0  B9R0.7  O=C(O)CNC(C(S)C)=O      AK501603 [0,0,0,0,0,0|0,0,2]=2
1  B8R0.9  C(C(OC)=O)CC(O)=O      AK-47290 [1,0,0,0,0,0|2,0,1]=4
2  B8R0.9  CC\C(C)=C\CC(O)=O      AK146168 [1,0,0,0,0,0|2,0,0]=3
3  B8R0.9  O=C(O)CCC(CN)=O      AK-30504 [1,0,0,0,0,0|2,0,1]=4
4  B8R0.9  O=C(O)CNC(CN)=O      AK-46058 [1,0,0,0,0,0|1,0,2]=4
5  B8R0.9  O=C(O)CNC(OC)=O      AK158445 [1,0,0,0,0,0|1,0,2]=4
6  B8R0.23  CC(C)C(N)CC(O)=O      AK124272 [0,0,0,0,1,0|2,0,1]=4
7  B8R0.23  CC(C)[C@@H](N)CC(O)=O      AK-86154 [0,0,0,0,1,0|2,0,1]=4
8  B8R0.23  CC(C)[C@@H](N)CC(O)=O      AK162605 [0,0,0,0,1,0|2,0,1]=4
9  B8R0.23  CC(C)[C@H](N)CC(O)=O      AK-45075 [0,0,0,0,1,0|2,0,1]=4
10  B8R0.23  CC(C)[C@H](N)CC(O)=O      AK115403 [0,0,0,0,1,0|2,0,1]=4
11  B8R0.23  C[C@@H](O)[C@H](N)CC(O)=O      AK-23909 [0,0,0,0,1,0|1,1,1]=4
12  B10R0.96  O=C(O)CNC(CC(C)C)=O      AK-61155 [0,0,0,0,0,1|1,0,2]=4
13  B7R0.6  C(C(C)=O)CC(O)=O      AK-73018 [2,0,0,0,0,0|1,0,1]=4
14  B7R0.6  CC(=O)NCC(O)=O      AK-49883 [2,0,0,0,0,0|0,0,2]=4
15  B9R0.48  O=C(O)CCC(OCC)=O      AK130461 [1,1,0,0,0,0|1,0,1]=4
16  B9R0.79  CC(C)[C@H](O)[C@H](N)C(O)=O      AK122524 [0,1,0,0,1,0|1,0,1]=4
17  B7R0.2  CCC(N)CC(O)=O      AK-45971 [1,0,0,0,1,0|1,0,1]=4
18  B7R0.2  CC[C@@H](N)CC(O)=O      AK131267 [1,0,0,0,1,0|1,0,1]=4
19  B7R0.2  CC[C@H](N)CC(O)=O      AK548217 [1,0,0,0,1,0|1,0,1]=4
20  B7R0.2  O=C(O)CC(OC)=O      AK-77136 [1,0,0,0,1,0|1,0,1]=4
21  B7R0.16  CC(C)C(C(O)=O)=O      AK-82417 [0,0,0,0,2,0|1,0,1]=4
22  B7R0.16  CC(C)C(O)C(O)=O      AK140040 [0,0,0,0,2,0|1,0,1]=4
23  B7R0.16  CC(C)[C@H](O)C(O)=O      AK146081 [0,0,0,0,2,0|1,0,1]=4