0  B5R0.1  CC(OCBr)=O B0074 [1,0,0,0,0,0|2,0,0]=3
1  B5R0.1  CNCC(O)=O S0121 [1,0,0,0,0,0|1,1,0]=3
2  B7R0.2  COC(=O)C[C@@H](C)O H0102 [0,1,0,0,0,0|0,1,0]=2
3  B7R0.10  OCC(C)C(O[Na])=O H0085 [0,1,0,0,0,0|2,1,0]=4
4  B7R1.4  O=C1[C@@H]([NH3+])CCO1 H0310 [0,0,0,1,0,0|3,0,0]=4
5  B4R0.2  CC\C=N\O P0059 [2,0,0,0,0,0|2,0,0]=4
6  B6R0.2  CC(O)CC([O-])=O H0080 [1,1,0,0,0,0|0,1,0]=3
7  B6R0.3  OC[C@H](C)C([O-])=O H0292 [1,1,0,0,0,0|1,1,0]=4
8  B6R0.4  OC(CCCN)=O G0043 [1,1,0,0,0,0|0,1,0]=3
9  B6R0.6  CCCC/C=C/I I0047 [1,1,0,0,0,0|2,0,0]=4
10  B6R0.8  CCS(=O)(OC)=O E0582 [1,1,0,0,0,0|1,1,0]=4
11  B8R1.5  BrC1CCCCC1=O B0249 [0,1,0,1,0,0|1,0,0]=3
12  B8R1.19  CC1(C)CCCC1=O D0333 [0,1,0,1,0,0|1,0,0]=3