pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.47	AttenGpKa training set	0	-1	O=C(O)CN(C(=O)CCl)c1ccccc1	O=C([O-])CN(C(=O)CCl)c1ccccc1	mol23536	O=C(O)CN(C(=O)CCl)c1ccccc1