0  B9R1.8  CCCC1=NCCCC1 C10138 [1,0,0,0,0,0|1,0,2]=4
1  B9R1.8  CCC[C@H]1CCCCN1 C06523 [1,0,0,0,0,0|1,0,1]=3
2  B9R0.2  CCCCCCCC(=O)O C06423 [0,0,1,0,0,0|0,0,0]=1
3  B9R0.2  O=C(O)CCCCCCS C16593 [0,0,1,0,0,0|1,0,0]=2
4  B9R0.2  O=CCCCCCC(=O)O C16590 [0,0,1,0,0,0|1,0,1]=3
5  B9R0.14  [*]OC[C@H](CO)OC(C)=O C03820 [0,0,1,0,0,0|3,0,0]=4
6  B8R0.4  CCCCCCCC=O C01545 [1,0,1,0,0,0|0,0,0]=2
7  B8R0.4  CCCCCCCCN C01740 [1,0,1,0,0,0|1,0,1]=4
8  B8R0.4  CCCCCCCCO C00756 [1,0,1,0,0,0|0,0,1]=3
9  B8R0.4  CCCCC\C=C\C=O C21138 [1,0,1,0,0,0|0,0,2]=4
10  B8R0.7  CCCCCCC(=O)O C17714 [1,0,1,0,0,0|0,0,0]=2
11  B8R0.7  NCCCCCC(=O)O C02378 [1,0,1,0,0,0|1,0,0]=3
12  B8R0.7  O=C(O)CCCCCO C06103 [1,0,1,0,0,0|1,0,0]=3
13  B8R0.7  O=CCCCCC(=O)O C06102 [1,0,1,0,0,0|1,0,1]=4
14  B8R0.6  C=CC(=O)OCCCC C10921 [1,0,1,0,0,0|0,0,2]=4
15  B8R0.6  CCCCCC(=O)CC C17145 [1,0,1,0,0,0|1,0,0]=3
16  B8R0.6  CCCCCC(=O)NC C02722 [1,0,1,0,0,0|2,0,0]=4
17  B8R0.6  CCCCCC(O)CC C17144 [1,0,1,0,0,0|1,0,1]=4
18  B8R0.22  CCCN(CCC)N=O C19279 [1,0,1,0,0,0|2,0,0]=4
19  B8R1.4  C[C@H]1CC=CC(=O)O1 C08502 [2,0,0,0,0,0|0,0,2]=4
20  B8R1.4  O=C1CCCC(O)C1 C03228 [2,0,0,0,0,0|2,0,0]=4
21  B10R0.4  CCCCCCCCC(=O)O C01601 [0,1,1,0,0,0|0,0,0]=2
22  B10R0.6  CCCCCC(O)CC(=O)O C20793 [0,1,1,0,0,0|0,0,0]=2
23  B10R0.74  [*]NC(=O)CCCCCCC C16236 [0,1,1,0,0,0|1,0,0]=3
24  B10R0.74  [*]SC(=O)CCCCCCC C05752 [0,1,1,0,0,0|0,1,0]=3
25  B10R0.75  CNCCCC[C@H](N)C(=O)O C02728 [0,1,1,0,0,0|1,0,0]=3
26  B10R0.75  CSCCCCC(=O)C(=O)O C17216 [0,1,1,0,0,0|1,0,1]=4
27  B10R0.75  CSCCCC[C@H](N)C(=O)O C17217 [0,1,1,0,0,0|1,0,0]=3
28  B10R0.75  N[C@@H](CCCCNO)C(=O)O C01028 [0,1,1,0,0,0|2,0,0]=4
29  B10R0.97  CC(=O)NCCCCC(=O)O C03087 [0,1,1,0,0,0|1,0,1]=4
30  B10R0.97  O=C(O)CCCCCC(=O)O C02656 [0,1,1,0,0,0|1,0,1]=4
31  B10R0.2  CCCC(=O)CC(=O)CCC C02445 [0,1,1,0,0,0|1,0,1]=4
32  B10R0.2  CCC[C@@H](O)CC(=O)OCC C03864 [0,1,1,0,0,0|2,0,0]=4
33  B10R0.2  CCC[C@H](O)CC(=O)OCC C03865 [0,1,1,0,0,0|2,0,0]=4
34  B10R1.1  CCC[C@H]1CC[C@H](O)CN1 C10168 [1,1,0,0,0,0|1,0,1]=4
35  B10R1.4  CCC[C@H]1CCCCN1C C10159 [1,1,0,0,0,0|1,0,1]=4
36  B10R1.15  [C@H]1([C@H](O)CC)CCCCN1 C19983 [1,1,0,0,0,0|1,0,1]=4
37  B10R1.64  C[C@@H](O)C[C@H]1CCCN1C C10152 [0,1,0,0,1,0|2,0,0]=4
38  B10R1.149  [*]CC([*])N1CCCC1=O C08043 [0,1,0,0,1,0|2,0,0]=4
39  B10R1.149  [*]CC([*])N1CCCC1=O C19509 [0,1,0,0,1,0|2,0,0]=4
40  B10R1.348  O=C(O)C1CCCCCC1 C12104 [0,0,1,1,0,0|0,0,0]=2
41  B12R2.1154  CN1C2CCCC1CC(=O)C2 C10865 [0,1,0,1,0,0|2,0,0]=4
42  B12R2.612  [C@H]12CC[C@@H](C)[C@H]1COC(=O)C2 C09772 [0,1,0,1,0,0|2,0,0]=4