pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.77	Baltruschat ChEMBL	0	-1	CNS(=O)(=O)c1ccc(N)cc1	C[N-]S(=O)(=O)c1ccc(N)cc1	mol20281	CNS(=O)(=O)c1ccc(N)cc1
2.2	AttenGpKa training set	1	0	C[NH2+]S(=O)(=O)c1ccc(N)cc1,CNS(=O)(=O)c1ccc([NH3+])cc1	CNS(=O)(=O)c1ccc(N)cc1	mol20281	CNS(=O)(=O)c1ccc(N)cc1