pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.021	IUPAC digitized pKa	0	-1	CCCC(C)(C)C(=O)O	CCCC(C)(C)C(=O)[O-]	mol10024	CCCC(C)(C)C(=O)O
4.969	IUPAC digitized pKa	0	-1	CCCC(C)(C)C(=O)O	CCCC(C)(C)C(=O)[O-]	mol10024	CCCC(C)(C)C(=O)O
5.088	IUPAC digitized pKa	0	-1	CCCC(C)(C)C(=O)O	CCCC(C)(C)C(=O)[O-]	mol10024	CCCC(C)(C)C(=O)O
4.97	OCHEM	0	-1	CCCC(C)(C)C(=O)O	CCCC(C)(C)C(=O)[O-]	mol10024	CCCC(C)(C)C(=O)O
4.96999979019165	QSARToolbox	0	-1	CCCC(C)(C)C(=O)O	CCCC(C)(C)C(=O)[O-]	mol10024	CCCC(C)(C)C(=O)O
5.01999998092651	QSARToolbox	0	-1	CCCC(C)(C)C(=O)O	CCCC(C)(C)C(=O)[O-]	mol10024	CCCC(C)(C)C(=O)O
4.9689998626709	QSARToolbox	0	-1	CCCC(C)(C)C(=O)O	CCCC(C)(C)C(=O)[O-]	mol10024	CCCC(C)(C)C(=O)O