pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.7	IUPAC digitized pKa	0	-1	CSc1nc2ncncc2[nH]1	CSc1nc2ncncc2[n-]1	mol4906	CSc1nc2ncncc2[nH]1
7.67	Datawarrior	0	-1	CSc1nc2ncncc2[nH]1	CSc1nc2ncncc2[n-]1	mol4906	CSc1nc2ncncc2[nH]1
7.6700001	OCHEM	0	-1	CSc1nc2ncncc2[nH]1	CSc1nc2ncncc2[n-]1	mol4906	CSc1nc2ncncc2[nH]1
2.92	IUPAC digitized pKa	1	0	CSc1nc2[nH+]cncc2[nH]1,CSc1[nH]c2cncnc2[nH+]1,CSc1nc2nc[nH+]cc2[nH]1	CSc1nc2ncncc2[nH]1	mol4906	CSc1nc2ncncc2[nH]1
2.95	Datawarrior	1	0	CSc1nc2[nH+]cncc2[nH]1,CSc1[nH]c2cncnc2[nH+]1,CSc1nc2nc[nH+]cc2[nH]1	CSc1nc2ncncc2[nH]1	mol4906	CSc1nc2ncncc2[nH]1
2.95000004768372	QSARToolbox	1	0	CSc1nc2[nH+]cncc2[nH]1,CSc1[nH]c2cncnc2[nH+]1,CSc1nc2nc[nH+]cc2[nH]1	CSc1nc2ncncc2[nH]1	mol4906	CSc1nc2ncncc2[nH]1