0 B13R1.140 CC(C)(C)c1ccc(cc1)CC#N CM13664 [2,0,0,0,0,0|1,0,1]=4 1 B13R1.338 CC(C)(C)c1ccc(cc1)C(=O)O CM12555 [1,0,0,0,1,0|0,0,0]=2