0  B9R0.7  CC(Cl)C(=O)NCC(=O)O 14384 [0,0,0,0,0,0|1,0,2]=3
1  B9R0.7  CC(S)C(=O)NCC(=O)O 15029 [0,0,0,0,0,0|0,0,2]=2
2  B8R0.9  NCC(=O)CCC(=O)O 29927 [1,0,0,0,0,0|2,0,1]=4
3  B8R0.9  NCC(=O)NCC(=O)O 14973 [1,0,0,0,0,0|1,0,2]=4
4  B8R0.28  CC(C)CCCC(=O)O 36049 [1,0,0,0,0,0|2,0,1]=4
5  B10R0.93  C[C@H](N)C(=O)N[C@@H](C)C(=O)O 29442 [0,1,0,0,0,0|1,0,2]=4
6  B8R0.23  CC(C)[C@@H](N)CC(=O)O 30142 [0,0,0,0,1,0|2,0,1]=4
7  B8R0.23  CC(C)[C@@H](N)CC(=O)O 30151 [0,0,0,0,1,0|2,0,1]=4
8  B8R0.23  CC(C)[C@H](N)CC(=O)O 23284 [0,0,0,0,1,0|2,0,1]=4
9  B8R0.23  CC(C)[C@H](N)CC(=O)O 30172 [0,0,0,0,1,0|2,0,1]=4
10  B8R0.23  C[C@@H](O)[C@@H](N)CC(=O)O 24543 [0,0,0,0,1,0|1,1,1]=4
11  B8R0.23  C[C@@H](O)[C@H](N)CC(=O)O 24541 [0,0,0,0,1,0|1,1,1]=4
12  B8R0.23  C[C@H](O)[C@@H](N)CC(=O)O 24542 [0,0,0,0,1,0|1,1,1]=4
13  B8R0.23  C[C@H](O)[C@H](N)CC(=O)O 24540 [0,0,0,0,1,0|1,1,1]=4
14  B7R0.6  CC(=O)CCC(=O)O 11206 [2,0,0,0,0,0|1,0,1]=4
15  B7R0.6  CC(=O)NCC(=O)O 8849 [2,0,0,0,0,0|0,0,2]=4
16  B9R0.23  CC[C@@H](O)[C@@H](N)CC(=O)O 24539 [1,1,0,0,0,0|1,0,1]=4
17  B9R0.23  CC[C@@H](O)[C@H](N)CC(=O)O 24537 [1,1,0,0,0,0|1,0,1]=4
18  B9R0.23  CC[C@H](O)[C@@H](N)CC(=O)O 24538 [1,1,0,0,0,0|1,0,1]=4
19  B9R0.23  CC[C@H](O)[C@H](N)CC(=O)O 24536 [1,1,0,0,0,0|1,0,1]=4
20  B7R0.2  CCC(=O)CC(C)=O 24813 [1,0,0,0,1,0|1,0,1]=4
21  B7R0.2  CCC(C)CC(=O)O 11272 [1,0,0,0,1,0|1,0,1]=4
22  B7R0.2  CCC(N)CC(=O)O 13448 [1,0,0,0,1,0|1,0,1]=4
23  B7R0.2  CC[C@@H](C)CC(=O)O 11275 [1,0,0,0,1,0|1,0,1]=4
24  B7R0.2  CC[C@H](C)CC(=O)O 11273 [1,0,0,0,1,0|1,0,1]=4
25  B7R0.2  CC\C(C)=C\C(=O)O 13986 [1,0,0,0,1,0|1,0,1]=4
26  B7R0.2  NC[C@@H](O)CC(=O)O 5723 [1,0,0,0,1,0|1,0,1]=4
27  B7R0.2  NC[C@H](O)CC(=O)O 5722 [1,0,0,0,1,0|1,0,1]=4
28  B7R0.16  CC(C)[C@H](O)C(=O)O 8274 [0,0,0,0,2,0|1,0,1]=4