0  B5R0.1  CC(OCBr)=O B0074 [0,0,0,0,0,0|1,1,0]=2
1  B5R0.1  CNCC(O)=O S0121 [0,0,0,0,0,0|3,0,0]=3
2  B4R0.2  CC\C=N\O P0059 [1,0,0,0,0,0|2,0,1]=4
3  B6R0.2  CC(O)CC([O-])=O H0080 [0,1,0,0,0,0|2,0,0]=3
4  B6R0.3  OC[C@H](C)C([O-])=O H0292 [0,1,0,0,0,0|3,0,0]=4
5  B6R0.4  OC(CCCN)=O G0043 [0,1,0,0,0,0|2,0,0]=3
6  B5R0.2  BrCCCC=C B0624 [1,1,0,0,0,0|1,0,1]=4
7  B5R0.2  ClC\C=C/CCl C0779 [1,1,0,0,0,0|2,0,0]=4
8  B7R0.2  COC(=O)C[C@@H](C)O H0102 [0,2,0,0,0,0|1,0,0]=3
9  B7R0.5  [NH3+]CCC([NH3+])C(O)=O D0154 [0,2,0,0,0,0|2,0,0]=4
10  B7R1.1  C1CCN(C1)N=O N0378 [0,1,0,1,0,0|2,0,0]=4
11  B7R1.4  O=C1NOC[C@H]1N D0356 [0,1,0,1,0,0|2,0,0]=4
12  B7R1.4  O=C1[C@@H]([NH3+])CCO1 H0310 [0,1,0,1,0,0|0,1,0]=3
13  B7R1.18  OC([C@@H]1CCN1)=O A0051 [0,1,0,1,0,0|2,0,0]=4