0  B6R0.6  C=CCNCCC 4088685 [2,0,0,0,0,0|1,0,1]=4
1  B8R1.5  O=C1CCCNC1=O 4038506 [1,0,0,1,0,0|2,0,0]=4
2  B8R1.1  CCC1CNC(=O)C1 4026756 [1,0,0,1,0,0|1,0,1]=4