0  B9R0.6  C=C(C)C(=O)C(=O)OCC 2329-1-14 [0,0,0,0,0,0|2,0,2]=4
1  B9R0.6  CCOC(=O)[C@@H](N)C(C)C 4158-1-56 [0,0,0,0,0,0|2,0,0]=2
2  B8R0.3  CCOC(=O)[C@@H](C)OC 2123-1-R4 [1,0,0,0,0,0|1,0,0]=2
3  B8R0.5  CCCC(=O)CC(C)C 2117-1-0K [1,0,0,0,0,0|2,0,0]=3
4  B10R0.35  CCOC(=O)[C@H](N)[C@@H](C)CC 4157-5-0E [0,1,0,0,0,0|2,0,0]=3
5  B10R0.36  CCOC(=O)C(F)(F)C(C)C 2123-3-1M [0,1,0,0,0,0|2,0,0]=3
6  B10R0.100  CCOC(=O)C(N)C(F)(F)F 4158-7-07 [0,1,0,0,0,0|3,0,0]=4
7  B10R0.101  CCOC(=O)C(C#N)C(C)C 4137-1-0N [0,1,0,0,0,0|1,0,1]=3
8  B10R0.101  [C-]#[N+]C(C(=O)OCC)C(C)C 4137-1-0T [0,1,0,0,0,0|1,0,1]=3
9  B10R1.61  O=C(O)C1CCCCC1=O 2229-1-0J [0,0,0,1,0,0|2,0,1]=4
10  B7R0.2  CC(C)CC(=O)CBr 2117-9-09 [2,0,0,0,0,0|2,0,0]=4
11  B7R0.10  CN[C@H](C)C(=O)OC 4158-5-RJ [2,0,0,0,0,0|1,0,0]=3
12  B7R0.10  COC(=O)C(O)CN 4158-5-50 [2,0,0,0,0,0|2,0,0]=4
13  B7R0.10  COC(=O)[C@H](C)CO 2129-1-RC [2,0,0,0,0,0|0,0,0]=2
14  B7R0.16  CC(C)C(F)C(=O)O 2121-3-0K [2,0,0,0,0,0|2,0,0]=4
15  B7R0.16  C[C@H](O)[C@H](N)C(=O)O 4157-1-44 [2,0,0,0,0,0|1,0,0]=3
16  B9R0.27  CCC(=O)C(C)C(=O)OC 2129-1-1F [1,1,0,0,0,0|0,0,2]=4
17  B9R0.28  COC(=O)C(C)(N)C(C)C 4158-1-0X [1,1,0,0,0,0|1,0,0]=3
18  B9R0.19  CCOC(=O)C(F)(F)CO 2129-3-42 [1,1,0,0,0,0|1,0,0]=3
19  B9R0.34  CCOC(=O)CC(O)CCl 2129-5-07 [1,1,0,0,0,0|0,0,0]=2
20  B9R0.34  CCOC(=O)CC(O)CI 2129-H-02 [1,1,0,0,0,0|0,0,0]=2
21  B11R0.56  [C-]#[N+]C(CC(C)C)C(=O)OCC 4137-1-0S [0,1,0,0,0,1|1,0,1]=4
22  B9R1.81  COC(=O)[C@H]1CC[C@@H]1N 4258-5-E1 [1,0,0,1,0,0|1,0,0]=3
23  B9R1.73  CCOC(=O)C1CCC1 2223-1-55 [1,0,0,1,0,0|0,0,0]=2
24  B9R1.34  CC1CC(=O)CC(C)N1 4H17-5-1U [1,0,0,1,0,0|2,0,0]=4
25  B11R1.816  CCOC(=O)[C@@H]1C[C@H]1C(=O)O 2223-1-0L [0,0,0,1,0,1|1,0,1]=4
26  B11R1.833  CCOC(=O)[C@]1(C)C[C@H](O)C1 2229-1-E1 [0,0,0,1,0,1|0,0,0]=2