0  B5R0.1  CC(C)CCBr AS03680 [0,0,0,0,0,0|2,0,1]=3
1  B5R0.1  CC(C)CCI AS02269 [0,0,0,0,0,0|2,0,1]=3
2  B5R0.1  CC(CCBr)Br AS03525 [0,0,0,0,0,0|2,0,1]=3
3  B4R0.1  CC(C)CI AS02270 [1,0,0,0,0,0|2,0,1]=4
4  B4R0.1  CCC(C)Br AS03110 [1,0,0,0,0,0|1,0,1]=3
5  B4R0.1  CCC(C)I AS02225 [1,0,0,0,0,0|1,0,1]=3
6  B4R0.2  C#CCCO AS06900 [1,0,0,0,0,0|1,0,2]=4
7  B4R0.2  C(CI)CI AS02145 [1,0,0,0,0,0|2,0,1]=4
8  B4R0.2  CCCCBr AS03109 [1,0,0,0,0,0|1,0,1]=3
9  B4R0.2  CCCCI AS02224 [1,0,0,0,0,0|1,0,1]=3
10  B4R0.2  CCN=C=O AS04390 [1,0,0,0,0,0|1,0,1]=3
11  B4R0.2  CNCC#C AS02457 [1,0,0,0,0,0|1,0,2]=4
12  B4R0.2  COCC#N AS05866 [1,0,0,0,0,0|2,0,1]=4
13  B6R0.4  C(CC(=O)O)CBr AS03111 [0,1,0,0,0,0|1,0,0]=2
14  B6R0.5  CS(=O)(=O)CC#N AS06226 [0,1,0,0,0,0|2,0,1]=4
15  B6R1.3  C1CC1CCO AS06009 [0,0,0,1,0,0|2,0,1]=4
16  B6R1.11  C1CC1C(=O)Cl AS06212 [0,0,0,1,0,0|1,0,0]=2
17  B3R0.1  CCCI AS02290 [2,0,0,0,0,0|1,0,0]=3
18  B3R0.2  CC(=S)O AS06232 [2,0,0,0,0,0|1,0,1]=4
19  B3R0.2  CC(C)I AS02291 [2,0,0,0,0,0|1,0,1]=4
20  B3R0.2  CS(=O)[O-] AS06227 [2,0,0,0,0,0|2,0,0]=4
21  B5R0.5  CC(C(=O)O)F AS06129 [1,1,0,0,0,0|1,0,0]=3
22  B5R0.2  C(CC#N)CBr AS05812 [1,1,0,0,0,0|1,0,1]=4
23  B5R0.2  C(CCBr)CBr AS03526 [1,1,0,0,0,0|1,0,1]=4
24  B5R0.2  C(CCI)CI AS02133 [1,1,0,0,0,0|1,0,1]=4
25  B5R0.2  CCCCCI AS02280 [1,1,0,0,0,0|0,0,1]=3
26  B7R0.3  CCCCC(CBr)Br AS03557 [0,2,0,0,0,0|1,0,1]=4
27  B7R0.5  CCOC(=O)C(F)Br AS02420 [0,2,0,0,0,0|1,0,0]=3
28  B7R0.7  CCOC(=O)N=C=S AS04373 [0,2,0,0,0,0|1,0,1]=4
29  B7R0.9  C(C(=O)N)C(F)(F)F AS02453 [0,2,0,0,0,0|2,0,0]=4
30  B7R0.9  CC(C)CS(=O)(=O)Cl AS03415 [0,2,0,0,0,0|2,0,0]=4
31  B7R0.4  C(CCBr)CC(=O)O AS03476 [0,2,0,0,0,0|1,0,0]=3
32  B7R0.6  CC(C)CO[N+](=O)[O-] AS06223 [0,2,0,0,0,0|2,0,0]=4
33  B7R0.8  C(CS(=O)(=O)Cl)CCl AS04634 [0,2,0,0,0,0|2,0,0]=4
34  B7R1.1  C1CCC(C1)C#N AS05826 [0,1,0,1,0,0|1,0,1]=4
35  B7R1.22  C1CC1C(=O)CBr AS05252 [0,1,0,1,0,0|0,0,0]=2
36  B7R1.20  C1CC1CC(=O)O AS06096 [0,1,0,1,0,0|1,0,0]=3
37  B7R1.14  C1COS(=O)(=O)C1 AS01254 [0,1,0,1,0,0|2,0,0]=4