pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-9.75	AttenGpKa training set	1	0	CS(=O)(=O)c1cc([N+](=O)[O-])c([NH3+])c([N+](=O)[O-])c1	CS(=O)(=O)c1cc([N+](=O)[O-])c(N)c([N+](=O)[O-])c1	mol24078	CS(=O)(=O)c1cc([N+](=O)[O-])c(N)c([N+](=O)[O-])c1