pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.23	IUPAC digitized pKa	1	0	CNc1nc(C)cc(C)[nH+]1,C[NH2+]c1nc(C)cc(C)n1	CNc1nc(C)cc(C)n1	mol1350	CNc1nc(C)cc(C)n1
5.25	AttenGpKa training set	1	0	CNc1nc(C)cc(C)[nH+]1,C[NH2+]c1nc(C)cc(C)n1	CNc1nc(C)cc(C)n1	mol1350	CNc1nc(C)cc(C)n1