0  B7R0.16  C[C@@H](C(=O)O)N(C)C 4053971 [0,0,0,0,0,0|3,0,0]=3
1  B7R0.16  C[C@H](C(=O)O)N(C)C 4078952 [0,0,0,0,0,0|3,0,0]=3
2  B6R0.2  CC(=O)CC(C)N 4022442 [1,0,0,0,0,0|2,0,0]=3
3  B6R0.2  CC(=O)CC(C)N 4089784 [1,0,0,0,0,0|2,0,0]=3
4  B6R0.2  CC(C)CC(=N)N 4089840 [1,0,0,0,0,0|3,0,0]=4
5  B6R0.3  CN[C@@H](C)C(N)=O 4077652 [1,0,0,0,0,0|3,0,0]=4
6  B6R0.3  CN[C@H](C)C(N)=O 4076581 [1,0,0,0,0,0|3,0,0]=4
7  B6R0.3  C[C@@H](O)C(=N)NO 4081862 [1,0,0,0,0,0|1,0,2]=4
8  B6R0.3  C[C@H](O)C(=N)NO 4061691 [1,0,0,0,0,0|1,0,2]=4
9  B8R0.2  COC(=O)C(=O)C(C)C 4045773 [0,1,0,0,0,0|2,0,1]=4
10  B8R0.23  CC(C)C(N)CC(=O)O 3020223 [0,0,0,0,0,1|1,0,0]=2
11  B8R0.23  CC(C)[C@H](N)CC(=O)O 4106166 [0,0,0,0,0,1|1,0,0]=2
12  B8R0.23  CC(CC(=O)O)N(C)C 4088130 [0,0,0,0,0,1|3,0,0]=4
13  B8R0.23  CC(CN(C)C)C(=O)O 4090277 [0,0,0,0,0,1|3,0,0]=4
14  B5R0.5  CC(O)C(=N)N 4089130 [2,0,0,0,0,0|1,0,1]=4
15  B5R0.5  C[C@@H](O)C(=N)N 4060246 [2,0,0,0,0,0|1,0,1]=4
16  B5R0.5  C[C@H](O)C(=N)N 4057094 [2,0,0,0,0,0|1,0,1]=4
17  B5R0.5  O=C(O)C(=O)O 4034715 [2,0,0,0,0,0|1,0,1]=4
18  B7R0.2  CNC(C)CC(=O)O 4090195 [1,1,0,0,0,0|1,0,0]=3
19  B7R0.5  CNCC(C)C(=O)O 4088272 [1,1,0,0,0,0|1,0,0]=3
20  B7R0.10  CCC(N)C(=O)NC 4090715 [1,1,0,0,0,0|1,0,0]=3
21  B7R0.10  CN[C@@H](C)C(=O)OC 4063702 [1,1,0,0,0,0|2,0,0]=4
22  B7R0.10  CN[C@H](C)C(=O)OC 4068255 [1,1,0,0,0,0|2,0,0]=4
23  B7R0.13  CC(C)(CN)C(=O)O 4089012 [1,1,0,0,0,0|2,0,0]=4
24  B7R1.4  NC1CCNC1=O 4019954 [1,0,0,1,0,0|1,0,0]=3
25  B7R1.4  N[C@@H]1CCNC1=O 4101224 [1,0,0,1,0,0|1,0,0]=3
26  B7R1.4  N[C@H]1CCNC1=O 4107612 [1,0,0,1,0,0|1,0,0]=3
27  B7R1.4  N[C@H]1COC[C@H]1O 4044721 [1,0,0,1,0,0|0,0,1]=3
28  B9R1.36  NC1CS(=O)(=O)CC1O 4100779 [0,0,0,1,0,1|1,0,1]=4
29  B9R1.36  N[C@@H]1CS(=O)(=O)C[C@H]1O 4172199 [0,0,0,1,0,1|1,0,1]=4
30  B9R1.36  N[C@H]1CS(=O)(=O)C[C@H]1O 4045378 [0,0,0,1,0,1|1,0,1]=4
31  B9R1.41  C[C@H]1OCC[C@H]1C(=O)O 4061662 [0,1,0,1,0,0|1,0,0]=3
32  B9R1.165  CC(N)(C(=O)O)C1CC1 4087938 [0,1,0,1,0,0|1,0,0]=3