0  B8R0.28  CC(=O)CCCC(=O)C a158 [0,0,0,0,0,0|1,0,3]=4
1  B7R0.6  C\C(=C\CC(=O)O)\Cl bio046 [0,0,0,0,1,0|2,0,1]=4
2  B8R0.6  CCCCNC(=O)CBr jmc060 [1,1,0,0,0,0|2,0,0]=4