0  B7R0.7  CCCC(C)NCC 4090739 [0,0,0,0,0,0|2,0,0]=2
1  B6R0.1  CCOC(C)CN 4089019 [1,0,0,0,0,0|1,0,0]=2
2  B6R0.1  CNCC(C)OC 4089097 [1,0,0,0,0,0|2,0,0]=3
3  B6R0.6  CCOCCNC 4089681 [1,0,0,0,0,0|2,0,0]=3
4  B8R1.8  CCNC1CCCC1 4088683 [0,0,0,1,0,0|2,0,0]=3
5  B8R1.8  CCOC1CCNC1 4089420 [0,0,0,1,0,0|2,0,0]=3
6  B8R1.8  CNCC1CCCC1 4089391 [0,0,0,1,0,0|3,0,0]=4
7  B8R1.8  OCCC1CCCO1 4016666 [0,0,0,1,0,0|2,0,0]=3
8  B8R1.11  CC[C@H]1CCC[C@H]1N 4015651 [0,0,0,1,0,0|3,0,0]=4
9  B8R1.22  CC1CNCCCO1 4041125 [0,0,0,1,0,0|2,0,0]=3
10  B5R0.3  CCC(C)NC 4039876 [2,0,0,0,0,0|1,0,0]=3
11  B5R0.3  CCC(C)NC 4089297 [2,0,0,0,0,0|1,0,0]=3
12  B5R0.3  COC(C)CN 4089925 [2,0,0,0,0,0|1,0,0]=3
13  B5R0.3  CO[C@@H](C)C#N 4030194 [2,0,0,0,0,0|1,0,1]=4
14  B5R0.3  CO[C@@H](C)CO 4031352 [2,0,0,0,0,0|1,0,0]=3
15  B7R0.3  CCCOC(C)CN 4089733 [1,1,0,0,0,0|1,0,0]=3
16  B7R0.3  CCN(C)CCNC 4027628 [1,1,0,0,0,0|2,0,0]=4
17  B7R1.1  COC1CCNC1 4089940 [1,0,0,1,0,0|2,0,0]=4
18  B7R1.1  CO[C@@H]1CCNC1 4098907 [1,0,0,1,0,0|2,0,0]=4
19  B7R1.1  CO[C@H]1CCNC1 4093842 [1,0,0,1,0,0|2,0,0]=4
20  B7R1.3  CC1CNCCO1 4090031 [1,0,0,1,0,0|1,0,0]=3
21  B7R1.3  CC1COCCN1 4037925 [1,0,0,1,0,0|2,0,0]=4
22  B7R1.3  C[C@@H]1CNCCO1 4037141 [1,0,0,1,0,0|1,0,0]=3
23  B7R1.4  C[C@@H]1CNC[C@@H]1C 4034805 [1,0,0,1,0,0|2,0,0]=4
24  B7R1.4  C[C@@H]1CNC[C@H]1C 4034801 [1,0,0,1,0,0|2,0,0]=4
25  B7R1.6  CNCC1CCC1 4089393 [1,0,0,1,0,0|2,0,0]=4
26  B7R1.10  COC1CC(N)C1 4035443 [1,0,0,1,0,0|2,0,0]=4
27  B7R1.10  CO[C@H]1C[C@@H](N)C1 4048109 [1,0,0,1,0,0|2,0,0]=4
28  B7R1.10  CO[C@H]1C[C@@H](O)C1 4069248 [1,0,0,1,0,0|2,0,0]=4
29  B7R1.21  CCCC1(N)CC1 4090398 [1,0,0,1,0,0|2,0,0]=4
30  B7R1.24  C1CNCCOC1 4036691 [1,0,0,1,0,0|2,0,0]=4
31  B7R1.24  C1CNCCOC1 4088544 [1,0,0,1,0,0|2,0,0]=4
32  B9R1.2  CN1CCOC(CN)C1 4087908 [0,1,0,1,0,0|2,0,0]=4
33  B9R1.2  C[C@@H]1CNC[C@@H](CO)O1 4042486 [0,1,0,1,0,0|2,0,0]=4
34  B9R1.2  C[C@H]1CNC[C@@H](CO)O1 4042449 [0,1,0,1,0,0|2,0,0]=4
35  B9R1.8  CCNC1CCOCC1 4032839 [0,1,0,1,0,0|2,0,0]=4
36  B9R1.8  CNCC1COCCO1 4087968 [0,1,0,1,0,0|2,0,0]=4
37  B9R1.8  NCCC1COCCO1 4016659 [0,1,0,1,0,0|2,0,0]=4
38  B9R1.12  CCCNC1CCCC1 4088182 [0,1,0,1,0,0|2,0,0]=4
39  B9R1.33  CCO[C@H]1COC[C@@H]1N 4089819 [0,1,0,1,0,0|2,0,0]=4
40  B9R1.14  CCN1CCC[C@H]1CCl 4035333 [0,1,0,1,0,0|2,0,0]=4
41  B9R1.89  CNC1CCCCCC1 4089903 [0,1,0,1,0,0|2,0,0]=4
42  B9R1.148  CC1(N)CCCCCC1 4089106 [0,1,0,1,0,0|2,0,0]=4
43  B9R2.39  N[C@@H]1C[C@@H]2CC[C@H]1O2 4053703 [0,0,0,2,0,0|2,0,0]=4
44  B9R2.39  N[C@H]1C[C@@H]2CC[C@H]1O2 4066639 [0,0,0,2,0,0|2,0,0]=4
45  B9R2.7  N[C@H]1C[C@H]2OCC[C@@H]12 4064960 [0,0,0,2,0,0|2,0,0]=4