pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.2	AttenGpKa training set	0	-1	C[C@H]1CCC[C@](C)(C(=O)O)C1	C[C@H]1CCC[C@](C)(C(=O)[O-])C1	mol22330	CC1CCCC(C)(C(=O)O)C1