CAS	Chemical Name	SMILES	#Obs_CA_with_S9	Reference
3817-11-6	Butylhydroxybutylnitrosamine	CCCCN(CCCCO)N=O	in vitro CA positive	"Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test in vitro, Revised Edition. Life-Science Information Center, Tokyo, Japan"
62-75-9	"n,n-dimethylnitrosamine"	CN(C)N=O	in vitro CA positive	"Loveday, Ks., Lugo, Mh., Resnick, Ma., Anderson, Be., Zeiger, E.; Chromosome Aberration And Sister Chromatid Exchange Tests In Chinese Hamster Ovary Cells In Vitro: Ii. Results with 20 Chemicals; Environ. Mol. Mutagen. 13(1), 60-94, 1989"
154-93-8	carmustine	O=C(NCCCl)N(CCCl)N=O	in vitro CA positive	"Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test in vitro, Revised Edition. Life-Science Information Center, Tokyo, Japan"
614-95-9	N-Ethyl-N-nitrosourethane	CCN(C(=O)OCC)N=O	in vitro CA positive	"Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test in vitro, Revised Edition. Life-Science Information Center, Tokyo, Japan"
759-73-9	n-ethyl-n-nitrosourea	CCN(C(N)=O)N=O	in vitro CA positive	"Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test in vitro, Revised Edition. Life-Science Information Center, Tokyo, Japan"
816-57-9	1-Propyl-nitrosourea	CCCN(C(N)=O)N=O	in vitro CA positive	"Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test in vitro, Revised Edition. Life-Science Information Center, Tokyo, Japan"
869-01-2	1-Butyl-1-nitrosourea	CCCCN(C(N)=O)N=O	in vitro CA positive	"Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test in vitro, Revised Edition. Life-Science Information Center, Tokyo, Japan"
6558-78-7	N-Butyl-N-nitrosourethane	CCCCN(C(=O)OCC)N=O	in vitro CA positive	"Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test in vitro, Revised Edition. Life-Science Information Center, Tokyo, Japan"
10589-74-9	"Urea,_N-nitroso-N-pentyl-"	CCCCCN(C(N)=O)N=O	in vitro CA positive	"Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test in vitro, Revised Edition. Life-Science Information Center, Tokyo, Japan"
13010-07-6	n'-nitro-n-nitroso-n-propylguanidine	CCCN(C(=N)NN(=O)=O)N=O	in vitro CA positive	"Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test in vitro, Revised Edition. Life-Science Information Center, Tokyo, Japan"
13010-08-7	3-butyl-1-nitro-3-nitrosoguanidine	CCCCN(C(=N)NN(=O)=O)N=O	in vitro CA positive	"Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test in vitro, Revised Edition. Life-Science Information Center, Tokyo, Japan"
13010-10-1	n'-nitro-n-pentyl-n-nitrosoguanidine	CCCCCN(C(=N)NN(=O)=O)N=O	in vitro CA positive	"Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test in vitro, Revised Edition. Life-Science Information Center, Tokyo, Japan"
19935-86-5	N-Propyl-N-nitrosorethane	CCCN(C(=O)OCC)N=O	in vitro CA positive	"Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test in vitro, Revised Edition. Life-Science Information Center, Tokyo, Japan"
56654-52-5	"1,3-Dibutyl-3-nitroso_urea"	CCCCNC(=O)N(CCCC)N=O	in vitro CA positive	"Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test in vitro, Revised Edition. Life-Science Information Center, Tokyo, Japan"
56986-35-7	"1-Butanol,_1-(butylnitrosoamino)-,_acetate_(ester)"	CCCCN(C(CCC)OC(C)=O)N=O	in vitro CA positive	"Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test in vitro, Revised Edition. Life-Science Information Center, Tokyo, Japan"
56986-37-9	N-sec-Butyl-N-(acetoxymethyl)nitrosamine	CCC(C)N(COC(C)=O)N=O	in vitro CA positive	"Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test in vitro, Revised Edition. Life-Science Information Center, Tokyo, Japan"
64005-62-5	N-Amyl-N-nitrosourethane	CCCCCN(C(=O)OCC)N=O	in vitro CA positive	"Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test in vitro, Revised Edition. Life-Science Information Center, Tokyo, Japan"
1116-54-7	N-nitrosodiethanolamine	OCCN(CCO)N=O	in vitro CA positive	"Danish EPA Inventory, Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan."
49606-40-8	"1,1'-Ethylenebis(1-nirosourea)"	NC(=O)N(CCN(C(N)=O)N=O)N=O	in vitro CA positive	"Danish EPA Inventory, Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan."
59665-11-1	"Acetamide, N-(methylnitrosoaminomethyl)-"	CC(=O)NCN(C)N=O	in vitro CA positive	"Danish EPA Inventory, Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan."
70-25-7	N-Methyl-N'-Nitro-N-Nitrosoguanidine	CN(C(=N)NN(=O)=O)N=O	in vitro CA positive	"Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test in vitro, Revised Edition. Life-Science Information Center, Tokyo, Japan"
13909-09-6	Semustine	CC1CCC(NC(=O)N(CCCl)N=O)CC1	in vitro CA positive	"Shah VC, Vyas RC, Adhvaryu SG; Cytogenetic effects of Me-CCNU on sister chromatid exchange frequency, cellular kinetics and chromosome aberrations. Neoplasma [1986, 33(1):33-37]"
33868-17-6	methylnitrosocyanamide	CN(C#N)N=O	in vitro CA positive	"MAMMALIAN IN VIVO AND IN VITRO CYTOGENETIC ASSAYS: A REPORT OF THE U.S. EPA'S GENE-TOX PROGRAM; MUTAT RES 87:143-188,1981"
924-16-3	n-nitrosodibutylamine	CCCCN(CCCC)N=O	in vitro CA negative	"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	"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	NIHS Japan
54-85-3	Isoniazid	NNC(=O)c1ccncc1	in vitro CA positive	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	"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	"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"
366-70-1	Procarbazine hydrochloride	CC(C)NC(=O)c1ccc(CNNC)cc1_Cl	in vitro CA negative	"Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test in vitro, Revised Edition. Life-Science Information Center, Tokyo, Japan"
760-60-1	Urea,_N-(2-methylpropyl)-N-nitroso-	CC(C)CN(C(N)=O)N=O	in vitro CA positive	in vitro CA positive	NC(=O)N=NO
5461-85-8	Isobutylnitrosonitroguanidine	CC(C)CN(C(=N)NN(=O)=O)N=O	in vitro CA positive	in vitro CA positive	N=C(NN(=O)=O)N=NO; ON=NC(=O)NN(=O)=O; NC(=NN(=O)=O)N=NO
24423-85-6	N-isobutyl-n-nitrosourethane	CCOC(=O)N(CC(C)C)N=O	in vitro CA positive	in vitro CA positive	CCOC(=O)N=NO; OC(=O)N=NO