0  B9R0.2  NC(=O)CCCCCCO AC4329 [0,0,0,0,0,0|2,0,1]=3
1  B8R0.7  CN(C)CCCCCN D83961 [1,0,0,0,0,0|3,0,0]=4
2  B8R0.7  NCCOCCC(=O)O C72750 [1,0,0,0,0,0|3,0,0]=4
3  B10R0.4  C#CCCCCCCC(=O)O AT18741 [0,1,0,0,0,0|1,0,2]=4
4  B10R0.74  COC(=O)CCCCCCO W16829 [0,1,0,0,0,0|1,0,1]=3
5  B10R1.61  CC(=O)C1=C(Br)CCCC1 E70182 [0,0,0,1,0,0|1,0,1]=3
6  B10R1.61  CC(=O)C1CCCCC1F P18235 [0,0,0,1,0,0|1,0,1]=3
7  B10R1.61  N[C@H]1CCCC[C@@H]1C(=O)O D85978 [0,0,0,1,0,0|2,0,1]=4
8  B10R1.61  N[C@H]1CCCC[C@H]1C(=O)O Y13544 [0,0,0,1,0,0|2,0,1]=4
9  B10R1.348  O=C(O)[C@@H]1CCCCCN1 P19284 [0,0,0,1,0,0|2,0,1]=4
10  B10R1.348  O=C(O)[C@@H]1CCCCCN1 P20954 [0,0,0,1,0,0|2,0,1]=4
11  B7R0.4  CC(=O)OCCCO Y14698 [2,0,0,0,0,0|2,0,0]=4
12  B9R0.4  CCCC[C@H](N)CC(=O)O D85241 [1,1,0,0,0,0|1,0,1]=4
13  B9R0.4  CCCC[C@H](N)CC(=O)O D85242 [1,1,0,0,0,0|1,0,1]=4
14  B11R0.148  O=CCCCCCCCC(=O)O C74321 [0,2,0,0,0,0|1,0,1]=4
15  B11R0.4  CCOC(=O)CCCCCCCl AC9325 [0,2,0,0,0,0|1,0,1]=4
16  B9R1.8  C=CC[C@H]1CCCCN1 D81549 [1,0,0,1,0,0|1,0,1]=4
17  B9R1.8  C=CC[C@H]1CCCCN1 Y11433 [1,0,0,1,0,0|1,0,1]=4
18  B9R1.15  CN[C@H]1CCCCC1=O 79572 [1,0,0,1,0,0|1,0,1]=4
19  B9R1.33  COC[C@H]1CCCC1=O 79670 [1,0,0,1,0,0|1,0,1]=4
20  B9R1.2  CC[C@H]1CCCC(=O)N1 D96357 [1,0,0,1,0,0|1,0,1]=4
21  B9R1.41  N[C@H]1CCC[C@H]1C(=O)O 97382 [1,0,0,1,0,0|2,0,0]=4
22  B9R1.41  N[C@H]1CCC[C@H]1C(=O)O F12971 [1,0,0,1,0,0|2,0,0]=4
23  B11R1.271  CC(=O)OC[C@H]1CC[C@H]1CO AC9458 [0,1,0,1,0,0|1,0,1]=4
24  B11R1.222  COC(=O)C1=C(Br)CCCC1 AC8446 [0,1,0,1,0,0|1,0,1]=4
25  B11R1.222  COC(=O)[C@@H]1CCCC[C@@H]1N P19164 [0,1,0,1,0,0|1,0,1]=4
26  B11R1.178  O=C(O)C1CCCC1C(=O)O C12142 [0,1,0,1,0,0|2,0,0]=4
27  B11R2.1478  O=C1CCCC2(CCC2)C1 W18293 [0,0,0,2,0,0|0,0,2]=4
28  B11R2.703  O=C1CC2(CCCNC2)C1 D96593 [0,0,0,2,0,0|1,0,1]=4