pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.7	IUPAC digitized pKa	0	-1	CSc1nc(C)c2[nH]c(C)nc2n1	CSc1nc(C)c2[n-]c(C)nc2n1	mol8294	CSc1nc(C)c2[nH]c(C)nc2n1
3.01	IUPAC digitized pKa	1	0	CSc1nc(C)c2[nH]c(C)[nH+]c2n1,CSc1nc2nc(C)[nH]c2c(C)[nH+]1,CSc1nc(C)c2[nH]c(C)nc2[nH+]1	CSc1nc(C)c2[nH]c(C)nc2n1	mol8294	CSc1nc(C)c2[nH]c(C)nc2n1
3.04	IUPAC digitized pKa	1	0	CSc1nc(C)c2[nH]c(C)[nH+]c2n1,CSc1nc2nc(C)[nH]c2c(C)[nH+]1,CSc1nc(C)c2[nH]c(C)nc2[nH+]1	CSc1nc(C)c2[nH]c(C)nc2n1	mol8294	CSc1nc(C)c2[nH]c(C)nc2n1
-0.6	IUPAC digitized pKa	2	1	CSc1nc2[nH+]c(C)[nH]c2c(C)[nH+]1,CSc1nc(C)c2[nH]c(C)[nH+]c2[nH+]1,CSc1[nH+]c(C)c2[nH]c(C)nc2[nH+]1	CSc1nc(C)c2[nH]c(C)[nH+]c2n1,CSc1nc2nc(C)[nH]c2c(C)[nH+]1,CSc1nc(C)c2[nH]c(C)nc2[nH+]1	mol8294	CSc1nc(C)c2[nH]c(C)nc2n1