pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.97	IUPAC digitized pKa	1	0	CSc1nc(C)c(NC(C)=O)c([NH3+])n1,CSc1nc(N)c(NC(C)=O)c(C)[nH+]1,CSc1nc(C)c(NC(C)=O)c(N)[nH+]1	CSc1nc(C)c(NC(C)=O)c(N)n1	mol7102	CSc1nc(C)c(NC(C)=O)c(N)n1
4.02	AttenGpKa training set	1	0	CSc1nc(C)c(NC(C)=O)c([NH3+])n1,CSc1nc(N)c(NC(C)=O)c(C)[nH+]1,CSc1nc(C)c(NC(C)=O)c(N)[nH+]1	CSc1nc(C)c(NC(C)=O)c(N)n1	mol7102	CSc1nc(C)c(NC(C)=O)c(N)n1