pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.35	IUPAC digitized pKa	1	0	COc1ccc2sc([NH3+])nc2c1,COc1ccc2sc(N)[nH+]c2c1	COc1ccc2sc(N)nc2c1	mol4545	COc1ccc2sc(N)nc2c1
4.29	AttenGpKa training set	1	0	COc1ccc2sc([NH3+])nc2c1,COc1ccc2sc(N)[nH+]c2c1	COc1ccc2sc(N)nc2c1	mol4545	COc1ccc2sc(N)nc2c1