0  B23R0.36744  CCCCCCCCCCCCCCCC(=O)SC[C@H](N)C(=O)O MCULE-2939486909 [0,0,0,0,0,0|0,0,0]=0
1  B22R0.2865  CCCCCCCCCCCCCCCC(=O)NCCC(=O)O MCULE-1328237079 [1,0,0,0,0,0|1,0,0]=2
2  B22R0.27190  CCCCCCCCCCCCCCCC(=O)OCC(O)CO MCULE-4565103009 [1,0,0,0,0,0|1,1,1]=4
3  B22R0.27190  CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO MCULE-1447531931 [1,0,0,0,0,0|1,1,1]=4
4  B22R0.27190  CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO MCULE-9198473050 [1,0,0,0,0,0|1,1,1]=4
5  B22R0.27190  CCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO MCULE-5780776753 [1,0,0,0,0,0|1,1,1]=4
6  B22R0.27190  CCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO MCULE-8409854551 [1,0,0,0,0,0|1,1,1]=4
7  B22R0.37967  CCCCCCCCCCCCCCCCCCC(C)C(=O)O MCULE-4806310815 [1,0,0,0,0,0|2,0,1]=4
8  B22R0.37967  CCCCCCCCCCCCCCCCCCC(O)C(=O)O MCULE-3500041904 [1,0,0,0,0,0|2,0,1]=4
9  B22R0.9493  CCCCCCCCCCCCCCCC(=O)NC(C)C(=O)O MCULE-6345776631 [0,0,0,0,1,0|2,0,0]=3
10  B22R0.9493  CCCCCCCCCCCCCCCC(=O)N[C@@H](C)C(=O)O MCULE-2702063390 [0,0,0,0,1,0|2,0,0]=3
11  B22R0.9493  CCCCCCCCCCCCCCCC(=O)N[C@@H](C)C(=O)O MCULE-7044360073 [0,0,0,0,1,0|2,0,0]=3
12  B22R0.9493  CCCCCCCCCCCCCCCC(=O)OC(C)C(=O)O MCULE-3708049889 [0,0,0,0,1,0|1,1,0]=3
13  B22R0.9493  CCCCCCCCCCCCCCCC(=O)O[C@@H](C)C(=O)O MCULE-5134797870 [0,0,0,0,1,0|1,1,0]=3
14  B21R0.81  CCCCCCCCCCCCCCC=CCCCC(=O)O MCULE-6785318094 [2,0,0,0,0,0|1,0,1]=4
15  B21R0.81  CCCCCCCCCCCCCCCCCCCC(=O)O MCULE-2888473872 [2,0,0,0,0,0|1,0,1]=4
16  B21R0.36773  CCCCCCCCCCCCCCCC(=O)NC[C@@H](C)O MCULE-8217281786 [2,0,0,0,0,0|2,0,0]=4
17  B23R0.27182  CCCCCCCCCCCCCCCC(=O)NCCS(=O)(=O)O MCULE-9860207979 [1,1,0,0,0,0|2,0,0]=4