0  B7R0.3  CCC(=O)NCCN 4028425 [1,0,0,0,0,0|2,0,0]=3
1  B7R0.3  CCN(C)CCNC 4027628 [1,0,0,0,0,0|3,0,0]=4
2  B7R0.3  CNC(=O)CCCN 4089383 [1,0,0,0,0,0|2,0,0]=3
3  B7R0.3  CNCCC(=O)NC 4088709 [1,0,0,0,0,0|2,0,0]=3
4  B7R0.7  CCCC(C)NCC 4090739 [1,0,0,0,0,0|2,0,1]=4
5  B9R0.18  CCOCC(=O)NCCN 3020446 [0,1,0,0,0,0|2,0,0]=3
6  B9R0.34  CCOC(=O)CC(C)NC 3005120 [0,1,0,0,0,0|1,0,0]=2
7  B9R1.15  CCC1NCCNC1=O 4091140 [0,0,0,1,0,0|3,0,0]=4
8  B9R1.15  CCN1CCNCC1=O 4088235 [0,0,0,1,0,0|2,0,0]=3
9  B9R1.33  NCCN1CCCC1=O 4088871 [0,0,0,1,0,0|3,0,0]=4
10  B9R1.49  CC1CNC(=O)CCN1 4089332 [0,0,0,1,0,0|3,0,0]=4
11  B9R1.49  NC1CCNC(=O)CC1 4020296 [0,0,0,1,0,0|2,0,0]=3
12  B6R0.6  CCOCCNC 4089681 [2,0,0,0,0,0|1,0,0]=3
13  B6R0.4  CCCCC(=N)N 4090419 [2,0,0,0,0,0|2,0,0]=4
14  B6R0.4  CNCCC(=O)O 4088781 [2,0,0,0,0,0|1,0,0]=3
15  B6R0.4  CNCCC(N)=O 4090391 [2,0,0,0,0,0|2,0,0]=4
16  B8R0.3  COC(=O)[C@@H](N)CSC 4090948 [1,1,0,0,0,0|1,0,0]=3
17  B8R0.8  CC(C)C(=O)NCCN 4090894 [1,1,0,0,0,0|2,0,0]=4
18  B8R0.8  CN(C)C(=O)CCCN 4089531 [1,1,0,0,0,0|2,0,0]=4
19  B8R0.8  CNCCC(=O)N(C)C 4034649 [1,1,0,0,0,0|2,0,0]=4
20  B8R0.25  CCS(=O)(=O)CCNC 4090716 [1,1,0,0,0,0|2,0,0]=4
21  B10R0.2  CCCC(N)CC(=O)OCC 4090675 [0,2,0,0,0,0|0,0,0]=2
22  B10R0.26  CCOC(=O)CC(N)C(C)C 4091162 [0,2,0,0,0,0|0,0,0]=2
23  B8R1.2  NCC1=CCCCC1 4089848 [1,0,0,1,0,0|2,0,0]=4
24  B8R1.8  CCNC1CCCC1 4088683 [1,0,0,1,0,0|1,0,1]=4
25  B8R1.8  CCOC1CCNC1 4089420 [1,0,0,1,0,0|1,0,1]=4
26  B8R1.22  CC1CNCCCO1 4041125 [1,0,0,1,0,0|1,0,1]=4
27  B8R1.1  CCC1CCC(=O)N1 4027451 [1,0,0,1,0,0|1,0,0]=3
28  B8R1.1  CCC1CNC(=O)C1 4026756 [1,0,0,1,0,0|1,0,0]=3
29  B8R1.1  NCC1CCC(=O)N1 4111537 [1,0,0,1,0,0|2,0,0]=4
30  B8R1.1  O=C1CCC(CCl)O1 4035082 [1,0,0,1,0,0|2,0,0]=4
31  B8R1.3  CC1CCC(N)CC1 3002871 [1,0,0,1,0,0|1,0,1]=4
32  B8R1.3  CC1CNC(=O)CN1 4045852 [1,0,0,1,0,0|2,0,0]=4
33  B8R1.3  C[C@@H]1CNC(=O)CN1 4090663 [1,0,0,1,0,0|2,0,0]=4
34  B8R1.3  C[C@H]1CC[C@@H](N)CC1 4095854 [1,0,0,1,0,0|1,0,1]=4
35  B8R1.3  C[C@H]1CNC(=O)CN1 4089619 [1,0,0,1,0,0|2,0,0]=4
36  B8R1.3  N[C@H]1CCC(=O)NC1 4097106 [1,0,0,1,0,0|2,0,0]=4
37  B8R1.40  NCC(=O)NC1CC1 4088865 [1,0,0,1,0,0|2,0,0]=4
38  B8R1.4  CC1CNCC(=O)N1 4049339 [1,0,0,1,0,0|2,0,0]=4
39  B8R1.4  C[C@H]1CNCC(=O)N1 4057204 [1,0,0,1,0,0|2,0,0]=4
40  B10R1.11  CNCC(=O)N1CCCC1 3020358 [0,1,0,1,0,0|2,0,0]=4
41  B10R1.4  CCCN1CCNCC1=O 4090931 [0,1,0,1,0,0|2,0,0]=4
42  B10R1.4  NCCN1CCCCC1=O 4088353 [0,1,0,1,0,0|1,0,0]=3
43  B10R1.4  NCCN1CCCOC1=O 4089871 [0,1,0,1,0,0|2,0,0]=4
44  B10R1.64  CN(C)CC1CCCC1=O 4088489 [0,1,0,1,0,0|2,0,0]=4
45  B10R2.2  O=C1C[C@H]2CNC[C@H]2N1 4110412 [0,0,0,2,0,0|2,0,0]=4
46  B10R2.190  O=C1NCCC12CCC2 4035729 [0,0,0,2,0,0|1,0,0]=3