0  B4R0.1  CC(=O)NO DB00551 [1,0,0,0,0,0|1,0,2]=4
1  B4R0.1  CC(O)CO DB01839 [1,0,0,0,0,0|0,0,0]=1
2  B4R0.1  CCC(=O)O DB03766 [1,0,0,0,0,0|1,0,1]=3
3  B4R0.1  NCC(=O)O DB00145 [1,0,0,0,0,0|2,0,1]=4
4  B4R0.1  O=C(O)CO DB03085 [1,0,0,0,0,0|1,0,1]=3
5  B6R0.1  CNC(=S)NCO DB13838 [0,1,0,0,0,0|1,1,1]=4
6  B6R0.3  N[C@@H](CO)C(=O)O DB00133 [0,1,0,0,0,0|1,0,1]=3
7  B6R0.3  N[C@@H](CS)C(=O)O DB00151 [0,1,0,0,0,0|1,1,1]=4
8  B6R0.3  N[C@H](CO)C(=O)O DB03929 [0,1,0,0,0,0|1,0,1]=3
9  B6R0.3  [C@H](N)(CS)C(=O)O DB11197 [0,1,0,0,0,0|1,1,1]=4
10  B6R0.4  NCCCC(=O)O DB02530 [0,1,0,0,0,0|2,0,1]=4
11  B6R0.4  O=C([O-])CCCO DB01440 [0,1,0,0,0,0|1,0,2]=4
12  B6R0.4  O=C([O-])CCCO DB09072 [0,1,0,0,0,0|1,0,2]=4
13  B6R0.5  C[N+](C)(C)CCO DB00122 [0,1,0,0,0,0|2,0,0]=3
14  B6R0.5  C[N+](C)([11CH3])CCO DB09277 [0,1,0,0,0,0|2,0,0]=3
15  B6R0.5  C[N+](C)([11CH3])CCO DB09563 [0,1,0,0,0,0|2,0,0]=3
16  B6R0.5  NCCS(=O)(=O)O DB01956 [0,1,0,0,0,0|3,0,0]=4
17  B6R0.5  O=S(=O)(O)CCS DB09110 [0,1,0,0,0,0|2,1,0]=4
18  B3R0.1  CCCO DB03175 [2,0,0,0,0,0|0,0,0]=2
19  B3R0.1  NCCS DB00847 [2,0,0,0,0,0|1,1,0]=4
20  B3R0.2  CC(=O)O DB03166 [2,0,0,0,0,0|0,0,2]=4
21  B3R0.2  CC(C)O DB02325 [2,0,0,0,0,0|0,0,0]=2
22  B3R0.2  CS(C)=O DB01093 [2,0,0,0,0,0|1,0,1]=4
23  B3R0.2  O=[Se](O)O DB11127 [2,0,0,0,0,0|2,0,0]=4
24  B3R0.2  OB(O)O DB11326 [2,0,0,0,0,0|2,0,0]=4
25  B5R0.3  OCC(O)CO DB09462 [1,1,0,0,0,0|0,0,0]=2
26  B5R0.3  OCC(S)CS DB06782 [1,1,0,0,0,0|0,1,0]=3
27  B5R0.5  CC(O)C(=O)O DB04398 [1,1,0,0,0,0|0,0,1]=3
28  B5R0.5  CC(O)C(=O)[O-] DB06768 [1,1,0,0,0,0|0,0,2]=4
29  B5R0.5  CC(O)C(=O)[O-] DB13231 [1,1,0,0,0,0|0,0,2]=4
30  B5R0.5  C[C@H](N)C(=O)O DB00160 [1,1,0,0,0,0|1,0,1]=4
31  B7R0.11  [C-]#[N+]CC(C)(C)OC DB09161 [0,2,0,0,0,0|2,0,0]=4
32  B7R0.16  CC(C)[C@H](N)C(=O)O DB00161 [0,2,0,0,0,0|1,0,1]=4
33  B7R0.16  C[C@@H](O)[C@H](N)C(=O)O DB00156 [0,2,0,0,0,0|0,0,1]=3
34  B7R0.6  O=C(O)CCC(=O)O DB00139 [0,2,0,0,0,0|1,0,1]=4
35  B5R1.2  O=C1CCO1 DB09348 [1,0,0,1,0,0|1,0,1]=4
36  B5R1.3  ClCC1CO1 DB00658 [1,0,0,1,0,0|1,0,0]=3