0  B9R0.5  CCCCNC(=O)CCC D86376 [1,0,0,0,0,0|2,0,0]=3
1  B9R0.34  CCOC(=O)C[C@@H](N)CC Y13948 [1,0,0,0,0,0|1,0,0]=2
2  B9R0.34  CCOC(=O)C[C@@H](O)CC D96332 [1,0,0,0,0,0|0,0,0]=1
3  B11R1.112  CCOC(=O)[C@H]1C[C@@H]1CC#N P16214 [0,0,0,1,0,0|2,0,1]=4
4  B11R1.112  CCOC(=O)[C@H]1C[C@H]1CC#N P15487 [0,0,0,1,0,0|2,0,1]=4
5  B11R1.199  CCOC(=O)[C@H]1CNC[C@@H]1O P18210 [0,0,0,1,0,0|1,0,0]=2
6  B11R1.201  CCOC(=O)C[C@H]1C[C@@H](O)C1 P13501 [0,0,0,1,0,0|2,0,0]=3
7  B11R1.201  CCOC(=O)C[C@H]1C[C@H](O)C1 P13500 [0,0,0,1,0,0|2,0,0]=3
8  B9R0.35  C=CC[C@H](O)C(=O)OCC AC9119 [0,0,0,0,1,0|0,0,2]=3
9  B8R0.5  CCC[C@H](N)CC(=O)O Y13601 [2,0,0,0,0,0|1,0,0]=3
10  B8R0.19  CC[C@H](N)CC(=O)OC Y11154 [2,0,0,0,0,0|1,0,0]=3
11  B10R0.7  CCOC(=O)CC(C)(C)CN 21300 [1,1,0,0,0,0|2,0,0]=4
12  B10R0.129  CCOC(=O)C(C)(C)CCCl 79409 [0,1,0,0,1,0|2,0,0]=4
13  B10R1.11  CCOC(=O)[C@@H]1CCON1 AT25326 [1,0,0,1,0,0|2,0,0]=4
14  B10R1.99  COC(=O)[C@H]1C[C@@H]1CCO F50052 [1,0,0,1,0,0|2,0,0]=4
15  B10R1.181  CCOC(=O)CC1(N)CC1 AT20149 [1,0,0,1,0,0|1,0,0]=3
16  B12R1.3418  CCOC(=O)CC(=O)[C@@H]1C[C@@H]1F CS3480 [0,1,0,1,0,0|0,0,2]=4
17  B12R1.3418  CCOC(=O)CC(=O)[C@H]1C[C@@H]1F CS3483 [0,1,0,1,0,0|0,0,2]=4
18  B12R1.32  CCOC(=O)C[C@H]1CCCNC1 61924 [0,1,0,1,0,0|1,0,0]=3
19  B12R1.308  CCOC(=O)[C@@H]1CCCC[C@@H]1N 74393 [0,1,0,1,0,0|1,0,0]=3
20  B12R1.308  CCOC(=O)[C@@H]1CCCOC1=O P14039 [0,1,0,1,0,0|0,0,2]=4
21  B12R1.308  CCOC(=O)[C@@H]1OCCCC1=O P13988 [0,1,0,1,0,0|0,0,2]=4
22  B12R1.2053  CCOC(=O)CC1(C#N)COC1 P13022 [0,1,0,1,0,0|2,0,0]=4
23  B12R1.2053  CCOC(=O)CC1(CN)COC1 F30878 [0,1,0,1,0,0|2,0,0]=4
24  B12R2.1479  CCOC(=O)C1C2CNCC21 AC2310 [0,0,0,2,0,0|2,0,0]=4
25  B12R2.1479  CCOC(=O)C1C2COCC21 F30796 [0,0,0,2,0,0|2,0,0]=4
26  B12R2.1469  CCOC(=O)C12CC1CCN2 W14308 [0,0,0,2,0,0|2,0,0]=4