0  B8R0.28  CC(=O)NCCC(=O)O T1373 [0,0,0,0,0,0|3,0,1]=4
1  B8R0.28  CC(C)CCCC(C)N T0043 [0,0,0,0,0,0|1,0,2]=3
2  B8R0.28  CC(C)CCCC(C)N T22389 [0,0,0,0,0,0|1,0,2]=3
3  B7R0.4  CCCCCC(C)N T0359 [1,0,0,0,0,0|1,0,2]=4
4  B9R0.1  C=CC(=C)CCC=C(C)C T5834 [0,1,0,0,0,0|1,0,2]=4
5  B9R0.56  CC(N)CCCC(C)(C)O T0045 [0,1,0,0,0,0|1,0,2]=4
6  B9R1.66  CC1(O)CCOC(=O)C1 T1353 [0,0,0,1,0,0|2,0,0]=3
7  B7R0.6  CC(=O)CCC(=O)O T5551 [0,0,0,0,1,0|2,0,1]=4
8  B6R0.6  CC\C=C/CCO T22295 [2,0,0,0,0,0|0,0,2]=4
9  B6R0.6  COCCCCO T7022 [2,0,0,0,0,0|1,0,1]=4
10  B8R0.6  CCCCCC(O)CC TN1267 [1,1,0,0,0,0|0,0,2]=4
11  B8R0.7  CC(=O)NCCCCN T7508 [1,1,0,0,0,0|2,0,0]=4
12  B10R0.3  CC(C)=CCCC(C)CC=O T8061 [0,2,0,0,0,0|0,0,1]=3
13  B10R0.3  CC(C)=CCCC(C)CCO T3240 [0,2,0,0,0,0|0,0,0]=2
14  B10R0.3  CC(C)=CCC[C@@H](C)CCO T8266 [0,2,0,0,0,0|0,0,0]=2
15  B10R0.3  CC(C)=CCC[C@H](C)CC=O T8013 [0,2,0,0,0,0|0,0,1]=3
16  B10R0.3  CC(C)=CCC\C(C)=C/CO T5645 [0,2,0,0,0,0|0,0,1]=3
17  B10R0.3  CC(C)=CCC\C(C)=C\C=O T3154 [0,2,0,0,0,0|0,0,2]=4
18  B10R0.3  CC(C)=CCC\C(C)=C\CO T5665 [0,2,0,0,0,0|0,0,1]=3
19  B10R0.65  C=CC(C)(O)CCC=C(C)C T2S2264 [0,2,0,0,0,0|0,0,0]=2
20  B10R1.13  C=C(C)[C@@H]1CC=C(C)CC1 T8026 [0,1,0,1,0,0|1,0,1]=4
21  B10R1.13  CC1=CCC(C(C)C)=CC1 TN2031 [0,1,0,1,0,0|1,0,1]=4
22  B10R1.13  CC1=CC[C@H](C(C)C)C=C1 T8289 [0,1,0,1,0,0|1,0,1]=4
23  B10R1.329  CC1=CC(=O)CC(C)(C)C1 T5671 [0,1,0,1,0,0|1,0,1]=4
24  B6R0.2  CC(C)=CC(=O)O T5305 [0,0,0,0,2,0|1,0,1]=4
25  B6R0.2  CC(O)CC(=O)O T4947 [0,0,0,0,2,0|2,0,0]=4
26  B6R0.2  C[C@@H](O)CC(=O)O T5248 [0,0,0,0,2,0|2,0,0]=4
27  B6R0.2  C[C@H](O)CC(=O)O T13979 [0,0,0,0,2,0|2,0,0]=4