pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.17	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC=CC(=O)O	CC=CC(=O)[O-]	mol21785	CC=CC(=O)O
4.79	OCHEM	0	-1	CC=CC(=O)O	CC=CC(=O)[O-]	mol21785	CC=CC(=O)O
4.695	OCHEM	0	-1	CC=CC(=O)O	CC=CC(=O)[O-]	mol21785	CC=CC(=O)O
4.44000005722046	QSARToolbox	0	-1	CC=CC(=O)O	CC=CC(=O)[O-]	mol21785	CC=CC(=O)O
4.69000005722046	QSARToolbox	0	-1	CC=CC(=O)O	CC=CC(=O)[O-]	mol21785	CC=CC(=O)O
4.69999980926514	QSARToolbox	0	-1	CC=CC(=O)O	CC=CC(=O)[O-]	mol21785	CC=CC(=O)O
4.71000003814697	QSARToolbox	0	-1	CC=CC(=O)O	CC=CC(=O)[O-]	mol21785	CC=CC(=O)O
4.17000007629395	QSARToolbox	0	-1	CC=CC(=O)O	CC=CC(=O)[O-]	mol21785	CC=CC(=O)O