0  B10R1.66  O=C(O)CCN1CCCC1 F11709 [0,0,0,0,0,0|4,0,0]=4
1  B10R1.66  O=C(O)CSC1CCCC1 W18221 [0,0,0,0,0,0|4,0,0]=4
2  B9R1.12  CNCCC1OCCO1 T71765 [1,0,0,0,0,0|3,0,0]=4
3  B9R1.12  O=CCCC1CCCC1 F16152 [1,0,0,0,0,0|2,0,0]=3
4  B9R0.2  C=CCCCCOC(C)=O D88421 [0,0,1,0,0,0|1,0,1]=3
5  B9R0.2  CCCCCCC[13C](=O)O 41418 [0,0,1,0,0,0|3,0,0]=4
6  B9R0.2  CCCCCCC[13C](=O)[O-] 41397 [0,0,1,0,0,0|3,0,0]=4
7  B9R0.2  CCCCC\C=C\C(C)=O D91739 [0,0,1,0,0,0|2,0,1]=4
8  B9R0.2  CN(C)CCCCCCO D89905 [0,0,1,0,0,0|3,0,0]=4
9  B9R0.48  CCC[C@H](C)CCC(C)=O D91303 [0,0,1,0,0,0|2,0,0]=3
10  B9R0.48  CCC[C@H](Cl)CCC(=O)Cl AC2948 [0,0,1,0,0,0|3,0,0]=4
11  B9R1.13  CC(=O)N[C@H]1CCNC1 D75567 [0,0,0,0,1,0|3,0,0]=4
12  B9R1.13  CN(C)C[C@H]1CCCN1 P20446 [0,0,0,0,1,0|3,0,0]=4
13  B9R1.13  O=C(Cl)CC1CCCC1 F11901 [0,0,0,0,1,0|2,0,0]=3
14  B11R1.91  NC(=O)CCC1CCNCC1 C80035 [0,0,0,0,0,1|3,0,0]=4
15  B11R1.91  O=C(O)CC[C@H]1CCCCN1 33375 [0,0,0,0,0,1|3,0,0]=4
16  B11R1.91  O=C(O)CC[C@H]1CCCNC1 28918 [0,0,0,0,0,1|3,0,0]=4
17  B8R0.4  C=CCCCCCCO F14752 [1,0,1,0,0,0|1,0,1]=4
18  B8R0.4  C\C=C\CCCCCC D91716 [1,0,1,0,0,0|2,0,0]=4
19  B8R0.7  C=CCCCOC(C)=O D88422 [1,0,1,0,0,0|0,0,2]=4
20  B8R0.7  CC(=O)NCCCCN H12005 [1,0,1,0,0,0|2,0,0]=4
21  B8R0.7  CCCCCO[N+](=O)[O-] D88263 [1,0,1,0,0,0|2,0,0]=4
22  B8R0.7  CCCC\C=C\C(C)=O D91847 [1,0,1,0,0,0|1,0,1]=4
23  B8R0.9  CC(=O)NC[C@@H](C)CN T70216 [1,0,1,0,0,0|2,0,0]=4
24  B8R0.1  CCCC[C@@H](O)CCC D91820 [1,0,1,0,0,0|1,0,1]=4
25  B8R0.1  CCC[C@H](C)COC=O D90641 [1,0,1,0,0,0|1,0,0]=3
26  B8R1.8  COC[C@H]1CCCN1 11151 [2,0,0,0,0,0|1,0,0]=3
27  B10R0.3  CCC[C@H](C)CCOC(C)=O T70972 [0,1,1,0,0,0|1,0,0]=3
28  B10R0.4  CCCCCC\C=C\C(C)=O 74304 [0,1,1,0,0,0|2,0,0]=4
29  B10R0.4  CCCC\C=C\COC(C)=O D88386 [0,1,1,0,0,0|1,0,1]=4
30  B10R0.74  C=CC(=O)OCCCCCC H12008 [0,1,1,0,0,0|1,0,1]=4
31  B10R0.74  CCCCCCCC(=O)CC D89798 [0,1,1,0,0,0|2,0,0]=4
32  B10R0.74  CCC\C=C\COC(=O)CC D92035 [0,1,1,0,0,0|1,0,1]=4
33  B12R1.51  CCCC(=O)OC[C@H]1CCCO1 D92411 [0,2,0,0,0,0|0,0,0]=2
34  B12R1.108  COC(=O)[C@@H](N)CC1CCCC1 67521 [0,2,0,0,0,0|2,0,0]=4
35  B10R2.178  O=C1CC[C@@H]2CO[C@H]1O2 AT22559 [1,0,0,1,0,0|2,0,0]=4
36  B10R2.71  O=C1CC2CCC(C1)N2 39147 [0,0,0,1,1,0|1,0,0]=3
37  B10R2.71  O=C1C[C@@H]2CC[C@H](C1)N2 78450 [0,0,0,1,1,0|1,0,0]=3
38  B12R2.1661  CC(=O)OC1C[C@@H]2C=C[C@H]1C2 FD14038 [0,0,0,1,0,1|1,0,1]=4
39  B8R0.16  C=C[C@H](CC)OC(C)=O D88448 [0,0,1,0,1,0|1,0,1]=4
40  B8R0.5  C=C(C)C[C@@H](C)CCC D89821 [0,0,1,0,1,0|2,0,0]=4
41  B8R1.7  NC(=O)[C@@H]1CCCN1 F16286 [0,0,0,0,2,0|2,0,0]=4
42  B8R1.7  O=C([O-])[C@@H]1CCCN1 D75182 [0,0,0,0,2,0|2,0,0]=4