pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.1	Datawarrior	0	-1	CC1(C)CC(=O)C(Br)C(=O)C1	CC1(C)CC(=O)[C-](Br)C(=O)C1	mol14104	CC1(C)CC(=O)C(Br)C(=O)C1
3.0999999	OCHEM	0	-1	CC1(C)CC(=O)C(Br)C(=O)C1	CC1(C)CC(=O)[C-](Br)C(=O)C1	mol14104	CC1(C)CC(=O)C(Br)C(=O)C1