0  B4R0.1  COC(N)=S 105257 [0,0,0,0,0,0|2,1,0]=3
1  B4R0.1  [13CH](=O)N(C)C 105188 [0,0,0,0,0,0|3,0,1]=4
2  B4R0.1  [2H]C(=O)OC 105254 [0,0,0,0,0,0|2,0,0]=2
3  B3R0.1  N[13CH2][13CH2]O 105350 [1,0,0,0,0,0|2,0,1]=4
4  B3R0.1  [C-]#[N+]CC 433365 [1,0,0,0,0,0|2,0,1]=4
5  B3R0.2  CC(=O)O 035907 [1,0,0,0,0,0|0,0,0]=1
6  B3R0.2  CC(=O)O 044721 [1,0,0,0,0,0|0,0,0]=1
7  B3R0.2  CC(C)=O 050332 [1,0,0,0,0,0|1,0,0]=2
8  B3R0.2  O=C(O)O 094746 [1,0,0,0,0,0|1,0,0]=2
9  B3R0.2  O=C(O)O 105338 [1,0,0,0,0,0|1,0,0]=2
10  B3R0.2  O=C([O-])[O-] 044706 [1,0,0,0,0,0|1,0,1]=3
11  B3R0.2  O=C([O-])[O-] 245931 [1,0,0,0,0,0|1,0,1]=3
12  B3R0.2  [2H]C(=O)O 105268 [1,0,0,0,0,0|1,0,0]=2
13  B3R0.2  [2H]C(=O)[O-] 105199 [1,0,0,0,0,0|1,0,1]=3
14  B5R0.1  CCOC(=S)Cl 470560 [0,1,0,0,0,0|2,1,0]=4
15  B5R0.1  CCOC(N)=S 105176 [0,1,0,0,0,0|2,1,0]=4
16  B5R0.1  [2H]C(=O)OCC 105259 [0,1,0,0,0,0|2,0,0]=3
17  B5R0.3  CNC(=O)NN 237741 [0,1,0,0,0,0|2,0,0]=3
18  B5R0.4  CC(C)(F)CO 104410 [0,1,0,0,0,0|2,0,1]=4
19  B5R0.4  COC(C)(C)C 044713 [0,1,0,0,0,0|2,0,1]=4
20  B5R0.4  COC(C)(C)C 106403 [0,1,0,0,0,0|2,0,1]=4
21  B5R0.5  O=C(Cl)C(F)Cl 104873 [0,1,0,0,0,0|3,0,0]=4
22  B2R0.1  C[13CH2]I 105184 [2,0,0,0,0,0|1,0,1]=4
23  B2R0.1  O=CO 080324 [2,0,0,0,0,0|0,0,0]=2
24  B2R0.1  [13CH3][13CH2]I 105187 [2,0,0,0,0,0|1,0,1]=4
25  B4R0.2  COCC=O 105128 [1,1,0,0,0,0|1,0,0]=3
26  B4R0.3  O=P(O)(O)O 099856 [1,1,0,0,0,0|2,0,0]=4
27  B6R0.1  CCOC(=O)OC 075947 [0,2,0,0,0,0|1,0,0]=3
28  B6R0.2  CC(=O)OC(C)=O 035908 [0,2,0,0,0,0|0,0,1]=3
29  B6R0.3  CNC(=O)[C@H](C)N 105085 [0,2,0,0,0,0|2,0,0]=4
30  B6R0.3  COC(C)C(=O)O 219524 [0,2,0,0,0,0|1,0,1]=4
31  B6R0.4  CCCCC(C)=O 098350 [0,2,0,0,0,0|2,0,0]=4
32  B6R1.6  ON=C1CCC1 069003 [0,1,0,1,0,0|2,0,0]=4