pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.8	AttenGpKa training set	1	0	C1C[NH+]=C2CCCN2C1	C1CN=C2CCCN2C1	mol28012	C1CN=C2CCCN2C1