CAS	Chemical Name	SMILES	#Obs_CA_with_S9	#in vitro predicted CA with S9	Metabo Smiles
75-34-3	1,1-Dichloroethane	CC(Cl)Cl	in vitro CA negative	in vitro CA positive	CCCl
109-69-3	N-butyl chloride	CCCCCl	in vitro CA negative	in vitro CA positive	CCCCCl
74-96-4	bromoethane	CCBr	in vitro CA negative	in vitro CA positive	CCBr
75-26-3	2-bromopropane	CC(C)Br	in vitro CA positive	in vitro CA positive	CC(C)Br