pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.96	AttenGpKa training set	0	-1	O=C1CC(=O)[C@H](Cc2ccc(Br)cc2)C1	O=C1[CH-]C(=O)[C@H](Cc2ccc(Br)cc2)C1	mol27066	O=C1CC(=O)C(Cc2ccc(Br)cc2)C1