pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.58	IUPAC digitized pKa	0	-1	CSc1ncc2[nH]c(C)nc2n1	CSc1ncc2[n-]c(C)nc2n1	mol10203	CSc1ncc2[nH]c(C)nc2n1
2.83	IUPAC digitized pKa	1	0	CSc1ncc2[nH]c(C)nc2[nH+]1,CSc1ncc2[nH]c(C)[nH+]c2n1,CSc1nc2nc(C)[nH]c2c[nH+]1	CSc1ncc2[nH]c(C)nc2n1	mol10203	CSc1ncc2[nH]c(C)nc2n1
-1.03	IUPAC digitized pKa	2	1	CSc1ncc2[nH]c(C)[nH+]c2[nH+]1,CSc1nc2[nH+]c(C)[nH]c2c[nH+]1,CSc1[nH+]cc2[nH]c(C)nc2[nH+]1	CSc1ncc2[nH]c(C)nc2[nH+]1,CSc1ncc2[nH]c(C)[nH+]c2n1,CSc1nc2nc(C)[nH]c2c[nH+]1	mol10203	CSc1ncc2[nH]c(C)nc2n1