0  B6R0.2  CC(=O)CC(C)N 4022442 [0,0,0,0,0,0|2,0,0]=2
1  B6R0.2  CC(=O)CC(C)N 4089784 [0,0,0,0,0,0|2,0,0]=2
2  B6R0.2  CC(C)CC(=N)N 4089840 [0,0,0,0,0,0|3,0,0]=3
3  B7R0.2  CNC(C)CC(=O)O 4090195 [0,1,0,0,0,0|2,0,0]=3
4  B7R0.9  CC(C)CC(C)(C)N 4088334 [0,1,0,0,0,0|2,0,1]=4
5  B7R0.9  CN(C)CC(C)(C)N 4089578 [0,1,0,0,0,0|3,0,0]=4
6  B7R0.16  C[C@@H](C(=O)O)N(C)C 4053971 [0,1,0,0,0,0|3,0,0]=4
7  B7R0.16  C[C@H](C(=O)O)N(C)C 4078952 [0,1,0,0,0,0|3,0,0]=4
8  B7R1.20  N=C(N)NC1CC1 4087927 [0,0,0,1,0,0|3,0,0]=4
9  B5R0.5  CC(O)C(=N)N 4089130 [0,0,0,0,1,0|3,0,0]=4
10  B5R0.5  C[C@@H](O)C(=N)N 4060246 [0,0,0,0,1,0|3,0,0]=4
11  B5R0.5  C[C@H](O)C(=N)N 4057094 [0,0,0,0,1,0|3,0,0]=4
12  B6R0.1  CCOC(C)CN 4089019 [1,1,0,0,0,0|0,0,1]=3
13  B6R0.1  CNCC(C)OC 4089097 [1,1,0,0,0,0|2,0,0]=4
14  B6R0.3  CNC(C)C(C)C 4089636 [1,1,0,0,0,0|2,0,0]=4
15  B6R0.4  CNCCC(=O)O 4088781 [1,1,0,0,0,0|2,0,0]=4
16  B6R0.4  CNCCC(N)=O 4090391 [1,1,0,0,0,0|2,0,0]=4
17  B6R0.5  CNCC(C)(C)C 4088888 [1,1,0,0,0,0|2,0,0]=4
18  B6R0.5  COCC(C)(C)N 4088100 [1,1,0,0,0,0|2,0,0]=4
19  B6R0.7  CC(C)(C)C(=N)N 4089911 [0,1,0,0,1,0|2,0,0]=4
20  B6R0.7  CC(C)C(C)(C)N 4091195 [0,1,0,0,1,0|1,0,1]=4
21  B6R0.7  CC(N)C(C)(C)C 3001722 [0,1,0,0,1,0|1,0,1]=4
22  B6R0.7  CC(O)C(C)(C)N 4021798 [0,1,0,0,1,0|0,0,2]=4
23  B8R0.23  CC(C)C(N)CC(=O)O 3020223 [0,1,0,0,0,1|2,0,0]=4
24  B8R0.23  CC(C)[C@H](N)CC(=O)O 4106166 [0,1,0,0,0,1|2,0,0]=4
25  B8R0.29  CC(C)(N)CCC(=O)O 4090529 [0,1,0,0,0,1|2,0,0]=4
26  B8R0.2  COC(=O)C(=O)C(C)C 4045773 [0,2,0,0,0,0|1,0,0]=3
27  B6R1.2  NC1C=CCC1 4068828 [1,0,0,1,0,0|2,0,0]=4
28  B6R1.3  CCNC1CC1 4026907 [1,0,0,1,0,0|1,0,1]=4
29  B8R1.3  CC1CNC(=O)CN1 4045852 [0,0,0,1,0,1|2,0,0]=4
30  B8R1.3  C[C@@H]1CNC(=O)CN1 4090663 [0,0,0,1,0,1|2,0,0]=4
31  B8R1.3  C[C@H]1CNC(=O)CN1 4089619 [0,0,0,1,0,1|2,0,0]=4
32  B8R1.3  N[C@H]1CCC(=O)NC1 4097106 [0,0,0,1,0,1|2,0,0]=4
33  B8R1.1  CCC1CCC(=O)N1 4027451 [0,1,0,1,0,0|1,0,0]=3
34  B8R1.1  CCC1CNC(=O)C1 4026756 [0,1,0,1,0,0|2,0,0]=4
35  B8R1.1  NCC1CCC(=O)N1 4111537 [0,1,0,1,0,0|1,0,0]=3
36  B8R1.1  O=C1CCC(CCl)O1 4035082 [0,1,0,1,0,0|0,0,0]=2
37  B8R1.4  CC1CNCC(=O)N1 4049339 [0,1,0,1,0,0|1,0,0]=3
38  B8R1.4  C[C@H]1CNCC(=O)N1 4057204 [0,1,0,1,0,0|1,0,0]=3
39  B8R1.40  NCC(=O)NC1CC1 4088865 [0,1,0,1,0,0|1,0,0]=3