0  B8R0.23  C=C(CC(C)C)C(=O)O W18790 [0,0,0,0,0,0|0,0,2]=2
1  B9R0.39  CC(C)C[C@@H](CN)C(=O)O 31361 [0,1,0,0,0,0|0,0,2]=3
2  B9R0.39  CC(C)C[C@@H](CN)C(=O)O 31362 [0,1,0,0,0,0|0,0,2]=3
3  B9R0.39  CC(C)C[C@@H](CN)C(=O)O 32003 [0,1,0,0,0,0|0,0,2]=3
4  B9R0.39  CC(C)C[C@@H](CN)C(=O)O F15243 [0,1,0,0,0,0|0,0,2]=3
5  B9R0.57  CC(C)(F)C[C@H](N)C(=O)O 81510 [0,1,0,0,0,0|1,0,2]=4
6  B9R0.79  CC(C)[C@H](O)[C@H](N)C(=O)O 25814 [0,1,0,0,0,0|1,0,2]=4
7  B9R1.35  C[C@@H]1CC[C@@H](C(=O)O)N1 P17548 [0,0,0,1,0,0|1,0,1]=3
8  B9R1.35  N[C@H]1CC[C@H](C(=O)O)C1 H11003 [0,0,0,1,0,0|1,0,2]=4
9  B9R1.35  O=C(O)[C@@H]1CC[C@H](O)C1 D97082 [0,0,0,1,0,0|1,0,2]=4
10  B9R1.35  O=C(O)[C@@H]1CC[C@H](O)C1 P19451 [0,0,0,1,0,0|1,0,2]=4
11  B9R1.69  C[C@H]1CNC(=O)[C@H](C)N1 P17728 [0,0,0,1,0,0|2,0,1]=4
12  B9R1.69  C[C@H]1CNC(=O)[C@H](C)N1 P17729 [0,0,0,1,0,0|2,0,1]=4
13  B9R1.112  O=C(O)[C@@H](O)CC1CC1 69647 [0,0,0,1,0,0|1,0,2]=4
14  B9R1.112  O=C(O)[C@@H](O)CC1CC1 AT26814 [0,0,0,1,0,0|1,0,2]=4
15  B9R1.152  C[C@]1(C(=O)O)C[C@@H](N)C1 P14629 [0,0,0,1,0,0|1,0,2]=4
16  B9R1.164  C[C@]1(O)C[C@H](C(=O)O)C1 38906 [0,0,0,1,0,0|1,0,2]=4
17  B9R0.53  CC(C)C[C@H](O)CC(=O)O D96477 [0,0,0,0,0,1|1,0,2]=4
18  B6R0.4  O=C(O)\C=C\CF AT12709 [2,0,0,0,0,0|1,0,0]=3
19  B6R0.4  O=C(O)\C=C\CO AT11505 [2,0,0,0,0,0|1,0,0]=3
20  B6R0.3  C=CC(=O)C(=O)O AC9460 [2,0,0,0,0,0|1,0,1]=4
21  B6R0.3  C[C@@H](CN)C(=O)O 31999 [2,0,0,0,0,0|1,0,1]=4
22  B8R0.3  CO\C=C(/I)C(=O)OC 78865 [1,1,0,0,0,0|2,0,0]=4
23  B8R0.18  CO[C@H](C(=O)O)C(C)C 96142 [0,1,0,0,1,0|0,0,1]=3
24  B8R0.27  CC(C)(F)[C@H](N)C(=O)O D79269 [0,1,0,0,1,0|1,0,1]=4
25  B8R1.23  C[C@@H]1C[C@@H](C(=O)O)N1 P20785 [1,0,0,1,0,0|1,0,1]=4
26  B8R1.23  C[C@H]1C[C@@H](C(=O)O)N1 D96843 [1,0,0,1,0,0|1,0,1]=4
27  B10R1.13  CC1CCC(C(=O)O)CO1 W16296 [0,0,0,1,0,1|0,0,2]=4
28  B10R1.13  C[C@H]1CC[C@@H](C(=O)O)CC1 C90647 [0,0,0,1,0,1|0,0,2]=4
29  B10R1.359  CC1(C)CN[C@H](C(=O)O)C1 61319 [0,0,0,1,0,1|0,0,2]=4
30  B10R1.59  C[C@@H]1C[C@@H](C(=O)O)N(C)C1 P15809 [0,0,0,1,0,1|1,0,1]=4
31  B10R1.194  C[C@@H]1CC[C@@H](C(=O)O)N1C P15812 [0,1,0,1,0,0|1,0,1]=4
32  B10R1.194  C[C@H]1CC[C@@H](C(=O)O)N1C P18711 [0,1,0,1,0,0|1,0,1]=4
33  B10R1.113  CC1CNCC(C(=O)O)C1 D78840 [0,1,0,1,0,0|0,0,2]=4
34  B10R1.113  C[C@@H]1CNC[C@@H](C(=O)O)C1 P19966 [0,1,0,1,0,0|0,0,2]=4
35  B10R1.113  C[C@@H]1CNC[C@@H](C(=O)O)C1 P19967 [0,1,0,1,0,0|0,0,2]=4
36  B10R1.113  C[C@H]1CNC[C@@H](C(=O)O)C1 P19965 [0,1,0,1,0,0|0,0,2]=4
37  B10R1.113  C[C@H]1CNC[C@@H](C(=O)O)C1 P19968 [0,1,0,1,0,0|0,0,2]=4
38  B10R2.357  O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1 P16397 [0,0,0,2,0,0|1,0,1]=4
39  B10R2.357  O=C(O)[C@@H]1C[C@H]2C[C@H]2N1 P20232 [0,0,0,2,0,0|1,0,1]=4
40  B10R2.636  CC12CC(C(=O)O)(C1)C2 57463 [0,0,0,2,0,0|0,0,2]=4