0  B12R1.16  CCOC(=O)C1CCC(O)CO1 38921 [0,0,0,1,0,0|2,0,0]=3
1  B12R1.16  CCOC(=O)[C@@H]1CCC(=O)CO1 P13576 [0,0,0,1,0,0|2,0,1]=4
2  B12R1.16  CCOC(=O)[C@@H]1CC[C@@H](N)CO1 P13581 [0,0,0,1,0,0|2,0,0]=3
3  B12R1.308  CCOC(=O)[C@@H]1CCCC[C@@H]1N 74393 [0,0,0,1,0,0|1,0,0]=2
4  B12R1.308  CCOC(=O)[C@@H]1CCCOC1=O P14039 [0,0,0,1,0,0|2,0,1]=4
5  B12R1.308  CCOC(=O)[C@@H]1OCCCC1=O P13988 [0,0,0,1,0,0|2,0,1]=4
6  B12R1.1564  CCOC(=O)[C@H]1CCCCNC1 81207 [0,0,0,1,0,0|1,0,0]=2
7  B12R1.1579  CCOC(=O)N1CCC(=O)[C@@H]1C C76331 [0,0,0,1,0,0|2,0,1]=4
8  B9R0.5  CCCCNC(=O)CCC D86376 [2,0,0,0,0,0|2,0,0]=4
9  B11R1.112  CCOC(=O)[C@H]1C[C@@H]1CC#N P16214 [1,0,0,1,0,0|1,0,1]=4
10  B11R1.112  CCOC(=O)[C@H]1C[C@H]1CC#N P15487 [1,0,0,1,0,0|1,0,1]=4
11  B11R1.199  CCOC(=O)[C@H]1CNC[C@@H]1O P18210 [1,0,0,1,0,0|2,0,0]=4
12  B11R1.22  COC(=O)[C@H]1CC[C@@H](C)NC1 C13702 [1,0,0,1,0,0|1,0,0]=3
13  B11R1.22  COC(=O)[C@H]1CC[C@H](C)NC1 P16384 [1,0,0,1,0,0|1,0,0]=3
14  B11R1.44  C#CC1CCC(C(=O)OC)C1 58316 [1,0,0,1,0,0|0,0,2]=4
15  B11R1.44  COC(=O)[C@H]1CC[C@@H](CO)C1 P16294 [1,0,0,1,0,0|1,0,0]=3
16  B11R1.222  COC(=O)C1CCNCC1F P16241 [1,0,0,1,0,0|2,0,0]=4
17  B11R1.222  COC(=O)[C@@H]1CCCC[C@@H]1N P19164 [1,0,0,1,0,0|1,0,0]=3
18  B11R1.222  COC(=O)[C@@H]1COCC[C@@H]1N P17693 [1,0,0,1,0,0|2,0,0]=4
19  B11R1.222  COC(=O)[C@H]1CNCC[C@@H]1C D79695 [1,0,0,1,0,0|1,0,0]=3
20  B11R1.222  COC(=O)[C@H]1CNCC[C@@H]1C D79696 [1,0,0,1,0,0|1,0,0]=3
21  B11R1.222  COC(=O)[C@H]1CNCC[C@H]1C D79694 [1,0,0,1,0,0|1,0,0]=3
22  B13R1.19  CCOC(=O)C[C@H]1CC[C@H](O)CC1 C13025 [0,0,0,1,0,1|1,0,0]=3
23  B13R1.466  CCOC(=O)[C@@H]1CC[C@H](O)[C@@H](F)C1 P17990 [0,1,0,1,0,0|1,0,0]=3
24  B13R1.465  CCOC(=O)[C@H]1CNCCC1(F)F W15318 [0,1,0,1,0,0|2,0,0]=4
25  B13R1.1546  CCOC(=O)[C@@]1(F)CCCCC1=O AC8744 [0,1,0,1,0,0|1,0,1]=4
26  B13R1.4446  CCOC(=O)[C@]1(C)CC[C@H](N)CC1 P20252 [0,1,0,1,0,0|1,0,0]=3
27  B13R2.821  CCOC(=O)C1[C@H]2CC(=O)C[C@@H]12 D79614 [0,0,0,2,0,0|1,0,1]=4
28  B13R2.856  CCOC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 81398 [0,0,0,2,0,0|1,0,0]=3