pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.01	OCHEM	-1	-2	CC1(C)[C@H](C(=O)[O-])CC[C@]1(C)C(=O)O,CC1(C)[C@H](C(=O)O)CC[C@]1(C)C(=O)[O-]	CC1(C)[C@H](C(=O)[O-])CC[C@]1(C)C(=O)[O-]	mol32992	CC1(C(=O)O)CCC(C(=O)O)C1(C)C
5.53	OCHEM	-1	-2	CC1(C)[C@H](C(=O)[O-])CC[C@]1(C)C(=O)O,CC1(C)[C@H](C(=O)O)CC[C@]1(C)C(=O)[O-]	CC1(C)[C@H](C(=O)[O-])CC[C@]1(C)C(=O)[O-]	mol32992	CC1(C(=O)O)CCC(C(=O)O)C1(C)C
4.69999980926514	QSARToolbox	-1	-2	CC1(C)[C@H](C(=O)[O-])CC[C@]1(C)C(=O)O,CC1(C)[C@H](C(=O)O)CC[C@]1(C)C(=O)[O-]	CC1(C)[C@H](C(=O)[O-])CC[C@]1(C)C(=O)[O-]	mol32992	CC1(C(=O)O)CCC(C(=O)O)C1(C)C