0  B11R0.160  CSCC[C@H](NC(C)=O)C(=O)O SY004613 [0,0,0,0,0,0|0,0,0]=0
1  B10R0.88  CCCCC(OCC)C(=O)O SY057663 [1,0,0,0,0,0|2,0,1]=4
2  B12R0.120  CC(=O)N[C@@H](CCCCN)C(=O)O SY051389 [0,1,0,0,0,0|1,0,0]=2
3  B12R0.138  CC(=O)N[C@@H](CCC(=O)O)C(=O)O SY017890 [0,1,0,0,0,0|2,0,0]=3
4  B12R0.138  CC(=O)N[C@@H](CCC(N)=O)C(=O)O SY057113 [0,1,0,0,0,0|2,0,0]=3
5  B12R1.261  O=C(O)[C@@H]1CCCC[C@H]1C(=O)O SY033780 [0,0,0,1,0,0|3,0,0]=4
6  B12R1.261  O=C(O)[C@@H]1CCCC[C@H]1C(=O)O SY037144 [0,0,0,1,0,0|3,0,0]=4
7  B12R1.261  O=C(O)[C@H]1CCCC[C@H]1C(=O)O SY062102 [0,0,0,1,0,0|3,0,0]=4
8  B9R0.15  CCCC(OCC)C(=O)O SY057661 [2,0,0,0,0,0|1,0,1]=4
9  B9R0.39  CC(=O)N[C@@H](CS)C(=O)O SY009511 [2,0,0,0,0,0|0,0,0]=2
10  B9R0.13  CCCCC(OC)C(=O)O SY057659 [2,0,0,0,0,0|2,0,0]=4
11  B11R0.32  CC(=O)NC(CC(C)C)C(=O)O SY062212 [1,1,0,0,0,0|0,0,0]=2
12  B11R0.32  CC(=O)N[C@@H](CC(C)C)C(=O)O SY013106 [1,1,0,0,0,0|0,0,0]=2
13  B11R0.32  CC(=O)N[C@H](CC(C)C)C(=O)O SY008073 [1,1,0,0,0,0|0,0,0]=2
14  B11R0.39  COC(=O)C(CCBr)OC(C)=O SY026496 [1,1,0,0,0,0|2,0,0]=4
15  B11R0.115  CC[C@H](C)[C@@H](NC(C)=O)C(=O)O SY025916 [1,1,0,0,0,0|0,0,0]=2
16  B11R0.115  CC[C@H](C)[C@H](NC(C)=O)C(=O)O SY110321 [1,1,0,0,0,0|0,0,0]=2
17  B11R1.178  CC(=O)N1CCC[C@H]1C(=O)O SY008844 [1,0,0,1,0,0|0,0,0]=2
18  B11R1.178  O=C(O)[C@H]1CCC[C@H]1C(=O)O SY064388 [1,0,0,1,0,0|2,0,0]=4
19  B11R1.230  CCCCC1NC(=O)OC1=O SY225146 [1,0,0,1,0,0|2,0,0]=4
20  B11R1.230  CCCC[C@@H]1NC(=O)OC1=O SY225304 [1,0,0,1,0,0|2,0,0]=4
21  B11R1.230  CSCCC1NC(=O)OC1=O SY225167 [1,0,0,1,0,0|1,0,0]=3
22  B11R1.230  CSCC[C@@H]1NC(=O)OC1=O SY225251 [1,0,0,1,0,0|1,0,0]=3
23  B11R1.230  CSCC[C@H]1NC(=O)OC1=O SY225265 [1,0,0,1,0,0|1,0,0]=3
24  B11R1.1385  O=C(O)C1(C(=O)O)CCCC1 SY047782 [0,0,0,1,1,0|2,0,0]=4
25  B13R1.547  COC(=O)[C@@H]1CCCC[C@H]1C(=O)O SY057501 [0,1,0,1,0,0|2,0,0]=4
26  B13R2.371  O=C1NCC(=O)N2CCCCC12 SY075318 [0,0,0,2,0,0|2,0,0]=4
27  B9R0.33  CCCC(C(=O)O)C(C)C SY146898 [1,0,0,0,1,0|1,0,1]=4