pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.41	AttenGpKa training set	0	-1	CC(C)C[C@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	mol29475	CC(C)CC(N)C(=O)NC(Cc1ccccc1)C(=O)O