0  B10R0.71  CSCCCNCCCSC AIFCHEM-94546182626 [0,0,0,0,0,0|4,0,0]=4
1  B9R0.45  CSCCCNCCCO AIFCHEM-94546176663 [1,0,0,0,0,0|1,1,1]=4
2  B9R0.45  CSCCCNCCSC AIFCHEM-94546185745 [1,0,0,0,0,0|2,0,1]=4