0  B6R0.3  N#CC(N)C(N)=O B048693 [0,0,0,0,0,0|2,0,1]=3
1  B5R0.1  C#CCC(=O)O B050921 [1,0,0,0,0,0|1,0,1]=3
2  B5R0.3  CC\C(N)=N\O B030359 [1,0,0,0,0,0|2,0,1]=4
3  B5R0.5  CC(=O)C(F)F B016253 [1,0,0,0,0,0|3,0,0]=4
4  B7R0.16  CC(C(=O)O)N(C)C B039606 [0,1,0,0,0,0|3,0,0]=4
5  B7R1.4  N[C@@H]1CSC[C@H]1O B050646 [0,0,0,1,0,0|1,0,1]=3
6  B6R0.7  CC(=O)C(C)(C)N B049721 [1,1,0,0,0,0|1,0,0]=3
7  B8R0.8  CCCCC(N)C(C)=O B050536 [0,2,0,0,0,0|2,0,0]=4
8  B8R1.5  NC1CCCNC1=O B039480 [0,1,0,1,0,0|2,0,0]=4