pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
13.6	AttenGpKa training set	-1	-2	CC(=O)N[C@H](CO)C([NH-])=O,CC(=O)N[C@H](C[O-])C(N)=O,CC(=O)[N-][C@H](CO)C(N)=O	CC(=O)[N-][C@H](CO)C([NH-])=O,CC(=O)[N-][C@H](C[O-])C(N)=O,CC(=O)N[C@H](C[O-])C([NH-])=O	mol31152	CC(=O)NC(CO)C(N)=O