0  B11R1.74  O=C1CC(=O)OC(C(=O)O)C1 MC444303 [0,0,0,1,0,0|2,0,1]=4
1  B11R1.645  CC(C)CC1NC(=O)NC1=O CS19610 [0,0,0,1,0,0|3,0,0]=4
2  B9R0.53  CC(C)CC(C)CC(=O)O MC112321 [0,0,0,0,1,0|2,0,1]=4
3  B9R0.53  CC(C)CC(N)CC(=O)O CS19014 [0,0,0,0,1,0|2,0,1]=4
4  B9R0.53  CC(C)CC(N)CC(=O)O MC439109 [0,0,0,0,1,0|2,0,1]=4
5  B9R0.53  CC(C)OC(=O)OC(C)Cl CS20669 [0,0,0,0,1,0|2,0,1]=4
6  B9R0.53  C\C(N)=C\C(=O)OC(C)C CS10135 [0,0,0,0,1,0|1,0,1]=3
7  B8R0.5  CCOC(=O)C=C(C)C CS11345 [2,0,0,0,0,0|1,0,1]=4
8  B8R0.5  CCOC(=O)CC(=N)N MC41916 [2,0,0,0,0,0|2,0,0]=4
9  B8R0.5  CCOC(=O)CC(=O)Cl MC20855 [2,0,0,0,0,0|1,0,0]=3
10  B8R0.5  CCOC(=O)CC(C)=O MC41905 [2,0,0,0,0,0|0,0,0]=2
11  B8R0.5  CCOC(=O)CC(C)O CS11353 [2,0,0,0,0,0|0,0,2]=4
12  B8R0.5  CCOC(=O)CC(C)O CS18545 [2,0,0,0,0,0|0,0,2]=4
13  B8R0.5  CCOC(=O)CC(N)=O CS18301 [2,0,0,0,0,0|1,0,0]=3
14  B8R0.5  CCOC(=O)C[N+](=O)[O-] CS22612 [2,0,0,0,0,0|2,0,0]=4
15  B8R0.5  CCOC(=O)\C=C(/C)N CS15795 [2,0,0,0,0,0|1,0,1]=4
16  B8R0.9  C=CC(=O)OCC(C)O CS21600 [2,0,0,0,0,0|1,0,1]=4
17  B10R0.31  CC(=O)NC(=O)OC(C)(C)C CS12195 [0,1,0,0,1,0|1,0,0]=3
18  B10R0.31  CC(C)(C)OC(=O)CC(=O)O MC10151 [0,1,0,0,1,0|1,0,0]=3
19  B10R0.31  CC(O)CC(=O)OC(C)(C)C CS20077 [0,1,0,0,1,0|0,0,2]=4
20  B10R1.61  CC(=O)C1CCCCC1=O CS21211 [1,0,0,1,0,0|1,0,0]=3
21  B10R1.205  C=C(C)C(=O)OCC1CO1 MC440518 [0,0,0,1,1,0|2,0,0]=4
22  B10R1.329  CC1(C)OC(=O)CC(=O)O1 MC20692 [0,0,0,1,1,0|1,0,0]=3
23  B12R1.354  COC(=O)C1CN(C)CCC1=O MC106885 [0,1,0,1,0,0|2,0,0]=4
24  B8R0.23  CC(C)OC(=O)C(C)N CS14281 [0,0,0,0,2,0|1,0,1]=4
25  B8R0.23  CC(C)OC(=O)C(C)N MC436161 [0,0,0,0,2,0|1,0,1]=4
26  B8R0.23  CC(C)OC(=O)C(C)N MC439194 [0,0,0,0,2,0|1,0,1]=4