pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.59	IUPAC digitized pKa	1	0	CSc1cccc[nH+]1	CSc1ccccn1	mol3759	CSc1ccccn1
3.62	Datawarrior	1	0	CSc1cccc[nH+]1	CSc1ccccn1	mol3759	CSc1ccccn1
3.6199999	OCHEM	1	0	CSc1cccc[nH+]1	CSc1ccccn1	mol3759	CSc1ccccn1
3.61999988555908	QSARToolbox	1	0	CSc1cccc[nH+]1	CSc1ccccn1	mol3759	CSc1ccccn1
3.58999991416931	QSARToolbox	1	0	CSc1cccc[nH+]1	CSc1ccccn1	mol3759	CSc1ccccn1