0  B8R0.6  C=CC(=O)OCCCC C10921 [0,0,1,0,0,0|0,0,2]=3
1  B8R0.6  CCCCCC(=O)CC C17145 [0,0,1,0,0,0|1,0,0]=2
2  B8R0.6  CCCCCC(=O)NC C02722 [0,0,1,0,0,0|2,0,0]=3
3  B8R0.6  CCCCCC(O)CC C17144 [0,0,1,0,0,0|1,0,2]=4
4  B8R0.6  [*]SC(=O)CCCCC C05749 [0,0,1,0,0,0|3,0,0]=4
5  B8R0.7  CC(=O)NCCCCN C02714 [0,0,1,0,0,0|3,0,0]=4
6  B8R0.7  CCCCCCC(=O)O C17714 [0,0,1,0,0,0|0,0,0]=1
7  B8R0.7  NCCCCCC(=O)O C02378 [0,0,1,0,0,0|1,0,0]=2
8  B8R0.7  NCCCCNC(N)=O C00436 [0,0,1,0,0,0|3,0,0]=4
9  B8R0.7  O=C(O)CCCCCO C06103 [0,0,1,0,0,0|1,0,0]=2
10  B8R0.7  O=CCCCCC(=O)O C06102 [0,0,1,0,0,0|1,0,1]=3
11  B10R1.1  CCC[C@H]1CC[C@H](O)CN1 C10168 [0,0,0,0,0,1|1,0,2]=4
12  B7R0.1  CCCCCCC=O C14390 [1,0,1,0,0,0|0,0,0]=2
13  B7R0.1  CCCCCCCC C01387 [1,0,1,0,0,0|1,0,1]=4
14  B7R0.1  CCCCOCCO C19355 [1,0,1,0,0,0|1,0,1]=4
15  B7R0.2  [*]CC([*])OC(C)=O C12282 [1,0,1,0,0,0|2,0,0]=4
16  B7R0.4  CCCCCC(=O)O C01585 [1,0,1,0,0,0|0,0,0]=2
17  B7R0.4  CCCCCC(C)=O C08380 [1,0,1,0,0,0|1,0,0]=3
18  B7R0.4  CCCCOC(C)=O C12304 [1,0,1,0,0,0|0,0,0]=2
19  B7R0.4  CNCCCC(=O)O C15987 [1,0,1,0,0,0|1,0,0]=3
20  B7R0.4  NCCCCC(=O)O C00431 [1,0,1,0,0,0|1,0,0]=3
21  B7R0.4  NCCCCC(N)=O C00990 [1,0,1,0,0,0|2,0,0]=4
22  B7R0.4  O=C(O)CCCCO C02804 [1,0,1,0,0,0|1,0,0]=3
23  B7R0.4  O=CCCCC(=O)O C03273 [1,0,1,0,0,0|1,0,1]=4
24  B7R0.4  [*]CCCCC(=O)[O-] C03129 [1,0,1,0,0,0|1,0,1]=4
25  B7R1.2  O=C1CCC(=O)O1 C19524 [2,0,0,0,0,0|1,0,1]=4
26  B9R0.14  [*]OC[C@H](CO)OC(C)=O C03820 [0,1,1,0,0,0|2,0,0]=4
27  B9R0.2  CCCCCCCC(=O)O C06423 [0,1,1,0,0,0|0,0,0]=2
28  B9R0.2  O=C(O)CCCCCCS C16593 [0,1,1,0,0,0|0,0,0]=2
29  B9R0.2  O=CCCCCCC(=O)O C16590 [0,1,1,0,0,0|0,0,1]=3
30  B9R0.55  CC(=O)NCCCC(=O)O C02946 [0,1,1,0,0,0|1,0,1]=4
31  B9R0.55  O=C(O)CCCCC(=O)O C06104 [0,1,1,0,0,0|1,0,1]=4
32  B9R0.55  O=C(O)CCCCC(=O)O C13811 [0,1,1,0,0,0|1,0,1]=4
33  B9R1.22  O=C1C[C@H](O)[C@@H](CO)O1 C02674 [1,1,0,0,0,0|1,0,0]=3
34  B9R1.125  CCC1(C)COC(=O)C1 C13717 [1,1,0,0,0,0|2,0,0]=4
35  B11R1.27  CCCCC[C@H]1CCC(=O)O1 C08501 [0,2,0,0,0,0|0,0,0]=2
36  B9R1.5  CC1CCCCOC1=O C10976 [0,0,1,1,0,0|0,0,0]=2
37  B9R1.5  N[C@@H]1CCCCNC1=O C05328 [0,0,1,1,0,0|2,0,0]=4
38  B9R1.5  N[C@H]1CCCCNC1=O C02837 [0,0,1,1,0,0|2,0,0]=4
39  B9R1.5  O=C1OCCCCC1O C12314 [0,0,1,1,0,0|1,0,0]=3
40  B9R1.6  NC(=O)[C@@H]1CCCCN1 C19809 [0,0,1,1,0,0|2,0,0]=4
41  B9R1.6  O=C(O)C1=CCCCC1 C12101 [0,0,1,1,0,0|0,0,2]=4
42  B9R1.6  O=C(O)C1=NCCCC1 C04092 [0,0,1,1,0,0|1,0,1]=4
43  B9R1.6  O=C(O)C1CCCCC1 C09822 [0,0,1,1,0,0|0,0,0]=2
44  B9R1.6  O=C(O)C1CSCCN1 C03901 [0,0,1,1,0,0|2,0,0]=4
45  B9R1.6  O=C(O)[C@@H]1CCCC=N1 C00450 [0,0,1,1,0,0|1,0,1]=4
46  B9R1.6  O=C(O)[C@@H]1CCCCN1 C00408 [0,0,1,1,0,0|1,0,0]=3
47  B9R1.6  O=C(O)[C@@H]1CNCCN1 C19783 [0,0,1,1,0,0|2,0,0]=4
48  B9R1.6  O=C(O)[C@H]1CNCCN1 C19780 [0,0,1,1,0,0|2,0,0]=4
49  B11R2.1  [C@@H]12CCCCN1CCC2=O C16697 [0,1,0,1,0,0|2,0,0]=4
50  B7R0.5  CCC[C@@H](N)C(=O)O C01799 [0,0,1,0,1,0|2,0,0]=4
51  B7R0.5  CCC[C@H](N)C(=O)O C01826 [0,0,1,0,1,0|2,0,0]=4