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|2,0,1]=3
2  B8R0.28  CC(C)CCCC(C)N T22389 [0,0,0,0,0,0|2,0,1]=3
3  B7R0.4  CCCCCC(C)N T0359 [1,0,0,0,0,0|2,0,1]=4
4  B7R0.4  NCCCCC(=O)O T5089 [1,0,0,0,0,0|3,0,0]=4
5  B9R0.7  CC(=O)OC[C@H](N)C(=O)O T4722 [0,1,0,0,0,0|2,0,1]=4
6  B9R0.7  CC(=O)OC[C@H](N)C(=O)O T8095 [0,1,0,0,0,0|2,0,1]=4
7  B9R0.7  C[S+](C)CCC(N)C(=O)O T7908 [0,1,0,0,0,0|3,0,0]=4
8  B9R0.56  CC(=O)OCC[N+](C)(C)C T1221 [0,1,0,0,0,0|1,0,0]=2
9  B9R0.56  CC(=O)OCC[N+](C)(C)C T6751 [0,1,0,0,0,0|1,0,0]=2
10  B9R0.56  CC(N)CCCC(C)(C)O T0045 [0,1,0,0,0,0|2,0,1]=4
11  B9R0.56  C[N+](C)(C)CCCC(=O)O T4702 [0,1,0,0,0,0|3,0,0]=4
12  B9R1.66  CC1(O)CCOC(=O)C1 T1353 [0,0,0,1,0,0|1,0,0]=2
13  B7R0.6  CC(=O)CCC(=O)O T5551 [0,0,0,0,1,0|2,0,1]=4
14  B6R0.4  CSCCC(=O)O T5285 [2,0,0,0,0,0|2,0,0]=4
15  B6R0.4  NCCCC(=O)O T0508 [2,0,0,0,0,0|2,0,0]=4
16  B8R0.7  CC(=O)NCCCCN T7508 [1,1,0,0,0,0|1,0,0]=3
17  B8R0.7  NCCCCCC(=O)O T0881 [1,1,0,0,0,0|2,0,0]=4
18  B8R0.8  CCCCC(O)C(=O)O T5224 [1,1,0,0,0,0|2,0,0]=4
19  B8R0.8  CCCC[C@H](N)C(=O)O T4765 [1,1,0,0,0,0|2,0,0]=4
20  B8R0.23  CC(C)C(N)CC(=O)O T5569 [0,1,0,0,1,0|1,0,0]=3
21  B8R0.23  CC(C)CC(=O)C(=O)O T5071 [0,1,0,0,1,0|1,0,1]=4
22  B8R0.23  CC(C)CC(N)C(=O)O T4772 [0,1,0,0,1,0|1,0,0]=3
23  B8R0.23  CC(C)C[C@H](N)C(=O)O T3O2749 [0,1,0,0,1,0|1,0,0]=3
24  B8R0.23  CC(C)C[C@H](O)C(=O)O T5294 [0,1,0,0,1,0|1,0,0]=3
25  B10R0.3  CC(C)=CCCC(C)CC=O T8061 [0,2,0,0,0,0|2,0,0]=4
26  B10R0.3  CC(C)=CCCC(C)CCO T3240 [0,2,0,0,0,0|2,0,0]=4
27  B10R0.3  CC(C)=CCC[C@@H](C)CCO T8266 [0,2,0,0,0,0|2,0,0]=4
28  B10R0.3  CC(C)=CCC[C@H](C)CC=O T8013 [0,2,0,0,0,0|2,0,0]=4
29  B10R0.31  CC(=O)OC(C)C[N+](C)(C)C T1682 [0,2,0,0,0,0|1,0,0]=3
30  B10R0.31  CC(C[N+](C)(C)C)OC(N)=O T3126 [0,2,0,0,0,0|2,0,0]=4
31  B10R1.13  CC1=CC[C@H](C(C)C)C=C1 T8289 [0,1,0,1,0,0|2,0,0]=4
32  B10R1.329  CC1=CC(=O)CC(C)(C)C1 T5671 [0,1,0,1,0,0|1,0,1]=4
33  B6R0.2  CC(C)CC(=O)O T5609 [0,0,0,0,2,0|1,0,0]=3
34  B6R0.2  CC(C)CC(N)=O T0361 [0,0,0,0,2,0|1,0,0]=3
35  B6R0.2  CC(O)CC(=O)O T4947 [0,0,0,0,2,0|2,0,0]=4
36  B6R0.2  CN(C)CC(=O)O T4120 [0,0,0,0,2,0|2,0,0]=4
37  B6R0.2  C[C@@H](O)CC(=O)O T5248 [0,0,0,0,2,0|2,0,0]=4
38  B6R0.2  C[C@H](O)CC(=O)O T13979 [0,0,0,0,2,0|2,0,0]=4