0  B6R0.6  CCCC\C=C\I I0047 [1,0,0,0,0,0|1,0,2]=4
1  B8R0.4  CCCCCC\C=C\I I0037 [0,1,0,0,0,0|2,0,1]=4
2  B9R0.18  CCCCC(O)CCCC N0066 [0,2,0,0,0,0|2,0,0]=4