pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
16.9	AttenGpKa training set	-1	-2	Cc1cccc2[nH]cc(C[C@H](N)C(=O)[O-])c12	Cc1cccc2[n-]cc(C[C@H](N)C(=O)[O-])c12	mol26520	Cc1cccc2[nH]cc(C[C@H](N)C(=O)O)c12