pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-0.69	Baltruschat ChEMBL	2	1	[NH3+]c1c(S(=O)(=O)c2ccccc2)sc2[nH+]c(-c3ccccc3)cc(-c3ccccc3)c12	[NH3+]c1c(S(=O)(=O)c2ccccc2)sc2nc(-c3ccccc3)cc(-c3ccccc3)c12,Nc1c(S(=O)(=O)c2ccccc2)sc2[nH+]c(-c3ccccc3)cc(-c3ccccc3)c12	mol16378	Nc1c(S(=O)(=O)c2ccccc2)sc2nc(-c3ccccc3)cc(-c3ccccc3)c12