pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.52	IUPAC digitized pKa	0	-1	CSc1cc(O)ncn1	CSc1cc([O-])ncn1	mol1621	CSc1cc(O)ncn1
8.47	OCHEM	0	-1	CSc1cc(O)ncn1	CSc1cc([O-])ncn1	mol1621	CSc1cc(O)ncn1
8.52000045776367	QSARToolbox	0	-1	CSc1cc(O)ncn1	CSc1cc([O-])ncn1	mol1621	CSc1cc(O)ncn1
8.47000026702881	QSARToolbox	0	-1	CSc1cc(O)ncn1	CSc1cc([O-])ncn1	mol1621	CSc1cc(O)ncn1
-0.109999999403954	QSARToolbox	1	0	CSc1cc(O)[nH+]cn1,CSc1cc(O)nc[nH+]1	CSc1cc(O)ncn1	mol1621	CSc1cc(O)ncn1
-7.30000019073486	QSARToolbox	2	1	CSc1cc(O)[nH+]c[nH+]1	CSc1cc(O)[nH+]cn1,CSc1cc(O)nc[nH+]1	mol1621	CSc1cc(O)ncn1