pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.79999995231628	QSARToolbox	0	-1	CC(C)=C1[C@H]2C(C(=O)O)=C(C(=O)O)[C@@H]1C(C(=O)O)=C2C(=O)O	CC(C)=C1[C@H]2C(C(=O)O)=C(C(=O)[O-])[C@@H]1C(C(=O)O)=C2C(=O)O	mol35055	CC(C)=C1C2C(C(=O)O)=C(C(=O)O)C1C(C(=O)O)=C2C(=O)O