CAS	Chemical Name	SMILES	#Obs_CA_with_S9	#in vitro predicted CA with S9	Metabo Smiles Reference
75-34-3	1,1-Dichloroethane	CC(Cl)Cl	in vitro CA negative	in vitro CA positive	CC(=O)Cl	Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test in vitro, Revised Edition. Life-Science Information Center, Tokyo, Japan
611-19-8	benzene, 1-chloro-2-(chloromethyl)-	ClCc1ccccc1Cl	in vitro CA positive	in vitro CA positive	O=C(Cl)c1ccccc1Cl	NIHS Japan
71-55-6	1,1,1-trichloroethane; Ethane, 1,1,1-trichloro-; Chlorten	CC(Cl)(Cl)Cl	in vitro CA positive	in vitro CA positive	CC(=O)Cl	Galloway, Sm, et al.; Chromosome Aberrations And Sister Chromatid Exchanges In Chinese Hamster Ovary Cells: Evaluations Of 108 Chemicals; Environ. Mol. Mutagen. 10(Suppl. 10):1-175, 1987
100-44-7	Benzyl chloride	ClCc1ccccc1	in vitro CA positive	in vitro CA positive	O=C(Cl)c1ccccc1	Japan Chemical Industry Ecology- Toxicology And Information Center, Japan; Mutagenicity Test Data Of Existing Chemical Substances Based On The Toxicity Investigation Of The Industrial Safety And Health Law; (Suppl), 1997
5216-25-1	alpha,alpha,alpha-Trichloro-4-chlorotoluene	Clc1ccc(C(Cl)(Cl)Cl)cc1	in vitro CA positive	in vitro CA positive	O=C(Cl)c1ccc(Cl)cc1	Japan Chemical Industry Ecology- Toxicology And Information Center, Japan; Mutagenicity Test Data Of Existing Chemical Substances Based On The Toxicity Investigation Of The Industrial Safety And Health Law; (Suppl), 1997