0  B4R0.1  CN(N)C=O D74578 [0,0,0,0,0,0|3,1,0]=4
1  B4R0.1  O=S([O-])CF AT25043 [0,0,0,0,0,0|3,0,1]=4
2  B3R0.2  C[13C](=O)[O-] 41466 [1,0,0,0,0,0|2,0,1]=4
3  B3R0.2  O=[13C]([O-])[O-] 41464 [1,0,0,0,0,0|1,0,2]=4
4  B3R0.2  O=[15N+]([O-])[O-] 41463 [1,0,0,0,0,0|0,1,2]=4
5  B3R0.2  O=[15N+]([O-])[O-] 41467 [1,0,0,0,0,0|0,1,2]=4
6  B3R0.2  O=[N+]([O-])[O-] 41450 [1,0,0,0,0,0|0,1,2]=4
7  B3R0.2  [13CH3]C(=O)[O-] 41465 [1,0,0,0,0,0|2,0,1]=4
8  B3R0.2  [13CH3][13C](=O)O 41419 [1,0,0,0,0,0|2,0,1]=4
9  B3R0.2  [13CH3][13C](=O)[O-] 41460 [1,0,0,0,0,0|2,0,1]=4
10  B5R0.4  C#CS(C)(=O)=O AT11264 [0,1,0,0,0,0|3,0,0]=4
11  B5R0.4  CS(=O)(=O)CBr AT13120 [0,1,0,0,0,0|3,0,0]=4
12  B5R0.4  O=S(=O)(Cl)CF AT12627 [0,1,0,0,0,0|3,0,0]=4
13  B2R0.1  O=[15N][O-] 41469 [2,0,0,0,0,0|0,1,1]=4