0  B3R0.2  CC(=O)O HMDB0000042 [0,0,0,0,0,0|4,0,0]=4
1  B3R0.2  CC(C)=O HMDB0001659 [0,0,0,0,0,0|4,0,0]=4
2  B3R0.2  CC(C)O HMDB0000863 [0,0,0,0,0,0|4,0,0]=4
3  B3R0.2  CN(C)C HMDB0000906 [0,0,0,0,0,0|4,0,0]=4
4  B3R0.2  N=C(N)N HMDB0001842 [0,0,0,0,0,0|4,0,0]=4
5  B3R0.2  NC(N)=O HMDB0000294 [0,0,0,0,0,0|4,0,0]=4
6  B3R0.2  O=C(O)O HMDB0000595 [0,0,0,0,0,0|4,0,0]=4
7  B3R0.2  O=S(O)O HMDB0000240 [0,0,0,0,0,0|4,0,0]=4
8  B3R0.2  O=[N+]([O-])[O-] HMDB0002878 [0,0,0,0,0,0|4,0,0]=4
9  B2R0.1  CC=O HMDB0000990 [1,0,0,0,0,0|3,0,0]=4
10  B2R0.1  CCN HMDB0013231 [1,0,0,0,0,0|3,0,0]=4
11  B2R0.1  CCO HMDB0000108 [1,0,0,0,0,0|3,0,0]=4
12  B2R0.1  CNC HMDB0000087 [1,0,0,0,0,0|3,0,0]=4
13  B2R0.1  CSC HMDB0002303 [1,0,0,0,0,0|3,0,0]=4
14  B2R0.1  N#C[S-] HMDB0001453 [1,0,0,0,0,0|3,0,0]=4
15  B2R0.1  O=C=O HMDB0001967 [1,0,0,0,0,0|3,0,0]=4
16  B2R0.1  O=CO HMDB0000142 [1,0,0,0,0,0|3,0,0]=4
17  B2R0.1  O=NO HMDB0002786 [1,0,0,0,0,0|3,0,0]=4
18  B4R0.3  N[Pt](N)(Cl)Cl HMDB0014656 [0,1,0,0,0,0|2,0,0]=3
19  B1R0.1  C#[N-] HMDB0002084 [2,0,0,0,0,0|2,0,0]=4
20  B1R0.1  C=O HMDB0001426 [2,0,0,0,0,0|2,0,0]=4
21  B1R0.1  CN HMDB0000164 [2,0,0,0,0,0|2,0,0]=4
22  B1R0.1  CO HMDB0001875 [2,0,0,0,0,0|2,0,0]=4
23  B1R0.1  CS HMDB0003227 [2,0,0,0,0,0|2,0,0]=4
24  B1R0.1  Cl[Tl] HMDB0013724 [2,0,0,0,0,0|1,0,0]=3
25  B1R0.1  II HMDB0000675 [2,0,0,0,0,0|0,2,0]=4
26  B1R0.1  N#N HMDB0001371 [2,0,0,0,0,0|2,0,0]=4
27  B1R0.1  NN HMDB0012973 [2,0,0,0,0,0|2,0,0]=4
28  B1R0.1  NO HMDB0003338 [2,0,0,0,0,0|2,0,0]=4
29  B1R0.1  O=[Mg] HMDB0015458 [2,0,0,0,0,0|2,0,0]=4
30  B1R0.1  S=[Se] HMDB0015106 [2,0,0,0,0,0|2,0,0]=4
31  B3R0.1  C(=O)CCl HMDB0013860 [1,1,0,0,0,0|2,0,0]=4