pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.42	IUPAC digitized pKa	1	0	CSc1ccc[nH+]c1	CSc1cccnc1	mol3760	CSc1cccnc1
4.45	Datawarrior	1	0	CSc1ccc[nH+]c1	CSc1cccnc1	mol3760	CSc1cccnc1
4.4499998	OCHEM	1	0	CSc1ccc[nH+]c1	CSc1cccnc1	mol3760	CSc1cccnc1
4.44999980926514	QSARToolbox	1	0	CSc1ccc[nH+]c1	CSc1cccnc1	mol3760	CSc1cccnc1
4.42000007629395	QSARToolbox	1	0	CSc1ccc[nH+]c1	CSc1cccnc1	mol3760	CSc1cccnc1