0  B7R0.1  C=CCSSCC=C TN1576 [0,0,0,0,0,0|0,0,2]=2
1  B7R0.1  CCCCCCCO TN6893 [0,0,0,0,0,0|3,0,1]=4
2  B7R0.1  CCCSSCCC TN6758 [0,0,0,0,0,0|0,0,2]=2
3  B7R0.1  NCCSSCCN T15035 [0,0,0,0,0,0|2,0,1]=3
4  B7R0.1  NCCSSCCN T20109 [0,0,0,0,0,0|2,0,1]=3
5  B7R0.1  NCCSSCCO T14257 [0,0,0,0,0,0|2,0,1]=3
6  B6R0.6  CCC/C=C/C=O T8099 [1,0,0,0,0,0|2,0,1]=4
7  B6R0.6  CCC/C=C/CO TN5162 [1,0,0,0,0,0|3,0,0]=4
8  B6R0.6  CCCCCCO TN6891 [1,0,0,0,0,0|2,0,1]=4
9  B8R0.4  C=CCSSSCC=C T8693 [0,1,0,0,0,0|0,0,2]=3
10  B8R0.7  CCCCCCC(C)=O TN6693 [0,1,0,0,0,0|2,0,1]=4
11  B8R1.5  CC1CCCCC1=O T36789 [0,0,0,1,0,0|3,0,0]=4
12  B5R0.2  CCCSSC T39668 [2,0,0,0,0,0|0,0,0]=2
13  B9R0.2  NCCSSCCC(O)=O T14258 [0,2,0,0,0,0|1,0,1]=4
14  B9R0.45  C=CCCC/C=C\CC=C T31277 [0,2,0,0,0,0|2,0,0]=4
15  B9R0.45  C=CCCCCCCCC T21040 [0,2,0,0,0,0|2,0,0]=4
16  B9R1.50  OC1CCC/C=C/CC1 T18751 [0,1,0,1,0,0|2,0,0]=4
17  B9R1.50  O[C@@H]1CCC/C=C/CC1 T18648 [0,1,0,1,0,0|2,0,0]=4