0  B6R1.2  CC1=CC=CO1 HMDB0013749 [0,0,0,0,0,0|3,0,0]=3
1  B6R1.2  CC1=CNN=C1 HMDB0015344 [0,0,0,0,0,0|0,0,0]=0
2  B5R1.1  C1=CNC=N1 HMDB0001525 [1,0,0,0,0,0|2,0,0]=3
3  B5R1.1  C1=COC=C1 HMDB0013785 [1,0,0,0,0,0|2,0,0]=3
4  B7R1.1  OCC1=CC=CO1 HMDB0013742 [0,1,0,0,0,0|3,0,0]=4
5  B7R1.1  OCC1=CNN=C1 HMDB0060768 [0,1,0,0,0,0|0,0,0]=1
6  B7R1.2  CC1=CC=C(C)O1 HMDB0033182 [0,1,0,0,0,0|3,0,0]=4
7  B7R1.4  CC1=CSC=C1C HMDB0032980 [0,1,0,0,0,0|2,0,0]=3
8  B7R1.4  CN1C=CNC1=S HMDB0014901 [0,1,0,0,0,0|2,0,0]=3
9  B7R1.3  CC1=CC=CC=C1 HMDB0034168 [0,0,0,0,0,1|2,0,0]=3
10  B7R1.3  NC1=CC=CC=C1 HMDB0003012 [0,0,0,0,0,1|3,0,0]=4
11  B7R1.3  OC1=CC=CC=C1 HMDB0000228 [0,0,0,0,0,1|3,0,0]=4
12  B4R0.1  CC(=O)C=O HMDB0001167 [1,0,1,0,0,0|2,0,0]=4
13  B4R0.1  CC(=O)CN HMDB0002134 [1,0,1,0,0,0|1,0,1]=4
14  B4R0.1  CC(=O)NO HMDB0014691 [1,0,1,0,0,0|2,0,0]=4
15  B4R0.1  C\C(O)=N\N HMDB0060428 [1,0,1,0,0,0|1,0,0]=3
16  B8R1.2  COC1=CC=CC=C1 HMDB0033895 [0,1,0,0,0,1|2,0,0]=4
17  B8R1.2  NCC1=CC=CC=C1 HMDB0033871 [0,1,0,0,0,1|2,0,0]=4
18  B8R1.3  CC1=CC=C(O)C=C1 HMDB0001858 [0,1,0,0,0,1|2,0,0]=4
19  B8R1.4  CC1=CC=CC(O)=C1 HMDB0002048 [0,1,0,0,0,1|2,0,0]=4
20  B8R1.4  NC1=CC=NC(=O)N1 HMDB0000630 [0,1,0,0,0,1|2,0,0]=4
21  B8R1.4  O=C1C=CNC(=O)N1 HMDB0000300 [0,1,0,0,0,1|2,0,0]=4
22  B8R1.5  CC1=CC=CC=C1O HMDB0002055 [0,1,0,0,0,1|2,0,0]=4
23  B8R1.5  N=C1C=CNC=C1O HMDB0060741 [0,1,0,0,0,1|2,0,0]=4
24  B8R1.7  O=C(O)C1=CNN=C1 HMDB0060760 [0,2,0,0,0,0|0,0,1]=3
25  B8R1.8  NCCC1=CC=NN1 HMDB0014417 [0,2,0,0,0,0|2,0,0]=4
26  B8R1.8  NCCC1=CNC=N1 HMDB0000870 [0,2,0,0,0,0|2,0,0]=4