0  B5R0.1  CC(C)CCBr AS03680 [0,0,0,0,0,0|3,0,1]=4
1  B5R0.1  CC(C)CCI AS02269 [0,0,0,0,0,0|3,0,1]=4
2  B5R0.1  CC(CCBr)Br AS03525 [0,0,0,0,0,0|3,0,1]=4
3  B4R0.1  CCC(C)Br AS03110 [1,0,0,0,0,0|2,0,1]=4
4  B4R0.1  CCC(C)I AS02225 [1,0,0,0,0,0|2,0,1]=4
5  B4R0.2  C#CCCO AS06900 [1,0,0,0,0,0|0,0,3]=4
6  B4R0.2  C(CI)CI AS02145 [1,0,0,0,0,0|2,0,1]=4
7  B4R0.2  CCCCBr AS03109 [1,0,0,0,0,0|1,0,1]=3
8  B4R0.2  CCCCI AS02224 [1,0,0,0,0,0|1,0,1]=3
9  B4R0.2  CCN=C=O AS04390 [1,0,0,0,0,0|1,0,1]=3
10  B4R0.2  CNCC#C AS02457 [1,0,0,0,0,0|2,0,1]=4
11  B4R0.2  COCC#N AS05866 [1,0,0,0,0,0|2,0,1]=4
12  B6R0.4  C(CC(=O)O)CBr AS03111 [0,1,0,0,0,0|0,0,0]=1
13  B6R1.11  C1CC1C(=O)Cl AS06212 [0,0,0,1,0,0|1,0,0]=2
14  B3R0.1  CCCI AS02290 [2,0,0,0,0,0|1,0,0]=3
15  B3R0.2  CC(=S)O AS06232 [2,0,0,0,0,0|0,1,0]=3
16  B3R0.2  CS(=O)[O-] AS06227 [2,0,0,0,0,0|1,0,1]=4
17  B5R0.5  CC(C(=O)O)F AS06129 [1,1,0,0,0,0|0,0,0]=2
18  B5R0.2  C(CC#N)CBr AS05812 [1,1,0,0,0,0|1,0,1]=4
19  B5R0.2  C(CCBr)CBr AS03526 [1,1,0,0,0,0|1,0,1]=4
20  B5R0.2  C(CCI)CI AS02133 [1,1,0,0,0,0|1,0,1]=4
21  B5R0.2  CCCCCI AS02280 [1,1,0,0,0,0|1,0,1]=4
22  B7R0.5  CCOC(=O)C(F)Br AS02420 [0,2,0,0,0,0|2,0,0]=4
23  B7R0.7  CCOC(=O)N=C=S AS04373 [0,2,0,0,0,0|1,1,0]=4
24  B7R0.9  C(C(=O)N)C(F)(F)F AS02453 [0,2,0,0,0,0|2,0,0]=4
25  B7R0.9  CC(C)CS(=O)(=O)Cl AS03415 [0,2,0,0,0,0|1,0,1]=4
26  B7R0.4  C(CCBr)CC(=O)O AS03476 [0,2,0,0,0,0|0,0,0]=2
27  B7R0.6  CC(C)CO[N+](=O)[O-] AS06223 [0,2,0,0,0,0|1,0,1]=4
28  B7R0.8  C(CS(=O)(=O)Cl)CCl AS04634 [0,2,0,0,0,0|1,0,1]=4
29  B7R1.22  C1CC1C(=O)CBr AS05252 [0,1,0,1,0,0|1,0,0]=3
30  B7R1.20  C1CC1CC(=O)O AS06096 [0,1,0,1,0,0|0,0,0]=2
31  B7R1.14  C1COS(=O)(=O)C1 AS01254 [0,1,0,1,0,0|1,0,0]=3