pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.17	IUPAC digitized pKa	1	0	C1=[NH+]c2ccccc2CN1	C1=Nc2ccccc2CN1	mol4614	C1=Nc2ccccc2CN1
9.21	AttenGpKa training set	1	0	C1=[NH+]c2ccccc2CN1	C1=Nc2ccccc2CN1	mol4614	C1=Nc2ccccc2CN1