0  B5R0.1  CNCC(=O)O CP09001 [0,1,0,0,0,0|3,0,0]=4
1  B5R0.1  CNCC(N)=O CP09005 [0,1,0,0,0,0|3,0,0]=4
2  B6R0.1  CNCC(=O)OC CP09008 [0,2,0,0,0,0|1,1,0]=4