pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.58	AttenGpKa training set	0	-1	C[NH+](C)[C@@H](CO)c1ccc([O-])cc1,CN(C)[C@@H](CO)c1ccc(O)cc1	CN(C)[C@@H](CO)c1ccc([O-])cc1	mol24285	CN(C)C(CO)c1ccc(O)cc1
9.5	AttenGpKa training set	0	-1	C[NH+](C)[C@@H](CO)c1ccc([O-])cc1,CN(C)[C@@H](CO)c1ccc(O)cc1	CN(C)[C@@H](CO)c1ccc([O-])cc1	mol24285	CN(C)C(CO)c1ccc(O)cc1