pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.14	OCHEM	0	-1	CCC(CC)(CC(=O)O)C(=O)O	CCC(CC)(CC(=O)[O-])C(=O)O,CCC(CC)(CC(=O)O)C(=O)[O-]	mol32973	CCC(CC)(CC(=O)O)C(=O)O
3.83999991416931	QSARToolbox	0	-1	CCC(CC)(CC(=O)O)C(=O)O	CCC(CC)(CC(=O)[O-])C(=O)O,CCC(CC)(CC(=O)O)C(=O)[O-]	mol32973	CCC(CC)(CC(=O)O)C(=O)O
3.94000005722046	QSARToolbox	0	-1	CCC(CC)(CC(=O)O)C(=O)O	CCC(CC)(CC(=O)[O-])C(=O)O,CCC(CC)(CC(=O)O)C(=O)[O-]	mol32973	CCC(CC)(CC(=O)O)C(=O)O
6.6399998664856	QSARToolbox	-1	-2	CCC(CC)(CC(=O)[O-])C(=O)O,CCC(CC)(CC(=O)O)C(=O)[O-]	CCC(CC)(CC(=O)[O-])C(=O)[O-]	mol32973	CCC(CC)(CC(=O)O)C(=O)O