pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.89	AttenGpKa training set	0	-1	O=C(O)[C@@]12CC[C@@H](C1)[C@H](I)C2	O=C([O-])[C@@]12CC[C@@H](C1)[C@H](I)C2	mol22276	O=C(O)C12CCC(C1)C(I)C2