0  B7R0.3  CCC(=O)NCCN 4110359 [1,0,0,0,0,0|3,0,0]=4
1  B7R0.3  CNC(=O)CCCN 4030090 [1,0,0,0,0,0|2,0,1]=4
2  B7R0.3  CNCCC(=O)NC 4030744 [1,0,0,0,0,0|2,0,1]=4
3  B7R0.4  CC(=O)NCCCO 4032317 [1,0,0,0,0,0|2,0,1]=4
4  B7R0.4  CCCOCC(=O)O 4020861 [1,0,0,0,0,0|1,0,1]=3
5  B7R0.4  CCCSCC(=O)O 4028731 [1,0,0,0,0,0|1,0,1]=3
6  B7R0.4  CCSCCC(=O)O 4028457 [1,0,0,0,0,0|1,0,2]=4
7  B9R0.5  CCCCNC(=O)CNC 4025910 [0,1,0,0,0,0|2,0,1]=4
8  B9R1.3  C[C@@H]1CNCC(=O)N1C 4067271 [0,0,0,1,0,0|2,0,1]=4
9  B9R1.3  C[C@H]1CNCC(=O)N1C 4051612 [0,0,0,1,0,0|2,0,1]=4
10  B9R1.7  CNCC1=NOC(C)=C1 4003549 [0,0,0,1,0,0|3,0,0]=4
11  B9R1.11  CCC(=O)C1CCCC1 4026118 [0,0,0,1,0,0|1,0,2]=4
12  B9R1.11  CNC(=O)[C@@H]1CCCN1 4045592 [0,0,0,1,0,0|2,0,1]=4
13  B9R1.11  CNC(=O)[C@H]1CCCN1 4084126 [0,0,0,1,0,0|2,0,1]=4
14  B9R1.11  COC(=O)C1=NNC=C1 4027720 [0,0,0,1,0,0|2,0,1]=4
15  B9R1.49  CC1CCNC(=O)CC1 4041565 [0,0,0,1,0,0|2,0,1]=4
16  B6R0.1  CCCC(=O)NN 3002586 [2,0,0,0,0,0|2,0,0]=4
17  B6R0.1  CNC(=O)CCCl 4027989 [2,0,0,0,0,0|2,0,0]=4
18  B6R0.1  CNC(=O)CCO 4035059 [2,0,0,0,0,0|2,0,0]=4
19  B6R0.1  CNCC(=O)NC 4033340 [2,0,0,0,0,0|2,0,0]=4
20  B6R0.1  COC(=O)CCO 4041011 [2,0,0,0,0,0|1,0,0]=3
21  B6R0.4  CNCCC(=O)O 4036102 [2,0,0,0,0,0|1,0,1]=4
22  B6R0.4  COCCC(C)=O 4022132 [2,0,0,0,0,0|1,0,1]=4
23  B8R0.3  CCCC(N)C(=O)NC 4042706 [1,1,0,0,0,0|1,0,1]=4
24  B8R0.3  CCC[C@@H](N)C(=O)OC 4107426 [1,1,0,0,0,0|0,0,1]=3
25  B8R0.3  CCOC(=O)C(=O)CC 4013605 [1,1,0,0,0,0|2,0,0]=4
26  B8R0.3  COC(=O)[C@@H](N)CSC 4029499 [1,1,0,0,0,0|1,0,1]=4
27  B8R0.8  CCCNC(=O)C(C)Cl 4027198 [1,1,0,0,0,0|2,0,0]=4
28  B8R0.5  CCCS(=O)CC(=O)O 4027354 [1,1,0,0,0,0|1,0,1]=4
29  B8R0.5  COCC(=O)CC(C)=O 4036230 [1,1,0,0,0,0|1,0,1]=4
30  B10R0.2  CCCC(N)CC(=O)OCC 4012463 [0,2,0,0,0,0|0,0,2]=4
31  B8R1.1  CCC1COC(=O)N1 4044759 [1,0,0,1,0,0|1,0,0]=3
32  B8R1.7  CC(=O)C1CCCC1 4031395 [1,0,0,1,0,0|0,0,2]=4
33  B8R1.7  CC(=O)C1CCCO1 4075977 [1,0,0,1,0,0|1,0,1]=4
34  B8R1.7  O=C(O)C1CCCS1 4045536 [1,0,0,1,0,0|1,0,1]=4
35  B8R1.34  O=C(O)CC1CCC1 4028895 [1,0,0,1,0,0|0,0,2]=4
36  B8R1.35  O=C(O)C#CC1CC1 5118948 [1,0,0,1,0,0|0,0,2]=4
37  B10R1.96  CCCC1=NOC(CN)=C1 4015116 [0,1,0,1,0,0|2,0,0]=4
38  B10R1.96  CCCC1=NOC(CN)=C1 4088310 [0,1,0,1,0,0|2,0,0]=4
39  B10R1.138  CCOC(=O)\C=C\C1CC1 4069949 [0,1,0,1,0,0|0,0,0]=2
40  B10R1.15  COC(=O)C1CNCCO1 4036481 [0,1,0,1,0,0|1,0,1]=4
41  B10R1.411  COC(=O)[C@]1(C)CCCN1 4042288 [0,1,0,1,0,0|1,0,1]=4
42  B10R1.27  COC(=O)CC1CCNC1 4042082 [0,1,0,1,0,0|0,0,2]=4
43  B10R1.149  COC(=O)C1=C(C)NC=N1 4108201 [0,1,0,1,0,0|1,0,1]=4