0  B9R0.27  O=CC(O)C(O)C(O)CO CS14606 [0,0,0,0,0,0|0,0,0]=0
1  B9R0.27  O=CC(O)C(O)C(O)CO CS16201 [0,0,0,0,0,0|0,0,0]=0
2  B9R0.27  O=CC(O)C(O)C(O)CO CS22638 [0,0,0,0,0,0|0,0,0]=0
3  B8R0.2  CC(C)=C(O)C(O)C=O MC20318 [1,0,0,0,0,0|1,0,2]=4
4  B8R0.2  O=C(O)C(O)C(O)CO MC20861 [1,0,0,0,0,0|0,0,1]=2
5  B8R0.2  O=C([O-])C(O)C(O)CO CS13317 [1,0,0,0,0,0|0,0,2]=3
6  B8R0.2  O=C([O-])C(O)C(O)CO MC428259 [1,0,0,0,0,0|0,0,2]=3
7  B8R0.3  O=CCC(O)C(O)CO CS21863 [1,0,0,0,0,0|0,0,0]=1
8  B10R0.56  CC(O)C(O)C(O)C(O)C=O CS22815 [0,1,0,0,0,0|0,0,0]=1
9  B10R1.34  NC1CC(CO)C(O)C1O MC114627 [0,0,0,1,0,0|2,0,1]=4
10  B10R1.119  OC1C=CC(O)C(Br)C1Br MC117066 [0,0,0,1,0,0|3,0,0]=4
11  B7R0.2  NCC(O)CC(=O)O CS16710 [2,0,0,0,0,0|1,0,1]=4
12  B7R0.5  NC(CCO)C(=O)O CS13886 [2,0,0,0,0,0|1,0,1]=4
13  B7R0.5  NC(CCO)C(=O)O CS16701 [2,0,0,0,0,0|1,0,1]=4
14  B7R0.5  NC(CCO)C(=O)O CS22620 [2,0,0,0,0,0|1,0,1]=4
15  B7R0.5  NCCC(O)C(=O)O CS15496 [2,0,0,0,0,0|1,0,1]=4
16  B7R0.5  NCCC(O)C(=O)O CS21759 [2,0,0,0,0,0|1,0,1]=4
17  B7R0.10  OC(CS)C(O)CS MC436992 [2,0,0,0,0,0|0,2,0]=4
18  B7R0.10  OC(CS)C(O)CS MC436993 [2,0,0,0,0,0|0,2,0]=4
19  B7R0.16  CC(C)C(O)C(=O)O MC437769 [2,0,0,0,0,0|1,0,1]=4
20  B7R0.16  CC(C)C(O)C(=O)O MC437770 [2,0,0,0,0,0|1,0,1]=4
21  B7R0.16  CC(O)C(N)C(=O)O CS16722 [2,0,0,0,0,0|1,0,1]=4
22  B7R0.16  CC(O)C(N)C(=O)O CS22619 [2,0,0,0,0,0|1,0,1]=4
23  B7R0.16  CC(O)C(N)C(=O)O MC438198 [2,0,0,0,0,0|1,0,1]=4
24  B7R0.16  CC(O)C(N)C(=O)O MC438199 [2,0,0,0,0,0|1,0,1]=4
25  B7R0.16  CC(O)C(N)C(=O)O MC438200 [2,0,0,0,0,0|1,0,1]=4
26  B7R0.3  C=CCCC(O)CCl MC114485 [2,0,0,0,0,0|2,0,0]=4
27  B7R0.3  CCC(O)CCCO MC116029 [2,0,0,0,0,0|1,0,1]=4
28  B9R0.79  CC(C)C(O)C(N)C(=O)O MC116178 [1,1,0,0,0,0|2,0,0]=4
29  B9R0.79  O=C(O)C(O)C(O)C(=O)O CS11193 [1,1,0,0,0,0|0,0,2]=4
30  B9R0.79  O=C(O)C(O)C(O)C(=O)O CS19386 [1,1,0,0,0,0|0,0,2]=4
31  B9R0.79  O=C(O)C(O)C(O)C(=O)O MC21114 [1,1,0,0,0,0|0,0,2]=4
32  B9R0.79  O=C(O)C(O)C(O)C(=O)O MC426007 [1,1,0,0,0,0|0,0,2]=4
33  B11R0.66  NC(C=O)C(O)C(O)C(O)CO CS11288 [0,1,0,0,0,1|1,0,0]=3
34  B11R0.66  O=CC(O)C(O)C(O)C(O)CO CS11739 [0,1,0,0,0,1|0,0,0]=2
35  B11R0.66  O=CC(O)C(O)C(O)C(O)CO CS14623 [0,1,0,0,0,1|0,0,0]=2
36  B11R0.66  O=CC(O)C(O)C(O)C(S)CO MC115095 [0,1,0,0,0,1|0,1,0]=3
37  B11R1.278  COC1OCC(O)C(O)C1O MC114751 [0,1,0,1,0,0|0,0,2]=4
38  B11R1.278  OCC1NCC(O)C(O)C1O MC34270 [0,1,0,1,0,0|1,0,1]=4
39  B11R1.278  OCC1NCC(O)C(O)C1O MC34271 [0,1,0,1,0,0|1,0,1]=4
40  B11R2.738  O=C1NC2CC1C(O)C2O MC106925 [0,0,0,2,0,0|2,0,0]=4