0  B5R0.5  CC(O)C(=N)N 4089130 [0,0,0,0,0,0|2,1,1]=4
1  B5R0.5  C[C@@H](O)C(=N)N 4060246 [0,0,0,0,0,0|2,1,1]=4
2  B5R0.5  C[C@H](O)C(=N)N 4057094 [0,0,0,0,0,0|2,1,1]=4
3  B6R0.3  CNC(=O)C(C)N 4088228 [0,1,0,0,0,0|1,1,1]=4
4  B6R0.3  CNC(=O)[C@@H](C)N 4055906 [0,1,0,0,0,0|1,1,1]=4
5  B6R0.3  CNC(C)C(C)C 4089636 [0,1,0,0,0,0|2,0,0]=3
6  B6R0.3  C[C@@H](CN)N(C)C 4051077 [0,1,0,0,0,0|3,0,0]=4
7  B6R0.3  C[C@H](CN)N(C)C 4073390 [0,1,0,0,0,0|3,0,0]=4
8  B6R0.7  CC(C)C(C)(C)N 4091195 [0,1,0,0,0,0|2,0,0]=3
9  B6R0.7  CC(N)C(C)(C)C 3001722 [0,1,0,0,0,0|2,0,0]=3
10  B6R0.7  CC(N)C(F)(F)F 4088740 [0,1,0,0,0,0|3,0,0]=4
11  B6R0.7  CC(O)C(C)(C)N 4021798 [0,1,0,0,0,0|1,1,0]=3
12  B6R1.4  N[C@H]1CC[C@@H]1O 4071120 [0,0,0,1,0,0|1,1,0]=3
13  B6R1.4  N[C@H]1CC[C@H]1O 4068939 [0,0,0,1,0,0|1,1,0]=3
14  B6R0.2  CC(=O)CC(C)N 4022442 [0,0,0,0,0,1|1,1,1]=4
15  B6R0.2  CC(=O)CC(C)N 4089784 [0,0,0,0,0,1|1,1,1]=4
16  B5R0.3  C=C(CC)CN 4074283 [1,1,0,0,0,0|1,0,1]=4
17  B5R0.3  CCC(C)NC 4039876 [1,1,0,0,0,0|1,0,0]=3
18  B5R0.3  CCC(C)NC 4089297 [1,1,0,0,0,0|1,0,0]=3
19  B5R0.3  COC(C)CN 4089925 [1,1,0,0,0,0|1,1,0]=4
20  B5R0.3  CO[C@@H](C)C#N 4030194 [1,1,0,0,0,0|2,0,0]=4
21  B5R0.3  CO[C@@H](C)CO 4031352 [1,1,0,0,0,0|0,2,0]=4
22  B7R0.9  CC(C)CC(C)(C)N 4088334 [0,1,0,0,0,1|2,0,0]=4
23  B7R0.14  CNC(C)C(C)(C)C 4089219 [0,2,0,0,0,0|2,0,0]=4
24  B5R1.2  OC1CNC1 4088745 [1,0,0,1,0,0|1,1,0]=4
25  B5R1.4  C[C@@H]1C[C@H]1N 4110616 [1,0,0,1,0,0|1,0,0]=3
26  B7R1.2  NC1CCC(O)C1 4094627 [0,0,0,1,0,1|1,1,0]=4
27  B7R1.2  N[C@@H]1CC[C@H](O)C1 4089591 [0,0,0,1,0,1|1,1,0]=4
28  B7R1.4  C[C@@H]1CNC[C@@H]1C 4034805 [0,1,0,1,0,0|2,0,0]=4
29  B7R1.4  C[C@@H]1CNC[C@H]1C 4034801 [0,1,0,1,0,0|2,0,0]=4
30  B7R1.4  N[C@H]1COC[C@H]1O 4044721 [0,1,0,1,0,0|1,1,0]=4
31  B7R1.4  O[C@H]1CNC[C@@H]1O 4093726 [0,1,0,1,0,0|0,2,0]=4
32  B7R1.19  CC(N)C1(O)CC1 4035778 [0,1,0,1,0,0|1,1,0]=4
33  B7R1.26  CC(C)(N)C1CC1 4049152 [0,1,0,1,0,0|2,0,0]=4