0  B4R0.1  CC(=O)NO DB00551 [0,0,0,0,0,0|2,0,1]=3
1  B4R0.1  CC(O)CO DB01839 [0,0,0,0,0,0|1,0,0]=1
2  B4R0.1  NC(=O)NO DB01005 [0,0,0,0,0,0|3,0,1]=4
3  B4R0.1  NCC(O)=O DB00145 [0,0,0,0,0,0|3,0,1]=4
4  B4R0.1  OCC(O)=O DB03085 [0,0,0,0,0,0|2,0,1]=3
5  B3R0.1  NCCS DB00847 [1,0,0,0,0,0|1,1,0]=3
6  B3R0.2  CC(C)O DB02325 [1,0,0,0,0,0|0,0,0]=1
7  B3R0.2  CC(O)=O DB03166 [1,0,0,0,0,0|1,0,1]=3
8  B3R0.2  CC([O-])=O DB00258 [1,0,0,0,0,0|1,0,2]=4
9  B3R0.2  CC([O-])=O DB09395 [1,0,0,0,0,0|1,0,2]=4
10  B3R0.2  CS(C)=O DB01093 [1,0,0,0,0,0|1,0,1]=3
11  B3R0.2  NC(O)=N DB11129 [1,0,0,0,0,0|2,0,1]=4
12  B3R0.2  N[13C](O)=N DB09510 [1,0,0,0,0,0|2,0,1]=4
13  B3R0.2  OB(O)O DB11326 [1,0,0,0,0,0|3,0,0]=4
14  B3R0.2  OC([O-])=O DB01390 [1,0,0,0,0,0|2,0,1]=4
15  B3R0.2  OC([O-])=O DB11098 [1,0,0,0,0,0|2,0,1]=4
16  B5R0.3  OCC(O)CO DB09462 [0,1,0,0,0,0|1,0,0]=2
17  B5R0.3  OCC(S)CS DB06782 [0,1,0,0,0,0|1,0,0]=2
18  B5R0.5  CC(=O)C(O)=O DB00119 [0,1,0,0,0,0|1,0,2]=4
19  B5R0.5  CC(O)C(O)=O DB04398 [0,1,0,0,0,0|1,0,1]=3
20  B5R0.5  CC(O)C([O-])=O DB06768 [0,1,0,0,0,0|1,0,2]=4
21  B5R0.5  C[C@H](N)C(O)=O DB00160 [0,1,0,0,0,0|1,0,1]=3
22  B5R1.3  ClCC1CO1 DB00658 [0,0,0,1,0,0|2,0,0]=3
23  B2R0.1  CCO DB00898 [2,0,0,0,0,0|0,0,0]=2
24  B6R0.3  N[C@@H](CO)C(O)=O DB00133 [0,2,0,0,0,0|1,0,1]=4
25  B6R0.3  N[C@@H](CS)C(O)=O DB00151 [0,2,0,0,0,0|1,0,1]=4
26  B6R0.5  C[N+](C)(C)CCO DB00122 [0,2,0,0,0,0|1,0,0]=3
27  B6R0.5  C[N+](C)([11CH3])CCO DB09563 [0,2,0,0,0,0|1,0,0]=3