0  B5R0.3  SCC([NH3+])C[NH3+] D0138 [0,0,0,0,0,0|2,0,0]=2
1  B4R0.1  CC(Br)C#C B0250 [1,0,0,0,0,0|2,0,1]=4
2  B6R0.3  C[C@H](CO)C([O-])=O H0291 [0,1,0,0,0,0|1,1,1]=4
3  B6R0.3  OC([C@@H](C)CN)=O A0147 [0,1,0,0,0,0|2,0,1]=4
4  B6R0.3  OC([C@H](C)CN)=O A0148 [0,1,0,0,0,0|2,0,1]=4
5  B5R1.3  FCC1CO1 E0243 [1,0,0,1,0,0|1,1,0]=4