CAS	Chemical Name	SMILES	#Obs_CA_with_S9	#in vitro predicted CA with S9	Metabo Smiles	Reference
366-70-1	Procarbazine hydrochloride	CC(C)NC(=O)c1ccc(CNNC)cc1_Cl	in vitro CA negative	in vitro CA positive	CN{+}#N	"Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test in vitro, Revised Edition. Life-Science Information Center, Tokyo, Japan"
842-07-9	c.i. solvent yellow 14	Oc1ccc2ccccc2c1N=Nc1ccccc1	in vitro CA negative	in vitro CA positive	N#N{+}c1ccccc1	"Ivett, J.L., Brown, B.M., Rodgers, C., Anderson, B.E., Resnick, M.A., Zeiger,  E., Chromosomal aberrations and sister chromatid exchange tests in Chinese hamster ovary cells in vitro. IV. Results with 15 chemicals. Environ. Mol. Mutagen., 1989,14(3),165-187."