0  B5R0.2  BrCCCC=C B0624 [1,0,0,0,0,0|3,0,0]=4
1  B6R0.2  CC(O)CC([O-])=O H0080 [1,1,0,0,0,0|0,1,0]=3
2  B6R0.6  CCCC/C=C/I I0047 [1,1,0,0,0,0|2,0,0]=4