0  B4R0.3  CP(C)(C)=O F20530 [0,0,0,0,0,0|3,0,0]=3
1  B4R0.3  CS(=O)(=O)[O-] D91356 [0,0,0,0,0,0|2,0,2]=4
2  B4R0.3  CS(C)(=N)=O W15490 [0,0,0,0,0,0|4,0,0]=4
3  B4R0.3  C[Si](C)(C)O 29085 [0,0,0,0,0,0|4,0,0]=4
4  B4R0.3  O=S(=O)([O-])[O-] AC2541 [0,0,0,0,0,0|1,0,3]=4
5  B4R0.3  O=S(=O)([O-])[O-] AC2638 [0,0,0,0,0,0|1,0,3]=4
6  B3R0.2  CC(=O)[O-] AC2626 [1,0,0,0,0,0|2,0,1]=4
7  B3R0.2  CC(=O)[O-] D70195 [1,0,0,0,0,0|2,0,1]=4
8  B3R0.2  CC(=O)[O-] I11566 [1,0,0,0,0,0|2,0,1]=4
9  B3R0.2  C[13C](=O)O 41422 [1,0,0,0,0,0|2,0,0]=3
10  B3R0.2  O=C([O-])[O-] AC2639 [1,0,0,0,0,0|1,0,2]=4
11  B3R0.2  O=C([O-])[O-] AC7869 [1,0,0,0,0,0|1,0,2]=4
12  B3R0.2  O=C([O-])[O-] F20746 [1,0,0,0,0,0|1,0,2]=4
13  B3R0.2  [13CH3]C(=O)O 41421 [1,0,0,0,0,0|2,0,0]=3
14  B3R0.2  [15NH2]C([15NH2])=O 41394 [1,0,0,0,0,0|3,0,0]=4
15  B3R0.2  [15NH2][13C]([15NH2])=O 41395 [1,0,0,0,0,0|3,0,0]=4
16  B5R0.4  C=CS(=O)(=O)O T71619 [0,1,0,0,0,0|2,0,1]=4
17  B5R0.4  COS(=O)(=O)Cl I11450 [0,1,0,0,0,0|2,0,1]=4
18  B5R0.4  CO[P@@](C)(=O)Cl D95174 [0,1,0,0,0,0|2,0,0]=3
19  B5R0.4  O=S(=O)(O)O[O-] D78337 [0,1,0,0,0,0|1,0,1]=3
20  B4R0.1  NCC(=O)O A10882 [1,1,0,0,0,0|2,0,0]=4
21  B4R0.1  NCC(=O)O T72551 [1,1,0,0,0,0|2,0,0]=4
22  B6R0.5  CCCP(=O)(O)O C15829 [0,2,0,0,0,0|1,0,0]=3
23  B6R0.5  O=P(O)(O)CCBr S12083 [0,2,0,0,0,0|1,0,0]=3
24  B6R0.5  O=P(O)(O)CCO D97366 [0,2,0,0,0,0|0,0,0]=2
25  B6R0.8  CC(O)(CO)CO AC1642 [0,2,0,0,0,0|2,0,0]=4