0  B9R0.34  CCOC(=O)C[C@@H](N)CC Y13948 [0,1,0,0,0,0|1,0,0]=2
1  B9R0.34  CCOC(=O)C[C@@H](O)CC D96332 [0,1,0,0,0,0|0,0,0]=1
2  B9R1.34  C[C@H]1CC(=O)C[C@@H](C)N1 P12608 [0,0,0,1,0,0|2,0,0]=3
3  B9R1.41  C[C@H](O)[C@@H]1CCCN1C P20727 [0,0,0,1,0,0|3,0,0]=4
4  B6R0.2  C[C@H](O)CN(C)C AT22519 [2,0,0,0,0,0|2,0,0]=4
5  B6R0.2  O=C(O)CC(F)F P18472 [2,0,0,0,0,0|2,0,0]=4
6  B8R0.19  CC[C@H](N)CC(=O)OC Y11154 [1,1,0,0,0,0|1,0,0]=3
7  B10R0.100  CCOC(=O)[C@@H](Br)C(C)(C)Br C76539 [0,2,0,0,0,0|1,0,0]=3
8  B10R0.7  CCOC(=O)CC(C)(C)CN 21300 [0,2,0,0,0,0|1,0,0]=3
9  B10R0.31  C[C@H](N)CC(=O)OC(C)(C)C Y13613 [0,2,0,0,0,0|1,0,0]=3
10  B8R1.4  CC1=CCCC(=O)C1 D79894 [1,0,0,1,0,0|1,0,1]=4
11  B8R1.4  C[C@H]1CC(=O)CCO1 P13205 [1,0,0,1,0,0|0,0,0]=2
12  B8R1.4  C[C@H]1CCCC(=O)N1 D85681 [1,0,0,1,0,0|2,0,0]=4
13  B8R1.4  NN1CCC[C@H](O)C1 Y14768 [1,0,0,1,0,0|2,0,0]=4
14  B8R1.4  N[C@@H]1CCC[C@H](O)C1 AT10758 [1,0,0,1,0,0|1,0,1]=4
15  B8R1.4  N[C@@H]1CCC[C@H](O)C1 D77153 [1,0,0,1,0,0|1,0,1]=4
16  B8R1.4  N[C@@H]1COCC(=O)C1 91465 [1,0,0,1,0,0|2,0,0]=4
17  B8R1.4  N[C@H]1CCC[C@H](O)C1 C73496 [1,0,0,1,0,0|1,0,1]=4
18  B8R1.22  C[C@H]1CCOCCN1 C90344 [1,0,0,1,0,0|1,0,1]=4
19  B8R1.22  N[C@H]1CCCOCC1 33401 [1,0,0,1,0,0|1,0,1]=4
20  B8R1.72  C[C@]1(O)CCCNC1 AT10307 [1,0,0,1,0,0|2,0,0]=4
21  B8R1.72  C[C@]1(O)CCCNC1 D97149 [1,0,0,1,0,0|2,0,0]=4
22  B8R1.11  C[C@@H]1OCC[C@@H]1CO 73087 [1,0,0,1,0,0|1,0,1]=4
23  B10R1.181  CCOC(=O)CC1(N)CC1 AT20149 [0,1,0,1,0,0|1,0,0]=3
24  B10R2.71  O=C1CC2COC(C1)O2 67575 [0,0,0,2,0,0|2,0,0]=4
25  B10R2.71  OC1CC2CCC(C1)O2 P10814 [0,0,0,2,0,0|1,0,1]=4
26  B10R2.534  O=C1CC2(CCN1)CC2 87189 [0,0,0,2,0,0|2,0,0]=4
27  B10R2.534  O=C1CCCC2(CC2)C1 P17305 [0,0,0,2,0,0|2,0,0]=4
28  B6R0.3  CC(C)C(=O)CN AT23528 [1,0,0,0,1,0|2,0,0]=4