0  B8R0.6  CCCCCC(O)CC TN1267 [1,0,0,0,0,0|1,0,2]=4
1  B8R0.28  CC(=O)CC/C=C(/C)C TN6832 [1,0,0,0,0,0|1,0,2]=4
2  B8R0.28  CC(C)CCCC(C)N T22389 [1,0,0,0,0,0|2,0,1]=4
3  B10R0.3  CCCC(=O)OCCC(C)C TN6702 [0,1,0,0,0,0|0,0,0]=1
4  B10R0.98  CN(C)CCOC(=O)C(C)=C T31739 [0,1,0,0,0,0|1,0,1]=3
5  B10R1.13  CC(C)C1CCC(=C)C=C1 T5621 [0,0,0,1,0,0|2,0,1]=4
6  B8R0.9  COC(=O)CCC(C)=O TN4548 [0,0,0,0,1,0|2,0,1]=4
7  B7R0.3  COC(=O)CCCN T22364 [2,0,0,0,0,0|2,0,0]=4
8  B9R0.47  CCCCOC(=O)C(Cl)Cl T30633 [1,1,0,0,0,0|1,0,0]=3
9  B9R0.56  CC(=O)OCC[N+](C)(C)C T1221 [1,1,0,0,0,0|1,0,0]=3
10  B9R0.56  CC(=O)OCC[N+](C)(C)C T20344 [1,1,0,0,0,0|1,0,0]=3
11  B9R0.56  CC(=O)OCC[N+](C)(C)C T20522 [1,1,0,0,0,0|1,0,0]=3
12  B9R0.56  CC(=O)OCC[N+](C)(C)C T6751 [1,1,0,0,0,0|1,0,0]=3
13  B9R0.23  COC(=O)C(O)CC(C)C T9509 [0,1,0,0,1,0|1,0,0]=3
14  B11R0.6  C[C@@H](O)CCOC(=O)C[C@@H](C)O T10492 [0,2,0,0,0,0|1,0,0]=3
15  B11R0.180  CCCC(=O)OCC[N+](C)(C)C T30640 [0,2,0,0,0,0|1,0,0]=3
16  B11R0.84  CN(C)CCNC(=O)C(C)(C)N T8753 [0,2,0,0,0,0|2,0,0]=4
17  B9R1.66  CC1(O)CCOC(=O)C1 T1353 [1,0,0,1,0,0|1,0,0]=3
18  B9R1.138  CC1(C)COC(=O)C1=O T20466 [0,0,0,1,1,0|1,0,1]=4
19  B9R1.138  CC1(C)COC(=O)[C@@H]1O T4828 [0,0,0,1,1,0|1,0,0]=3
20  B11R1.19  CC1=CCC(CC1)C(C)(C)O Fr14115 [0,1,0,1,0,0|2,0,0]=4
21  B11R1.19  CC1=CC[C@H](CC1)C(C)(C)O T7468 [0,1,0,1,0,0|2,0,0]=4
22  B11R1.220  CC(C)C1(O)CCC(C)=CC1 TN2264 [0,1,0,1,0,0|2,0,0]=4
23  B11R1.220  CC(C)[C@@]1(O)CCC(C)=CC1 TN6746 [0,1,0,1,0,0|2,0,0]=4
24  B11R2.39  CC1=CCC2C(C1)C2(C)C T10109 [0,0,0,2,0,0|2,0,0]=4
25  B11R2.39  CC1=C[C@H]2[C@H](CC1)C2(C)C T8291 [0,0,0,2,0,0|2,0,0]=4
26  B11R2.533  CC1(C)[C@@H]2C[C@H]1C(=C)CC2 T8360 [0,0,0,2,0,0|2,0,0]=4
27  B11R2.533  CC1=CCC2CC1C2(C)C TL0003 [0,0,0,2,0,0|2,0,0]=4
28  B11R2.533  CC1=CC[C@H]2C[C@@H]1C2(C)C TN1202 [0,0,0,2,0,0|2,0,0]=4
29  B11R2.533  [C@H]12C[C@H](C(C)=CC1)C2(C)C TN2469 [0,0,0,2,0,0|2,0,0]=4
30  B11R2.746  CC(C)C12CC1C(=C)CC2 T8242 [0,0,0,2,0,0|2,0,0]=4
31  B7R0.6  CC(C)CCC(O)=O T19138 [1,0,0,0,1,0|1,0,0]=3