pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.92	IUPAC digitized pKa	0	-1	Cn1c([S-])nc2cc[nH+]cc21,Cn1c(S)nc2ccncc21	Cn1c([S-])nc2ccncc21	mol7987	Cn1c(S)nc2ccncc21
5.05	IUPAC digitized pKa	1	0	Cn1c(S)nc2cc[nH+]cc21,Cn1c(S)[nH+]c2ccncc21	Cn1c([S-])nc2cc[nH+]cc21,Cn1c(S)nc2ccncc21	mol7987	Cn1c(S)nc2ccncc21