0  B9R0.45  CCCCCCCCCO 770 [1,0,0,0,0,0|2,0,1]=4
1  B8R0.7  CCCCCCC(=O)C 764 [2,0,0,0,0,0|0,0,0]=2
2  B12R1.318  CCCC(=O)NC1CCOC1=O 952 [0,1,0,1,0,0|1,0,1]=4