pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.12	AttenGpKa training set	1	0	C/C=C/C[NH2+]c1ccccc1	C/C=C/CNc1ccccc1	mol23727	C/C=C/CNc1ccccc1