0  B6R0.4  OC(CCCN)=O G0043 [0,0,0,0,0,0|0,0,0]=0
1  B5R0.1  CC(OCBr)=O B0074 [1,0,0,0,0,0|3,0,0]=4
2  B5R0.1  CNCC(O)=O S0121 [1,0,0,0,0,0|1,0,0]=2
3  B5R0.2  BrCCCC=C B0624 [1,0,0,0,0,0|2,0,0]=3
4  B7R0.5  [NH3+]CCC([NH3+])C(O)=O D0154 [0,1,0,0,0,0|0,0,1]=2
5  B7R0.8  OP(OCCN)(O)=O C0021 [0,1,0,0,0,0|2,0,0]=3
6  B7R1.18  OC([C@@H]1CCN1)=O A0051 [0,0,0,1,0,0|0,0,0]=1
7  B4R0.2  CC\C=N\O P0059 [2,0,0,0,0,0|1,0,1]=4
8  B6R0.2  CC(O)CC([O-])=O H0080 [1,1,0,0,0,0|0,0,1]=3
9  B6R0.3  OC[C@H](C)C([O-])=O H0292 [1,1,0,0,0,0|1,0,1]=4
10  B6R0.5  O=S(O)(CCN)=O T0187 [1,1,0,0,0,0|1,0,0]=3
11  B6R0.6  C(CON)CON A0193 [1,1,0,0,0,0|1,0,1]=4
12  B6R0.6  CCCC/C=C/I I0047 [1,1,0,0,0,0|2,0,0]=4
13  B8R0.23  O=C(O)[C@H](N)CC(O)=O A0326 [0,2,0,0,0,0|1,0,1]=4
14  B8R0.8  N[C@H](C(O)=O)CCSC M0524 [0,2,0,0,0,0|1,0,0]=3
15  B8R0.8  O=C(O)C(N)CCSC D0444 [0,2,0,0,0,0|1,0,0]=3
16  B8R0.9  [NH3+]CC(CCC(O)=O)=O A0364 [0,2,0,0,0,0|0,0,1]=3
17  B8R1.5  BrC1CCCCC1=O B0249 [0,1,0,1,0,0|2,0,0]=4
18  B8R1.7  O=C(O)[C@H]1NCCC1 P0446 [0,1,0,1,0,0|0,0,0]=2