0  B8R1.7  O=C(O)[C@@H]1CCCN1 DB00172 [0,0,0,0,0,0|0,0,0]=0
1  B9R1.35  O=C(O)[C@@H]1C[C@@H](O)CN1 DB08847 [0,1,0,0,0,0|0,0,0]=1
2  B9R1.35  O=C1CC[C@@H](C(=O)O)N1 DB03088 [0,1,0,0,0,0|0,0,1]=2
3  B6R0.4  NCCCC(=O)O DB02530 [1,0,1,0,0,0|0,0,0]=2
4  B6R0.4  O=C([O-])CCCO DB01440 [1,0,1,0,0,0|1,0,1]=4
5  B6R0.4  O=C([O-])CCCO DB09072 [1,0,1,0,0,0|1,0,1]=4
6  B6R0.3  N[C@@H](CO)C(=O)O DB00133 [1,0,1,0,0,0|1,0,0]=3
7  B6R0.3  N[C@@H](CS)C(=O)O DB00151 [1,0,1,0,0,0|1,0,0]=3
8  B6R0.3  N[C@H](CO)C(=O)O DB03929 [1,0,1,0,0,0|1,0,0]=3
9  B6R0.3  [C@H](N)(CS)C(=O)O DB11197 [1,0,1,0,0,0|1,0,0]=3
10  B8R0.7  NCCCCCC(=O)O DB00513 [0,1,1,0,0,0|0,0,0]=2
11  B8R0.8  CSCCC(N)C(=O)O DB13972 [0,1,1,0,0,0|2,0,0]=4
12  B8R0.8  CSCC[C@@H](N)C(=O)O DB02893 [0,1,1,0,0,0|2,0,0]=4
13  B8R0.8  CSCC[C@H](N)C(=O)O DB00134 [0,1,1,0,0,0|2,0,0]=4
14  B8R0.8  C[Se]CC[C@H](N)C(=O)O DB11142 [0,1,1,0,0,0|2,0,0]=4
15  B8R0.8  NCCC[C@H](N)C(=O)O DB00129 [0,1,1,0,0,0|0,0,0]=2
16  B8R0.9  C=CC(N)CCC(=O)O DB01080 [0,1,1,0,0,0|1,0,1]=4
17  B8R0.9  NCC(=O)CCC(=O)O DB00855 [0,1,1,0,0,0|0,0,1]=3
18  B8R0.2  CC[C@H](C)[C@H](N)C(=O)O DB00167 [0,1,1,0,0,0|0,0,0]=2
19  B8R0.23  CC(C)C[C@H](N)C(=O)O DB00149 [0,1,1,0,0,0|0,0,0]=2
20  B8R0.23  NC(=O)C[C@H](N)C(=O)O DB00174 [0,1,1,0,0,0|1,0,1]=4
21  B8R0.23  N[C@@H](CC(=O)O)C(=O)O DB00128 [0,1,1,0,0,0|1,0,1]=4