0  B7R0.6  CN(C)CCC(=N)N 4089883 [0,0,0,0,0,0|4,0,0]=4
1  B6R0.4  CCCCC(=N)N 4090419 [1,0,0,0,0,0|2,0,1]=4
2  B6R0.4  CNCCC(=O)O 4088781 [1,0,0,0,0,0|1,0,0]=2
3  B6R0.4  CNCCC(N)=O 4090391 [1,0,0,0,0,0|2,0,0]=3
4  B8R0.9  NNC(=O)CCC(N)=O 3001572 [0,1,0,0,0,0|2,0,0]=3
5  B8R0.23  CC(C)C(N)CC(=O)O 3020223 [0,1,0,0,0,0|1,0,1]=3
6  B8R0.23  CC(C)[C@H](N)CC(=O)O 4106166 [0,1,0,0,0,0|1,0,1]=3
7  B8R0.23  CC(CC(=O)O)N(C)C 4088130 [0,1,0,0,0,0|2,0,0]=3
8  B8R0.23  CC(CN(C)C)C(=O)O 4090277 [0,1,0,0,0,0|2,0,0]=3
9  B8R0.29  CC(C)(N)CCC(=O)O 4090529 [0,1,0,0,0,0|1,0,1]=3
10  B8R1.3  N[C@H]1CCC(=O)NC1 4097106 [0,0,0,1,0,0|2,0,1]=4
11  B8R1.23  O=C(O)C1CC(O)C1 4028966 [0,0,0,1,0,0|0,0,2]=3
12  B8R1.23  O=C(O)[C@H]1C[C@@H](O)C1 4045921 [0,0,0,1,0,0|0,0,2]=3
13  B6R0.2  CC(=O)CC(C)N 4022442 [0,0,0,0,1,0|2,0,1]=4
14  B6R0.2  CC(=O)CC(C)N 4089784 [0,0,0,0,1,0|2,0,1]=4
15  B7R0.2  CNC(C)CC(=O)O 4090195 [1,1,0,0,0,0|1,0,0]=3
16  B7R0.3  CNC(=O)CCCN 4089383 [1,1,0,0,0,0|1,0,1]=4
17  B7R0.3  CNCCC(=O)NC 4088709 [1,1,0,0,0,0|2,0,0]=4
18  B7R0.3  COCC\C(N)=N/O 4090102 [1,1,0,0,0,0|2,0,0]=4
19  B7R0.5  CNCC(C)C(=O)O 4088272 [1,1,0,0,0,0|1,0,0]=3
20  B7R0.16  C[C@@H](C(=O)O)N(C)C 4053971 [0,1,0,0,1,0|2,0,0]=4
21  B7R0.16  C[C@H](C(=O)O)N(C)C 4078952 [0,1,0,0,1,0|2,0,0]=4
22  B9R1.69  CN1CC(O)CCC1=O 4079526 [0,1,0,1,0,0|1,0,1]=4
23  B9R1.82  COC(=O)[C@H]1C[C@@H](N)C1 4089064 [0,1,0,1,0,0|1,0,1]=4
24  B9R1.82  COC(=O)[C@H]1C[C@H](N)C1 4089003 [0,1,0,1,0,0|1,0,1]=4
25  B9R1.95  COC1CC(C(=O)O)C1 4029580 [0,1,0,1,0,0|0,0,2]=4
26  B9R1.95  CO[C@H]1C[C@H](C(=O)O)C1 4058431 [0,1,0,1,0,0|0,0,2]=4
27  B9R1.147  CC1(CCC(=O)O)CC1 4012703 [0,1,0,1,0,0|1,0,1]=4
28  B5R0.5  O=C(O)C(=O)O 4034715 [0,0,0,0,2,0|1,0,0]=3