pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.4	OCHEM	0	-1	CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C	CC(=O)/N=c1/sc(S([NH-])(=O)=O)nn1C	mol17309	CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C
7.2	Baltruschat ChEMBL	0	-1	CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C	CC(=O)/N=c1/sc(S([NH-])(=O)=O)nn1C	mol17309	CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C