0  B3R0.1  COCCl 1789 [1,1,0,0,0,0|1,0,1]=4
1  B5R0.1  COC[C@@H](C)N 3696 [0,2,0,0,0,0|1,0,1]=4
2  B5R0.1  O=C(O)\C=N\O 1812 [0,2,0,0,0,0|1,0,0]=3
3  B5R0.3  CNC(=O)NN 657 [0,2,0,0,0,0|0,0,2]=4