0  B10R0.74  CCCCCCCC(=O)NO CS11097 [0,0,0,0,0,0|2,0,2]=4
1  B9R0.2  CCCCCCCC(=O)Cl MC40496 [1,0,0,0,0,0|1,0,2]=4
2  B9R0.2  CCCSCCCC(=O)O MC112372 [1,0,0,0,0,0|2,0,1]=4
3  B9R0.2  NCCCCCCC(=O)O CS10138 [1,0,0,0,0,0|2,0,1]=4
4  B9R0.2  O=C(O)CCCCCCO CS10820 [1,0,0,0,0,0|2,0,1]=4
5  B9R0.45  C#CCCCCCCCO MC424005 [1,0,0,0,0,0|1,0,2]=4
6  B9R0.45  C=COOOCCCCC MC438071 [1,0,0,0,0,0|3,0,0]=4
7  B9R0.45  CCCCCCCCNC CS15827 [1,0,0,0,0,0|1,0,1]=3
8  B9R0.45  ClCCCCCCCCCl CS20556 [1,0,0,0,0,0|2,0,1]=4
9  B9R0.45  OCCCCCCCCBr CS14609 [1,0,0,0,0,0|2,0,1]=4
10  B9R0.45  OCCCCCCCCO CS20567 [1,0,0,0,0,0|2,0,1]=4
11  B8R0.4  C#CCCCCCCO CS10833 [2,0,0,0,0,0|0,0,2]=4
12  B8R0.4  CCCCCOCCO MC437002 [2,0,0,0,0,0|1,0,0]=3
13  B8R0.4  CCCCNCCCC CS11229 [2,0,0,0,0,0|1,0,1]=4
14  B8R0.4  OCCCCCCCBr CS13415 [2,0,0,0,0,0|1,0,0]=3
15  B8R0.4  OCCCNCCCO CS21826 [2,0,0,0,0,0|2,0,0]=4
16  B8R0.7  CCCCCCB(O)O MC31067 [2,0,0,0,0,0|2,0,0]=4
17  B8R0.6  CCCCCC(O)CCl MC114490 [2,0,0,0,0,0|1,0,1]=4
18  B10R0.4  CCCCCCCCB(O)O MC31112 [1,1,0,0,0,0|2,0,0]=4
19  B10R0.4  CCCCCCCCC(C)C CS21688 [1,1,0,0,0,0|1,0,1]=4
20  B10R0.6  CCCCCC(C)CC(=O)O MC112327 [1,1,0,0,0,0|1,0,1]=4
21  B10R0.1  CCCCCCC(C)CCBr MC112334 [1,1,0,0,0,0|1,0,1]=4
22  B10R0.1  CCCCCCC(C)CCO MC112333 [1,1,0,0,0,0|1,0,1]=4
23  B10R0.71  BrCCCCCCCCCBr CS20559 [1,1,0,0,0,0|1,0,1]=4
24  B10R0.71  C=CCCCCCCCCBr CS20576 [1,1,0,0,0,0|0,0,0]=2
25  B10R0.71  C=COOOCCCCCC MC437734 [1,1,0,0,0,0|2,0,0]=4
26  B10R0.71  ClCCCCCCCCCCl CS20560 [1,1,0,0,0,0|1,0,1]=4
27  B12R0.251  CCCCCCCCC(N)C(=O)O MC428037 [0,2,0,0,0,0|2,0,0]=4
28  B10R1.10  CCCC1CCCC(O)C1 MC106169 [1,0,0,1,0,0|0,0,1]=3
29  B10R1.18  CC(O)CC1CCNCC1 MC111203 [1,0,0,1,0,0|1,0,1]=4
30  B10R1.18  O=C(O)CC1CCCCC1 CS10565 [1,0,0,1,0,0|1,0,1]=4
31  B10R1.348  O=C(O)C1CCCCCC1 CS20527 [1,0,0,1,0,0|1,0,1]=4
32  B10R1.17  ICCCC1CCCCC1 MC111977 [1,0,0,1,0,0|1,0,1]=4
33  B12R1.43  NC(=O)C(N)CC1CCCCC1 MC439318 [0,1,0,1,0,0|2,0,0]=4
34  B12R1.43  NC(CC1CCCCC1)C(=O)O CS21303 [0,1,0,1,0,0|2,0,0]=4
35  B12R1.43  NC(CC1CCCCC1)C(=O)O MC436871 [0,1,0,1,0,0|2,0,0]=4
36  B12R1.43  NC(CC1CCCCC1)C(=O)O MC436872 [0,1,0,1,0,0|2,0,0]=4