0  B9R0.7  CC(N)C(=O)NCC(=O)O 4157-1-21 [0,0,0,0,0,0|1,0,2]=3
1  B8R0.28  CC(C)CCCC(=O)O 2121-1-15 [1,0,0,0,0,0|2,0,1]=4
2  B10R0.93  CC(Br)C(=O)NC(C)C(=O)O 4158-9-02 [0,1,0,0,0,0|1,0,2]=4
3  B10R1.58  CC1=C(C)SC(C(=O)O)=N1 8H70-1-63 [0,0,0,1,0,0|1,0,2]=4
4  B10R1.58  O=C(O)[C@@H]1C[C@@H](F)C(=O)N1 4H29-3-35 [0,0,0,1,0,0|1,0,2]=4
5  B10R1.58  O=C1N[C@@H](C(=O)O)C[C@H]1F 4H29-3-36 [0,0,0,1,0,0|1,0,2]=4
6  B8R0.23  CC(C)C(N)CC(=O)O 4157-1-40 [0,0,0,0,1,0|2,0,1]=4
7  B8R0.23  CC(C)[C@H](N)CC(=O)O 4157-1-R40 [0,0,0,0,1,0|2,0,1]=4
8  B8R0.23  CC(C)[C@H](N)CC(=O)O 4157-5-10 [0,0,0,0,1,0|2,0,1]=4
9  B10R0.96  CC(C)CC(=O)NCC(=O)O 4148-1-0Q [0,0,0,0,0,1|1,0,2]=4
10  B7R0.4  CCCOCC(=O)O 2121-1-0F [2,0,0,0,0,0|1,0,1]=4
11  B7R0.4  CCOCCC(=O)O 2121-1-0E [2,0,0,0,0,0|2,0,0]=4
12  B7R0.4  C\C=C\CCC(=O)O 2321-1-X1 [2,0,0,0,0,0|1,0,1]=4
13  B7R0.6  C=C(C)CCC(=O)O 2321-1-0E [2,0,0,0,0,0|2,0,0]=4
14  B7R0.6  O=C(O)CCC(=O)O 2121-1-24 [2,0,0,0,0,0|1,1,0]=4
15  B9R0.48  CCOC(=O)CCC(=O)O 2123-1-0C [1,1,0,0,0,0|1,0,1]=4
16  B9R0.79  CC(C)[C@@H](O)[C@@H](N)C(=O)O 4157-1-0T [0,1,0,0,1,0|1,0,1]=4
17  B7R0.2  CCC(=O)CC(=O)O 2129-1-1N [1,0,0,0,1,0|0,0,1]=3
18  B7R0.2  CCC(=O)CC(C)=O 2118-1-09 [1,0,0,0,1,0|1,0,1]=4
19  B7R0.2  CCC(C)CC(=O)O 2121-1-00 [1,0,0,0,1,0|1,0,1]=4
20  B7R0.2  CCC(N)CC(=O)O 4157-1-20 [1,0,0,0,1,0|1,0,1]=4
21  B7R0.2  CC[C@@H](N)CC(=O)O 4156-5-R2 [1,0,0,0,1,0|1,0,1]=4
22  B7R0.2  CC[C@H](C)CC(=O)O 2121-1-S4 [1,0,0,0,1,0|1,0,1]=4
23  B7R0.2  COC(=O)CC(=O)O 2123-1-85 [1,0,0,0,1,0|1,0,1]=4
24  B7R0.2  NCC(O)CC(=O)O 4157-1-14 [1,0,0,0,1,0|1,0,1]=4
25  B7R0.16  CC(C)C(=O)C(=O)O 2129-1-0Q [0,0,0,0,2,0|1,0,1]=4
26  B7R0.16  CC(C)[C@@H](O)C(=O)O 2129-1-18 [0,0,0,0,2,0|1,0,1]=4