0  B9R1.35  O=C1CC[C@@H](C(=O)O)N1 CP23101 [0,1,0,0,0,0|2,0,1]=4
1  B9R1.35  O=C1CC[C@H](C(=O)O)N1 CP25835 [0,1,0,0,0,0|2,0,1]=4
2  B7R0.4  C#CCNCC(=O)O CP25644 [0,0,1,0,0,0|1,0,2]=4
3  B7R0.4  C=CCNCC(=O)O CP25888 [0,0,1,0,0,0|1,0,2]=4
4  B7R0.4  NCCCCC(=O)O CP04601 [0,0,1,0,0,0|1,0,0]=2
5  B7R0.4  NCCNCC(=O)O CP26849 [0,0,1,0,0,0|2,0,0]=3
6  B6R0.1  CCOC(=O)CN CP00918 [1,0,1,0,0,0|1,0,0]=3
7  B6R0.1  CNCC(=O)OC CP09008 [1,0,1,0,0,0|2,0,0]=4
8  B6R0.1  COC(=O)CCN CP02305 [1,0,1,0,0,0|2,0,0]=4
9  B8R0.2  CC[C@@H](C)[C@@H](N)C(=O)O CP01204 [0,1,1,0,0,0|2,0,0]=4
10  B8R0.2  CC[C@@H](C)[C@H](N)C(=O)O CP01202 [0,1,1,0,0,0|2,0,0]=4
11  B8R0.2  CC[C@H](C)[C@@H](N)C(=O)O CP01201 [0,1,1,0,0,0|2,0,0]=4
12  B8R0.2  CC[C@H](C)[C@@H](O)C(=O)O AAD-094 [0,1,1,0,0,0|2,0,0]=4
13  B8R0.2  CC[C@H](C)[C@H](N)C(=O)O CP01205 [0,1,1,0,0,0|2,0,0]=4
14  B8R0.2  CC[C@H](C)[C@H](N)C(=O)O CP01206 [0,1,1,0,0,0|2,0,0]=4
15  B8R0.2  CC[C@H](C)[C@H](N)C(N)=O CP26155 [0,1,1,0,0,0|2,0,0]=4
16  B8R0.23  CC(=O)O[C@@H](C)C(=O)O OPO-051 [0,1,1,0,0,0|1,0,1]=4
17  B8R0.23  CC(=O)O[C@H](C)C(=O)O OPO-052 [0,1,1,0,0,0|1,0,1]=4
18  B8R0.3  CCC[C@H](N)C(=O)OC CP08611 [0,1,1,0,0,0|2,0,0]=4
19  B8R0.7  NCCCCCC(=O)O CP03101 [0,1,1,0,0,0|0,0,0]=2
20  B8R0.28  CC(=O)NCCC(=O)O CP25731 [0,1,1,0,0,0|1,0,1]=4
21  B10R1.14  COC(=O)[C@@H]1CCC(=O)N1 CP25860 [0,2,0,0,0,0|1,0,1]=4
22  B6R0.3  CC(CN)C(=O)O CP04001 [0,0,1,0,1,0|2,0,0]=4
23  B6R0.3  CCC(N)C(=O)O CP25922 [0,0,1,0,1,0|2,0,0]=4
24  B6R0.3  CCC(N)C(N)=O CP27406 [0,0,1,0,1,0|2,0,0]=4
25  B6R0.3  CCC(N)C(N)=O CP27452 [0,0,1,0,1,0|2,0,0]=4
26  B6R0.3  CC[C@@H](N)C(=O)O CP02901 [0,0,1,0,1,0|2,0,0]=4
27  B6R0.3  CC[C@H](N)C(=O)O CP02902 [0,0,1,0,1,0|2,0,0]=4
28  B6R0.3  CNC(C)C(=O)O CP27258 [0,0,1,0,1,0|2,0,0]=4
29  B6R0.3  CN[C@@H](C)C(=O)O CP00136 [0,0,1,0,1,0|2,0,0]=4
30  B6R0.3  CN[C@H](C)C(=O)O CP25724 [0,0,1,0,1,0|2,0,0]=4