0  B10R1.172  COC1=CC(C=O)=CC=C1 HMDB0031459 [0,0,0,0,0,0|2,0,0]=2
1  B10R1.172  COC1=CC(OC)=CC=C1 HMDB0029672 [0,0,0,0,0,0|0,0,0]=0
2  B9R1.2  CC1=CC(C=O)=CC=C1 HMDB0029637 [1,0,0,0,0,0|2,0,0]=3
3  B9R1.2  COC1=NC=CC(N)=N1 HMDB0004339 [1,0,0,0,0,0|3,0,0]=4
4  B11R1.9  COC1=CC(CO)=CC(O)=C1 HMDB0030570 [0,1,0,0,0,0|2,0,0]=3
5  B11R1.266  COC1=CC=CC(=C1)C(O)=O HMDB0032606 [0,1,0,0,0,0|2,0,0]=3
6  B11R1.280  COC1=C(O)C=CC(CO)=C1 HMDB0032012 [0,1,0,0,0,0|2,0,0]=3
7  B11R1.280  COC1=CC(C=C)=CC=C1O HMDB0013744 [0,1,0,0,0,0|1,0,1]=3
8  B11R1.280  COC1=CC(C=O)=CC=C1O HMDB0012308 [0,1,0,0,0,0|2,0,0]=3
9  B11R1.280  COC1=CC(CN)=CC=C1O HMDB0012309 [0,1,0,0,0,0|2,0,0]=3
10  B8R0.6  COC(=O)/C=C/C=C/C HMDB0029582 [1,0,1,0,0,0|1,0,0]=3
11  B8R0.7  CC/C=C/C=C/C(C)=O HMDB0032446 [1,0,1,0,0,0|2,0,0]=4
12  B8R1.2  C=CC1=CC=CC=C1 HMDB0032178 [2,0,0,0,0,0|1,0,1]=4
13  B8R1.2  CCC1=CC=CN=C1 HMDB0029734 [2,0,0,0,0,0|2,0,0]=4
14  B8R1.2  O=CC1=CC=CC=C1 HMDB0006115 [2,0,0,0,0,0|2,0,0]=4
15  B8R1.2  SCC1=CC=CC=C1 HMDB0029633 [2,0,0,0,0,0|2,0,0]=4
16  B8R1.4  CC1=CC(C)=NC=C1 HMDB0032244 [2,0,0,0,0,0|1,0,0]=3
17  B8R1.4  CC1=CC=CC(O)=C1 HMDB0002048 [2,0,0,0,0,0|0,0,0]=2
18  B8R1.4  OC1=CC(O)=CC=C1 HMDB0032037 [2,0,0,0,0,0|0,0,0]=2
19  B10R1.10  NCCC1=CC(O)=CC=C1 HMDB0004989 [1,1,0,0,0,0|1,0,0]=3
20  B10R1.30  COC1=C(O)C=CC(C)=C1 HMDB0032136 [1,1,0,0,0,0|0,0,0]=2
21  B10R1.30  COC1=CC(=O)C=CC1=O HMDB0032576 [1,1,0,0,0,0|0,0,1]=3
22  B10R1.30  OC1=CC(C=O)=C(O)C=C1 HMDB0004062 [1,1,0,0,0,0|2,0,0]=4
23  B10R1.176  NCC1=CC=C(O)C(O)=C1 HMDB0012153 [1,1,0,0,0,0|2,0,0]=4
24  B12R1.235  COC1=CC(=O)C=C(OC)C1=O HMDB0029673 [0,2,0,0,0,0|0,0,0]=2
25  B12R1.235  COC1=CC(C)=CC(OC)=C1Cl HMDB0029674 [0,2,0,0,0,0|0,0,0]=2
26  B12R1.235  COC1=CC(C)=CC(OC)=C1O HMDB0029680 [0,2,0,0,0,0|0,0,0]=2
27  B12R1.270  CCOC1=C(O)C=CC(C=O)=C1 HMDB0029665 [0,2,0,0,0,0|2,0,0]=4
28  B12R1.286  CCCC1=CC(OC)=C(O)C=C1 HMDB0032135 [0,2,0,0,0,0|1,0,0]=3
29  B12R1.286  COC1=C(O)C=CC(CC=O)=C1 HMDB0005175 [0,2,0,0,0,0|1,0,1]=4
30  B12R1.286  COC1=C(O)C=CC(CCN)=C1 HMDB0000022 [0,2,0,0,0,0|1,0,0]=3
31  B12R1.258  C1=CC(=CC(=C1)C(C)C)C(C)C HMDB0013806 [0,2,0,0,0,0|2,0,0]=4
32  B12R1.78  COC1=C(OC)C=C(C=O)C=C1 HMDB0032138 [0,2,0,0,0,0|2,0,0]=4
33  B8R1.1  CCC1=CC=C(C)O1 HMDB0029728 [1,0,0,0,1,0|2,0,0]=4
34  B8R1.1  CCC1=CC=C(C)S1 HMDB0029733 [1,0,0,0,1,0|2,0,0]=4
35  B10R1.3  COC1=CC=C(C=O)C=C1 HMDB0029686 [0,0,0,0,1,1|2,0,0]=4
36  B10R1.3  COC1=CC=C(OC)C=C1 HMDB0029671 [0,0,0,0,1,1|0,0,0]=2