pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.1	Datawarrior	0	-1	C[C@H]1CC(=O)CC(=O)O1	C[C@H]1CC(=O)[CH-]C(=O)O1	mol13567	CC1CC(=O)CC(=O)O1
5.0999999	OCHEM	0	-1	C[C@H]1CC(=O)CC(=O)O1	C[C@H]1CC(=O)[CH-]C(=O)O1	mol13567	CC1CC(=O)CC(=O)O1