0  B4R0.1  C#CC(O)C B0123 [1,0,0,0,0,0|0,1,2]=4
1  B6R0.3  OC[C@H](C)C([O-])=O H0292 [0,1,0,0,0,0|1,1,1]=4
2  B5R0.3  OCC(Cl)CO C0752 [1,1,0,0,0,0|1,1,0]=4
3  B5R0.4  CNC(C)(C)C M0515 [1,1,0,0,0,0|1,0,0]=3
4  B7R0.10  C(C(C(CS)O)O)S D0323 [0,2,0,0,0,0|1,1,0]=4