0  B4R0.1  N=C(N)CF 4088189 [0,0,0,0,0,0|3,0,1]=4
1  B5R0.1  COCC(=N)N 4091089 [0,1,0,0,0,0|2,0,1]=4
2  B5R0.3  C=C(CC)CN 4074283 [0,1,0,0,0,0|1,0,1]=3
3  B5R0.3  C=CC(O)CN 4055871 [0,1,0,0,0,0|0,0,2]=3
4  B5R0.3  CCC(C)NC 4039876 [0,1,0,0,0,0|1,0,0]=2
5  B5R0.3  CCC(C)NC 4089297 [0,1,0,0,0,0|1,0,0]=2
6  B5R0.3  CNC(=O)CN 4089909 [0,1,0,0,0,0|1,0,2]=4
7  B5R0.3  COC(C)CN 4089925 [0,1,0,0,0,0|1,0,0]=2
8  B5R0.3  CO[C@@H](C)C#N 4030194 [0,1,0,0,0,0|1,0,1]=3
9  B5R0.3  CO[C@@H](C)CO 4031352 [0,1,0,0,0,0|1,0,0]=2
10  B5R0.5  CC(O)C(=N)N 4089130 [0,1,0,0,0,0|1,0,1]=3
11  B5R0.5  C[C@@H](O)C(=N)N 4060246 [0,1,0,0,0,0|1,0,1]=3
12  B5R0.5  C[C@H](O)C(=N)N 4057094 [0,1,0,0,0,0|1,0,1]=3
13  B5R1.2  OC1CNC1 4088745 [0,0,0,1,0,0|1,0,0]=2
14  B5R1.4  C[C@@H]1C[C@H]1N 4110616 [0,0,0,1,0,0|1,0,0]=2
15  B4R0.2  CCCNN 4088315 [1,1,0,0,0,0|1,0,0]=3
16  B6R0.1  CCOC(C)CN 4089019 [0,2,0,0,0,0|1,0,0]=3
17  B6R0.1  CNCC(C)OC 4089097 [0,2,0,0,0,0|0,0,0]=2
18  B6R0.1  NCCC(O)CO 4051484 [0,2,0,0,0,0|0,0,0]=2
19  B6R0.2  CC(=O)CC(C)N 4022442 [0,2,0,0,0,0|1,0,0]=3
20  B6R0.2  CC(=O)CC(C)N 4089784 [0,2,0,0,0,0|1,0,0]=3
21  B6R0.2  CC(C)CC(=N)N 4089840 [0,2,0,0,0,0|1,0,1]=4
22  B6R0.3  CNC(=O)C(C)N 4088228 [0,2,0,0,0,0|0,0,2]=4
23  B6R0.3  CNC(=O)[C@@H](C)N 4055906 [0,2,0,0,0,0|0,0,2]=4
24  B6R0.3  CNC(C)C(C)C 4089636 [0,2,0,0,0,0|1,0,0]=3
25  B6R0.3  CN[C@@H](C)C(N)=O 4077652 [0,2,0,0,0,0|1,0,1]=4
26  B6R0.3  CN[C@H](C)C(N)=O 4076581 [0,2,0,0,0,0|1,0,1]=4
27  B6R0.3  C[C@@H](CN)N(C)C 4051077 [0,2,0,0,0,0|2,0,0]=4
28  B6R0.3  C[C@@H](O)C(=N)NO 4081862 [0,2,0,0,0,0|1,0,1]=4
29  B6R0.3  C[C@H](CN)N(C)C 4073390 [0,2,0,0,0,0|2,0,0]=4
30  B6R0.3  C[C@H](O)C(=N)NO 4061691 [0,2,0,0,0,0|1,0,1]=4
31  B6R0.4  CNCCC(=O)O 4088781 [0,2,0,0,0,0|1,0,1]=4
32  B6R0.5  CC(C)(C)CNN 4088354 [0,2,0,0,0,0|2,0,0]=4
33  B6R0.5  CNCC(C)(C)C 4088888 [0,2,0,0,0,0|1,0,0]=3
34  B6R0.5  COCC(C)(C)N 4088100 [0,2,0,0,0,0|1,0,0]=3
35  B6R0.9  CCC(CN)OC 4090078 [0,2,0,0,0,0|0,0,0]=2
36  B6R0.7  CC(C)C(C)(C)N 4091195 [0,2,0,0,0,0|1,0,0]=3
37  B6R0.7  CC(N)C(C)(C)C 3001722 [0,2,0,0,0,0|1,0,0]=3
38  B6R0.7  CC(N)C(F)(F)F 4088740 [0,2,0,0,0,0|2,0,0]=4
39  B6R0.7  CC(O)C(C)(C)N 4021798 [0,2,0,0,0,0|0,0,0]=2
40  B6R1.2  NC1C=CCC1 4068828 [0,1,0,1,0,0|1,0,1]=4
41  B6R1.2  NC1CCSC1 4014976 [0,1,0,1,0,0|1,0,0]=3
42  B6R1.2  N[C@@H]1CCOC1 4107838 [0,1,0,1,0,0|1,0,0]=3
43  B6R1.2  OC1CCSC1 4030923 [0,1,0,1,0,0|0,0,0]=2
44  B6R1.2  OC1CNOC1 4088318 [0,1,0,1,0,0|1,0,0]=3
45  B6R1.3  CCNC1CC1 4026907 [0,1,0,1,0,0|1,0,0]=3
46  B6R1.5  N[C@H]1C[C@H](O)C1 4088455 [0,1,0,1,0,0|0,0,0]=2
47  B6R1.4  N[C@H]1CC[C@@H]1O 4071120 [0,1,0,1,0,0|0,0,0]=2
48  B6R1.4  N[C@H]1CC[C@H]1O 4068939 [0,1,0,1,0,0|0,0,0]=2
49  B6R1.6  NCC1CCC1 4090412 [0,1,0,1,0,0|1,0,0]=3