pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.73	IUPAC digitized pKa	0	-1	CC[C@](C)(O)C(=O)O	CC[C@](C)(O)C(=O)[O-]	mol9332	CCC(C)(O)C(=O)O
3.86	OCHEM	0	-1	CC[C@](C)(O)C(=O)O	CC[C@](C)(O)C(=O)[O-]	mol9332	CCC(C)(O)C(=O)O
3.73000001907349	QSARToolbox	0	-1	CC[C@](C)(O)C(=O)O	CC[C@](C)(O)C(=O)[O-]	mol9332	CCC(C)(O)C(=O)O
3.99000000953674	QSARToolbox	0	-1	CC[C@](C)(O)C(=O)O	CC[C@](C)(O)C(=O)[O-]	mol9332	CCC(C)(O)C(=O)O
3.91	AttenGpKa training set	0	-1	CC[C@](C)(O)C(=O)O	CC[C@](C)(O)C(=O)[O-]	mol9332	CCC(C)(O)C(=O)O