CAS	Chemical Name	SMILES	#Obs_CA_with_S9	#in vitro predicted CA with S9	Metabo Smiles	Reference
4461-52-3	methanol,_methoxy-	COCO	in vitro CA positive	in vitro CA positive	COCO	NIHS Japan
108-74-7	1,3,5-Triazine, hexahydro-1,3,5-trimethyl-	CN1CN(C)CN(C)C1	in vitro CA positive	in vitro CA positive	CN1CN(C)CN(C)C1; CN1CNCN(C)C1; CN1CNCNC1	ECHA Legal notice, Registration dossier, Hexahydro-1,3,5-Trimethyl-1,3,5-Triazine, Exp Key Genetic Toxicity In Vitro.002; https://echa.europa.eu/registration-dossier/-/registered-dossier/13293