Code/trivial namea	Chemical name/SMILES notation	Structural formula
Oxetan‐3‐ol CGA 297691	Oxetan‐3‐ol OC1COC1
Saccharin CGA 27913	1,2‐benzothiazol‐3(2H)‐one 1,1‐dioxide O=C2NS(=O)(=O)c1ccccc12
OH‐Saccharin CGA‐223501	6‐hydroxy‐1,2‐benzothiazol‐3(2H)‐one 1,1‐dioxide Oc1ccc2c(c1)S(=O)(=O)NC2=O
CGA 340355 OH‐pyrimidine‐amine	(2‐amino‐6‐methylpyrimidin‐4‐yl)methanol Cc1cc(CO)nc(N)n1
N glucoside conjugate of CGA 120844	N‐[(2‐carboxyphenyl)sulfonyl]‐D‐glucopyranosylamine O=S(=O)(NC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c2ccccc2C(=O)O
M3	Unknown conjugate/ester of 6‐methyl‐2‐{[({2‐[(oxetan‐3‐yloxy)carbonyl]phenyl}sulfonyl)carbamoyl]amino}pyrimidine‐4‐carboxylic acid
CGA‐310785	1,3‐dihydroxypropan‐2‐yl 2‐{[(4,6‐dimethylpyrimidin‐2‐yl)carbamoyl]sulfamoyl}benzoate O=C(Nc1nc(C)cc(C)n1)NS(=O)(=O)c2ccccc2C(=O)OC(CO)CO
CGA‐177288	2‐sulfamoylbenzoic acid O=S(N)(=O)c1ccccc1C(=O)O
M5 CGA 171895	1,3‐dihydroxypropan‐2‐yl 2‐({[4‐(hydroxymethyl)‐6‐methylpyrimidin‐2‐yl]carbamoyl}sulfamoyl)benzoate O=C(Nc1nc(C)cc(CO)n1)NS(=O)(=O)c2ccccc2C(=O)OC(CO)CO
C‐1801	4,6‐dimethylpyrimidin‐2‐amine Cc1cc(C)nc(N)n1
OH‐CGA‐277476	oxetan‐3‐yl 2‐({[4‐(hydroxymethyl)‐6‐methylpyrimidin‐2‐yl]carbamoyl}sulfamoyl)benzoate O=C(OC1COC1)c2ccccc2S(=O)(=O)NC(=O)Nc3nc(C)cc(CO)n3
CGA 179710	1‐(4,6‐dimethylpyrimidin‐2‐yl)urea O=C(N)Nc1nc(C)cc(C)n1
Guanidine	Guanidine N=C(N)N
3‐Guanidino‐1‐butene	1‐but‐3‐en‐2‐ylguanidine N=C(N)NC(C)C=C

^a The compound name in bold is the name used in the conclusion.