pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.9	IUPAC digitized pKa	0	-1	CSc1nc(C)c2[nH]c(SC)nc2n1	CSc1nc(C)c2[n-]c(SC)nc2n1	mol8320	CSc1nc(C)c2[nH]c(SC)nc2n1
7.94	IUPAC digitized pKa	0	-1	CSc1nc(C)c2[nH]c(SC)nc2n1	CSc1nc(C)c2[n-]c(SC)nc2n1	mol8320	CSc1nc(C)c2[nH]c(SC)nc2n1
2.74	IUPAC digitized pKa	1	0	CSc1nc(C)c2[nH]c(SC)[nH+]c2n1,CSc1nc2nc(SC)[nH+]c(C)c2[nH]1,CSc1nc2[nH+]c(SC)nc(C)c2[nH]1	CSc1nc(C)c2[nH]c(SC)nc2n1	mol8320	CSc1nc(C)c2[nH]c(SC)nc2n1
-1.36	IUPAC digitized pKa	2	1	CSc1nc(C)c2[nH]c(SC)[nH+]c2[nH+]1,CSc1nc2[nH+]c(SC)[nH]c2c(C)[nH+]1,CSc1nc2[nH+]c(SC)[nH+]c(C)c2[nH]1	CSc1nc(C)c2[nH]c(SC)[nH+]c2n1,CSc1nc2nc(SC)[nH+]c(C)c2[nH]1,CSc1nc2[nH+]c(SC)nc(C)c2[nH]1	mol8320	CSc1nc(C)c2[nH]c(SC)nc2n1