0  B9R1.8  NCCC1=CC=CC=C1 HMDB0012275 [0,0,0,0,0,0|3,0,0]=3
1  B8R1.2  COC1=CC=CC=C1 HMDB0033895 [1,0,0,0,0,0|3,0,0]=4
2  B8R1.2  NCC1=CC=CC=C1 HMDB0033871 [1,0,0,0,0,0|3,0,0]=4
3  B10R1.1  NCCC1=CC=C(O)C=C1 HMDB0000306 [0,1,0,0,0,0|3,0,0]=4
4  B10R1.1  OCCC1=CC=C(O)C=C1 HMDB0004284 [0,1,0,0,0,0|2,1,0]=4
5  B10R1.10  NCCC1=CC(O)=CC=C1 HMDB0004989 [0,1,0,0,0,0|3,0,0]=4
6  B10R1.17  CNCCC1=CC=CC=N1 HMDB0015644 [0,1,0,0,0,0|2,0,0]=3
7  B10R1.17  NNCCC1=CC=CC=C1 HMDB0014918 [0,1,0,0,0,0|3,0,0]=4
8  B10R1.18  CC(N)CC1=CC=CC=C1 HMDB0014328 [0,1,0,0,0,0|3,0,0]=4
9  B10R1.18  C[C@H](N)CC1=CC=CC=C1 HMDB0015516 [0,1,0,0,0,0|3,0,0]=4
10  B10R1.18  O=C(O)CC1=CC=CC=N1 HMDB0060722 [0,1,0,0,0,0|1,1,1]=4
11  B10R2.7  C1=CC=C2C(=C1)OCC2 HMDB0013815 [0,0,0,1,0,0|2,1,0]=4
12  B8R1.8  NCCC1=CC=NN1 HMDB0014417 [0,0,0,0,1,0|2,0,0]=3
13  B8R1.8  NCCC1=CNC=N1 HMDB0000870 [0,0,0,0,1,0|1,0,1]=3
14  B7R1.3  CC1=CC=CC=C1 HMDB0034168 [2,0,0,0,0,0|2,0,0]=4
15  B9R1.1  CCC1=CC=C(O)C=C1 HMDB0029306 [1,1,0,0,0,0|2,0,0]=4
16  B9R1.6  CC(N)C1=CC=CC=C1 HMDB0002017 [1,1,0,0,0,0|2,0,0]=4
17  B9R1.6  NC(=O)C1=NC=CN=C1 HMDB0014483 [1,1,0,0,0,0|0,1,1]=4
18  B9R1.6  O=C(O)C1=CN=CC=N1 HMDB0059734 [1,1,0,0,0,0|0,1,1]=4
19  B9R1.7  CN1C=NC(CCN)=C1 HMDB0000898 [0,1,0,0,1,0|1,0,1]=4
20  B9R1.33  CN1C=NC=C1CCN HMDB0001861 [0,1,0,0,1,0|1,0,1]=4
21  B7R1.1  OCC1=CC=CO1 HMDB0013742 [1,0,0,0,1,0|1,1,0]=4
22  B7R1.1  OCC1=CNN=C1 HMDB0060768 [1,0,0,0,1,0|1,1,0]=4