pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.5	Baltruschat ChEMBL	0	-1	COc1ccc(Cn2cc(C(=O)NS(C)(=O)=O)c(=O)c3c(F)ccc(F)c32)cc1	COc1ccc(Cn2cc(C(=O)[N-]S(C)(=O)=O)c(=O)c3c(F)ccc(F)c32)cc1	mol17659	COc1ccc(Cn2cc(C(=O)NS(C)(=O)=O)c(=O)c3c(F)ccc(F)c32)cc1