0  B5R0.5  C[C@H](N)C(N)=O 094668 [0,0,0,0,0,0|2,1,1]=4
1  B4R0.1  CNN(C)C 062215 [1,0,0,0,0,0|3,0,0]=4
2  B4R0.1  [C-]#[N+]C(C)C 480961 [1,0,0,0,0,0|2,0,1]=4
3  B6R0.3  COC(=O)[C@@H](C)Br 097700 [0,1,0,0,0,0|1,1,1]=4
4  B6R0.7  CC(O)C(Cl)(Cl)Cl 099765 [0,1,0,0,0,0|2,1,0]=4
5  B3R0.1  C#CCC 009072 [2,0,0,0,0,0|0,0,2]=4
6  B3R0.1  CNNC 371949 [2,0,0,0,0,0|2,0,0]=4
7  B3R0.2  C[AlH3](C)C 098855 [2,0,0,0,0,0|2,0,0]=4
8  B7R0.5  CC(C)C(C)N=C=O 097760 [0,2,0,0,0,0|1,1,0]=4
9  B5R1.3  SCC1CC1 099822 [1,0,0,1,0,0|1,0,0]=3