0  B9R0.2  CCCCCCCC(=O)O T3946 [1,0,0,0,0,0|0,0,0]=1
1  B8R0.7  CCCCCCC(=O)O T3945 [2,0,0,0,0,0|0,0,0]=2
2  B10R0.4  CCCCCCCCC(=O)O T3947 [1,1,0,0,0,0|0,0,0]=2
3  B10R0.97  O=C(O)CCCCCC(=O)O T4795 [1,1,0,0,0,0|1,0,1]=4