0  B4R0.2  CCN=C=O 386377 [0,0,0,0,0,0|1,0,1]=2
1  B4R0.2  COCC=O 105128 [0,0,0,0,0,0|1,0,0]=1
2  B4R0.2  CSCCBr 472152 [0,0,0,0,0,0|2,0,1]=3
3  B3R0.1  N[13CH2][13CH2]O 105350 [1,0,0,0,0,0|1,0,1]=3
4  B3R0.1  [C-]#[N+]CC 433365 [1,0,0,0,0,0|1,0,1]=3
5  B5R0.1  CCOC(=S)Cl 470560 [0,1,0,0,0,0|1,1,0]=3
6  B5R0.1  CCOC(N)=S 105176 [0,1,0,0,0,0|1,1,0]=3
7  B5R0.1  CNCC(F)F 436159 [0,1,0,0,0,0|2,0,1]=4
8  B5R0.1  NNCC(F)F 094029 [0,1,0,0,0,0|3,0,0]=4
9  B5R0.1  [2H]C(=O)OCC 105259 [0,1,0,0,0,0|1,0,0]=2
10  B5R0.2  CCOCC#N 104806 [0,1,0,0,0,0|1,0,1]=3
11  B5R0.2  CSCCC#N 371092 [0,1,0,0,0,0|1,0,1]=3
12  B5R0.2  N#CCCC=O 101160 [0,1,0,0,0,0|0,0,1]=2
13  B5R0.3  CC(CCl)CCl 098443 [0,1,0,0,0,0|2,0,1]=4
14  B5R0.3  CCC(S)CC 105148 [0,1,0,0,0,0|1,0,1]=3
15  B5R1.1  C1CCOC1 046883 [0,0,0,1,0,0|0,0,2]=3
16  B5R1.1  C1CCOC1 046883 [0,0,0,1,0,0|0,0,2]=3
17  B5R1.1  C1CCOC1 106169 [0,0,0,1,0,0|0,0,2]=3
18  B2R0.1  C[13CH2]I 105184 [2,0,0,0,0,0|1,0,0]=3
19  B2R0.1  ClCCl 035912 [2,0,0,0,0,0|2,0,0]=4
20  B2R0.1  O=CO 080324 [2,0,0,0,0,0|1,0,0]=3
21  B2R0.1  [13CH3][13CH2]I 105187 [2,0,0,0,0,0|1,0,0]=3
22  B4R0.1  COC(N)=S 105257 [1,1,0,0,0,0|1,1,0]=4
23  B4R0.1  [13CH](=O)N(C)C 105188 [1,1,0,0,0,0|1,0,0]=3
24  B4R0.1  [2H]C(=O)OC 105254 [1,1,0,0,0,0|1,0,0]=3
25  B6R0.1  CCOC(=O)OC 075947 [0,2,0,0,0,0|1,0,0]=3
26  B6R0.1  COCC(C)CN 105383 [0,2,0,0,0,0|1,0,1]=4
27  B6R0.2  CC(=O)OC(C)=O 035908 [0,2,0,0,0,0|1,0,1]=4
28  B6R0.3  CCC(C)C(C)N 214338 [0,2,0,0,0,0|1,0,1]=4
29  B6R0.3  CCC(C)S(=O)[O-] 070719 [0,2,0,0,0,0|1,0,0]=3
30  B6R0.3  CCC(N)C(C)C 214340 [0,2,0,0,0,0|1,0,1]=4
31  B6R0.3  CCN(Cl)C(=O)O 105234 [0,2,0,0,0,0|1,0,0]=3
32  B6R0.3  COC(C)C(=O)O 219524 [0,2,0,0,0,0|1,0,0]=3
33  B6R0.4  CC(C)CCCBr 113000 [0,2,0,0,0,0|1,0,1]=4
34  B6R0.4  CCCCC(C)=O 098350 [0,2,0,0,0,0|0,0,0]=2
35  B6R0.4  O=CNCC(=O)O 242940 [0,2,0,0,0,0|1,0,1]=4
36  B6R1.6  ON=C1CCC1 069003 [0,1,0,1,0,0|0,0,1]=3
37  B6R1.7  OCC1(Br)CC1 105295 [0,1,0,1,0,0|0,0,2]=4