0  B7R0.1  BrCCCCCC#N ACS015641 [1,0,0,0,0,0|2,0,1]=4
1  B7R0.1  BrCCCCCCBr ACS010553 [1,0,0,0,0,0|2,0,1]=4
2  B7R0.1  C(CCCCC#C)O ACS011549 [1,0,0,0,0,0|2,0,1]=4
3  B9R0.46  C(C(CCCCCC)O)O ACS024597 [0,1,0,0,0,0|2,0,1]=4
4  B9R0.55  C(CCCCC(=O)Cl)(=O)Cl ACS013368 [0,1,0,0,0,0|2,0,1]=4
5  B9R1.6  C(C)(C)[C@H]1NCCOC1 ACS011999 [0,0,0,1,0,0|2,0,1]=4
6  B9R1.40  FC1(CNCCC1=O)F ACF023015 [0,0,0,1,0,0|3,0,0]=4
7  B9R1.40  FC1(CNCCC1=O)F ACF023017 [0,0,0,1,0,0|3,0,0]=4
8  B9R1.48  C1(CC(CCCC1)=O)=O ACS011955 [0,0,0,1,0,0|1,0,1]=3
9  B6R0.6  BrCCCCCBr ACS015667 [2,0,0,0,0,0|2,0,0]=4
10  B6R0.4  C(C)(C)NCCN ACS011159 [2,0,0,0,0,0|2,0,0]=4
11  B8R0.1  BrC(CCC)CCCC ACS024467 [1,1,0,0,0,0|1,0,1]=4
12  B8R1.2  BrCC1CCCCC1 ACS010448 [1,0,0,1,0,0|1,0,1]=4
13  B8R1.2  C1(CCCCC1)C=O ACS010444 [1,0,0,1,0,0|0,0,0]=2
14  B8R1.2  C1(CCCCC1)CN ACS011969 [1,0,0,1,0,0|1,0,1]=4
15  B8R1.2  C1(CCCCC1)CO ACS010446 [1,0,0,1,0,0|0,0,2]=4
16  B8R1.2  C1(CCCCC1)NN ACS019314 [1,0,0,1,0,0|2,0,0]=4
17  B8R1.2  C1(CCCCC1)NN ACS019315 [1,0,0,1,0,0|2,0,0]=4
18  B8R1.2  O1CC(CCC1)C=O ACS018957 [1,0,0,1,0,0|1,0,0]=3
19  B8R1.5  CN1C(CNCC1)=O ACS023988 [1,0,0,1,0,0|2,0,0]=4
20  B8R1.5  FC1CNCCC1=O ACF023013 [1,0,0,1,0,0|2,0,0]=4
21  B8R1.5  FC1CNCCC1=O ACF023014 [1,0,0,1,0,0|2,0,0]=4
22  B8R1.5  FC1COCCC1=O ACF022896 [1,0,0,1,0,0|2,0,0]=4
23  B8R1.5  F[C@@H]1CNCCC1=O ACF021609 [1,0,0,1,0,0|2,0,0]=4
24  B8R1.5  F[C@@H]1COCCC1=O ACF021595 [1,0,0,1,0,0|2,0,0]=4
25  B8R1.5  F[C@H]1CNCCC1=O ACF023403 [1,0,0,1,0,0|2,0,0]=4
26  B8R1.5  F[C@H]1COCCC1=O ACF021594 [1,0,0,1,0,0|2,0,0]=4
27  B8R1.4  CC1NCCC(C1)=O ACF023329 [1,0,0,1,0,0|1,0,0]=3
28  B8R1.4  C[C@@H]1NCCC(C1)=O ACF021329 [1,0,0,1,0,0|1,0,0]=3
29  B8R1.4  FC1CC(CCC1)=O ACF021887 [1,0,0,1,0,0|1,0,0]=3
30  B8R1.4  FC1CC(NCC1)C ACF021430 [1,0,0,1,0,0|2,0,0]=4
31  B8R1.4  NC1CC(CCC1)O ACS011505 [1,0,0,1,0,0|1,0,1]=4
32  B8R1.4  NC1CC(NCC1)=O ACF020997 [1,0,0,1,0,0|2,0,0]=4
33  B8R1.27  FC1(C(C1)CC=O)F ACF021791 [1,0,0,1,0,0|2,0,0]=4
34  B8R1.31  FC1C(CC1)C(C)O ACF023533 [1,0,0,1,0,0|2,0,0]=4
35  B10R1.61  C(C)(=O)C1C(CCCC1)=O ACS023923 [0,1,0,1,0,0|1,0,1]=4
36  B10R1.113  C[C@H]1C[C@@H](NCC1)C(=O)O ACS023712 [0,1,0,1,0,0|1,0,0]=3