0  B10R1.118  CC1=NC(C)=C(C)N=C1C HMDB0036584 [0,0,0,0,0,0|0,0,0]=0
1  B9R1.69  CC1=CC(O)=C(C)C=C1 HMDB0030540 [1,0,0,0,0,0|3,0,0]=4
2  B9R1.69  CC1=CC=C(O)C=C1C HMDB0032151 [1,0,0,0,0,0|3,0,0]=4
3  B9R1.69  CC1=NC(C)=C(C)N=C1 HMDB0031844 [1,0,0,0,0,0|0,0,0]=1
4  B11R1.277  CC1=CC(C)=C(C=O)C=C1C HMDB0032015 [0,1,0,0,0,0|2,0,1]=4
5  B8R1.3  CC1=CC=C(C)C=C1 HMDB0031461 [2,0,0,0,0,0|2,0,0]=4
6  B8R1.3  CC1=CN=C(C)C=N1 HMDB0035289 [2,0,0,0,0,0|0,0,0]=2
7  B8R1.4  CC1=CC=CC(C)=N1 HMDB0032972 [2,0,0,0,0,0|1,0,0]=3
8  B8R1.4  CC1=CN=CC(C)=N1 HMDB0035248 [2,0,0,0,0,0|0,0,0]=2
9  B8R1.5  CC1=C(C)N=CC=N1 HMDB0032971 [2,0,0,0,0,0|0,0,0]=2
10  B10R1.25  CC1=CN=C(C=C)C(C)=N1 HMDB0034891 [1,1,0,0,0,0|0,0,1]=3
11  B10R1.25  CCC1=C(C)N=C(C)C=N1 HMDB0040299 [1,1,0,0,0,0|0,0,0]=2
12  B10R1.25  COC1=C(C)C=C(C)C=C1 HMDB0032149 [1,1,0,0,0,0|2,0,0]=4
13  B10R1.25  COC1=C(C)N=C(C)C=N1 HMDB0040911 [1,1,0,0,0,0|0,0,0]=2
14  B10R1.30  CCC1=NC(C)=CN=C1C HMDB0032276 [1,1,0,0,0,0|0,0,0]=2
15  B10R1.119  CC1=C(C)C(O)=C(C)C=C1 HMDB0029667 [1,1,0,0,0,0|2,0,0]=4
16  B10R1.176  CCC1=CN=C(C)C(C)=N1 HMDB0029727 [1,1,0,0,0,0|0,0,0]=2
17  B12R1.448  CCC1=C(CC)N=C(C)C(C)=N1 HMDB0039980 [0,2,0,0,0,0|0,0,0]=2
18  B12R1.449  CCC1=NC(CC)=C(C)N=C1C HMDB0039981 [0,2,0,0,0,0|0,0,0]=2
19  B12R1.450  CCC1=NC(C)=C(CC)N=C1C HMDB0039979 [0,2,0,0,0,0|0,0,0]=2
20  B12R1.1123  CC1=NC(C)=C(CC=C)N=C1C HMDB0039982 [0,2,0,0,0,0|0,0,0]=2
21  B12R1.1123  CCCC1=C(C)N=C(C)C(C)=N1 HMDB0040001 [0,2,0,0,0,0|0,0,0]=2
22  B10R1.113  CC(C)=C1CCC=C(C)C1 HMDB0033200 [0,0,1,1,0,0|2,0,0]=4
23  B12R2.100  CC1=NC2=C(CCC2)N=C1C HMDB0036142 [0,1,0,1,0,0|0,0,0]=2
24  B8R1.18  CC1=CC(C)=C(C)O1 HMDB0029721 [1,0,0,0,1,0|1,0,0]=3
25  B8R1.18  CC1=CC(S)=C(C)O1 HMDB0040197 [1,0,0,0,1,0|2,0,0]=4
26  B8R1.18  CC1=NC(C)=C(C)O1 HMDB0040148 [1,0,0,0,1,0|1,0,0]=3
27  B8R1.18  CC1=NC(C)=C(C)S1 HMDB0033155 [1,0,0,0,1,0|1,0,0]=3
28  B8R1.50  CN1C(C)=CC=C1C HMDB0029722 [1,0,0,0,1,0|2,0,0]=4