0  B11R1.21  C=C([C@@H]1CC(C(=CC1)C)=O)C      AK116586 [0,0,0,0,0,0|0,0,0]=0
1  B10R1.13  CC1=CCC(C(C)=O)CC1      AK-49974 [1,0,0,0,0,0|1,0,1]=3
2  B11R1.3  OCC1=CCC(C(C)=C)CC1      AK117744 [1,1,0,0,0,0|0,0,1]=3
3  B11R1.126  O=CCC1C(C)(C)C(C)=CC1      AK-36872 [0,0,1,1,0,0|0,0,2]=4