pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.761	IUPAC digitized pKa	0	-1	CC[C@@H](C)C(=O)O	CC[C@@H](C)C(=O)[O-]	mol9331	CCC(C)C(=O)O
4.81	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC[C@@H](C)C(=O)O	CC[C@@H](C)C(=O)[O-]	mol9331	CCC(C)C(=O)O
4.785	OCHEM	0	-1	CC[C@@H](C)C(=O)O	CC[C@@H](C)C(=O)[O-]	mol9331	CCC(C)C(=O)O
4.76000022888184	QSARToolbox	0	-1	CC[C@@H](C)C(=O)O	CC[C@@H](C)C(=O)[O-]	mol9331	CCC(C)C(=O)O
4.80000019073486	QSARToolbox	0	-1	CC[C@@H](C)C(=O)O	CC[C@@H](C)C(=O)[O-]	mol9331	CCC(C)C(=O)O
4.80999994277954	QSARToolbox	0	-1	CC[C@@H](C)C(=O)O	CC[C@@H](C)C(=O)[O-]	mol9331	CCC(C)C(=O)O