pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.4	AttenGpKa training set	1	0	c1ccc(C2=[NH+]CCO2)cc1	c1ccc(C2=NCCO2)cc1	mol30250	c1ccc(C2=NCCO2)cc1