0  B13R0.2  CCCCCC=CC=CC(=O)OCC TS53725 [1,0,0,0,0,0|0,0,3]=4
1  B13R0.2  CCCCCC=CCCC(=O)OCC TS18678 [1,0,0,0,0,0|0,0,1]=2
2  B13R0.2  CCCCCC=CCOC(=O)CCC TS54083 [1,0,0,0,0,0|2,0,1]=4
3  B13R0.2  CCCCCCCC=CC(=O)OCC TS54088 [1,0,0,0,0,0|0,0,3]=4
4  B13R0.2  CCCCCCCCCC(=O)CCC TS54094 [1,0,0,0,0,0|1,0,1]=3
5  B13R0.2  CCCCCCCCCC(=O)OC=C TS54076 [1,0,0,0,0,0|0,0,3]=4
6  B13R0.2  CCCCCCCCCC(=O)OCC TS19068 [1,0,0,0,0,0|0,0,1]=2
7  B13R0.2  CCOC(=O)CCCCCCCCBr TS68924 [1,0,0,0,0,0|1,0,1]=3
8  B13R0.338  CCCCCC(=O)OCC=CCCC TS54087 [1,0,0,0,0,0|2,0,1]=4
9  B13R0.338  CCCCCC(=O)OCCC=CCC TS18680 [1,0,0,0,0,0|2,0,0]=3
10  B13R0.338  CCCCCCOC(=O)CCCCC TS37961 [1,0,0,0,0,0|2,0,1]=4
11  B15R0.410  CCOC(=O)CCCC(=O)CC(=O)OCC TS52993 [0,1,0,0,0,0|1,0,1]=3
12  B12R0.1  CCCCCCC#CC(=O)OCC TS48315 [2,0,0,0,0,0|0,0,2]=4
13  B12R0.1  CCCCCCCCC(=O)CCC TS48635 [2,0,0,0,0,0|1,0,0]=3
14  B12R0.1  CCCCCCCCC(=O)OCC TS48949 [2,0,0,0,0,0|0,0,0]=2
15  B12R0.1  CCCCCCCOC(=O)CCC TS48955 [2,0,0,0,0,0|2,0,0]=4
16  B12R0.1  CCOC(=O)CCCCCCCBr TS56136 [2,0,0,0,0,0|1,0,0]=3
17  B12R0.1  CCOC(=O)CCCCCCCCl TS20295 [2,0,0,0,0,0|1,0,0]=3
18  B12R0.248  CCCCC=CCCOC(=O)CC TS48616 [2,0,0,0,0,0|1,0,1]=4
19  B12R0.248  CCCCCCCCCC(=O)CC TS15346 [2,0,0,0,0,0|0,0,1]=3
20  B12R0.248  CCCCCCCCCC(=O)OC TS48954 [2,0,0,0,0,0|0,0,1]=3
21  B12R0.248  COC(=O)CCCCCCCCO TS50771 [2,0,0,0,0,0|1,0,1]=4
22  B12R0.206  CCCCC(=O)OCCC=CCC TS15330 [2,0,0,0,0,0|2,0,0]=4
23  B12R0.206  CCCCCCCC(=O)CCCC TS48633 [2,0,0,0,0,0|1,0,1]=4
24  B12R0.285  CCOC(=O)CCCC(=O)OCC TS15979 [2,0,0,0,0,0|1,0,0]=3
25  B12R0.285  CCOC(=O)CNCC(=O)OCC TS50902 [2,0,0,0,0,0|2,0,0]=4
26  B12R0.47  CCCCCC(=O)OCCCCC TS48950 [2,0,0,0,0,0|1,0,1]=4
27  B12R0.47  CCCCCCC(=O)CCCCC TS48646 [2,0,0,0,0,0|0,0,1]=3
28  B14R0.83  CCCCCCCCC(C(=O)OCC)Br TS54216 [1,1,0,0,0,0|0,0,1]=3
29  B14R0.391  CCCCCCCCCC(=O)OC(C)C TS21751 [1,1,0,0,0,0|0,0,1]=3
30  B14R0.393  CCCCCCCCC#CC(=O)OCC TS20982 [1,1,0,0,0,0|0,0,2]=4
31  B14R0.393  CCCCCCCCCCC(=O)CCC TS44249 [1,1,0,0,0,0|1,0,1]=4
32  B14R0.393  CCCCCCCCCCC(=O)OCC TS21753 [1,1,0,0,0,0|0,0,1]=3
33  B14R0.393  CCOC(=O)CCCCCCCCC=C TS44232 [1,1,0,0,0,0|0,0,2]=4
34  B14R0.493  CCCCCCCCCC(=O)CCCC TS21386 [1,1,0,0,0,0|1,0,1]=4
35  B14R0.493  CCCCCCCCCC(=O)OCCC TS21745 [1,1,0,0,0,0|0,0,1]=3
36  B14R0.33  CCOC(=O)CCC(=O)CC(=O)OCC TS22024 [0,1,0,0,1,0|1,0,1]=4
37  B16R0.208  CCCCOC(=O)CSCC(=O)OCCCC TS29826 [0,2,0,0,0,0|2,0,0]=4
38  B14R1.216  CCCCCC=CCC1CCCC1=O TS51910 [1,0,0,1,0,0|1,0,1]=4
39  B14R1.4408  C1CCCCCC(=O)NCCCCC1 TS18492 [1,0,0,1,0,0|1,0,1]=4
40  B12R0.101  CCCCC(C)CCC(=O)OCC TS48956 [1,0,0,0,1,0|1,0,1]=4