0  B4R0.1  CC(O)CO DB01839 [0,0,0,0,0,0|1,0,0]=1
1  B4R0.1  CC[C@@H](C)O DB02606 [0,0,0,0,0,0|0,0,0]=0
2  B4R0.1  O=C(O)CO DB03085 [0,0,0,0,0,0|2,0,1]=3
3  B3R0.1  CN=C=O DB12765 [1,0,0,0,0,0|1,0,2]=4
4  B3R0.1  NCCS DB00847 [1,0,0,0,0,0|1,1,0]=3
5  B3R0.2  CC(=O)[O-] DB00258 [1,0,0,0,0,0|1,0,2]=4
6  B3R0.2  CC(C)O DB02325 [1,0,0,0,0,0|0,0,0]=1
7  B3R0.2  O=[Se](O)O DB11127 [1,0,0,0,0,0|3,0,0]=4
8  B5R0.1  CCCC(=O)O DB03568 [0,1,0,0,0,0|1,0,1]=3
9  B5R0.1  CNCC(=O)O DB12519 [0,1,0,0,0,0|1,0,1]=3
10  B5R0.3  OCC(O)CO DB09462 [0,1,0,0,0,0|1,0,0]=2
11  B5R0.4  FCC(F)(F)F DB13116 [0,1,0,0,0,0|3,0,0]=4
12  B5R0.5  CC(=O)C(=O)O DB00119 [0,1,0,0,0,0|1,0,2]=4
13  B5R0.5  CC(O)C(=O)[O-] DB13231 [0,1,0,0,0,0|1,0,1]=3
14  B5R0.5  O=C(O)C(Cl)Cl DB08809 [0,1,0,0,0,0|2,0,1]=4
15  B2R0.1  CCCl DB13259 [2,0,0,0,0,0|1,0,0]=3
16  B2R0.1  CON DB06328 [2,0,0,0,0,0|2,0,0]=4
17  B2R0.1  O=CO DB01942 [2,0,0,0,0,0|1,0,1]=4
18  B2R0.1  O=NO DB09112 [2,0,0,0,0,0|2,0,0]=4
19  B4R0.3  CS(C)(=O)=O DB14090 [1,1,0,0,0,0|1,0,1]=4
20  B6R0.3  N[C@H](CO)C(=O)O DB03929 [0,2,0,0,0,0|1,0,1]=4
21  B6R0.4  NCCCC(=O)O DB02530 [0,2,0,0,0,0|1,0,1]=4
22  B6R0.5  C[N+](C)([11CH3])CCO DB09277 [0,2,0,0,0,0|2,0,0]=4
23  B6R0.5  O=S(=O)(O)CCS DB09110 [0,2,0,0,0,0|2,0,0]=4
24  B6R0.7  OC(O)C(Cl)(Cl)Cl DB01563 [0,2,0,0,0,0|2,0,0]=4
25  B4R1.2  CC1CO1 DB11451 [1,0,0,1,0,0|0,0,0]=2