0  B3R0.2  CC(C)S HMDB0031634 [0,0,0,0,0,0|2,0,2]=4
1  B3R0.2  CC(N)=O HMDB0031645 [0,0,0,0,0,0|1,1,0]=2
2  B3R0.2  CC(S)=O HMDB0031188 [0,0,0,0,0,0|2,0,1]=3
3  B3R0.2  CC(S)S HMDB0032253 [0,0,0,0,0,0|2,0,2]=4
4  B3R0.2  CN(C)C HMDB0000906 [0,0,0,0,0,0|4,0,0]=4
5  B3R0.2  ClC(Cl)=C HMDB0032554 [0,0,0,0,0,0|3,0,0]=3
6  B3R0.2  ClC(Cl)Cl HMDB0029596 [0,0,0,0,0,0|3,0,1]=4
7  B3R0.2  ClN(Cl)Cl HMDB0034827 [0,0,0,0,0,0|4,0,0]=4
8  B3R0.2  NC(N)=S HMDB0034155 [0,0,0,0,0,0|0,0,0]=0
9  B3R0.2  OB(O)O HMDB0035731 [0,0,0,0,0,0|3,1,0]=4
10  B3R0.2  OS(O)=O HMDB0034829 [0,0,0,0,0,0|3,1,0]=4
11  B3R0.2  [O-]C([O-])=O HMDB0031453 [0,0,0,0,0,0|2,1,0]=3
12  B2R0.1  CCC HMDB0031630 [1,0,0,0,0,0|2,0,1]=4
13  B2R0.1  CCO HMDB0000108 [1,0,0,0,0,0|1,1,1]=4
14  B2R0.1  C[Se]C HMDB0033212 [1,0,0,0,0,0|3,0,0]=4
15  B2R0.1  ClCCl HMDB0031548 [1,0,0,0,0,0|2,0,1]=4
16  B2R0.1  ClN=O HMDB0034825 [1,0,0,0,0,0|2,1,0]=4
17  B2R0.1  O=S=O HMDB0034834 [1,0,0,0,0,0|2,1,0]=4
18  B2R0.1  O=[Cl]=O HMDB0034826 [1,0,0,0,0,0|2,1,0]=4
19  B2R0.1  O=[Si]=O HMDB0035659 [1,0,0,0,0,0|1,2,0]=4
20  B2R0.1  OB=O HMDB0034769 [1,0,0,0,0,0|2,1,0]=4
21  B2R0.1  S=C=S HMDB0036574 [1,0,0,0,0,0|1,0,1]=3
22  B2R0.1  SCS HMDB0040184 [1,0,0,0,0,0|1,0,2]=4
23  B2R0.1  [O-][N+]#N HMDB0035807 [1,0,0,0,0,0|1,1,1]=4
24  B4R0.1  CC(=C)C=C HMDB0032344 [0,1,0,0,0,0|3,0,0]=4
25  B4R0.1  CC(=O)CS HMDB0030025 [0,1,0,0,0,0|2,0,1]=4
26  B4R0.1  CC(=O)OO HMDB0031608 [0,1,0,0,0,0|2,1,0]=4
27  B4R0.1  CC(C)CN HMDB0034198 [0,1,0,0,0,0|2,0,1]=4
28  B4R0.1  CCC(C)N HMDB0032179 [0,1,0,0,0,0|2,0,1]=4
29  B4R0.1  CCC(O)=O HMDB0000237 [0,1,0,0,0,0|2,1,0]=4
30  B4R0.1  CNC(S)=S HMDB0039221 [0,1,0,0,0,0|1,0,0]=2
31  B4R0.1  COC(C)=O HMDB0031523 [0,1,0,0,0,0|2,1,0]=4
32  B4R0.1  CSC(C)=O HMDB0031189 [0,1,0,0,0,0|2,0,1]=4
33  B4R0.1  ClC=C(Cl)Cl HMDB0029593 [0,1,0,0,0,0|3,0,0]=4
34  B4R0.1  NC(=O)C=C HMDB0032161 [0,1,0,0,0,0|1,1,0]=3
35  B4R0.1  OC(=O)C=C HMDB0031647 [0,1,0,0,0,0|2,1,0]=4
36  B4R0.1  OC(=O)CCl HMDB0031331 [0,1,0,0,0,0|2,1,0]=4
37  B4R0.3  NS(O)(=O)=O HMDB0034830 [0,1,0,0,0,0|2,1,0]=4
38  B1R0.1  BrBr HMDB0031434 [2,0,0,0,0,0|2,0,0]=4
39  B1R0.1  C=C HMDB0029594 [2,0,0,0,0,0|1,0,0]=3
40  B1R0.1  CBr HMDB0031524 [2,0,0,0,0,0|1,0,1]=4
41  B1R0.1  II HMDB0000675 [2,0,0,0,0,0|2,0,0]=4
42  B1R0.1  [NH3+][O-] HMDB0032439 [2,0,0,0,0,0|0,1,1]=4
43  B3R0.1  C/C=C/S HMDB0040345 [1,1,0,0,0,0|1,0,1]=4
44  B3R0.1  CCCN HMDB0034006 [1,1,0,0,0,0|1,0,1]=4
45  B3R0.1  CN=C=S HMDB0034106 [1,1,0,0,0,0|0,0,2]=4
46  B3R0.1  NCCN HMDB0031225 [1,1,0,0,0,0|0,0,1]=3
47  B3R0.1  OCC=C HMDB0031652 [1,1,0,0,0,0|1,1,0]=4
48  B3R0.1  SCC=C HMDB0031635 [1,1,0,0,0,0|1,0,1]=4
49  B5R0.1  CCCC(N)=O HMDB0033870 [0,2,0,0,0,0|1,1,0]=4
50  B5R0.1  CCNC(C)=O HMDB0031215 [0,2,0,0,0,0|1,1,0]=4
51  B5R0.1  CCOC(N)=O HMDB0031219 [0,2,0,0,0,0|1,1,0]=4