0  B10R0.71  CCCCCCCCCC=O T8086 [0,0,0,0,0,0|0,0,0]=0
1  B10R0.71  CCCCCCCCCCF T21116 [0,0,0,0,0,0|1,0,1]=2
2  B9R0.45  NCCCCNCCCN T4893 [1,0,0,0,0,0|3,0,0]=4
3  B9R0.45  NCCCCNCCCN T5080 [1,0,0,0,0,0|3,0,0]=4
4  B11R0.3  CCCCCCCCCCCO T7480 [0,1,0,0,0,0|0,0,2]=3
5  B11R0.40  CCCCCCCCC(C)C#N T21189 [0,1,0,0,0,0|1,0,1]=3
6  B11R0.148  CCCCCCCCCC(=O)O T3379 [0,1,0,0,0,0|0,0,0]=1
7  B11R0.148  CCCCCCCCCC(=O)[O-] T21240 [0,1,0,0,0,0|0,0,0]=1
8  B11R0.148  CCCCCCCCCC(C)=O T8017 [0,1,0,0,0,0|0,0,0]=1
9  B11R0.148  CCCCCCCCOC(C)=O T5667 [0,1,0,0,0,0|1,0,0]=2
10  B11R0.148  CCCCCCC\C=C/C(=O)O TQ0251 [0,1,0,0,0,0|0,0,2]=3
11  B11R0.148  CCCCCCC\C=C\C(=O)O T7332 [0,1,0,0,0,0|0,0,2]=3
12  B11R0.148  N=C(N)NCCCCCCCN T11372 [0,1,0,0,0,0|3,0,0]=4
13  B8R0.4  CCCCCCCCO T10024 [2,0,0,0,0,0|0,0,1]=3
14  B8R0.4  NCCCCCCCN T7998 [2,0,0,0,0,0|2,0,0]=4
15  B10R0.4  CCCCCCCCC(=O)O T3947 [1,1,0,0,0,0|0,0,0]=2
16  B10R0.4  NCCCCCCCC(=O)O T8102 [1,1,0,0,0,0|1,0,0]=3
17  B10R0.91  CCCCCC(O)\C=C\C=O T10148 [1,1,0,0,0,0|0,0,2]=4
18  B12R0.234  C=CCCCCCCCCC(=O)O T0306 [0,2,0,0,0,0|0,0,1]=3
19  B12R0.234  C=CCCCCCCCCC(=O)[O-] T0744 [0,2,0,0,0,0|0,0,1]=3
20  B12R0.234  CC(=O)NCCCCNCCCN T19466 [0,2,0,0,0,0|2,0,0]=4
21  B12R0.234  CCCCCCCCCCC(=O)O T3948 [0,2,0,0,0,0|0,0,0]=2
22  B12R0.234  CCCCCCCC\C=C\C(=O)O T19589 [0,2,0,0,0,0|0,0,1]=3
23  B12R0.234  O=C(O)CCCCCCCCCO TMO2685 [0,2,0,0,0,0|0,0,0]=2
24  B12R0.234  O=C(O)\C=C\CCCCCCCO T3250 [0,2,0,0,0,0|0,0,2]=4
25  B12R0.4  CCCCCCCC(O)CC(=O)O T7565 [0,2,0,0,0,0|0,0,0]=2
26  B12R0.268  O=C(O)CCCCCCCC(=O)O T0926 [0,2,0,0,0,0|1,0,1]=4
27  B12R1.567  CCCCCC1=C(C)CCC1=O T8077 [0,1,0,1,0,0|0,0,2]=4
28  B12R1.255  NC(=O)CCCCC1CCSS1 T0823 [0,1,0,1,0,0|2,0,0]=4
29  B12R1.255  O=C(O)CCCCC1CCSS1 T0200 [0,1,0,1,0,0|2,0,0]=4