0  B4R0.3  CS(=O)(N)=O      AK101074 [0,0,0,0,0,0|2,0,0]=2
1  B4R0.3  O=S(N)(N)=O      AK-90807 [0,0,0,0,0,0|2,0,0]=2
2  B4R0.3  O=[Os]([O-])([O-])=O      AK109281 [0,0,0,0,0,0|1,0,2]=3
3  B4R0.3  O=[S+](C)(C)C      AK128826 [0,0,0,0,0,0|3,0,1]=4
4  B4R0.3  O=[S+](C)(C)C      AK163211 [0,0,0,0,0,0|3,0,1]=4
5  B4R0.3  O=[W]([O-])([O-])=O      AK550046 [0,0,0,0,0,0|1,0,2]=3
6  B3R0.2  CB(O)O      AK-47269 [1,0,0,0,0,0|2,0,0]=3
7  B3R0.2  CC(N)=O      AK-97258 [1,0,0,0,0,0|3,0,0]=4
8  B3R0.2  CC(O)=O      AK-76644 [1,0,0,0,0,0|2,0,0]=3
9  B3R0.2  CC(O)=O      AK111414 [1,0,0,0,0,0|2,0,0]=3
10  B3R0.2  CC([O-])=O      AK-98692 [1,0,0,0,0,0|2,0,1]=4
11  B3R0.2  [O-]C([O-])=O      AK106969 [1,0,0,0,0,0|1,0,2]=4
12  B5R0.4  C([S](=O)(=O)N)C      AK-46734 [0,1,0,0,0,0|2,0,0]=3
13  B5R0.4  CC(O)(C)CO      AK112021 [0,1,0,0,0,0|3,0,0]=4
14  B5R0.4  CS(=O)(OC)=O      AK114353 [0,1,0,0,0,0|1,0,0]=2
15  B5R0.4  C[S](=O)(=O)NC      AK-44250 [0,1,0,0,0,0|2,0,0]=3
16  B5R0.4  NCP(O)(O)=O      AK384725 [0,1,0,0,0,0|2,0,0]=3
17  B2R0.1  ONC      AK-90069 [2,0,0,0,0,0|2,0,0]=4
18  B2R0.1  [Pt](=O)=O      AK109565 [2,0,0,0,0,0|1,0,0]=3
19  B4R0.1  CCB(O)O      AK-25979 [1,1,0,0,0,0|2,0,0]=4
20  B4R0.1  C[C@@H](O)CO      AK158454 [1,1,0,0,0,0|2,0,0]=4
21  B4R0.1  C[C@H](O)CO      AK111153 [1,1,0,0,0,0|2,0,0]=4
22  B4R0.1  O=C(N)NO      AK128930 [1,1,0,0,0,0|2,0,0]=4
23  B4R0.1  O=C(O)CN      AK-77854 [1,1,0,0,0,0|2,0,0]=4
24  B6R0.5  BrCCP(O)(O)=O      AK113299 [0,2,0,0,0,0|2,0,0]=4
25  B6R0.5  CCCS(=O)(N)=O      AK113525 [0,2,0,0,0,0|2,0,0]=4
26  B6R0.5  CS(=O)(OCC)=O      AK544582 [0,2,0,0,0,0|1,0,0]=3
27  B6R0.5  NCCP(O)(O)=O      AK113300 [0,2,0,0,0,0|2,0,0]=4
28  B6R0.5  NCCS(=O)(N)=O      AK145430 [0,2,0,0,0,0|2,0,0]=4
29  B6R0.5  NCC[S](=O)(=O)C      AK-39784 [0,2,0,0,0,0|2,0,0]=4
30  B6R0.7  CC(S(=O)(N)=O)C      AK108357 [0,2,0,0,0,0|2,0,0]=4
31  B6R0.7  CN([S](=O)(=O)N)C      AK-49758 [0,2,0,0,0,0|2,0,0]=4
32  B6R0.8  CCS(=O)(OC)=O      AK544583 [0,2,0,0,0,0|1,0,0]=3