CAS	Chemical Name	SMILES	#Obs_CA_with_S9	#in vitro predicted CA with S9	Metabo Smiles	Reference
82-45-1	1-Aminoanthraquinone	Nc1cccc2c1C(=O)c1ccccc1C2=O	in vitro CA negative	in vitro CA positive	Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O	NIHS Japan
128-95-0	1,4-Diamino-anthraquinone	Nc1ccc(N)c2c1C(=O)c1ccccc1C2=O	in vitro CA positive	in vitro CA positive	Nc1ccc(N)c2c1C(=O)c1ccccc1C2=O	Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test in vitro, Revised Edition. Life-Science Information Center, Tokyo, Japan
2475-45-8	c.i. disperse blue 1	Nc1ccc(N)c2c1C(=O)c1c(N)ccc(N)c1C2=O	in vitro CA positive	in vitro CA positive	Nc1ccc(N)c2c1C(=O)c1c(N)ccc(N)c1C2=O	Anderson, Be., Zeiger, E., Shelby, Md., Resnick, Ma., Gulati, Dk., Ivett, Jl. And Loveday, Ks.; Chromosome Aberration And Sister Chromatid Exchange Test Results With 42 Chemicals; Environ.Mol. Mutagen. 16(Suppl. 18):55-137, 1990