0  B5R0.4  CCS(=O)(=O)Cl SBB061401 [0,0,0,0,0,0|2,0,0]=2
1  B5R0.4  COS(C)(=O)=O SBB058203 [0,0,0,0,0,0|1,0,0]=1
2  B5R0.4  O=S(=O)(Cl)CCl SBB066601 [0,0,0,0,0,0|3,0,0]=3
3  B4R0.1  COC(=N)N SBB067236 [1,0,0,0,0,0|3,0,0]=4
4  B4R0.1  NCC(=O)O SBB071447 [1,0,0,0,0,0|3,0,0]=4
5  B4R0.1  O=C(O)CBr SBB053569 [1,0,0,0,0,0|3,0,0]=4
6  B4R0.3  NS(N)(=O)=O SBB049643 [1,0,0,0,0,0|2,0,0]=3
7  B4R0.3  O=S(=O)(O)O SBB066031 [1,0,0,0,0,0|0,0,0]=1
8  B6R0.5  CCCS(=O)(=O)Cl SBB048026 [0,1,0,0,0,0|2,0,0]=3
9  B6R0.5  CCOS(C)(=O)=O SBB058685 [0,1,0,0,0,0|1,0,0]=2
10  B6R0.5  CS(=O)(=O)CC#N SBB056473 [0,1,0,0,0,0|2,0,1]=4
11  B6R0.5  CS(=O)(=O)CCN SBB047603 [0,1,0,0,0,0|2,0,0]=3
12  B6R0.5  NCCS(N)(=O)=O SBB014994 [0,1,0,0,0,0|2,0,0]=3
13  B6R0.5  NCCS(N)(=O)=O SBB070085 [0,1,0,0,0,0|2,0,0]=3
14  B6R0.5  O=S(=O)(Cl)CCCl SBB048025 [0,1,0,0,0,0|2,0,0]=3
15  B6R0.5  [NH3+]CCS(=O)(=O)[O-] SBB061255 [0,1,0,0,0,0|1,0,1]=3
16  B6R0.7  CN(C)S(C)(=O)=O SBB007962 [0,1,0,0,0,0|2,0,0]=3
17  B5R0.1  CCOC(=O)Cl SBB040861 [1,1,0,0,0,0|2,0,0]=4
18  B5R0.1  COCC(=O)O SBB061376 [1,1,0,0,0,0|1,0,0]=3
19  B5R0.1  CSCC(=O)O SBB053570 [1,1,0,0,0,0|1,1,0]=4
20  B5R0.1  O=C(O)CCBr SBB065770 [1,1,0,0,0,0|2,0,0]=4
21  B5R0.1  O=C(O)CCCl SBB069140 [1,1,0,0,0,0|2,0,0]=4
22  B5R0.3  C#CC(=O)OC SBB049642 [1,1,0,0,0,0|2,0,0]=4
23  B5R0.3  COC(=O)CBr SBB056823 [1,1,0,0,0,0|2,0,0]=4
24  B5R0.3  COC(=O)CCl SBB040686 [1,1,0,0,0,0|2,0,0]=4
25  B5R0.3  COC(=O)NN SBB061728 [1,1,0,0,0,0|2,0,0]=4
26  B5R0.3  P(=O)(OC)OC SBB060964 [1,1,0,0,0,0|1,0,0]=3
27  B5R0.5  CC(Br)C(=O)O SBB060286 [1,1,0,0,0,0|2,0,0]=4
28  B5R0.5  CC(O)C(=O)O SBB065762 [1,1,0,0,0,0|2,0,0]=4
29  B7R0.8  CCCCS(=O)(=O)Cl SBB061680 [0,2,0,0,0,0|2,0,0]=4
30  B7R0.8  CNCCS(=O)(=O)O SBB072665 [0,2,0,0,0,0|1,0,0]=3
31  B7R0.8  O=S(=O)(Cl)CCCCl SBB016760 [0,2,0,0,0,0|2,0,0]=4
32  B7R0.8  [NH3+]CCCS(C)(=O)=O SBB088827 [0,2,0,0,0,0|2,0,0]=4
33  B7R0.11  CCS(=O)(=O)CCCl SBB019269 [0,2,0,0,0,0|2,0,0]=4
34  B7R0.11  CCS(=O)(=O)CCO SBB008148 [0,2,0,0,0,0|1,0,0]=3
35  B7R0.11  CNS(=O)(=O)CCN SBB014589 [0,2,0,0,0,0|2,0,0]=4
36  B7R0.13  CCS(=O)(=O)N(C)C SBB007946 [0,2,0,0,0,0|2,0,0]=4
37  B7R0.17  O=S(=O)(O)C(F)(F)F SBB086683 [0,2,0,0,0,0|2,0,0]=4
38  B7R0.18  COP(=O)(OC)OC SBB060441 [0,2,0,0,0,0|1,0,1]=4
39  B7R1.14  O=S1(=O)C=CCC1 SBB014528 [0,1,0,1,0,0|2,0,0]=4
40  B7R1.14  O=S1(=O)CCCC1 SBB057389 [0,1,0,1,0,0|2,0,0]=4
41  B7R1.26  NS(=O)(=O)C1CC1 SBB069786 [0,1,0,1,0,0|2,0,0]=4
42  B7R1.26  O=S(=O)(Cl)C1CC1 SBB066113 [0,1,0,1,0,0|2,0,0]=4