0  B8R0.8  N[C@@H](CCCO)C(=O)O 51288 [1,0,0,0,0,0|0,0,1]=2
1  B8R0.9  C=C[C@@H](N)CCC(=O)O 20252 [1,0,0,0,0,0|1,0,0]=2
2  B8R0.9  C=C[C@@H](N)CCC(=O)O 33474 [1,0,0,0,0,0|1,0,0]=2
3  B8R0.9  C=C[C@@H](N)CCC(=O)O D87124 [1,0,0,0,0,0|1,0,0]=2
4  B8R0.28  NC(=O)CNCC(=O)O A10558 [1,0,0,0,0,0|2,0,0]=3
5  B10R0.93  N[C@@H](C[C@H](N)C(=O)O)C(=O)O P16435 [0,1,0,0,0,0|0,0,0]=1
6  B10R1.13  CC1CCC(C(=O)O)CO1 W16296 [0,0,0,1,0,0|2,0,1]=4
7  B10R1.58  O=C1N[C@@H](C(=O)O)C[C@@H]1F P21044 [0,0,0,1,0,0|2,0,0]=3
8  B10R1.83  CC1(C)[C@@H](N)C[C@H]1C(=O)O P20518 [0,0,0,1,0,0|2,0,1]=4
9  B10R1.349  O=C(O)[C@H]1C[C@@H](C(=O)O)C1 54030 [0,0,0,1,0,0|1,0,0]=2
10  B10R1.349  O=C(O)[C@H]1C[C@H](C(=O)O)C1 C76374 [0,0,0,1,0,0|1,0,0]=2
11  B8R0.23  N[C@@H](CC(F)F)C(=O)O AT19556 [0,0,0,0,1,0|2,0,1]=4
12  B10R0.96  CC(=O)CC(=O)CCC(=O)O H10298 [0,0,0,0,0,1|2,0,1]=4
13  B11R0.150  N[C@@H](CC[C@@H](N)C(=O)O)C(=O)O D83072 [0,1,0,0,0,1|0,0,0]=2
14  B11R0.169  N[C@@H](CC(F)(F)C(=O)O)C(=O)O D74881 [0,2,0,0,0,0|0,0,0]=2
15  B9R1.6  O=C(O)[C@H]1CCCOC1 85696 [1,0,0,1,0,0|1,0,1]=4
16  B9R1.6  O=C(O)[C@H]1CCCOC1 85697 [1,0,0,1,0,0|1,0,1]=4
17  B9R1.35  C[C@@H]1CC[C@@H](C(=O)O)N1 P17548 [1,0,0,1,0,0|1,0,1]=4
18  B9R1.35  O=C(O)[C@@H]1CC[C@H](O)C1 D97082 [1,0,0,1,0,0|1,0,1]=4
19  B9R1.35  O=C(O)[C@@H]1CC[C@H](O)C1 P19451 [1,0,0,1,0,0|1,0,1]=4
20  B9R1.35  O=C1CC[C@@H](C(=O)O)S1 P12403 [1,0,0,1,0,0|1,0,0]=3
21  B9R1.69  N[C@H]1CCC(=O)NC1=O F12719 [1,0,0,1,0,0|1,0,0]=3
22  B9R1.110  N[C@H](C(=O)O)C1COC1 CS3555 [1,0,0,1,0,0|2,0,0]=4
23  B9R1.163  C[C@@]1(C(=O)O)CCCO1 P20957 [1,0,0,1,0,0|1,0,1]=4
24  B9R1.163  N[C@@]1(C(=O)O)CCOC1 C12093 [1,0,0,1,0,0|2,0,0]=4
25  B9R1.55  CN1C[C@@H](C(=O)O)C1=O P20405 [1,0,0,1,0,0|2,0,0]=4
26  B9R1.152  NC1(C(=O)O)CC(O)C1 P17228 [0,0,0,1,1,0|1,0,1]=4
27  B11R1.166  C[C@H]1CC(=O)CC[C@@H]1C(=O)O P18309 [0,1,0,1,0,0|2,0,0]=4
28  B9R0.4  CCCC[C@H](N)CC(=O)O D85241 [1,0,0,0,0,1|1,0,1]=4
29  B9R0.4  CCCC[C@H](N)CC(=O)O D85242 [1,0,0,0,0,1|1,0,1]=4