CAS	Chemical Name	SMILES	#Obs_CA_with_S9	#in vitro predicted CA with S9	Metabo Smiles	Reference
102-76-1	lyceryl triacetate (triacetin)	CC(=O)OCC(COC(C)=O)OC(C)=O	in vitro CA positive	in vitro CA positive	CC(=O)OCC(O)CO	NIHS Japan