CAS	Chemical Name	SMILES	#Obs_CA_with_S9	#in vitro predicted CA with S9	Metabo Smiles
509-14-8	tetranitromethane; methane, tetranitro-	O=N(=O)C(N(=O)=O)(N(=O)=O)N(=O)=O	in vitro CA positive	in vitro CA positive	O=N(=O)C(N(=O)=O)(N(=O)=O)N(=O)=O