pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.66	IUPAC digitized pKa	1	0	CSc1nc(N)c(NC=O)c[nH+]1,CSc1ncc(NC=O)c([NH3+])n1,CSc1ncc(NC=O)c(N)[nH+]1	CSc1ncc(NC=O)c(N)n1	mol7067	CSc1ncc(NC=O)c(N)n1
3.71	AttenGpKa training set	1	0	CSc1nc(N)c(NC=O)c[nH+]1,CSc1ncc(NC=O)c([NH3+])n1,CSc1ncc(NC=O)c(N)[nH+]1	CSc1ncc(NC=O)c(N)n1	mol7067	CSc1ncc(NC=O)c(N)n1