0  B8R0.4  CCCCCCCCO DB12452 [0,0,0,0,0,0|1,0,2]=3
1  B9R0.2  CCCCCCCC(=O)O DB04519 [0,1,0,0,0,0|1,0,0]=2
2  B8R0.7  CCCCCCC(=O)O DB02938 [1,1,0,0,0,0|0,0,0]=2
3  B8R0.7  NCCCCCC(=O)O DB00513 [1,1,0,0,0,0|1,0,0]=3