pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.57	IUPAC digitized pKa	0	-1	COCC(=O)O	COCC(=O)[O-]	mol1796	COCC(=O)O
3.31	IUPAC digitized pKa	0	-1	COCC(=O)O	COCC(=O)[O-]	mol1796	COCC(=O)O
3.36	IUPAC digitized pKa	0	-1	COCC(=O)O	COCC(=O)[O-]	mol1796	COCC(=O)O
3.4	IUPAC digitized pKa	0	-1	COCC(=O)O	COCC(=O)[O-]	mol1796	COCC(=O)O
3.538	IUPAC digitized pKa	0	-1	COCC(=O)O	COCC(=O)[O-]	mol1796	COCC(=O)O
3.544	IUPAC digitized pKa	0	-1	COCC(=O)O	COCC(=O)[O-]	mol1796	COCC(=O)O
3.551	IUPAC digitized pKa	0	-1	COCC(=O)O	COCC(=O)[O-]	mol1796	COCC(=O)O
3.559	IUPAC digitized pKa	0	-1	COCC(=O)O	COCC(=O)[O-]	mol1796	COCC(=O)O
3.583	IUPAC digitized pKa	0	-1	COCC(=O)O	COCC(=O)[O-]	mol1796	COCC(=O)O
3.597	IUPAC digitized pKa	0	-1	COCC(=O)O	COCC(=O)[O-]	mol1796	COCC(=O)O
3.613	IUPAC digitized pKa	0	-1	COCC(=O)O	COCC(=O)[O-]	mol1796	COCC(=O)O
3.631	IUPAC digitized pKa	0	-1	COCC(=O)O	COCC(=O)[O-]	mol1796	COCC(=O)O
3.651	IUPAC digitized pKa	0	-1	COCC(=O)O	COCC(=O)[O-]	mol1796	COCC(=O)O
3.53	Datawarrior	0	-1	COCC(=O)O	COCC(=O)[O-]	mol1796	COCC(=O)O
3.40000009536743	QSARToolbox	0	-1	COCC(=O)O	COCC(=O)[O-]	mol1796	COCC(=O)O
3.5	QSARToolbox	0	-1	COCC(=O)O	COCC(=O)[O-]	mol1796	COCC(=O)O
3.55	AttenGpKa training set	0	-1	COCC(=O)O	COCC(=O)[O-]	mol1796	COCC(=O)O