pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.24	IUPAC digitized pKa	1	0	CSc1ccn[nH+]c1,CSc1cc[nH+]nc1	CSc1ccnnc1	mol4045	CSc1ccnnc1
3.24000000953674	QSARToolbox	1	0	CSc1ccn[nH+]c1,CSc1cc[nH+]nc1	CSc1ccnnc1	mol4045	CSc1ccnnc1
3.26	AttenGpKa training set	1	0	CSc1ccn[nH+]c1,CSc1cc[nH+]nc1	CSc1ccnnc1	mol4045	CSc1ccnnc1