0  B8R0.5  CC(C)NC(=O)CCBr A2Z00098002 [0,0,0,0,0,0|4,0,0]=4
1  B8R0.5  CCOC(=O)CC(=S)N A2Z00094776 [0,0,0,0,0,0|1,1,1]=3
2  B8R0.5  CCOC(=O)C[N+](=O)[O-] A2Z00096065 [0,0,0,0,0,0|2,0,1]=3
3  B7R0.2  CC(=O)CC(=O)OC A2Z00093511 [1,0,0,0,0,0|0,0,2]=3
4  B7R0.2  CC(C)NC(=O)CCl A2Z00099276 [1,0,0,0,0,0|3,0,0]=4
5  B7R0.2  COC(=O)CC(=O)Cl A2Z00050191 [1,0,0,0,0,0|1,0,2]=4
6  B7R0.7  CCNC(=O)CC#N A2Z00038682 [1,0,0,0,0,0|2,0,1]=4
7  B7R0.7  CCNC(=O)OCC A2Z00095021 [1,0,0,0,0,0|1,0,0]=2
8  B7R0.7  CCOC(=N)CC#N A2Z00049592 [1,0,0,0,0,0|2,0,1]=4
9  B7R0.7  CCOC(=O)C[N+]#[C-] A2Z00096279 [1,0,0,0,0,0|1,0,1]=3
10  B9R0.34  CCOC(=O)CC(=O)CCl A2Z00093563 [0,1,0,0,0,0|0,0,2]=3
11  B9R0.34  CCOC(=O)CC(CCl)O A2Z00096161 [0,1,0,0,0,0|0,0,0]=1
12  B7R0.5  CCOC(=O)C(=S)N A2Z00085493 [0,0,0,0,1,0|1,1,1]=4
13  B7R0.5  CCOC(=O)C(C)Br A2Z00093565 [0,0,0,0,1,0|1,0,0]=2
14  B6R0.1  CCN(C)CCO A2Z00049387 [2,0,0,0,0,0|2,0,0]=4
15  B6R0.1  CCOC(=O)C#N A2Z00096059 [2,0,0,0,0,0|1,0,1]=4
16  B6R0.1  CCOC(=O)CBr A2Z00093566 [2,0,0,0,0,0|1,0,0]=3
17  B6R0.1  CCOC(=O)NN A2Z00096080 [2,0,0,0,0,0|2,0,0]=4
18  B6R0.1  COC(=O)CCS A2Z00096087 [2,0,0,0,0,0|0,1,0]=3
19  B6R0.1  COC(=O)C[N+]#[C-] A2Z00096250 [2,0,0,0,0,0|1,0,1]=4
20  B6R0.2  C(C(=O)O)C(=O)O A2Z00038640 [2,0,0,0,0,0|1,0,1]=4
21  B6R0.6  CCCCCCO A2Z00093499 [2,0,0,0,0,0|1,0,1]=4
22  B8R0.19  CCC(CC(=O)OC)N A2Z00050344 [1,1,0,0,0,0|1,0,0]=3
23  B8R0.19  COC(=O)CC(CN)N A2Z00050464 [1,1,0,0,0,0|1,0,0]=3
24  B8R0.23  CC(C)OC(=O)C(C)Br A2Z00038719 [1,1,0,0,0,0|2,0,0]=4
25  B8R0.1  CCOC(=O)CCC#N A2Z00095965 [1,1,0,0,0,0|0,0,1]=3
26  B8R0.1  CCOC(=O)CCCBr A2Z00093577 [1,1,0,0,0,0|0,0,0]=2
27  B8R0.1  CCOC(=O)CN=[N+]=[N-] A2Z00096064 [1,1,0,0,0,0|2,0,0]=4
28  B8R0.3  CCOC(=O)C(C)CCl A2Z00095050 [1,1,0,0,0,0|1,0,0]=3
29  B8R0.14  CCOC(=O)C(C)(C)Br A2Z00093578 [0,1,0,0,1,0|1,0,0]=3
30  B10R0.6  CC(=O)CC(=O)OCCOC A2Z00093557 [0,2,0,0,0,0|0,0,2]=4
31  B10R0.36  CCOC(=O)C(C)(C)C(=O)C A2Z00094632 [0,2,0,0,0,0|0,0,2]=4
32  B10R0.2  CCOC(=O)CC(CC#N)O A2Z00096709 [0,2,0,0,0,0|0,0,0]=2
33  B10R0.31  CC(=O)CC(=O)OC(C)(C)C A2Z00096112 [0,2,0,0,0,0|0,0,2]=4
34  B10R0.31  CC(C)NC(=O)OC(C)(C)C A2Z00070370 [0,2,0,0,0,0|2,0,0]=4
35  B8R1.4  CC1CCCC(C1)O A2Z00093510 [1,0,0,1,0,0|1,0,1]=4
36  B8R1.51  CC1(CC(=O)OC1)C A2Z00096652 [1,0,0,1,0,0|1,0,0]=3
37  B8R1.51  CC1(CCC(=O)C1)C A2Z00096352 [1,0,0,1,0,0|1,0,0]=3
38  B8R1.8  C1COC(O1)CCO A2Z00096391 [1,0,0,1,0,0|0,0,2]=4
39  B8R1.5  CC1CCCCC1=O A2Z00038642 [0,0,0,1,1,0|2,0,0]=4
40  B6R0.3  CC(C(=O)NC)N A2Z00049855 [1,0,0,0,1,0|2,0,0]=4
41  B6R0.3  CC(C)C(=O)CO A2Z00049695 [1,0,0,0,1,0|2,0,0]=4