0  B9R1.35  CC1=CC=C(C(=O)O)O1 HMDB0059735 [0,0,0,0,0,0|3,0,0]=3
1  B8R1.7  O=C(O)C1=CC=CN1 HMDB0004230 [1,0,0,0,0,0|2,0,0]=3
2  B8R1.7  O=C(O)C1=CC=CO1 HMDB0000617 [1,0,0,0,0,0|2,0,0]=3
3  B8R1.7  O=C(O)C1=CNN=C1 HMDB0060760 [1,0,0,0,0,0|2,0,0]=3
4  B10R1.31  O=C(O)C1=CC=C(CO)O1 HMDB0002432 [0,1,0,0,0,0|3,0,0]=4
5  B8R0.23  C\C(=C\C(=O)O)C(=O)O HMDB0000634 [0,0,1,0,0,0|1,1,1]=4
6  B8R0.28  O=C(O)\C=C\CC(=O)O HMDB0000620 [0,0,1,0,0,0|3,0,0]=4
7  B8R0.28  O=C(O)\C=C\CC(=O)O HMDB0061185 [0,0,1,0,0,0|3,0,0]=4
8  B10R1.13  NC1=CC=C(C(=O)O)C=C1 HMDB0001392 [0,0,0,0,0,1|2,0,0]=3
9  B10R1.13  O=C(O)C1=CC=C(O)C=C1 HMDB0000500 [0,0,0,0,0,1|2,0,0]=3
10  B10R1.13  O=C(O)C1=CN=C(O)C=C1 HMDB0002658 [0,0,0,0,0,1|2,0,0]=3
11  B10R1.113  NC1=CC=CC(C(=O)O)=C1 HMDB0001891 [0,0,0,0,0,1|2,0,0]=3
12  B10R1.113  O=C(O)C1=CC(Cl)=CC=C1 HMDB0001544 [0,0,0,0,0,1|1,0,0]=2
13  B10R1.113  O=C(O)C1=CC(O)=CC=C1 HMDB0002466 [0,0,0,0,0,1|2,0,0]=3
14  B7R0.6  O=C(O)\C=C\C(=O)O HMDB0000134 [1,0,1,0,0,0|1,1,0]=4
15  B7R0.6  O=C(O)\C=C\C(=O)O HMDB0000176 [1,0,1,0,0,0|1,1,0]=4
16  B7R1.1  O=CC1=CC=CO1 HMDB0032914 [2,0,0,0,0,0|2,0,0]=4
17  B9R0.79  C=C(C(=C)C(=O)O)C(=O)O HMDB0059762 [0,1,1,0,0,0|1,1,0]=4
18  B11R1.3  CCC1=CC=C(C(=O)O)C=C1 HMDB0002097 [0,1,0,0,0,1|2,0,0]=4
19  B11R1.3  COC1=CC=C(C(=O)O)C=N1 HMDB0059749 [0,1,0,0,0,1|2,0,0]=4
20  B11R1.21  CC1=CC(C(=O)O)=CC=C1O HMDB0004815 [0,1,0,0,0,1|2,0,0]=4
21  B11R1.21  O=C(O)C1=CC(O)=C(O)C=C1 HMDB0001856 [0,1,0,0,0,1|2,0,0]=4
22  B11R1.22  COC(=O)C1=CC=C(O)C=C1 HMDB0032572 [0,1,0,0,0,1|2,0,0]=4
23  B11R1.166  NC1=CC(O)=C(C(=O)O)C=C1 HMDB0014378 [0,1,0,0,0,1|2,0,0]=4
24  B11R1.166  O=C(O)C1=C(O)C=C(O)C=C1 HMDB0029666 [0,1,0,0,0,1|2,0,0]=4
25  B11R1.74  O=C(O)C1=CC(O)=CC(O)=C1 HMDB0013677 [0,1,0,0,0,1|2,0,0]=4
26  B11R1.74  O=C1C=C(C(=O)O)NC(=O)N1 HMDB0000226 [0,1,0,0,0,1|2,0,0]=4
27  B11R1.159  CC1=C(N)C(C(=O)O)=CC=C1 HMDB0060680 [0,1,0,0,0,1|2,0,0]=4
28  B11R1.159  CC1=C(O)C(C(=O)O)=CC=C1 HMDB0002390 [0,1,0,0,0,1|2,0,0]=4
29  B11R1.159  NC1=C(O)C=CC=C1C(=O)O HMDB0001476 [0,1,0,0,0,1|2,0,0]=4
30  B11R1.159  NC1=CC=CC(C(=O)O)=C1O HMDB0001972 [0,1,0,0,0,1|2,0,0]=4
31  B11R1.159  O=C(O)C1=C(O)C(O)=CC=C1 HMDB0000397 [0,1,0,0,0,1|2,0,0]=4
32  B11R1.167  NC1=CC(C(=O)O)=C(O)C=C1 HMDB0014389 [0,1,0,0,0,1|2,0,0]=4
33  B11R1.167  O=C(O)C1=C(O)C=CC(O)=C1 HMDB0000152 [0,1,0,0,0,1|2,0,0]=4
34  B11R1.266  COC1=CC=CC(C(=O)O)=C1 HMDB0032606 [0,1,0,0,0,1|2,0,0]=4
35  B9R1.6  O=C(O)C1=CC=CC=C1 HMDB0001870 [0,0,1,1,0,0|2,0,0]=4
36  B9R1.6  O=C(O)C1=CN=CC=C1 HMDB0001488 [0,0,1,1,0,0|2,0,0]=4
37  B9R1.13  O=C(O)CC1=CN=CN1 HMDB0002024 [1,0,0,0,0,1|2,0,0]=4
38  B11R1.20  O=C(O)CC1=CC=C(O)C=C1 HMDB0000020 [0,0,0,0,0,2|2,0,0]=4
39  B11R1.157  O=C(O)CC1=CC(O)=CC=C1 HMDB0000440 [0,0,0,0,0,2|2,0,0]=4