pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.58	Datawarrior	0	-1	CC=C=CC(C)(C)C(=O)O	CC=C=CC(C)(C)C(=O)[O-]	mol13098	CC=C=CC(C)(C)C(=O)O
4.5799999	OCHEM	0	-1	CC=C=CC(C)(C)C(=O)O	CC=C=CC(C)(C)C(=O)[O-]	mol13098	CC=C=CC(C)(C)C(=O)O
4.57999992370606	QSARToolbox	0	-1	CC=C=CC(C)(C)C(=O)O	CC=C=CC(C)(C)C(=O)[O-]	mol13098	CC=C=CC(C)(C)C(=O)O