0  B5R0.1  CCOC(=S)Cl 470560 [0,0,0,0,0,0|3,1,0]=4
1  B5R0.1  CCOC(N)=S 105176 [0,0,0,0,0,0|3,1,0]=4
2  B5R0.1  NNCC(F)F 094029 [0,0,0,0,0,0|3,0,1]=4
3  B5R0.1  [2H]C(=O)OCC 105259 [0,0,0,0,0,0|3,0,0]=3
4  B4R0.1  COC(N)=S 105257 [1,0,0,0,0,0|2,1,0]=4
5  B4R0.1  [2H]C(=O)OC 105254 [1,0,0,0,0,0|2,0,0]=3
6  B4R0.2  CCN=C=O 386377 [1,0,0,0,0,0|2,0,1]=4
7  B4R0.2  COCC=O 105128 [1,0,0,0,0,0|2,0,0]=3
8  B4R0.2  CSCCBr 472152 [1,0,0,0,0,0|3,0,0]=4
9  B6R0.1  CCOC(=O)OC 075947 [0,1,0,0,0,0|2,0,0]=3
10  B6R0.3  CCC(C)S(=O)[O-] 070719 [0,1,0,0,0,0|2,0,1]=4
11  B6R0.3  CCN(Cl)C(=O)O 105234 [0,1,0,0,0,0|2,0,0]=3
12  B6R0.3  COC(C)C(=O)O 219524 [0,1,0,0,0,0|2,0,0]=3
13  B6R0.4  CCCCC(C)=O 098350 [0,1,0,0,0,0|2,0,0]=3
14  B6R0.4  O=CNCC(=O)O 242940 [0,1,0,0,0,0|1,0,1]=3
15  B3R0.1  N[13CH2][13CH2]O 105350 [2,0,0,0,0,0|0,0,0]=2
16  B3R0.1  [C-]#[N+]CC 433365 [2,0,0,0,0,0|2,0,0]=4
17  B3R0.2  CC(=O)O 035907 [2,0,0,0,0,0|0,0,0]=2
18  B3R0.2  CC(=O)O 044721 [2,0,0,0,0,0|0,0,0]=2
19  B3R0.2  CC(C)=O 050332 [2,0,0,0,0,0|1,0,0]=3
20  B3R0.2  O=C(O)O 094746 [2,0,0,0,0,0|1,0,0]=3
21  B3R0.2  O=C(O)O 105338 [2,0,0,0,0,0|1,0,0]=3
22  B3R0.2  O=C([O-])[O-] 044706 [2,0,0,0,0,0|1,0,1]=4
23  B3R0.2  O=C([O-])[O-] 245931 [2,0,0,0,0,0|1,0,1]=4
24  B3R0.2  [2H]C(=O)O 105268 [2,0,0,0,0,0|1,0,0]=3
25  B3R0.2  [2H]C(=O)[O-] 105199 [2,0,0,0,0,0|1,0,1]=4
26  B5R0.3  CNC(=O)NN 237741 [1,1,0,0,0,0|2,0,0]=4
27  B5R0.5  O=C(Cl)C(F)Cl 104873 [1,1,0,0,0,0|2,0,0]=4
28  B5R0.2  N#CCCC=O 101160 [1,1,0,0,0,0|0,0,1]=3
29  B7R0.2  C=CC(C)CC(=O)O 229282 [0,2,0,0,0,0|1,0,0]=3
30  B7R0.2  CC(C)CC(=O)NN 061371 [0,2,0,0,0,0|2,0,0]=4
31  B7R0.5  C=CCC(F)C(C)=O 049763 [0,2,0,0,0,0|2,0,0]=4
32  B7R0.5  NC(=O)C(Br)CCBr 105247 [0,2,0,0,0,0|2,0,0]=4
33  B7R0.7  CCOC(=O)OCC 094215 [0,2,0,0,0,0|2,0,0]=4
34  B7R0.10  COC(=O)C(C)CBr 104870 [0,2,0,0,0,0|1,0,0]=3
35  B7R0.9  CC(=O)CC(F)(F)F 007508 [0,2,0,0,0,0|2,0,0]=4
36  B7R0.4  CNCCCC(=O)O 242011 [0,2,0,0,0,0|0,0,0]=2
37  B7R0.6  CN(C)CCC(N)=O 043225 [0,2,0,0,0,0|1,0,0]=3
38  B5R1.1  C1CCOC1 046883 [1,0,0,1,0,0|1,0,1]=4
39  B5R1.1  C1CCOC1 046883 [1,0,0,1,0,0|1,0,1]=4
40  B5R1.1  C1CCOC1 106169 [1,0,0,1,0,0|1,0,1]=4