pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.66	IUPAC digitized pKa	0	-1	CS(=O)(=O)c1nc2nc(N)ncc2[nH]1	CS(=O)(=O)c1nc2nc(N)ncc2[n-]1	mol8263	CS(=O)(=O)c1nc2nc(N)ncc2[nH]1
5.61	AttenGpKa training set	0	-1	CS(=O)(=O)c1nc2nc(N)ncc2[nH]1	CS(=O)(=O)c1nc2nc(N)ncc2[n-]1	mol8263	CS(=O)(=O)c1nc2nc(N)ncc2[nH]1
2.08	AttenGpKa training set	1	0	CS(=O)(=O)c1nc2nc([NH3+])ncc2[nH]1,CS(=O)(=O)c1nc2[nH+]c(N)ncc2[nH]1,CS(=O)(=O)c1nc2nc(N)[nH+]cc2[nH]1,CS(=O)(=O)c1[nH]c2cnc(N)nc2[nH+]1	CS(=O)(=O)c1nc2nc(N)ncc2[nH]1	mol8263	CS(=O)(=O)c1nc2nc(N)ncc2[nH]1