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|2,0,0]=3
2  B5R0.2  ClC\C=C/CCl C0779 [1,0,0,0,0,0|2,0,1]=4
3  B7R0.2  COC(=O)C[C@@H](C)O H0102 [0,1,0,0,0,0|1,0,0]=2
4  B7R0.10  OCC(C)C(O[Na])=O H0085 [0,1,0,0,0,0|3,0,0]=4
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  B4R0.2  CC\C=N\O P0059 [2,0,0,0,0,0|2,0,0]=4
8  B6R0.2  CC(O)CC([O-])=O H0080 [1,1,0,0,0,0|1,0,0]=3
9  B6R0.3  OC[C@H](C)C([O-])=O H0292 [1,1,0,0,0,0|2,0,0]=4
10  B6R0.4  OC(CCCN)=O G0043 [1,1,0,0,0,0|1,0,0]=3
11  B6R0.6  CCCC/C=C/I I0047 [1,1,0,0,0,0|1,0,1]=4
12  B6R0.8  CCS(=O)(OC)=O E0582 [1,1,0,0,0,0|2,0,0]=4
13  B8R0.1  O=C(OCC)CN=[N+]=[N-] E0230 [0,2,0,0,0,0|2,0,0]=4
14  B8R0.1  O=C(OCC)CN=[N+]=[N-] E0530 [0,2,0,0,0,0|2,0,0]=4
15  B8R0.1  O=C(OCC)CN=[N+]=[N-] E0531 [0,2,0,0,0,0|2,0,0]=4
16  B8R0.1  O=C(OCC)CN=[N+]=[N-] E0532 [0,2,0,0,0,0|2,0,0]=4
17  B8R0.9  [NH3+]CC(CCC(O)=O)=O A0364 [0,2,0,0,0,0|1,0,1]=4
18  B8R1.5  BrC1CCCCC1=O B0249 [0,1,0,1,0,0|0,0,0]=2
19  B8R1.19  CC1(C)CCCC1=O D0333 [0,1,0,1,0,0|0,0,0]=2
20  B8R1.8  C(CO)N1CCCC1 H0504 [0,1,0,1,0,0|2,0,0]=4