pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.05	IUPAC digitized pKa	0	-1	Nc1ccc(S)nn1	Nc1ccc([S-])nn1	mol6956	Nc1ccc(S)nn1
9.5	QSARToolbox	0	-1	Nc1ccc(S)nn1	Nc1ccc([S-])nn1	mol6956	Nc1ccc(S)nn1
-0.14	IUPAC digitized pKa	1	0	[NH3+]c1ccc(S)nn1,Nc1ccc(S)[nH+]n1,Nc1ccc(S)n[nH+]1	Nc1ccc(S)nn1	mol6956	Nc1ccc(S)nn1
-0.140000000596046	QSARToolbox	1	0	[NH3+]c1ccc(S)nn1,Nc1ccc(S)[nH+]n1,Nc1ccc(S)n[nH+]1	Nc1ccc(S)nn1	mol6956	Nc1ccc(S)nn1