0  B6R0.4  NCCCC(=O)O DB02530 [1,0,0,0,0,0|1,0,0]=2
1  B6R0.4  O=C([O-])CCCO DB01440 [1,0,0,0,0,0|1,0,1]=3
2  B6R0.4  O=C([O-])CCCO DB09072 [1,0,0,0,0,0|1,0,1]=3
3  B8R0.2  CC[C@H](C)[C@H](N)C(=O)O DB00167 [0,1,0,0,0,0|0,0,0]=1
4  B8R0.2  O=C([O-])[C@H](O)[C@@H](O)CO DB11168 [0,1,0,0,0,0|2,0,1]=4
5  B8R0.23  CN(CC(=O)O)C(=N)N DB00148 [0,1,0,0,0,0|2,0,1]=4
6  B8R0.23  N[C@@H](CC(=O)O)C(=O)O DB00128 [0,1,0,0,0,0|2,0,1]=4
7  B6R0.3  N[C@@H](CO)C(=O)O DB00133 [0,0,0,0,1,0|2,0,0]=3
8  B6R0.3  N[C@@H](CS)C(=O)O DB00151 [0,0,0,0,1,0|2,0,0]=3
9  B6R0.3  N[C@H](CO)C(=O)O DB03929 [0,0,0,0,1,0|2,0,0]=3
10  B6R0.3  [C@H](N)(CS)C(=O)O DB11197 [0,0,0,0,1,0|2,0,0]=3
11  B8R0.9  C=CC(N)CCC(=O)O DB01080 [0,0,0,0,0,1|1,0,2]=4
12  B8R0.9  NCC(=O)CCC(=O)O DB00855 [0,0,0,0,0,1|2,0,1]=4
13  B5R0.3  OCC(O)CO DB09462 [2,0,0,0,0,0|2,0,0]=4
14  B5R0.3  OCC(S)CS DB06782 [2,0,0,0,0,0|2,0,0]=4
15  B7R0.9  C[N+](C)(C)CC(=O)[O-] DB06756 [1,1,0,0,0,0|1,0,1]=4
16  B7R0.16  CC(C)[C@H](N)C(=O)O DB00161 [1,1,0,0,0,0|0,0,0]=2
17  B7R0.16  C[C@@H](O)[C@H](N)C(=O)O DB00156 [1,1,0,0,0,0|1,0,0]=3
18  B7R0.6  CC(=O)CCC(=O)[O-] DB13800 [1,1,0,0,0,0|0,0,2]=4
19  B7R0.6  O=C(O)CCC(=O)O DB00139 [1,1,0,0,0,0|1,0,1]=4
20  B9R0.7  CC(S)\C(O)=N\CC(=O)O DB06823 [0,1,0,0,0,1|1,0,1]=4
21  B9R1.35  O=C(O)[C@@H]1C[C@@H](O)CN1 DB08847 [0,0,0,1,0,1|2,0,0]=4
22  B9R1.35  O=C1CC[C@@H](C(=O)O)N1 DB03088 [0,0,0,1,0,1|1,0,1]=4
23  B5R0.5  CC(=O)C(=O)O DB00119 [1,0,0,0,1,0|1,0,1]=4
24  B5R0.5  CC(O)C(=O)O DB04398 [1,0,0,0,1,0|1,0,0]=3
25  B5R0.5  CC(O)C(=O)[O-] DB06768 [1,0,0,0,1,0|1,0,1]=4
26  B5R0.5  CC(O)C(=O)[O-] DB13231 [1,0,0,0,1,0|1,0,1]=4
27  B5R0.5  C[C@H](N)C(=O)O DB00160 [1,0,0,0,1,0|1,0,0]=3
28  B5R0.5  O=C(O)C(Cl)Cl DB08809 [1,0,0,0,1,0|2,0,0]=4