0  B3R0.1  CCCO DB03175 [1,0,0,0,0,0|0,0,0]=1
1  B3R0.1  NCCS DB00847 [1,0,0,0,0,0|1,0,0]=2
2  B3R0.1  O=BOO DB13235 [1,0,0,0,0,0|2,1,0]=4
3  B5R0.3  OCC(O)CO DB09462 [0,1,0,0,0,0|2,0,0]=3
4  B5R0.3  OCC(S)CS DB06782 [0,1,0,0,0,0|2,0,0]=3
5  B5R1.2  O=C1CCO1 DB09348 [0,0,0,1,0,0|2,0,0]=3
6  B5R1.3  ClCC1CO1 DB00658 [0,0,0,1,0,0|1,1,0]=3
7  B2R0.1  CCCl DB13259 [2,0,0,0,0,0|1,0,0]=3
8  B2R0.1  CCO DB00898 [2,0,0,0,0,0|0,0,0]=2
9  B2R0.1  O=CO DB01942 [2,0,0,0,0,0|0,1,1]=4
10  B2R0.1  O=NO DB09112 [2,0,0,0,0,0|1,1,0]=4
11  B4R0.1  CC(=O)NO DB00551 [1,1,0,0,0,0|1,0,1]=4
12  B4R0.1  CC(O)CO DB01839 [1,1,0,0,0,0|0,0,0]=2
13  B4R0.1  CCC(=O)O DB03766 [1,1,0,0,0,0|0,0,1]=3
14  B4R0.1  NCC(=O)O DB00145 [1,1,0,0,0,0|1,0,1]=4
15  B4R0.1  O=C(O)CO DB03085 [1,1,0,0,0,0|0,1,1]=4
16  B6R0.1  CNC(=S)NCO DB13838 [0,2,0,0,0,0|1,0,1]=4
17  B6R0.3  N[C@@H](CO)C(=O)O DB00133 [0,2,0,0,0,0|2,0,0]=4
18  B6R0.3  N[C@H](CO)C(=O)O DB03929 [0,2,0,0,0,0|2,0,0]=4
19  B6R0.4  NCCCC(=O)O DB02530 [0,2,0,0,0,0|1,0,1]=4
20  B6R0.4  O=C([O-])CCCO DB01440 [0,2,0,0,0,0|1,0,1]=4
21  B6R0.4  O=C([O-])CCCO DB09072 [0,2,0,0,0,0|1,0,1]=4
22  B6R0.5  C[N+](C)(C)CCO DB00122 [0,2,0,0,0,0|1,0,0]=3
23  B6R0.5  C[N+](C)([11CH3])CCO DB09277 [0,2,0,0,0,0|1,0,0]=3
24  B6R0.5  C[N+](C)([11CH3])CCO DB09563 [0,2,0,0,0,0|1,0,0]=3
25  B6R1.1  C1CNCCN1 DB00592 [0,1,0,1,0,0|2,0,0]=4