pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.1	Datawarrior	-1	-2	CC(C)(C)c1cc(/C=C/C(=O)[O-])cc(C(C)(C)C)c1O	CC(C)(C)c1cc(/C=C/C(=O)[O-])cc(C(C)(C)C)c1[O-]	mol14657	CC(C)(C)c1cc(/C=C/C(=O)O)cc(C(C)(C)C)c1O
11.1000003814697	QSARToolbox	-1	-2	CC(C)(C)c1cc(/C=C/C(=O)[O-])cc(C(C)(C)C)c1O	CC(C)(C)c1cc(/C=C/C(=O)[O-])cc(C(C)(C)C)c1[O-]	mol14657	CC(C)(C)c1cc(/C=C/C(=O)O)cc(C(C)(C)C)c1O