pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.79	Datawarrior	0	-1	CC(C)CC(=O)O	CC(C)CC(=O)[O-]	mol15937	CC(C)CC(=O)O
4.77	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC(C)CC(=O)O	CC(C)CC(=O)[O-]	mol15937	CC(C)CC(=O)O
4.78	OCHEM	0	-1	CC(C)CC(=O)O	CC(C)CC(=O)[O-]	mol15937	CC(C)CC(=O)O
4.78999996185303	QSARToolbox	0	-1	CC(C)CC(=O)O	CC(C)CC(=O)[O-]	mol15937	CC(C)CC(=O)O
4.76999998092651	QSARToolbox	0	-1	CC(C)CC(=O)O	CC(C)CC(=O)[O-]	mol15937	CC(C)CC(=O)O
4.90000009536743	QSARToolbox	0	-1	CC(C)CC(=O)O	CC(C)CC(=O)[O-]	mol15937	CC(C)CC(=O)O
4.92000007629395	QSARToolbox	0	-1	CC(C)CC(=O)O	CC(C)CC(=O)[O-]	mol15937	CC(C)CC(=O)O
4.78000020980835	QSARToolbox	0	-1	CC(C)CC(=O)O	CC(C)CC(=O)[O-]	mol15937	CC(C)CC(=O)O