pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-3.39	AttenGpKa training set	2	1	O=S(=O)(O)c1cc(/[NH+]=[NH+]/c2ccc(Cl)cc2)c(O)c2ccccc12	O=S(=O)(O)c1cc(/N=[NH+]/c2ccc(Cl)cc2)c(O)c2ccccc12,O=S(=O)(O)c1cc(/[NH+]=N/c2ccc(Cl)cc2)c(O)c2ccccc12,O=S(=O)([O-])c1cc(/[NH+]=[NH+]/c2ccc(Cl)cc2)c(O)c2ccccc12	mol24994	O=S(=O)(O)c1cc(/N=N/c2ccc(Cl)cc2)c(O)c2ccccc12