pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.85	IUPAC digitized pKa	0	-1	Oc1cccc2scnc12	[O-]c1cccc2scnc12	mol1410	Oc1cccc2scnc12
8.7	IUPAC digitized pKa	0	-1	Oc1cccc2scnc12	[O-]c1cccc2scnc12	mol1410	Oc1cccc2scnc12
8.77	Datawarrior	0	-1	Oc1cccc2scnc12	[O-]c1cccc2scnc12	mol1410	Oc1cccc2scnc12
8.7700005	OCHEM	0	-1	Oc1cccc2scnc12	[O-]c1cccc2scnc12	mol1410	Oc1cccc2scnc12
8.85000038146973	QSARToolbox	0	-1	Oc1cccc2scnc12	[O-]c1cccc2scnc12	mol1410	Oc1cccc2scnc12
1.2	IUPAC digitized pKa	1	0	Oc1cccc2sc[nH+]c12	Oc1cccc2scnc12	mol1410	Oc1cccc2scnc12
1.3	IUPAC digitized pKa	1	0	Oc1cccc2sc[nH+]c12	Oc1cccc2scnc12	mol1410	Oc1cccc2scnc12
1.25	Datawarrior	1	0	Oc1cccc2sc[nH+]c12	Oc1cccc2scnc12	mol1410	Oc1cccc2scnc12
1.20000004768372	QSARToolbox	1	0	Oc1cccc2sc[nH+]c12	Oc1cccc2scnc12	mol1410	Oc1cccc2scnc12