CAS	Chemical Name	SMILES	#Obs_CA_with_S9	#in vitro predicted CA with S9	Metabo Smiles	Reference
59-87-0	Nitrofurazone	NC(=O)NN=CC1=CC=C(N(=O)=O)O1	in vitro CA positive	in vitro CA positive	NC(=O)NN=CC1=CC=C(NO)O1; NN=CC1=CC=C(NO)O1	Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test in vitro, Revised Edition. Life-Science Information Center, Tokyo, Japan
67-20-9	1-[(5-Nitrofurfurylidene)Amino]Hydantoin	O=C1CN(N=CC2=CC=C(N(=O)=O)O2)C(=O)N1	in vitro CA positive	in vitro CA positive	ONC1=CC=C(C=NN2CC(=O)NC2=O)O1	Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test in vitro, Revised Edition. Life-Science Information Center, Tokyo, Japan
3688-53-7	2-(2-furyl)-3-(5-nitro-2-furyl)acrylamide; Furylfuramide	NC(=O)C(=CC1=CC=C(N(=O)=O)O1)C1=CC=CO1	in vitro CA positive	in vitro CA positive	NC(=O)C(=CC1=CC=C(NO)O1)C1=CC=CO1	U.S.Environmental Protection Agency Gene-Tox Program. Mutation Research, 168, (1996) pp. 69-240