pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.6800000667572	QSARToolbox	0	-1	C[C@@H]1CCC/C(=C(/CC(=O)O)C(=O)O)C1	C[C@@H]1CCC/C(=C(/CC(=O)O)C(=O)[O-])C1,C[C@@H]1CCC/C(=C(/CC(=O)[O-])C(=O)O)C1	mol34959	CC1CCC/C(=C(/CC(=O)O)C(=O)O)C1