pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.5	AttenGpKa training set	0	-1	CC1(C)[C@H]2CC[C@]1(C)[C@H](C(=O)O)C2	CC1(C)[C@H]2CC[C@]1(C)[C@H](C(=O)[O-])C2	mol22408	CC1(C)C2CCC1(C)C(C(=O)O)C2