0  B9R0.45  CCCCCCCCCC HMDB0031450 [0,0,0,0,0,0|4,0,0]=4
1  B9R0.45  CCCCCCCCCO HMDB0031265 [0,0,0,0,0,0|4,0,0]=4
2  B9R0.45  NCCNCCNCCN HMDB0032466 [0,0,0,0,0,0|0,0,0]=0
3  B9R0.45  SCCCCCCCCS HMDB0040348 [0,0,0,0,0,0|4,0,0]=4
4  B8R0.4  CCCCCCCCC HMDB0029595 [1,0,0,0,0,0|3,0,0]=4
5  B8R0.4  CCCCCCCCO HMDB0001183 [1,0,0,0,0,0|3,0,0]=4
6  B10R0.71  NCCCCNCCCCN HMDB0031506 [0,1,0,0,0,0|2,0,0]=3
7  B10R1.21  CCCCCC1NCCS1 HMDB0040057 [0,0,0,1,0,0|3,0,0]=4
8  B7R0.1  CCCCCCCO HMDB0031479 [2,0,0,0,0,0|2,0,0]=4
9  B7R0.1  CCCCCCCS HMDB0032304 [2,0,0,0,0,0|2,0,0]=4
10  B7R0.1  CCCCOCCO HMDB0031327 [2,0,0,0,0,0|2,0,0]=4
11  B7R0.1  SCCCCCCS HMDB0031709 [2,0,0,0,0,0|2,0,0]=4
12  B9R0.2  NCCCCCNC(N)=N HMDB0031505 [1,1,0,0,0,0|1,0,1]=4
13  B9R1.8  CCCC1CCCCN1 HMDB0030285 [1,0,0,1,0,0|2,0,0]=4
14  B9R1.12  CCCCC1NCCS1 HMDB0040116 [1,0,0,1,0,0|2,0,0]=4