0  B11R1.40  CN[C@@H](C)CC1=CC=CC=C1 HMDB0015517 [0,0,0,0,0,0|0,0,0]=0
1  B10R1.17  CNCCC1=CC=CC=N1 HMDB0015644 [1,0,0,0,0,0|1,0,0]=2
2  B10R1.17  NNCCC1=CC=CC=C1 HMDB0014918 [1,0,0,0,0,0|1,0,0]=2
3  B10R1.17  O=COCC1=CC=CC=C1 HMDB0041485 [1,0,0,0,0,0|3,0,0]=4
4  B10R1.18  CC(N)CC1=CC=CC=C1 HMDB0014328 [1,0,0,0,0,0|0,0,0]=1
5  B10R1.18  C[C@@H](N)CC1=CC=CC=C1 HMDB0012128 [1,0,0,0,0,0|0,0,0]=1
6  B10R1.18  C[C@H](N)CC1=CC=CC=C1 HMDB0015516 [1,0,0,0,0,0|0,0,0]=1
7  B12R1.32  CN(CC#C)CC1=CC=CC=C1 HMDB0015563 [0,1,0,0,0,0|2,0,1]=4
8  B12R1.34  CNC(C)C(=O)C1=CC=CC=C1 HMDB0041927 [0,1,0,0,0,0|0,0,1]=2
9  B12R1.34  CN[C@@H](C)[C@@H](O)C1=CC=CC=C1 HMDB0001943 [0,1,0,0,0,0|0,0,0]=1
10  B12R1.34  CN[C@@H](C)[C@H](O)C1=CC=CC=C1 HMDB0015451 [0,1,0,0,0,0|0,0,0]=1
11  B12R1.43  CC(CC1=CC=CC=C1)N(C)C HMDB0041880 [0,1,0,0,0,0|0,0,0]=1
12  B12R1.43  N[C@@H](CC1=CC=CC=C1)C(O)=O HMDB0000159 [0,1,0,0,0,0|3,0,0]=4
13  B12R1.49  CNC(C)CC1=CC=C(O)C=C1 HMDB0060767 [0,1,0,0,0,0|0,0,0]=1
14  B12R1.194  CNC(C)(C)CC1=CC=CC=C1 HMDB0015452 [0,1,0,0,0,0|0,0,0]=1
15  B11R1.91  OC(=O)CCC1=CC=CC=C1 HMDB0000764 [1,1,0,0,0,0|2,0,0]=4
16  B11R1.20  CC(N)CC1=CC=C(O)C=C1 HMDB0060765 [1,1,0,0,0,0|0,0,0]=2
17  B11R1.36  C[C@@H](N)[C@@H](O)C1=CC=CC=C1 HMDB0001942 [1,1,0,0,0,0|0,0,0]=2
18  B11R1.509  CC(C)(N)CC1=CC=CC=C1 HMDB0014337 [1,1,0,0,0,0|0,0,0]=2
19  B13R1.417  CN/C(NCC1=CC=CC=C1)=N\C HMDB0014362 [0,1,0,0,0,1|0,0,1]=3
20  B13R1.21  CNC(C)C(=O)C1=CC=C(C)C=C1 HMDB0041923 [0,2,0,0,0,0|0,0,1]=3
21  B13R1.152  CC(C(O)C1=CC=CC=C1)N(C)C HMDB0041932 [0,2,0,0,0,0|0,0,0]=2
22  B13R1.148  CC(CC1=CC(O)=CC=C1)C(O)=O HMDB0060734 [0,2,0,0,0,0|2,0,0]=4
23  B13R1.275  CC[N+](C)(C)CC1=CC=CC=C1Br HMDB0015289 [0,2,0,0,0,0|2,0,0]=4
24  B13R1.91  CNC(C)CC1=CC=CC=C1OC HMDB0041930 [0,2,0,0,0,0|0,0,0]=2
25  B11R2.4  N[C@@H]1CC1C2=CC=CC=C2 HMDB0014890 [1,0,0,1,0,0|2,0,0]=4
26  B13R2.64  C(C1=NCCN1)C2=CC=CC=C2 HMDB0014935 [0,1,0,1,0,0|0,0,1]=3
27  B9R1.6  CC(=O)C1=CC=CC=C1 HMDB0033910 [1,0,0,0,1,0|1,0,1]=4