0  B10R1.13  CC1CCC(C(C)C)CC1 MC428284 [0,0,1,0,0,0|0,0,2]=3
1  B10R1.13  CN(C)C1CCC(=O)CC1 MC429047 [0,0,1,0,0,0|2,0,0]=3
2  B10R1.13  CN(C)C1CCC(N)CC1 MC103148 [0,0,1,0,0,0|2,0,1]=4
3  B10R1.13  CN(C)C1CCC(O)CC1 CS18395 [0,0,1,0,0,0|2,0,1]=4
4  B10R1.61  CC(=O)C1CCCCC1=O CS21211 [0,0,1,0,0,0|2,0,1]=4
5  B10R1.83  CC1(C)C(N)CC1C(=O)O MC105078 [0,0,1,0,0,0|3,0,0]=4
6  B10R1.83  CC1(C)C(N)CC1C(=O)O MC105079 [0,0,1,0,0,0|3,0,0]=4
7  B10R1.83  CC1(C)C(N)CC1C(=O)O MC113164 [0,0,1,0,0,0|3,0,0]=4
8  B10R1.120  CC1(C)CC(=O)CCC1O MC110760 [0,0,1,0,0,0|2,0,0]=3
9  B9R1.1  CNC1CCC(=O)CC1 CS14610 [1,0,1,0,0,0|2,0,0]=4
10  B9R1.1  COC1CCC(=O)CC1 CS14437 [1,0,1,0,0,0|2,0,0]=4
11  B9R1.6  CC(C)C1CNCCO1 CS16451 [1,0,1,0,0,0|2,0,0]=4
12  B9R1.6  CC(C)C1CNCCO1 MC444036 [1,0,1,0,0,0|2,0,0]=4
13  B9R1.6  CC(C)C1CNCCO1 MC444059 [1,0,1,0,0,0|2,0,0]=4
14  B9R1.6  CC(C)C1COCCN1 MC20926 [1,0,1,0,0,0|2,0,0]=4
15  B9R1.6  CC(C)C1COCCN1 MC444041 [1,0,1,0,0,0|2,0,0]=4
16  B9R1.6  CC(C)C1COCCN1 MC444063 [1,0,1,0,0,0|2,0,0]=4
17  B9R1.6  CC(C)C1COCCN1 MC444288 [1,0,1,0,0,0|2,0,0]=4
18  B9R1.6  CC(C)N1CCNCC1 CS19740 [1,0,1,0,0,0|2,0,0]=4
19  B9R1.6  CN(C)C1CCNCC1 CS14539 [1,0,1,0,0,0|2,0,0]=4
20  B9R1.15  CCC1CNCCC1=O CS17950 [1,0,1,0,0,0|2,0,0]=4
21  B9R1.40  CC1(C)CNCCC1O CS12106 [1,0,1,0,0,0|2,0,0]=4
22  B9R1.66  CC1(C)CC(=O)CCO1 CS17870 [1,0,1,0,0,0|2,0,0]=4
23  B9R1.66  CC1(C)CCCC(=O)C1 MC10482 [1,0,1,0,0,0|1,0,0]=3
24  B11R1.166  CC1CCC(C(C)C)C(O)C1 CS11550 [0,1,1,0,0,0|0,0,2]=4
25  B11R1.166  CC1CCC(C(C)C)C(O)C1 MC41830 [0,1,1,0,0,0|0,0,2]=4
26  B11R1.166  CC1CCC(C(C)C)C(O)C1 MC41843 [0,1,1,0,0,0|0,0,2]=4
27  B11R1.854  COC(=O)C1CC(N)C1(C)C MC105075 [0,1,1,0,0,0|2,0,0]=4
28  B11R1.854  COC(=O)C1CC(N)C1(C)C MC105077 [0,1,1,0,0,0|2,0,0]=4
29  B11R1.854  COC(=O)C1CC(O)C1(C)C MC103823 [0,1,1,0,0,0|2,0,0]=4
30  B11R1.854  COC(=O)C1CC(O)C1(C)C MC103824 [0,1,1,0,0,0|2,0,0]=4
31  B11R1.854  COC(=O)C1CC(O)C1(C)C MC105076 [0,1,1,0,0,0|2,0,0]=4
32  B13R2.12966  C12CC(O)C(C)(O)C(C1)C2(C)C MC20705 [0,2,0,0,0,0|0,0,2]=4
33  B13R2.12966  CC1(C)C2CC(O)C(C)(O)C1C2 CS13870 [0,2,0,0,0,0|0,0,2]=4
34  B11R2.34  O=C1CCC(C2CC2)CC1 MC105704 [0,0,1,1,0,0|1,0,0]=3
35  B11R2.34  O=C1CCN(C2CC2)CC1 CS15373 [0,0,1,1,0,0|2,0,0]=4
36  B9R2.95  CC1(C)C2CNCC21 MC444399 [1,0,0,0,1,0|1,0,1]=4
37  B9R2.95  CC1(C)C2CNCC21 MC444400 [1,0,0,0,1,0|1,0,1]=4
38  B11R2.63  CN1C2CCC(=O)C1CC2 MC104851 [1,0,0,0,0,1|2,0,0]=4