pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.09	IUPAC digitized pKa	1	0	CSc1c[nH+]nc2ccccc12,CSc1cn[nH+]c2ccccc12	CSc1cnnc2ccccc12	mol4566	CSc1cnnc2ccccc12
3.13	AttenGpKa training set	1	0	CSc1c[nH+]nc2ccccc12,CSc1cn[nH+]c2ccccc12	CSc1cnnc2ccccc12	mol4566	CSc1cnnc2ccccc12