pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.3	AttenGpKa training set	-1	-2	CC[C@@](C)(S)[C@H](NC(C)=O)C(=O)[O-]	CC[C@@](C)([S-])[C@H](NC(C)=O)C(=O)[O-]	mol28241	CC[C@@](C)(S)[C@H](NC(C)=O)C(=O)O