pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.93	IUPAC digitized pKa	0	-1	CSc1ncc2[nH]cnc2n1	CSc1ncc2[n-]cnc2n1	mol4904	CSc1ncc2[nH]cnc2n1
8.91	Datawarrior	0	-1	CSc1ncc2[nH]cnc2n1	CSc1ncc2[n-]cnc2n1	mol4904	CSc1ncc2[nH]cnc2n1
8.9099998	OCHEM	0	-1	CSc1ncc2[nH]cnc2n1	CSc1ncc2[n-]cnc2n1	mol4904	CSc1ncc2[nH]cnc2n1
1.89	IUPAC digitized pKa	1	0	CSc1ncc2[nH]cnc2[nH+]1,CSc1nc2nc[nH]c2c[nH+]1,CSc1ncc2[nH]c[nH+]c2n1	CSc1ncc2[nH]cnc2n1	mol4904	CSc1ncc2[nH]cnc2n1
1.91	Datawarrior	1	0	CSc1ncc2[nH]cnc2[nH+]1,CSc1nc2nc[nH]c2c[nH+]1,CSc1ncc2[nH]c[nH+]c2n1	CSc1ncc2[nH]cnc2n1	mol4904	CSc1ncc2[nH]cnc2n1
1.9099999666214	QSARToolbox	1	0	CSc1ncc2[nH]cnc2[nH+]1,CSc1nc2nc[nH]c2c[nH+]1,CSc1ncc2[nH]c[nH+]c2n1	CSc1ncc2[nH]cnc2n1	mol4904	CSc1ncc2[nH]cnc2n1