0  B5R1.1  N1C=CN=C1 HMDB0001525 [0,0,0,0,0,0|1,0,3]=4
1  B6R1.1  C1CNCCN1 HMDB0014730 [0,0,0,0,0,1|0,0,0]=1
2  B3R0.1  NCCN HMDB0031225 [1,0,1,0,0,0|1,0,0]=3
3  B5R0.3  OCC(S)CS HMDB0015677 [0,1,1,0,0,0|2,0,0]=4
4  B7R1.4  NN1CCOC1=O HMDB0060739 [0,2,0,0,0,0|1,0,1]=4
5  B7R1.4  N[C@@H]1CONC1=O HMDB0014405 [0,2,0,0,0,0|1,0,1]=4
6  B5R1.3  ClCC1CO1 HMDB0014796 [0,0,1,1,0,0|2,0,0]=4