0  B8R0.4  CNCCCCCCO AT11159 [0,0,0,0,0,0|2,1,1]=4
1  B7R0.1  CNCCCCCO AT11157 [1,0,0,0,0,0|1,1,1]=4
2  B7R0.1  CNCCCCCO AT11158 [1,0,0,0,0,0|1,1,1]=4
3  B7R0.1  C\C=C/CCCCC T72919 [1,0,0,0,0,0|2,0,1]=4
4  B6R0.6  CCNCCSC AT25567 [2,0,0,0,0,0|1,0,1]=4
5  B6R0.6  COCCCCN C77605 [2,0,0,0,0,0|0,1,1]=4
6  B6R0.6  COCCN=C=O D87777 [2,0,0,0,0,0|0,2,0]=4
7  B6R0.6  CSCCN=C=S AT25553 [2,0,0,0,0,0|0,0,0]=2
8  B6R0.6  [2H]OCCCCC D99155 [2,0,0,0,0,0|2,0,0]=4