0  B3R0.2  C[13C](=O)[O-] 41466 [0,0,0,0,0,0|2,0,0]=2
1  B3R0.2  O=[13C]([O-])[O-] 41464 [0,0,0,0,0,0|2,0,0]=2
2  B3R0.2  O=[15N+]([O-])[O-] 41463 [0,0,0,0,0,0|3,0,0]=3
3  B3R0.2  O=[15N+]([O-])[O-] 41467 [0,0,0,0,0,0|3,0,0]=3
4  B3R0.2  O=[N+]([O-])[O-] 41450 [0,0,0,0,0,0|3,0,0]=3
5  B3R0.2  [13CH3]C(=O)[O-] 41465 [0,0,0,0,0,0|2,0,0]=2
6  B3R0.2  [13CH3][13C](=O)O 41419 [0,0,0,0,0,0|2,0,0]=2
7  B3R0.2  [13CH3][13C](=O)[O-] 41460 [0,0,0,0,0,0|2,0,0]=2
8  B2R0.1  O=[15N][O-] 41469 [1,0,0,0,0,0|2,0,0]=3
9  B2R0.1  [13CH3][13CH2]O 41411 [1,0,0,0,0,0|1,0,2]=4
10  B4R0.1  C#C[C@H](C)N D86216 [0,1,0,0,0,0|2,0,1]=4
11  B4R0.1  CN(N)C=O D74578 [0,1,0,0,0,0|2,0,0]=3
12  B4R0.1  C[C@H](N)C#N 96734 [0,1,0,0,0,0|1,0,2]=4
13  B4R0.1  NC(=S)CO D75093 [0,1,0,0,0,0|1,0,1]=3
14  B4R0.1  O=S([O-])CF AT25043 [0,1,0,0,0,0|3,0,0]=4
15  B4R0.3  O=P(O)(O)O 41446 [0,1,0,0,0,0|3,0,0]=4
16  B4R0.3  O=P(O)(O)O 41451 [0,1,0,0,0,0|3,0,0]=4
17  B1R0.1  [13CH]#[13CH] 41442 [2,0,0,0,0,0|1,0,1]=4
18  B1R0.1  [15NH2]O 41459 [2,0,0,0,0,0|0,0,1]=3
19  B1R0.1  [15NH2][15NH2] 41393 [2,0,0,0,0,0|0,0,0]=2
20  B3R0.1  N[13CH2][13CH2]N D98346 [1,1,0,0,0,0|0,0,1]=3
21  B5R0.1  COCC(=N)N D87837 [0,2,0,0,0,0|0,0,2]=4
22  B5R0.1  C[S@](=O)CCN AT24515 [0,2,0,0,0,0|2,0,0]=4
23  B5R0.3  NC[C@H](N)CO D75091 [0,2,0,0,0,0|0,0,2]=4
24  B5R0.3  NC[C@H](N)CO D75092 [0,2,0,0,0,0|0,0,2]=4
25  B5R0.3  O=C(CO)CBr AC6051 [0,2,0,0,0,0|2,0,0]=4
26  B5R0.5  CC(=O)[C@H](C)N 91521 [0,2,0,0,0,0|1,0,0]=3
27  B5R0.5  N=C(N)C(F)F AT24498 [0,2,0,0,0,0|1,0,1]=4
28  B5R0.5  [13CH3][13C@H]([15NH2])[13C](=O)O D98095 [0,2,0,0,0,0|1,0,0]=3
29  B5R1.4  NC1CC1N AC7084 [0,1,0,1,0,0|1,0,1]=4
30  B5R1.4  N[C@H]1C[C@@H]1N AC9805 [0,1,0,1,0,0|1,0,1]=4
31  B5R1.4  N[C@H]1C[C@H]1N AT11451 [0,1,0,1,0,0|1,0,1]=4