pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.55	IUPAC digitized pKa	1	0	CSc1c[nH+]ccn1,CSc1cncc[nH+]1	CSc1cnccn1	mol3994	CSc1cnccn1
0.515	OCHEM	1	0	CSc1c[nH+]ccn1,CSc1cncc[nH+]1	CSc1cnccn1	mol3994	CSc1cnccn1
0.479999989271164	QSARToolbox	1	0	CSc1c[nH+]ccn1,CSc1cncc[nH+]1	CSc1cnccn1	mol3994	CSc1cnccn1
0.550000011920929	QSARToolbox	1	0	CSc1c[nH+]ccn1,CSc1cncc[nH+]1	CSc1cnccn1	mol3994	CSc1cnccn1