0  B15R0.70  C=CCCCCCCCCCCCCCO D97263 [1,0,0,0,0,0|2,0,1]=4
1  B15R0.2002  C=CCCCCCCCCC(=O)NCCO A11015 [1,0,0,0,0,0|2,0,0]=3
2  B17R0.12412  CCCCCCCCCCC(=O)CCCCCC D93031 [0,1,0,0,0,0|1,0,2]=4
3  B16R0.303  C=CCCCCCCCCCCCCCCBr A51198 [1,1,0,0,0,0|1,0,1]=4
4  B16R0.303  CCCC\C=C/CCCCCCCCCC=O T72592 [1,1,0,0,0,0|1,0,1]=4