	Cc1cc(Cl)ccc1OCCCC(=O)O
4.8	AttenGpKa training set	0	-1	Cc1cc(Cl)ccc1OCCCC(=O)O	Cc1cc(Cl)ccc1OCCCC(=O)[O-]	mol2317	Cc1cc(Cl)ccc1OCCCC(=O)O