pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.37	Datawarrior	0	-1	CC(=O)c1ccccc1O	CC(=O)c1ccccc1[O-]	mol12917	CC(=O)c1ccccc1O
9.19	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC(=O)c1ccccc1O	CC(=O)c1ccccc1[O-]	mol12917	CC(=O)c1ccccc1O
9.9	OCHEM	0	-1	CC(=O)c1ccccc1O	CC(=O)c1ccccc1[O-]	mol12917	CC(=O)c1ccccc1O
10.1	OCHEM	0	-1	CC(=O)c1ccccc1O	CC(=O)c1ccccc1[O-]	mol12917	CC(=O)c1ccccc1O
10.0600004196167	QSARToolbox	0	-1	CC(=O)c1ccccc1O	CC(=O)c1ccccc1[O-]	mol12917	CC(=O)c1ccccc1O
10.539999961853	QSARToolbox	0	-1	CC(=O)c1ccccc1O	CC(=O)c1ccccc1[O-]	mol12917	CC(=O)c1ccccc1O
10.1700000762939	QSARToolbox	0	-1	CC(=O)c1ccccc1O	CC(=O)c1ccccc1[O-]	mol12917	CC(=O)c1ccccc1O
10.25333333	AttenGpKa training set	0	-1	CC(=O)c1ccccc1O	CC(=O)c1ccccc1[O-]	mol12917	CC(=O)c1ccccc1O