0  B10R1.18  CC(N)CC1=CC=CC=C1 HMDB0014328 [0,0,0,0,0,0|0,0,0]=0
1  B10R1.18  C[C@@H](N)CC1=CC=CC=C1 HMDB0012128 [0,0,0,0,0,0|0,0,0]=0
2  B10R1.18  C[C@H](N)CC1=CC=CC=C1 HMDB0015516 [0,0,0,0,0,0|0,0,0]=0
3  B10R1.18  OC(=O)CC1=CC=CC=N1 HMDB0060722 [0,0,0,0,0,0|3,0,1]=4
4  B11R1.20  CC(=O)N=C1C=CC(=O)C=C1 HMDB0060946 [0,1,0,0,0,0|2,0,1]=4
5  B11R1.20  CC(=O)NC1=CC=C(O)C=C1 HMDB0001859 [0,1,0,0,0,0|2,0,1]=4
6  B11R1.20  CC(N)CC1=CC=C(O)C=C1 HMDB0060765 [0,1,0,0,0,0|0,0,0]=1
7  B11R1.36  C[C@@H](N)[C@@H](O)C1=CC=CC=C1 HMDB0001942 [0,1,0,0,0,0|0,0,0]=1
8  B11R1.40  CN[C@@H](C)CC1=CC=CC=C1 HMDB0015517 [0,1,0,0,0,0|0,0,0]=1
9  B11R1.509  CC(C)(N)CC1=CC=CC=C1 HMDB0014337 [0,1,0,0,0,0|0,0,0]=1
10  B11R2.4  N[C@@H]1CC1C2=CC=CC=C2 HMDB0014890 [0,0,0,1,0,0|0,0,0]=1
11  B9R1.6  CC(=O)C1=CC=CC=C1 HMDB0033910 [0,0,0,0,1,0|1,0,1]=3
12  B11R1.91  OC(=O)CCC1=CC=CC=C1 HMDB0000764 [0,0,0,0,0,1|2,0,1]=4
13  B8R1.2  OCC1=CC=CC=C1 HMDB0003119 [2,0,0,0,0,0|1,0,0]=3
14  B10R1.17  CNCCC1=CC=CC=N1 HMDB0015644 [1,1,0,0,0,0|1,0,0]=3
15  B10R1.17  NNCCC1=CC=CC=C1 HMDB0014918 [1,1,0,0,0,0|0,0,0]=2
16  B10R1.17  O=COCC1=CC=CC=C1 HMDB0041485 [1,1,0,0,0,0|1,0,1]=4
17  B10R1.61  NC(=O)C1=CC=CC=C1O HMDB0015687 [0,1,0,0,1,0|1,0,1]=4
18  B12R1.21  CN(C)CCC1=CC=C(O)C=C1 HMDB0004366 [0,1,0,0,0,1|2,0,0]=4
19  B12R1.43  CC(CC1=CC=CC=C1)N(C)C HMDB0041880 [0,1,0,0,0,1|2,0,0]=4
20  B12R1.19  CC(=O)CC1=CC(O)=C(O)C=C1 HMDB0031132 [0,2,0,0,0,0|1,0,1]=4
21  B12R1.19  CC(N)CC1=CC(O)=C(O)C=C1 HMDB0060807 [0,2,0,0,0,0|0,0,0]=2
22  B12R1.20  C[C@@H](N)[C@@H](O)C1=CC=C(O)C=C1 HMDB0060592 [0,2,0,0,0,0|0,0,0]=2
23  B12R1.49  CNC(C)CC1=CC=C(O)C=C1 HMDB0060767 [0,2,0,0,0,0|0,0,0]=2
24  B12R1.34  CNC(C)C(=O)C1=CC=CC=C1 HMDB0041927 [0,2,0,0,0,0|0,0,1]=3
25  B12R1.34  CN[C@@H](C)[C@@H](O)C1=CC=CC=C1 HMDB0001943 [0,2,0,0,0,0|0,0,0]=2
26  B12R1.34  CN[C@@H](C)[C@H](O)C1=CC=CC=C1 HMDB0015451 [0,2,0,0,0,0|0,0,0]=2
27  B12R1.225  C[C@H](N)[C@H](O)C1=CC(O)=CC=C1 HMDB0014748 [0,2,0,0,0,0|0,0,0]=2
28  B12R1.32  CN(CC#C)CC1=CC=CC=C1 HMDB0015563 [0,2,0,0,0,0|2,0,0]=4
29  B12R1.194  CNC(C)(C)CC1=CC=CC=C1 HMDB0015452 [0,2,0,0,0,0|0,0,0]=2
30  B8R1.8  NCCC1=CC=NN1 HMDB0014417 [1,0,0,0,1,0|2,0,0]=4
31  B8R1.8  NCCC1=CN=CN1 HMDB0014805 [1,0,0,0,1,0|2,0,0]=4