pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.23	AttenGpKa training set	-1	-2	C[C@H]1[C@](C)(C(=O)[O-])[C@]1(C)C(=O)O	C[C@H]1[C@](C)(C(=O)[O-])[C@]1(C)C(=O)[O-]	mol22559	C[C@H]1[C@](C)(C(=O)O)[C@]1(C)C(=O)O
6.74	AttenGpKa training set	-1	-2	C[C@H]1[C@](C)(C(=O)[O-])[C@]1(C)C(=O)O	C[C@H]1[C@](C)(C(=O)[O-])[C@]1(C)C(=O)[O-]	mol22559	C[C@H]1[C@](C)(C(=O)O)[C@]1(C)C(=O)O