0  B6R0.3  CC(C(=O)NC)N A2Z00049855 [0,0,0,0,0,0|2,0,1]=3
1  B6R0.3  CC(C)C(=O)CO A2Z00049695 [0,0,0,0,0,0|2,0,2]=4
2  B6R0.3  COC(=O)C(=N)N A2Z00096235 [0,0,0,0,0,0|2,0,0]=2
3  B5R0.1  COCC(=O)Cl A2Z00094312 [1,0,0,0,0,0|2,0,1]=4
4  B5R0.3  C(C(=O)C=O)O A2Z00050060 [1,0,0,0,0,0|3,0,0]=4
5  B5R0.3  COC(=O)C#N A2Z00050483 [1,0,0,0,0,0|1,0,1]=3
6  B5R0.3  COC(=O)C=C A2Z00093487 [1,0,0,0,0,0|0,0,0]=1
7  B5R0.3  COC(=O)CI A2Z00098171 [1,0,0,0,0,0|1,0,1]=3
8  B5R0.5  CC(=O)N(C)N A2Z00094878 [1,0,0,0,0,0|2,0,0]=3
9  B5R0.5  CC(C(=O)C)Cl A2Z00093500 [1,0,0,0,0,0|1,0,1]=3
10  B5R0.5  CC(C(=O)N)Cl A2Z00098040 [1,0,0,0,0,0|2,0,1]=4
11  B5R0.5  CN(C)C(=O)Cl A2Z00096010 [1,0,0,0,0,0|2,0,1]=4
12  B7R0.5  CCOC(=O)C(=S)N A2Z00085493 [0,1,0,0,0,0|2,0,0]=3
13  B7R0.5  CCOC(=O)C(C)Br A2Z00093565 [0,1,0,0,0,0|1,0,1]=3
14  B7R0.10  CCC(C(=O)OC)Br A2Z00096125 [0,1,0,0,0,0|1,0,1]=3
15  B7R0.10  CCC(C(=O)OC)N A2Z00098004 [0,1,0,0,0,0|1,0,1]=3
16  B7R0.10  COC(=O)C(CO)N A2Z00085507 [0,1,0,0,0,0|1,0,1]=3
17  B7R0.10  COC(=O)C(CS)N A2Z00096121 [0,1,0,0,0,0|1,0,1]=3
18  B7R0.14  CC(C)(C(=O)OC)N A2Z00050180 [0,1,0,0,0,0|0,0,2]=3
19  B7R0.2  CC(=O)CC(=O)OC A2Z00093511 [0,0,0,0,0,1|1,0,0]=2
20  B7R0.2  COC(=O)CC(=O)Cl A2Z00050191 [0,0,0,0,0,1|2,0,0]=3
21  B4R0.1  CC(=O)CO A2Z00094832 [2,0,0,0,0,0|1,0,1]=4
22  B4R0.1  CCC(=O)N A2Z00097941 [2,0,0,0,0,0|1,0,1]=4
23  B4R0.1  COC(=O)Cl A2Z00093492 [2,0,0,0,0,0|1,0,0]=3
24  B6R0.4  CC(=O)\C=C\OC A2Z00096533 [1,1,0,0,0,0|1,0,0]=3
25  B6R0.8  COS(=O)(=O)OC A2Z00093525 [1,1,0,0,0,0|2,0,0]=4
26  B8R0.5  CCOC(=O)CC(=S)N A2Z00094776 [0,1,0,0,0,1|2,0,0]=4
27  B8R0.19  CCC(CC(=O)OC)N A2Z00050344 [0,1,0,0,0,1|1,0,1]=4
28  B8R0.19  COC(=O)CC(=C)C#N A2Z00049741 [0,1,0,0,0,1|0,0,1]=3
29  B8R0.19  COC(=O)CC(CN)N A2Z00050464 [0,1,0,0,0,1|1,0,1]=4
30  B8R0.3  CCOC(=O)C(C)CCl A2Z00095050 [0,2,0,0,0,0|0,0,2]=4
31  B8R0.14  CCOC(=O)C(C)(C)Br A2Z00093578 [0,2,0,0,0,0|0,0,2]=4
32  B6R1.2  C1CC(=O)C=C1 A2Z00096072 [1,0,0,1,0,0|2,0,0]=4
33  B8R1.4  C1CNC(=O)CC1=O A2Z00096248 [0,0,0,1,0,1|2,0,0]=4
34  B8R1.4  Cc1cc[nH]c(=O)c1 A2Z00069805 [0,0,0,1,0,1|1,0,1]=4
35  B8R1.18  CC1=NN(C(=O)C1)C A2Z00096083 [0,0,0,1,0,1|2,0,0]=4
36  B8R1.51  CC1(CC(=O)OC1)C A2Z00096652 [0,0,0,1,0,1|0,0,2]=4
37  B8R1.5  Cc1ccc[nH]c1=O A2Z00097918 [0,1,0,1,0,0|1,0,1]=4
38  B8R1.11  Cc1c(ocn1)C=O A2Z00096249 [0,1,0,1,0,0|1,0,1]=4
39  B8R1.11  c1c(c(on1)C=O)Cl A2Z00050343 [0,1,0,1,0,0|2,0,0]=4