CAS	Chemical Name	SMILES	#Obs_CA_with_S9	#in vitro predicted CA with S9	Metabo Smiles
226-36-8	Dibenz(a,h)acridine	c1cccc2ccc3cc4c5ccccc5ccc4nc3c12	in vitro CA negative	in vitro CA positive	Oc1cc2c(c3ccccc13)C(=O)c1ccc3ccccc3c1N2
224-42-0	Dibenz(a,j)acridine	c1cccc2ccc3c(cc4c5ccccc5ccc4n3)c12	in vitro CA positive	in vitro CA positive	Oc1cc2c(c3ccccc13)C(=O)c1c3ccccc3ccc1N2
224-53-3	Dibenz(c,h)acridine	c1cccc2ccc3cc4ccc5ccccc5c4nc3c12	in vitro CA positive	in vitro CA negative	O=C1c2ccc3ccccc3c2Nc2c1ccc1ccccc21
260-94-6	Acridine	c1cccc2cc3ccccc3nc12	in vitro CA positive	in vitro CA positive	Oc1ccc2c(c1)Nc1ccccc1C2=O
3105-97-3	Hycanthone	CCN(CC)CCNc1ccc(CO)c2c1C(=O)c1ccccc1S2	in vitro CA positive	in vitro CA positive	CCN(CC)CCNc1ccc(CO)c2c1C(=O)c1ccccc1S2