pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.03	IUPAC digitized pKa	1	0	CSc1ncc(N)c(N)[nH+]1,CSc1ncc(N)c([NH3+])n1,CSc1nc(N)c(N)c[nH+]1,CSc1ncc([NH3+])c(N)n1	CSc1ncc(N)c(N)n1	mol4150	CSc1ncc(N)c(N)n1
5.05	AttenGpKa training set	1	0	CSc1ncc(N)c(N)[nH+]1,CSc1ncc(N)c([NH3+])n1,CSc1nc(N)c(N)c[nH+]1,CSc1ncc([NH3+])c(N)n1	CSc1ncc(N)c(N)n1	mol4150	CSc1ncc(N)c(N)n1