0  B8R1.8  CSCC1=CSC=C1 HMDB0032429 [0,0,0,0,0,0|4,0,0]=4
1  B8R1.8  NCCC1=CNC=N1 HMDB0000870 [0,0,0,0,0,0|0,0,2]=2
2  B8R1.8  O=CCC1=CN=CN1 HMDB0003905 [0,0,0,0,0,0|1,0,1]=2
3  B7R1.1  OCC1=CC=CO1 HMDB0013742 [1,0,0,0,0,0|3,0,0]=4
4  B7R1.1  SCC1=CC=CS1 HMDB0031853 [1,0,0,0,0,0|3,0,0]=4
5  B9R1.7  CN1C=NC(CCN)=C1 HMDB0000898 [0,1,0,0,0,0|0,0,2]=3
6  B9R1.11  CCC(=O)C1=CC=CN1 HMDB0032492 [0,1,0,0,0,0|2,0,1]=4
7  B9R1.13  OC(=O)CC1=CN=CN1 HMDB0002024 [0,1,0,0,0,0|1,0,1]=3
8  B9R1.33  CN1C=NC=C1CCN HMDB0001861 [0,1,0,0,0,0|0,0,0]=1
9  B9R1.8  CCCC1=CC=CC=N1 HMDB0032497 [0,0,0,0,0,1|2,0,1]=4
10  B9R1.8  NCCC1=CC=CC=C1 HMDB0012275 [0,0,0,0,0,1|2,0,0]=3
11  B9R1.8  SCCC1=CC=CC=C1 HMDB0032637 [0,0,0,0,0,1|3,0,0]=4
12  B6R0.6  CC/C=C\CC=O HMDB0031498 [1,0,1,0,0,0|2,0,0]=4
13  B6R0.6  CCC=CCC=O HMDB0031497 [1,0,1,0,0,0|2,0,0]=4
14  B6R0.6  CCCC=CC=O HMDB0031496 [1,0,1,0,0,0|2,0,0]=4
15  B6R1.2  CC1=CC=CO1 HMDB0013749 [2,0,0,0,0,0|2,0,0]=4
16  B6R1.2  NC1=CN=CN1 HMDB0003929 [2,0,0,0,0,0|0,0,0]=2
17  B6R1.2  O=C1CN=CN1 HMDB0004363 [2,0,0,0,0,0|1,0,1]=4
18  B8R1.1  CCC1=CC=C(C)O1 HMDB0029728 [1,1,0,0,0,0|2,0,0]=4
19  B8R1.1  CCC1=CC=C(C)S1 HMDB0029733 [1,1,0,0,0,0|2,0,0]=4
20  B8R1.1  CCC1=CSC(C)=N1 HMDB0029731 [1,1,0,0,0,0|1,0,1]=4
21  B8R1.11  CCC1=C(C)N=CS1 HMDB0029732 [1,1,0,0,0,0|1,0,0]=3
22  B10R1.1  NCCC1=CC=C(O)C=C1 HMDB0000306 [0,1,0,0,0,1|2,0,0]=4
23  B10R1.10  NCCC1=CC(O)=CC=C1 HMDB0004989 [0,1,0,0,0,1|2,0,0]=4
24  B10R1.15  NCC(O)C1=CC=CC=C1 HMDB0001065 [0,1,0,0,0,1|2,0,0]=4
25  B10R1.27  NC(CC1=CNC=N1)C=O HMDB0012234 [0,2,0,0,0,0|0,0,2]=4
26  B10R1.27  N[C@H](CO)CC1=CN=CN1 HMDB0003431 [0,2,0,0,0,0|0,0,0]=2
27  B10R1.66  OC(=O)CCC1=CN=CN1 HMDB0002271 [0,2,0,0,0,0|1,0,0]=3
28  B10R1.64  CN1C=NC=C1CC(O)=O HMDB0004988 [0,2,0,0,0,0|1,0,1]=4
29  B8R1.4  O=C1CCNC(=O)N1 HMDB0000076 [0,0,1,1,0,0|2,0,0]=4