0  B11R1.226  CCC(C)C1SC(C)C(C)=N1 HMDB0037514 [0,0,0,0,0,0|0,0,0]=0
1  B10R1.58  CC(C)C1=NC(C)=C(C)O1 HMDB0037871 [1,0,0,0,0,0|0,1,2]=4
2  B10R1.58  CC(C)C1=NC(C)=C(C)S1 HMDB0040074 [1,0,0,0,0,0|0,0,2]=3
3  B10R1.131  CCCC1=NC(C)=C(C)O1 HMDB0037869 [1,0,0,0,0,0|0,1,2]=4
4  B10R1.131  CCCC1=NC(C)=C(C)S1 HMDB0040073 [1,0,0,0,0,0|0,0,2]=3
5  B12R1.63  CCC(C)C1=NC(C)C(CC)S1 HMDB0032201 [0,1,0,0,0,0|0,0,2]=3
6  B12R1.358  CCC(C)C1NC(C)SC(C)S1 HMDB0040336 [0,0,0,0,0,1|0,0,2]=3
7  B12R1.358  CCC(C)C1SC(C)NC(C)S1 HMDB0040337 [0,0,0,0,0,1|1,0,1]=3
8  B9R1.11  CCC(C)C1=NC=CS1 HMDB0037140 [2,0,0,0,0,0|0,0,2]=4
9  B9R1.35  CC(C)C1=NC(C)=CS1 HMDB0037156 [2,0,0,0,0,0|0,0,2]=4
10  B9R1.23  CCC1=NC(C)=C(C)S1 HMDB0040068 [2,0,0,0,0,0|0,0,2]=4
11  B9R1.23  CCC1SC(C)C(C)=N1 HMDB0037176 [2,0,0,0,0,0|0,0,0]=2
12  B11R1.48  CCC1=C(C)N=C(S1)C(C)C HMDB0040082 [1,1,0,0,0,0|0,0,2]=4
13  B11R1.48  CCC1=C(C)SC(=N1)C(C)C HMDB0040081 [1,1,0,0,0,0|0,0,2]=4
14  B11R1.80  CC(C)CC1SC(C)C(C)=N1 HMDB0037159 [1,1,0,0,0,0|0,0,0]=2
15  B11R1.187  CCCC1=NC(C)=C(CC)S1 HMDB0040080 [1,1,0,0,0,0|0,0,2]=4
16  B11R1.187  CCCC1=NC(CC)=C(C)S1 HMDB0040079 [1,1,0,0,0,0|0,0,2]=4
17  B11R1.74  CC(C)C1NC(C)SC(C)S1 HMDB0040332 [1,0,0,0,0,1|0,0,2]=4
18  B11R1.74  CC(C)C1SC(C)NC(C)S1 HMDB0040333 [1,0,0,0,0,1|1,0,1]=4