CAS	Chemical Name	SMILES	#Obs_CA_with_S9	#in vitro predicted CA with S9	Metabo Smiles	Reference 
30516-87-1	Thymidine, 3'-azido-3'-deoxy-	CC1=CN(C2CC(N=N#N)C(CO)O2)C(=O)NC1=O	in vitro CA positive	in vitro CA positive	CC1=CN(C2CC(N=N#N)C(CO)O2)C(=O)NC1=O; N#N=NC1CC(N2C=C(CO)C(=O)NC2=O)OC1CO	C.M. González, I. Larripa, Genotoxic activity of azidothymidine (AZT) in in vitro systems, Mutat. Res. 321 (1994) 113-118.