0  B9R0.53  CC(C)C[C@H](N)CC(=O)O 25245 [0,0,0,0,1,0|2,0,1]=4
1  B9R0.53  CC(C)C[C@H](N)CC(=O)O 30107 [0,0,0,0,1,0|2,0,1]=4
2  B8R0.5  CCOC(=O)CC(=O)Cl 18139 [2,0,0,0,0,0|1,0,0]=3
3  B8R0.5  CCOC(=O)CC(C)=O 14160 [2,0,0,0,0,0|0,0,0]=2
4  B8R0.5  CCOC(=O)CC(N)=O 33632 [2,0,0,0,0,0|1,0,0]=3
5  B8R0.5  CCOC(=O)C[C@@H](C)O 13859 [2,0,0,0,0,0|0,0,2]=4
6  B8R0.5  CCOC(=O)C[C@H](C)O 13963 [2,0,0,0,0,0|0,0,2]=4
7  B8R0.5  CCOC(=O)C[C@H](C)O 15560 [2,0,0,0,0,0|0,0,2]=4
8  B8R0.5  CCOC(=O)C[N+](=O)[O-] 13723 [2,0,0,0,0,0|2,0,0]=4
9  B8R0.5  CCOC(=O)\C=C(/C)N 12589 [2,0,0,0,0,0|1,0,1]=4
10  B8R0.5  CCOC(=O)\C=C(\C)N 12804 [2,0,0,0,0,0|1,0,1]=4
11  B8R0.7  CCCCCCC(C)=O 26418 [2,0,0,0,0,0|1,0,1]=4
12  B10R0.6  COCCOC(=O)CC(C)=O 35975 [1,1,0,0,0,0|0,0,0]=2
13  B10R0.32  CCOC(=O)C(=O)CC(C)=O 35292 [1,1,0,0,0,0|2,0,0]=4
14  B10R0.31  CC(C)(C)OC(=O)CC(=O)O 13754 [0,1,0,0,1,0|1,0,0]=3
15  B10R1.61  CC(=O)N1CCCCC1=O 23360 [1,0,0,1,0,0|2,0,0]=4
16  B10R1.138  CCCC(=O)OC[C@@H]1CO1 5837 [1,0,0,1,0,0|1,0,1]=4
17  B10R1.138  CCCC(=O)OC[C@H]1CO1 5834 [1,0,0,1,0,0|1,0,1]=4
18  B10R1.205  C=C(C)C(=O)OCC1CO1 23289 [0,0,0,1,1,0|2,0,0]=4
19  B10R1.329  CC1(C)CC(=O)C=C(N)C1 14457 [0,0,0,1,1,0|1,0,1]=4
20  B10R1.329  CC1(C)CC(=O)NC(=O)C1 35108 [0,0,0,1,1,0|1,0,0]=3
21  B10R1.329  CC1(C)OC(=O)CC(=O)O1 13988 [0,0,0,1,1,0|1,0,0]=3
22  B10R1.329  CC1=CC(=O)OC(C)(C)O1 20364 [0,0,0,1,1,0|0,0,2]=4
23  B12R1.101  CC(C)CC1CC(=O)NC(=O)C1 15304 [0,0,0,1,0,1|2,0,0]=4
24  B8R0.8  C=C(C)C(=O)OCCCl 35876 [1,0,0,0,1,0|2,0,0]=4
25  B8R0.8  C=C(C)C(=O)OCCO 35748 [1,0,0,0,1,0|2,0,0]=4
26  B8R0.28  CC(C)CCCC(=O)O 36049 [1,0,0,0,1,0|1,0,1]=4
27  B8R0.23  CC(C)OC(=O)[C@H](C)N 20221 [0,0,0,0,2,0|1,0,1]=4
28  B8R0.23  CC(C)OC(=O)[C@H](C)N 24811 [0,0,0,0,2,0|1,0,1]=4