0  B4R0.1  CC(O)CO DB01839 [1,0,0,0,0,0|1,0,1]=3
1  B6R0.5  C[N+](C)(C)CCO DB00122 [0,1,0,0,0,0|1,0,2]=4
2  B6R0.5  C[N+](C)([11CH3])CCO DB09277 [0,1,0,0,0,0|1,0,2]=4
3  B6R0.5  C[N+](C)([11CH3])CCO DB09563 [0,1,0,0,0,0|1,0,2]=4
4  B3R0.1  CCCO DB03175 [2,0,0,0,0,0|0,0,1]=3
5  B3R0.1  NCCS DB00847 [2,0,0,0,0,0|1,1,0]=4
6  B3R0.2  CC(=O)O DB03166 [2,0,0,0,0,0|1,0,1]=4
7  B3R0.2  CC(=O)[O-] DB00258 [2,0,0,0,0,0|1,0,1]=4
8  B3R0.2  CC(=O)[O-] DB09395 [2,0,0,0,0,0|1,0,1]=4
9  B3R0.2  CC(=O)[O-] DB09409 [2,0,0,0,0,0|1,0,1]=4
10  B3R0.2  CC(=O)[O-] DB13996 [2,0,0,0,0,0|1,0,1]=4
11  B3R0.2  CC(C)O DB02325 [2,0,0,0,0,0|0,0,1]=3
12  B3R0.2  CS(C)=O DB01093 [2,0,0,0,0,0|1,0,0]=3
13  B5R0.3  OCC(O)CO DB09462 [1,1,0,0,0,0|1,0,1]=4
14  B5R0.3  OCC(S)CS DB06782 [1,1,0,0,0,0|1,0,1]=4
15  B5R0.5  CC(=O)C(=O)O DB00119 [1,1,0,0,0,0|1,0,1]=4
16  B5R0.5  CC(O)C(=O)O DB04398 [1,1,0,0,0,0|1,0,0]=3
17  B5R0.5  CC(O)C(=O)[O-] DB06768 [1,1,0,0,0,0|1,0,0]=3
18  B5R0.5  CC(O)C(=O)[O-] DB13231 [1,1,0,0,0,0|1,0,0]=3
19  B5R0.5  C[C@H](N)C(=O)O DB00160 [1,1,0,0,0,0|1,0,0]=3
20  B5R0.5  O=C(O)C(Cl)Cl DB08809 [1,1,0,0,0,0|2,0,0]=4
21  B7R0.11  [C-]#[N+]CC(C)(C)OC DB09161 [0,2,0,0,0,0|2,0,0]=4
22  B7R0.9  C[N+](C)(C)CC(=O)[O-] DB06756 [0,2,0,0,0,0|1,0,0]=3
23  B7R0.16  CC(C)[C@H](N)C(=O)O DB00161 [0,2,0,0,0,0|0,0,0]=2
24  B7R0.16  C[C@@H](O)[C@H](N)C(=O)O DB00156 [0,2,0,0,0,0|1,0,0]=3
25  B7R0.6  CC(=O)CCC(=O)[O-] DB13800 [0,2,0,0,0,0|1,0,1]=4
26  B5R1.3  ClCC1CO1 DB00658 [1,0,0,1,0,0|2,0,0]=4