0  B9R0.45  C=CCCCCCCCC T73018 [1,0,0,0,0,0|2,0,1]=4
1  B9R0.45  CC#CCCCCCCC H11435 [1,0,0,0,0,0|2,0,1]=4
2  B9R0.45  C\C=C/CCCCCCC T70533 [1,0,0,0,0,0|2,0,1]=4
3  B8R0.4  CNCCCCCCO AT11159 [2,0,0,0,0,0|1,1,0]=4