0  B3R0.2  C[13C](=O)[O-] 41466 [0,0,0,0,0,0|1,0,1]=2
1  B3R0.2  O=[13C]([O-])[O-] 41464 [0,0,0,0,0,0|0,0,2]=2
2  B3R0.2  O=[15N+]([O-])[O-] 41463 [0,0,0,0,0,0|1,0,2]=3
3  B3R0.2  O=[15N+]([O-])[O-] 41467 [0,0,0,0,0,0|1,0,2]=3
4  B3R0.2  O=[N+]([O-])[O-] 41450 [0,0,0,0,0,0|1,0,2]=3
5  B3R0.2  [13CH3]C(=O)[O-] 41465 [0,0,0,0,0,0|1,0,1]=2
6  B3R0.2  [13CH3][13C](=O)O 41419 [0,0,0,0,0,0|1,0,0]=1
7  B3R0.2  [13CH3][13C](=O)[O-] 41460 [0,0,0,0,0,0|1,0,1]=2
8  B2R0.1  O=[15N][O-] 41469 [1,0,0,0,0,0|1,0,1]=3
9  B2R0.1  [13CH3][13CH2]O 41411 [1,0,0,0,0,0|1,0,1]=3
10  B4R0.1  CN(N)C=O D74578 [0,1,0,0,0,0|3,0,0]=4
11  B4R0.1  NC(=S)CO D75093 [0,1,0,0,0,0|1,1,0]=3
12  B4R0.1  O=S([O-])CF AT25043 [0,1,0,0,0,0|2,0,1]=4
13  B4R0.1  [2H][C@@H](C)CO D98056 [0,1,0,0,0,0|2,0,1]=4
14  B4R0.3  O=P(O)(O)O 41446 [0,1,0,0,0,0|1,0,0]=2
15  B4R0.3  O=P(O)(O)O 41451 [0,1,0,0,0,0|1,0,0]=2
16  B1R0.1  [13CH]#[13CH] 41442 [2,0,0,0,0,0|1,0,1]=4
17  B1R0.1  [15NH2]O 41459 [2,0,0,0,0,0|1,0,0]=3
18  B1R0.1  [15NH2][15NH2] 41393 [2,0,0,0,0,0|2,0,0]=4
19  B3R0.1  [2H]CCO D98012 [1,1,0,0,0,0|1,0,1]=4
20  B5R0.1  COCC(=N)N D87837 [0,2,0,0,0,0|2,0,0]=4
21  B5R0.3  O=C(CO)CBr AC6051 [0,2,0,0,0,0|1,0,0]=3
22  B5R0.3  OC[C@H](O)CF AT22386 [0,2,0,0,0,0|1,0,1]=4
23  B5R0.5  CC(=O)[C@H](C)N 91521 [0,2,0,0,0,0|2,0,0]=4
24  B5R0.5  [13CH3][13C@H]([15NH2])[13C](=O)O D98095 [0,2,0,0,0,0|1,0,0]=3