CAS	Chemical Name	SMILES	#Obs_CA_with_S9	#in vitro predicted CA with S9	Metabo Smiles
6098-44-8	n-acetoxy-2-acetylaminofluorene	CC(=O)N(c1ccc2c(Cc3ccccc-23)c1)OC(C)=O	in vitro CA positive	in vitro CA positive	CC(=O)N(c1ccc2c(Cc3ccccc-23)c1)OC(C)=O