pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.5	AttenGpKa training set	0	-1	CC[C@@H](NC(=O)[C@H](C)[NH3+])C(=O)[O-]	CC[C@@H](NC(=O)[C@H](C)N)C(=O)[O-]	mol29433	CCC(NC(=O)C(C)N)C(=O)O