pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.14	OCHEM	0	-1	CCCC(CC)(C(=O)O)C(=O)O	CCCC(CC)(C(=O)[O-])C(=O)O	mol22567	CCCC(CC)(C(=O)O)C(=O)O
2.43	OCHEM	0	-1	CCCC(CC)(C(=O)O)C(=O)O	CCCC(CC)(C(=O)[O-])C(=O)O	mol22567	CCCC(CC)(C(=O)O)C(=O)O
2.10999989509583	QSARToolbox	0	-1	CCCC(CC)(C(=O)O)C(=O)O	CCCC(CC)(C(=O)[O-])C(=O)O	mol22567	CCCC(CC)(C(=O)O)C(=O)O
2.15000009536743	QSARToolbox	0	-1	CCCC(CC)(C(=O)O)C(=O)O	CCCC(CC)(C(=O)[O-])C(=O)O	mol22567	CCCC(CC)(C(=O)O)C(=O)O
2.15	AttenGpKa training set	0	-1	CCCC(CC)(C(=O)O)C(=O)O	CCCC(CC)(C(=O)[O-])C(=O)O	mol22567	CCCC(CC)(C(=O)O)C(=O)O
7.42999982833862	QSARToolbox	-1	-2	CCCC(CC)(C(=O)[O-])C(=O)O	CCCC(CC)(C(=O)[O-])C(=O)[O-]	mol22567	CCCC(CC)(C(=O)O)C(=O)O
7.43	AttenGpKa training set	-1	-2	CCCC(CC)(C(=O)[O-])C(=O)O	CCCC(CC)(C(=O)[O-])C(=O)[O-]	mol22567	CCCC(CC)(C(=O)O)C(=O)O