pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.1	Datawarrior	0	-1	CC1=C(C)C(=C(C)C(=O)O)CC1=O	CC1=C(C)C(=C(C)C(=O)[O-])CC1=O	mol13862	CC1=C(C)C(=C(C)C(=O)O)CC1=O
3.0999999	OCHEM	0	-1	CC1=C(C)C(=C(C)C(=O)O)CC1=O	CC1=C(C)C(=C(C)C(=O)[O-])CC1=O	mol13862	CC1=C(C)C(=C(C)C(=O)O)CC1=O
3.09999990463257	QSARToolbox	0	-1	CC1=C(C)C(=C(C)C(=O)O)CC1=O	CC1=C(C)C(=C(C)C(=O)[O-])CC1=O	mol13862	CC1=C(C)C(=C(C)C(=O)O)CC1=O