pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.34	IUPAC digitized pKa	0	-1	Sc1cnccn1	[S-]c1cnccn1	mol3990	Sc1cnccn1
6.3	OCHEM	0	-1	Sc1cnccn1	[S-]c1cnccn1	mol3990	Sc1cnccn1
6.34000015258789	QSARToolbox	0	-1	Sc1cnccn1	[S-]c1cnccn1	mol3990	Sc1cnccn1
6.75	QSARToolbox	0	-1	Sc1cnccn1	[S-]c1cnccn1	mol3990	Sc1cnccn1
6.32	AttenGpKa training set	0	-1	Sc1cnccn1	[S-]c1cnccn1	mol3990	Sc1cnccn1
-0.24	IUPAC digitized pKa	1	0	Sc1cncc[nH+]1,Sc1c[nH+]ccn1	Sc1cnccn1	mol3990	Sc1cnccn1
-0.730000019073486	QSARToolbox	1	0	Sc1cncc[nH+]1,Sc1c[nH+]ccn1	Sc1cnccn1	mol3990	Sc1cnccn1
-0.239999994635582	QSARToolbox	1	0	Sc1cncc[nH+]1,Sc1c[nH+]ccn1	Sc1cnccn1	mol3990	Sc1cnccn1
-0.73	AttenGpKa training set	1	0	Sc1cncc[nH+]1,Sc1c[nH+]ccn1	Sc1cnccn1	mol3990	Sc1cnccn1