0  B4R0.1  C=C(Br)C=O AT26024 [0,0,0,0,0,0|4,0,0]=4
1  B4R0.1  C=C[N+](=O)[O-] AT20025 [0,0,0,0,0,0|2,1,1]=4
2  B4R0.1  CC(=O)CN D87844 [0,0,0,0,0,0|4,0,0]=4
3  B4R0.1  CC[13C](=O)O D99417 [0,0,0,0,0,0|3,0,1]=4
4  B4R0.1  NCC(N)=O FD21645 [0,0,0,0,0,0|4,0,0]=4
5  B4R0.1  [15NH2]CC(=O)O 41444 [0,0,0,0,0,0|3,0,1]=4
6  B4R0.1  [2H]C(=O)NC D99232 [0,0,0,0,0,0|3,1,0]=4
7  B4R0.1  [2H]C(=O)OC D99666 [0,0,0,0,0,0|4,0,0]=4
8  B4R0.1  [2H]N([2H])C=O D99055 [0,0,0,0,0,0|3,1,0]=4
9  B3R0.1  [2H]OC=O D99054 [1,0,0,0,0,0|3,0,0]=4
10  B3R0.2  CC(=O)O 41449 [1,0,0,0,0,0|2,0,1]=4
11  B3R0.2  CC(=O)[O-] D76174 [1,0,0,0,0,0|2,0,1]=4
12  B3R0.2  CC(=O)[O-] F20820 [1,0,0,0,0,0|2,0,1]=4
13  B3R0.2  CC(=O)[O-] T72577 [1,0,0,0,0,0|2,0,1]=4
14  B3R0.2  CC([15NH2])=O 41452 [1,0,0,0,0,0|2,1,0]=4
15  B3R0.2  C[13C](=O)[O-] D99050 [1,0,0,0,0,0|2,0,1]=4
16  B3R0.2  C[S@@](N)=O A10759 [1,0,0,0,0,0|2,1,0]=4
17  B3R0.2  N[13C](N)=O 41441 [1,0,0,0,0,0|2,1,0]=4
18  B3R0.2  O=C([O-])[O-] H11985 [1,0,0,0,0,0|1,0,2]=4
19  B3R0.2  O=[15N+]([O-])[O-] 41462 [1,0,0,0,0,0|0,1,2]=4
20  B3R0.2  O=[15N+]([O-])[O-] 41468 [1,0,0,0,0,0|0,1,2]=4
21  B3R0.2  [2H]C(=O)O T73068 [1,0,0,0,0,0|2,0,1]=4
22  B3R0.2  [2H]C(=O)[O-] D97993 [1,0,0,0,0,0|2,0,1]=4
23  B3R0.2  [2H]C(N)=O D97871 [1,0,0,0,0,0|2,1,0]=4
24  B5R0.3  CN(C=O)C=O A11155 [0,1,0,0,0,0|2,1,0]=4
25  B5R0.4  COS(=O)(=O)O 44493 [0,1,0,0,0,0|3,0,0]=4
26  B5R0.4  O=S(=O)(Cl)CI AT12636 [0,1,0,0,0,0|3,0,0]=4
27  B2R0.1  O=[15N][O-] 41396 [2,0,0,0,0,0|0,1,1]=4
28  B4R0.2  O=[Ce]O[Ce]=O F20751 [1,1,0,0,0,0|2,0,0]=4
29  B4R0.3  CS(=O)(=O)[O-] A51091 [1,1,0,0,0,0|1,0,1]=4
30  B4R0.3  O=S(=O)(O)O 41448 [1,1,0,0,0,0|1,0,1]=4
31  B4R0.3  O=S(=O)([O-])[O-] D98233 [1,1,0,0,0,0|1,0,1]=4
32  B4R0.3  O=[Re](=O)(=O)[O-] T71552 [1,1,0,0,0,0|1,0,0]=3