0  B9R0.45  NCCOCCOCCO AC510905 [0,0,0,0,0,0|3,1,0]=4
1  B8R0.4  C=CCCCCCCI LN01331461 [1,0,0,0,0,0|1,0,2]=4
2  B10R0.4  CCCCCCCCB(O)O AC090129 [0,1,0,0,0,0|2,1,0]=4
3  B10R0.4  NCCCCCCCC(O)=O AC512135 [0,1,0,0,0,0|1,1,1]=4
4  B10R0.4  OC(=O)CCCCCCCBr AC511566 [0,1,0,0,0,0|1,1,1]=4
5  B10R0.71  ClCCCCCCCCCCl AC180012 [0,1,0,0,0,0|2,0,0]=3
6  B10R0.71  OCCCCCCCCCBr AC180572 [0,1,0,0,0,0|1,1,0]=3
7  B10R1.17  COCCC1CCCCN1 AC030024 [0,0,0,1,0,0|3,0,0]=4
8  B10R1.17  OCCCC1CCNCC1 AC181409 [0,0,0,1,0,0|2,1,0]=4
9  B10R1.17  OCCCN1CCCCC1 AC070122 [0,0,0,1,0,0|2,1,0]=4
10  B10R1.21  BrCCCCC1OCCO1 AC050684 [0,0,0,1,0,0|2,1,0]=4
11  B10R1.85  OCCN1CCCCCC1 AC020646 [0,0,0,1,0,0|2,1,0]=4
12  B7R0.1  NCCCCCCO AC511691 [2,0,0,0,0,0|1,1,0]=4
13  B7R0.1  NCCCNCCS AC330013 [2,0,0,0,0,0|2,0,0]=4
14  B11R0.148  OC(=O)CCCCCCCCBr AC510762 [0,2,0,0,0,0|1,1,0]=4
15  B11R0.3  BrCCCCCCCCCC=C AC220184 [0,2,0,0,0,0|2,0,0]=4
16  B11R0.3  C=CCCCCCCCCC=O AC220183 [0,2,0,0,0,0|1,1,0]=4
17  B11R0.3  CCCCCCCCCCC=O AC220085 [0,2,0,0,0,0|1,1,0]=4
18  B11R0.3  CCCCCCCCCCCO AC220073 [0,2,0,0,0,0|1,1,0]=4
19  B11R0.3  CCCCCCCCNCCN AC181689 [0,2,0,0,0,0|2,0,0]=4
20  B11R0.3  OCCCCCCCCCC=C AC220083 [0,2,0,0,0,0|1,1,0]=4
21  B9R1.5  CC1CCNCCC1O LN00001096 [1,0,0,1,0,0|1,1,0]=4
22  B9R1.8  C(CO)C1CCOCC1 LN00183595 [1,0,0,1,0,0|1,1,0]=4
23  B9R1.8  ClCCN1CCCCC1 AC500250 [1,0,0,1,0,0|2,0,0]=4
24  B9R1.8  N#CCC1CCCCC1 AC030191 [1,0,0,1,0,0|1,0,1]=4
25  B9R1.8  NCCC1CCOCC1 AC181428 [1,0,0,1,0,0|2,0,0]=4
26  B9R1.8  OCCC1CCCCN1 AC180119 [1,0,0,1,0,0|1,1,0]=4
27  B9R1.8  OCCC1CCCNC1 AC170080 [1,0,0,1,0,0|1,1,0]=4
28  B9R1.12  NCCCN1CCCC1 AC500100 [1,0,0,1,0,0|2,0,0]=4
29  B9R1.14  CCN1CCC[C@H]1CN AC180859 [1,0,0,1,0,0|2,0,0]=4
30  B9R1.33  CN1CCCC1CCO LN00185424 [1,0,0,1,0,0|1,1,0]=4
31  B9R1.50  O=C1CCCCCCC1 AC510797 [1,0,0,1,0,0|0,1,1]=4
32  B9R1.89  OC[C@@H]1CCCCCN1 AC020186 [1,0,0,1,0,0|1,1,0]=4
33  B11R1.28  OCCCCC1CCNCC1 AC050443 [0,1,0,1,0,0|1,1,0]=4
34  B11R1.28  OCCCCC1CCNCC1 AC050589 [0,1,0,1,0,0|1,1,0]=4