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	CNN	"Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test in vitro, Revised Edition. Life-Science Information Center, Tokyo, Japan"
59-87-0	Nitrofurazone	NC(=O)NN=CC1=CC=C(N(=O)=O)O1	in vitro CA positive	in vitro CA positive	NN=CC1=CC=C(N(=O)=O)O1; NN=CC1=CC=C(NO)O1; NC1=CC=C(C=NN)O1	"Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test in vitro, Revised Edition. Life-Science Information Center, Tokyo, Japan"
306-37-6	"1,2-Dimethylhydrazine hydrochloride"	Cl_Cl_CNNC	in vitro CA positive	in vitro CA positive	CNN	"Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test in vitro, Revised Edition. Life-Science Information Center, Tokyo, Japan"
80-51-3	"benzenesulfonic acid, 4,4'-oxybis-, dihydrazide"	NNS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)NN)cc2)cc1	in vitro CA positive	in vitro CA positive	NNS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)NN)cc2)cc1	NIHS Japan
54-85-3	Isoniazid	NNC(=O)c1ccncc1	in vitro CA positive	in vitro CA positive	NNC(=O)c1ccncc1; NNC(=O)c1ccncc1O; NNC(=O)c1ccn(=O)cc1	Ishidate MJr (Ed.): Data Book of Chromosomal Aberration Test In Vitro LIC/Tokyo; Elsevier/Amsterdam(1998)
60-34-4	Methylhydrazine	CNN	in vitro CA positive	in vitro CA positive	CNN	"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; 1996"
100-63-0	phenylhydrazine	NNc1ccccc1	in vitro CA positive	in vitro CA positive	NNc1ccccc1	"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. 2), 2000"