0  B5R0.3  CC[C@H](O)CN 4038369 [0,0,0,0,0,0|1,0,0]=1
1  B4R0.1  CC(=O)CN 4088212 [1,0,0,0,0,0|1,0,1]=3
2  B4R0.1  CC(C)NN 4091043 [1,0,0,0,0,0|1,0,0]=2
3  B6R0.3  CC(C)[C@@H](O)CN 4038006 [0,1,0,0,0,0|1,0,0]=2
4  B6R0.3  CC(C)[C@H](O)CN 4038978 [0,1,0,0,0,0|1,0,0]=2
5  B6R0.8  CCC(C)(N)CC 4088869 [0,1,0,0,0,0|1,0,0]=2
6  B6R1.4  N[C@H]1CC[C@@H]1O 4085482 [0,0,0,1,0,0|1,0,0]=2
7  B6R1.4  N[C@H]1CC[C@H]1O 4085481 [0,0,0,1,0,0|1,0,0]=2
8  B6R1.7  CCC1(N)CC1 4090334 [0,0,0,1,0,0|2,0,0]=3
9  B5R0.1  NCCC(N)=O 4088784 [1,1,0,0,0,0|1,0,1]=4
10  B7R0.11  CNC(C)(C)COC 4089050 [0,2,0,0,0,0|2,0,0]=4
11  B5R1.4  C[C@@H]1C[C@H]1N 4045459 [1,0,0,1,0,0|0,0,0]=2
12  B5R1.5  CC1(N)CC1 4089893 [1,0,0,1,0,0|0,0,0]=2
13  B7R1.1  CCC1CCCN1 4031112 [0,1,0,1,0,0|1,0,0]=3
14  B7R1.1  OCC1CCCN1 3020449 [0,1,0,1,0,0|1,0,0]=3
15  B7R1.3  C[C@H]1CNCCO1 4088287 [0,1,0,1,0,0|0,0,0]=2
16  B7R1.3  NC1CCCOC1 4089910 [0,1,0,1,0,0|2,0,0]=4
17  B7R1.4  N[C@H]1COC[C@@H]1O 4089150 [0,1,0,1,0,0|1,0,0]=3
18  B7R1.4  N[C@H]1COC[C@H]1O 4088570 [0,1,0,1,0,0|1,0,0]=3
19  B7R1.4  O[C@H]1CNC[C@@H]1F 4034089 [0,1,0,1,0,0|1,0,0]=3
20  B7R1.4  O[C@H]1CNC[C@H]1O 4045291 [0,1,0,1,0,0|1,0,0]=3
21  B7R1.6  NCCC1CCC1 4088909 [0,1,0,1,0,0|0,0,0]=2
22  B7R1.10  CO[C@H]1C[C@H](O)C1 4071768 [0,1,0,1,0,0|2,0,0]=4
23  B7R1.19  CC(C)C1(N)CC1 4088447 [0,1,0,1,0,0|2,0,0]=4
24  B7R1.23  CC1(C)CC1CN 4091154 [0,1,0,1,0,0|0,0,0]=2