pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.0	OCHEM	0	-1	CC[C@H](C(=O)O)C(CC)(CC)C(=O)O	CC[C@H](C(=O)O)C(CC)(CC)C(=O)[O-],CC[C@H](C(=O)[O-])C(CC)(CC)C(=O)O	mol32974	CCC(C(=O)O)C(CC)(CC)C(=O)O
2.74000000953674	QSARToolbox	0	-1	CC[C@H](C(=O)O)C(CC)(CC)C(=O)O	CC[C@H](C(=O)O)C(CC)(CC)C(=O)[O-],CC[C@H](C(=O)[O-])C(CC)(CC)C(=O)O	mol32974	CCC(C(=O)O)C(CC)(CC)C(=O)O