0  B8R0.28  CC(C)CCCC(C)N D05228 [1,0,0,0,0,0|2,0,1]=4
1  B10R0.57  C=C(C#N)C(=O)OCC(C)C D03172 [0,1,0,0,0,0|0,0,3]=4
2  B9R0.1  CN[C@H](C)CCC=C(C)C D10922 [1,1,0,0,0,0|1,0,1]=4