0  B5R0.1  CC(OCBr)=O B0074 [1,0,0,0,0,0|2,0,1]=4
1  B5R0.1  CNCC(O)=O S0121 [1,0,0,0,0,0|2,0,1]=4
2  B5R0.2  BrCCCC=C B0624 [1,0,0,0,0,0|2,0,0]=3
3  B7R0.5  [NH3+]CCC([NH3+])C(O)=O D0154 [0,1,0,0,0,0|2,0,0]=3
4  B7R1.1  C1CCN(C1)N=O N0378 [0,0,0,1,0,0|2,0,0]=3
5  B7R1.4  O=C1NOC[C@H]1N D0356 [0,0,0,1,0,0|3,0,0]=4
6  B7R1.4  O=C1[C@@H]([NH3+])CCO1 H0310 [0,0,0,1,0,0|2,0,0]=3
7  B6R0.2  CC(O)CC([O-])=O H0080 [1,1,0,0,0,0|1,0,1]=4
8  B6R0.4  OC(CCCN)=O G0043 [1,1,0,0,0,0|1,0,1]=4
9  B6R0.6  CCCC/C=C/I I0047 [1,1,0,0,0,0|1,0,0]=3
10  B8R0.8  N[C@H](C(O)=O)CCSC M0524 [0,2,0,0,0,0|1,0,0]=3
11  B8R0.8  O=C(O)C(N)CCSC D0444 [0,2,0,0,0,0|1,0,0]=3
12  B8R1.5  BrC1CCCCC1=O B0249 [0,1,0,1,0,0|1,0,0]=3
13  B8R1.7  O=C(O)[C@H]1NCCC1 P0446 [0,1,0,1,0,0|1,0,0]=3
14  B8R1.19  CC1(C)CCCC1=O D0333 [0,1,0,1,0,0|0,0,0]=2
15  B8R2.25  C1CC2OC2C=C1 E0058 [0,0,0,2,0,0|2,0,0]=4