pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.0	AttenGpKa training set	0	-1	CC(=O)C(Br)C(C)=O	[CH2-]C(=O)C(Br)C(C)=O,CC(=O)[C-](Br)C(C)=O	mol26871	CC(=O)C(Br)C(C)=O