pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.65	Datawarrior	0	-1	CC1(C)CC(=O)C(C=O)C(=O)C1	CC1(C)CC(=O)[C-](C=O)C(=O)C1	mol12562	CC1(C)CC(=O)C(C=O)C(=O)C1
3.6500001	OCHEM	0	-1	CC1(C)CC(=O)C(C=O)C(=O)C1	CC1(C)CC(=O)[C-](C=O)C(=O)C1	mol12562	CC1(C)CC(=O)C(C=O)C(=O)C1