pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.18	IUPAC digitized pKa	0	-1	Cc1cc(S)nc(C)n1,Cc1cc([S-])nc(C)[nH+]1	Cc1cc([S-])nc(C)n1	mol7482	Cc1cc(S)nc(C)n1
8.2	OCHEM	0	-1	Cc1cc(S)nc(C)n1,Cc1cc([S-])nc(C)[nH+]1	Cc1cc([S-])nc(C)n1	mol7482	Cc1cc(S)nc(C)n1
8.18000030517578	QSARToolbox	0	-1	Cc1cc(S)nc(C)n1,Cc1cc([S-])nc(C)[nH+]1	Cc1cc([S-])nc(C)n1	mol7482	Cc1cc(S)nc(C)n1
1.79999995231628	QSARToolbox	1	0	Cc1cc(S)nc(C)[nH+]1,Cc1cc(S)[nH+]c(C)n1	Cc1cc(S)nc(C)n1,Cc1cc([S-])nc(C)[nH+]1	mol7482	Cc1cc(S)nc(C)n1