0  B10R1.15  C=C(C=O)C1=CC=CC=C1 HMDB0060671 [0,0,0,0,0,0|1,0,3]=4
1  B10R1.15  NNC(=O)C1=CC=NC=C1 HMDB0015086 [0,0,0,0,0,0|3,0,1]=4
2  B9R1.6  CC(=O)C1=CC=CC=C1 HMDB0033910 [1,0,0,0,0,0|1,0,1]=3
3  B11R1.36  C[C@@H](N)[C@@H](O)C1=CC=CC=C1 HMDB0001942 [0,1,0,0,0,0|1,0,0]=2
4  B11R2.4  N[C@@H]1CC1C2=CC=CC=C2 HMDB0014890 [0,0,0,1,0,0|0,0,0]=1
5  B11R1.40  CN[C@@H](C)CC1=CC=CC=C1 HMDB0015517 [0,0,0,0,0,1|2,0,0]=3
6  B8R1.2  OCC1=CC=CC=C1 HMDB0003119 [2,0,0,0,0,0|1,0,0]=3
7  B10R1.61  NC(=O)C1=CC=CC=C1O HMDB0015687 [1,1,0,0,0,0|1,0,1]=4
8  B10R1.17  CNCCC1=CC=CC=N1 HMDB0015644 [1,1,0,0,0,0|1,0,0]=3
9  B10R1.17  NNCCC1=CC=CC=C1 HMDB0014918 [1,1,0,0,0,0|0,0,0]=2
10  B10R1.17  O=COCC1=CC=CC=C1 HMDB0041485 [1,1,0,0,0,0|1,0,1]=4
11  B10R1.18  CC(N)CC1=CC=CC=C1 HMDB0014328 [1,1,0,0,0,0|0,0,0]=2
12  B10R1.18  C[C@@H](N)CC1=CC=CC=C1 HMDB0012128 [1,1,0,0,0,0|0,0,0]=2
13  B10R1.18  C[C@H](N)CC1=CC=CC=C1 HMDB0015516 [1,1,0,0,0,0|0,0,0]=2
14  B12R1.32  CN(CC#C)CC1=CC=CC=C1 HMDB0015563 [0,1,0,0,0,1|2,0,0]=4
15  B12R1.34  CNC(C)C(=O)C1=CC=CC=C1 HMDB0041927 [0,1,0,0,0,1|2,0,0]=4
16  B12R1.34  CN[C@@H](C)[C@@H](O)C1=CC=CC=C1 HMDB0001943 [0,1,0,0,0,1|2,0,0]=4
17  B12R1.34  CN[C@@H](C)[C@H](O)C1=CC=CC=C1 HMDB0015451 [0,1,0,0,0,1|2,0,0]=4
18  B12R1.43  CC(CC1=CC=CC=C1)N(C)C HMDB0041880 [0,1,0,0,0,1|2,0,0]=4
19  B12R1.49  CNC(C)CC1=CC=C(O)C=C1 HMDB0060767 [0,1,0,0,0,1|2,0,0]=4
20  B12R1.194  CNC(C)(C)CC1=CC=CC=C1 HMDB0015452 [0,1,0,0,0,1|2,0,0]=4
21  B12R1.10  CC[N+](C)(C)C1=CC(O)=CC=C1 HMDB0015145 [0,2,0,0,0,0|2,0,0]=4
22  B12R1.17  CNC[C@H](O)C1=CC(O)=CC=C1 HMDB0002182 [0,2,0,0,0,0|1,0,0]=3
23  B12R1.20  C[C@@H](N)[C@@H](O)C1=CC=C(O)C=C1 HMDB0060592 [0,2,0,0,0,0|1,0,0]=3
24  B12R1.225  C[C@H](N)[C@H](O)C1=CC(O)=CC=C1 HMDB0014748 [0,2,0,0,0,0|1,0,0]=3
25  B12R2.2  C1CNC(C1)C2=CC=CN=C2 HMDB0001126 [0,1,0,1,0,0|2,0,0]=4
26  B8R1.8  NCCC1=CC=NN1 HMDB0014417 [1,0,0,0,1,0|2,0,0]=4
27  B8R1.8  NCCC1=CN=CN1 HMDB0014805 [1,0,0,0,1,0|2,0,0]=4