pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.42	AttenGpKa training set	0	-1	N[C@H](CO)c1ccccc1O,[NH3+][C@H](CO)c1ccccc1[O-]	N[C@H](CO)c1ccccc1[O-]	mol24262	NC(CO)c1ccccc1O
9.9	AttenGpKa training set	0	-1	N[C@H](CO)c1ccccc1O,[NH3+][C@H](CO)c1ccccc1[O-]	N[C@H](CO)c1ccccc1[O-]	mol24262	NC(CO)c1ccccc1O