0  B8R0.4  CCOCCOCCO D08904 [2,0,0,0,0,0|2,0,0]=4
1  B12R0.234  C=CCCCCCCCCC(=O)O D02159 [0,2,0,0,0,0|0,0,2]=4
2  B12R0.248  CCCCCCCCCC(=O)NO D01443 [0,2,0,0,0,0|0,0,1]=3