0  B4R0.1  C#CC(O)C B0123 [0,0,0,0,0,0|2,0,2]=4
1  B3R0.2  NC(N)=N G0058 [1,0,0,0,0,0|3,0,0]=4
2  B3R0.2  NC([NH3+])=N G0040 [1,0,0,0,0,0|3,0,0]=4
3  B5R0.1  CC(OCBr)=O B0074 [0,1,0,0,0,0|1,0,0]=2
4  B5R0.1  CNCC(O)=O S0121 [0,1,0,0,0,0|3,0,0]=4
5  B5R0.3  OCC(Cl)CO C0752 [0,1,0,0,0,0|2,0,1]=4
6  B4R0.2  CC\C=N\O P0059 [1,1,0,0,0,0|1,0,0]=3
7  B6R0.2  CC(O)CC([O-])=O H0080 [0,2,0,0,0,0|2,0,0]=4
8  B6R0.3  OC[C@H](C)C([O-])=O H0292 [0,2,0,0,0,0|1,0,1]=4
9  B6R0.8  CCS(=O)(OC)=O E0582 [0,2,0,0,0,0|2,0,0]=4