0  B8R0.9  COC(=O)CC[C@H](C)Br AT23331 [1,0,0,0,0,0|1,0,1]=3
1  B10R1.14  CCC(=O)[C@H]1CCC(=O)C1 F53408 [0,0,0,1,0,0|2,0,0]=3
2  B10R1.14  COC(=O)[C@@H]1CNC(=O)O1 94947 [0,0,0,1,0,0|2,0,0]=3
3  B10R1.14  COC(=O)[C@H]1CC[C@H](O)C1 AT22315 [0,0,0,1,0,0|1,0,2]=4
4  B10R1.14  COC(=O)[C@H]1CC[C@H](O)C1 P19221 [0,0,0,1,0,0|1,0,2]=4
5  B8R0.19  COC(=O)CC(=O)CF AT24447 [0,0,0,0,1,0|2,0,0]=3
6  B7R0.4  CCCCC[13C](=O)O 41454 [2,0,0,0,0,0|1,0,1]=4
7  B7R0.6  C[C@H](N)CCC(=O)O D75535 [2,0,0,0,0,0|1,0,1]=4
8  B7R0.6  O=C(O)CCB(O)O E72861 [2,0,0,0,0,0|1,0,1]=4
9  B9R0.46  COC(=O)CCOCCO C70644 [1,1,0,0,0,0|2,0,0]=4
10  B9R0.7  C[C@H](S)C(=O)NCC(=O)O AC9095 [1,1,0,0,0,0|2,0,0]=4
11  B9R0.42  CNC(=O)N[C@@H](C)C(=O)O AT23078 [1,1,0,0,0,0|2,0,0]=4
12  B9R0.42  CNC(=O)N[C@@H](C)C(=O)O AT23079 [1,1,0,0,0,0|2,0,0]=4
13  B9R0.42  COC(=O)C[C@H](C)C(=O)Cl AC8994 [1,1,0,0,0,0|1,0,0]=3
14  B11R0.120  COC(=O)\C=C\C(=O)C(=O)OC D75969 [0,1,0,0,0,1|0,0,2]=4
15  B11R0.66  COC(=O)C(=O)[C@H](C)C(=O)OC AC9470 [0,2,0,0,0,0|0,0,1]=3
16  B9R1.81  COC(=O)[C@H]1CN[C@@H]1C P18147 [1,0,0,1,0,0|2,0,0]=4
17  B9R1.35  CC(=O)[C@H]1CCC(=O)C1 F53422 [1,0,0,1,0,0|1,0,0]=3
18  B9R1.35  CC(=O)[C@H]1CCC(=O)C1 F53666 [1,0,0,1,0,0|1,0,0]=3
19  B9R1.35  O=C1NC[C@@H](C(=O)O)O1 AT13973 [1,0,0,1,0,0|2,0,0]=4
20  B9R1.35  O=C1N[C@H](C(=O)O)CS1 AT21690 [1,0,0,1,0,0|1,1,0]=4
21  B9R1.82  COC(=O)[C@@H]1CC(=O)N1 AT19216 [1,0,0,1,0,0|1,0,0]=3
22  B9R1.82  COC(=O)[C@H]1C[C@@H](Br)C1 P14334 [1,0,0,1,0,0|1,0,1]=4
23  B11R1.39  COC(=O)C[C@H]1CCC(=O)C1 88863 [0,0,0,1,0,1|1,0,0]=3
24  B11R1.39  COC(=O)C[C@H]1CCC(=O)N1 AT14441 [0,0,0,1,0,1|1,0,0]=3
25  B11R1.39  COC(=O)C[C@H]1CCC(=O)N1 AT14445 [0,0,0,1,0,1|1,0,0]=3
26  B11R1.44  COC(=O)[C@@H]1C[C@H](OC)CN1 56601 [0,0,0,1,0,1|1,0,1]=4
27  B11R1.23  C=C1CCC[C@H](C(=O)OC)C1 AT23744 [0,1,0,1,0,0|2,0,0]=4
28  B11R1.23  CCC(=O)[C@H]1CCCC(=O)C1 F53409 [0,1,0,1,0,0|2,0,0]=4
29  B11R1.23  COC(=O)C1COCC(N)C1 AT13737 [0,1,0,1,0,0|1,0,1]=4
30  B11R1.23  COC(=O)C1COCC(O)C1 P17612 [0,1,0,1,0,0|0,0,2]=4
31  B11R1.23  COC(=O)[C@@H]1CC(=O)CCN1 38136 [0,1,0,1,0,0|1,0,0]=3
32  B11R1.23  COC(=O)[C@@H]1CC(=O)CCO1 AT14695 [0,1,0,1,0,0|1,0,0]=3
33  B11R1.23  COC(=O)[C@@H]1COC[C@@H](N)C1 C91885 [0,1,0,1,0,0|1,0,1]=4
34  B11R1.23  COC(=O)[C@@H]1CSCC(=O)C1 AT12974 [0,1,0,1,0,0|0,1,0]=3
35  B11R1.226  COC(=O)[C@H]1C[C@H](O)C(=O)N1 AC9788 [0,1,0,1,0,0|2,0,0]=4