0  B3R0.2  CC(C)Br SBB060452 [0,0,0,0,0,0|4,0,0]=4
1  B3R0.2  FC(F)I SBB089343 [0,0,0,0,0,0|4,0,0]=4
2  B3R0.2  N=C(N)N SBB065761 [0,0,0,0,0,0|4,0,0]=4
3  B3R0.2  NC(N)=O SBB008449 [0,0,0,0,0,0|3,0,0]=3
4  B2R0.1  CCBr SBB040912 [1,0,0,0,0,0|3,0,0]=4
5  B2R0.1  N#CBr SBB061206 [1,0,0,0,0,0|3,0,0]=4
6  B2R0.1  ONC SBB005850 [1,0,0,0,0,0|1,0,1]=3
7  B4R0.1  COC(=N)N SBB067236 [0,1,0,0,0,0|3,0,0]=4
8  B4R0.1  NCC(=O)O SBB071447 [0,1,0,0,0,0|2,0,0]=3
9  B4R0.1  NCC(=O)[O-] SBB116671 [0,1,0,0,0,0|2,0,0]=3
10  B4R0.1  O=C(Br)CBr SBB040828 [0,1,0,0,0,0|3,0,0]=4
11  B4R0.1  O=C(Cl)CBr SBB051682 [0,1,0,0,0,0|3,0,0]=4
12  B4R0.1  O=C(Cl)CCl SBB040859 [0,1,0,0,0,0|3,0,0]=4
13  B4R0.1  O=C(O)CBr SBB053569 [0,1,0,0,0,0|2,0,0]=3
14  B4R0.1  OCC(F)F SBB021966 [0,1,0,0,0,0|3,0,0]=4
15  B4R0.1  [NH3+]NC(N)=O SBB060865 [0,1,0,0,0,0|3,0,0]=4
16  B4R0.3  NS(N)(=O)=O SBB049643 [0,1,0,0,0,0|2,0,1]=4
17  B4R0.3  O=S(=O)(O)O SBB066031 [0,1,0,0,0,0|1,0,1]=3
18  B3R0.1  OCCBr SBB058668 [1,1,0,0,0,0|2,0,0]=4
19  B5R0.1  C#CCC(=O)O SBB116169 [0,2,0,0,0,0|2,0,0]=4
20  B5R0.1  CCOC(=O)Cl SBB040861 [0,2,0,0,0,0|2,0,0]=4
21  B5R0.1  COCC(=O)O SBB061376 [0,2,0,0,0,0|1,0,1]=4
22  B5R0.1  CSCC(=O)O SBB053570 [0,2,0,0,0,0|1,1,0]=4
23  B5R0.1  O=C(O)CCBr SBB065770 [0,2,0,0,0,0|2,0,0]=4
24  B5R0.1  O=C(O)CCCl SBB069140 [0,2,0,0,0,0|2,0,0]=4
25  B5R0.3  C#CC(=O)OC SBB049642 [0,2,0,0,0,0|2,0,0]=4
26  B5R0.3  COC(=O)CBr SBB056823 [0,2,0,0,0,0|2,0,0]=4
27  B5R0.3  COC(=O)CCl SBB040686 [0,2,0,0,0,0|2,0,0]=4
28  B5R0.3  COC(=O)NN SBB061728 [0,2,0,0,0,0|2,0,0]=4
29  B5R0.3  NNC(=O)CO SBB111858 [0,2,0,0,0,0|2,0,0]=4
30  B5R0.3  P(=O)(OC)OC SBB060964 [0,2,0,0,0,0|0,1,1]=4
31  B5R0.4  COS(C)(=O)=O SBB058203 [0,2,0,0,0,0|1,0,1]=4
32  B5R0.5  CC(Br)C(=O)O SBB060286 [0,2,0,0,0,0|2,0,0]=4
33  B5R0.5  CC(O)C(=O)O SBB065762 [0,2,0,0,0,0|1,0,1]=4
34  B5R0.5  CN(C)C(=O)[O-] SBB059132 [0,2,0,0,0,0|2,0,0]=4