pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.2	Datawarrior	0	-1	CC1(C)CC(=O)CC1=O	CC1(C)CC(=O)[CH-]C1=O	mol13551	CC1(C)CC(=O)CC1=O
4.1999998	OCHEM	0	-1	CC1(C)CC(=O)CC1=O	CC1(C)CC(=O)[CH-]C1=O	mol13551	CC1(C)CC(=O)CC1=O