pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.6	AttenGpKa training set	1	0	CC[C@@](C)(O)C(N)=[NH2+]	CC[C@@](C)(O)C(=N)N	mol28008	CCC(C)(O)C(=N)N