0  B4R0.1  CN(N)C=O D74578 [0,0,0,0,0,0|4,0,0]=4
1  B4R0.1  NC(=S)CO D75093 [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|3,0,0]=4
4  B3R0.2  [13CH3]C(=O)[O-] 41465 [1,0,0,0,0,0|2,0,1]=4
5  B3R0.2  [13CH3][13C](=O)O 41419 [1,0,0,0,0,0|2,0,1]=4
6  B3R0.2  [13CH3][13C](=O)[O-] 41460 [1,0,0,0,0,0|2,0,1]=4