0  B4R0.1  N#CC(F)I 038351 [0,0,0,0,0,0|2,0,2]=4
1  B4R0.1  [13CH](=O)N(C)C 105188 [0,0,0,0,0,0|2,0,1]=3
2  B3R0.1  N[13CH2][13CH2]O 105350 [1,0,0,0,0,0|1,0,0]=2
3  B3R0.1  [C-]#[N+]CC 433365 [1,0,0,0,0,0|2,0,0]=3
4  B3R0.2  C(F)(F)F 003327 [1,0,0,0,0,0|3,0,0]=4
5  B3R0.2  CC(=O)O 035907 [1,0,0,0,0,0|2,0,1]=4
6  B3R0.2  CC(=O)O 044721 [1,0,0,0,0,0|2,0,1]=4
7  B3R0.2  CC(C)=O 050332 [1,0,0,0,0,0|1,0,1]=3
8  B5R0.1  CNCC(F)F 436159 [0,1,0,0,0,0|2,0,0]=3
9  B5R0.1  NNCC(F)F 094029 [0,1,0,0,0,0|2,0,0]=3
10  B5R0.3  CC(CCl)CCl 098443 [0,1,0,0,0,0|1,0,0]=2
11  B5R0.3  CCC(S)CC 105148 [0,1,0,0,0,0|2,0,0]=3
12  B5R0.3  CNC(=O)NN 237741 [0,1,0,0,0,0|2,0,1]=4
13  B5R0.4  CC(C)(C)CBr 403118 [0,1,0,0,0,0|1,0,0]=2
14  B5R0.4  CC(C)(F)C#N 062795 [0,1,0,0,0,0|0,0,2]=3
15  B5R0.4  CC(C)(F)CBr 386871 [0,1,0,0,0,0|1,0,0]=2
16  B5R0.4  CC(C)(F)CO 104410 [0,1,0,0,0,0|1,0,0]=2
17  B5R0.4  CC(C)(N)C#N 030869 [0,1,0,0,0,0|0,0,2]=3
18  B5R0.4  CC(C)(N)C#N 078649 [0,1,0,0,0,0|0,0,2]=3
19  B5R0.4  COC(C)(C)C 044713 [0,1,0,0,0,0|2,0,0]=3
20  B5R0.4  COC(C)(C)C 106403 [0,1,0,0,0,0|2,0,0]=3
21  B2R0.1  C[13CH2]I 105184 [2,0,0,0,0,0|1,0,0]=3
22  B2R0.1  ClCCl 035912 [2,0,0,0,0,0|2,0,0]=4
23  B2R0.1  [13CH3][13CH2]I 105187 [2,0,0,0,0,0|1,0,0]=3
24  B4R0.2  CCN=C=O 386377 [1,1,0,0,0,0|1,0,1]=4
25  B4R0.2  COCC=O 105128 [1,1,0,0,0,0|1,0,1]=4
26  B4R0.2  CSCCBr 472152 [1,1,0,0,0,0|1,0,0]=3
27  B4R0.3  CC(F)(F)I 105382 [1,1,0,0,0,0|2,0,0]=4
28  B6R0.1  COCC(C)CN 105383 [0,2,0,0,0,0|0,0,0]=2
29  B6R0.2  CC(C)NC(C)C 005001 [0,2,0,0,0,0|1,0,0]=3
30  B6R0.3  CCC(C)C(C)N 214338 [0,2,0,0,0,0|0,0,0]=2
31  B6R0.3  CCC(C)S(=O)[O-] 070719 [0,2,0,0,0,0|2,0,0]=4
32  B6R0.3  CCC(N)C(C)C 214340 [0,2,0,0,0,0|0,0,0]=2
33  B6R0.3  CNC(=O)[C@H](C)N 105085 [0,2,0,0,0,0|1,0,1]=4
34  B6R0.3  COC(C)C(=O)O 219524 [0,2,0,0,0,0|1,0,1]=4
35  B6R0.4  CC(C)CCCBr 113000 [0,2,0,0,0,0|1,0,0]=3
36  B6R0.8  COC(C)(C)CBr 468927 [0,2,0,0,0,0|1,0,0]=3
37  B6R0.9  CCN(CC)CC 005055 [0,2,0,0,0,0|2,0,0]=4
38  B6R0.9  CCN(CC)CC 105227 [0,2,0,0,0,0|2,0,0]=4
39  B6R0.7  CC(C)(F)C(=O)Cl 105008 [0,2,0,0,0,0|1,0,1]=4
40  B6R0.7  CC(C)S(=O)(=O)F 070500 [0,2,0,0,0,0|2,0,0]=4
41  B6R1.7  OCC1(Br)CC1 105295 [0,1,0,1,0,0|1,0,0]=3