0  B8R1.1  CCC1CCC(=O)N1 4027451 [1,0,0,0,0,0|1,0,1]=3
1  B8R1.1  NCC1CCC(=O)N1 4111537 [1,0,0,0,0,0|1,0,1]=3
2  B8R1.1  O=C1CCC(CCl)O1 4035082 [1,0,0,0,0,0|2,0,1]=4
3  B10R1.470  CC1(C(=O)O)CCC(=O)O1 4023942 [0,1,0,0,0,0|1,0,0]=2
4  B8R0.23  CC(CN(C)C)C(=O)O 4090277 [0,0,1,0,0,0|3,0,0]=4
5  B8R1.23  O=C(O)C1CC(O)C1 4028966 [0,0,0,0,1,0|1,0,2]=4
6  B8R1.23  O=C(O)[C@H]1C[C@@H](O)C1 4045921 [0,0,0,0,1,0|1,0,2]=4
7  B10R1.13  CN1CCC(C(=O)O)CC1 4088806 [0,0,0,0,0,1|3,0,0]=4
8  B10R1.13  O=C1CNC(C(=O)O)CN1 4049792 [0,0,0,0,0,1|1,0,0]=2
9  B10R1.13  O=C1CN[C@H](C(=O)O)CN1 4043934 [0,0,0,0,0,1|1,0,0]=2
10  B10R1.54  CC1=NN(CC(=O)O)CC1 4089093 [0,0,0,0,0,1|2,0,1]=4
11  B10R1.54  CN1CCC(CC(=O)O)C1 4091051 [0,0,0,0,0,1|3,0,0]=4
12  B10R1.54  O=C(O)CC1CCC(=O)N1 4002524 [0,0,0,0,0,1|0,0,0]=1
13  B10R1.113  CN1CCNC(C(=O)O)C1 4090798 [0,0,0,0,0,1|3,0,0]=4
14  B7R0.3  CCC(=O)NCCN 4028425 [1,0,1,0,0,0|1,0,1]=4
15  B7R0.5  CNCC(C)C(=O)O 4088272 [1,0,1,0,0,0|2,0,0]=4
16  B9R1.7  N#CCC1CCC(=O)N1 4108168 [1,1,0,0,0,0|1,0,1]=4
17  B9R1.7  N#CC[C@@H]1CCC(=O)N1 4046620 [1,1,0,0,0,0|1,0,1]=4
18  B9R1.7  NCCC1CCC(=O)N1 4110733 [1,1,0,0,0,0|1,0,1]=4
19  B9R1.7  O=C1CC[C@@H](CCO)N1 4046046 [1,1,0,0,0,0|0,0,1]=3
20  B9R1.7  O=C1CC[C@H](CCO)N1 4054374 [1,1,0,0,0,0|0,0,1]=3
21  B9R1.132  CN1C(=O)CCC1CN 4088603 [1,1,0,0,0,0|1,0,1]=4
22  B9R1.132  CN1C(=O)CCC1CN 4111538 [1,1,0,0,0,0|1,0,1]=4
23  B9R1.11  CNC(=O)C1CCCN1 4018265 [1,1,0,0,0,0|1,0,1]=4
24  B9R1.11  CNC(=O)[C@@H]1CCCN1 4088702 [1,1,0,0,0,0|1,0,1]=4
25  B9R1.11  CNC(=O)[C@H]1CCCN1 4090109 [1,1,0,0,0,0|1,0,1]=4
26  B9R1.11  COC(=O)C1C=CCN1 4028931 [1,1,0,0,0,0|2,0,0]=4
27  B9R1.41  CN1CC=CC1C(=O)O 4029308 [1,1,0,0,0,0|2,0,0]=4
28  B9R1.41  CN1CCC[C@H]1C(=O)O 4090456 [1,1,0,0,0,0|0,0,1]=3
29  B9R1.41  CN1CSC[C@H]1C(=O)O 4088259 [1,1,0,0,0,0|1,0,1]=4
30  B9R1.41  C[C@H]1OCC[C@H]1C(=O)O 4061662 [1,1,0,0,0,0|2,0,0]=4
31  B9R1.163  CC1(C(=O)O)CCCN1 4090777 [1,1,0,0,0,0|0,0,1]=3
32  B9R1.163  C[C@@]1(C(=O)O)CCCN1 4142038 [1,1,0,0,0,0|0,0,1]=3
33  B11R1.22  COC(=O)[C@@H]1CNC(=O)CN1 4044575 [0,1,0,0,0,1|1,0,0]=3
34  B11R1.730  O=C(O)C1CCCS(=O)(=O)C1 4037501 [0,1,0,0,0,1|2,0,0]=4
35  B9R1.6  O=C(O)C1CCSCN1 4088340 [0,0,1,1,0,0|2,0,0]=4
36  B9R2.39  O=C1N[C@@H]2CN[C@H]1C2 4082172 [1,0,0,1,0,0|1,0,1]=4
37  B7R0.16  C[C@@H](C(=O)O)N(C)C 4053971 [0,0,1,0,1,0|2,0,0]=4
38  B7R0.16  C[C@H](C(=O)O)N(C)C 4078952 [0,0,1,0,1,0|2,0,0]=4
39  B9R1.13  O=C(O)CC1CCCN1 4090243 [1,0,0,0,0,1|0,0,1]=3
40  B11R1.497  O=C1CCCCC(C(=O)O)N1 4038630 [0,0,0,0,0,2|0,0,0]=2