pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.81	IUPAC digitized pKa	0	-1	Cn1c(S)nc2cnccc21,Cn1c([S-])nc2c[nH+]ccc21	Cn1c([S-])nc2cnccc21	mol7980	Cn1c(S)nc2cnccc21
5.03	IUPAC digitized pKa	1	0	Cn1c(S)[nH+]c2cnccc21,Cn1c(S)nc2c[nH+]ccc21	Cn1c(S)nc2cnccc21,Cn1c([S-])nc2c[nH+]ccc21	mol7980	Cn1c(S)nc2cnccc21