0  B13R1.6  CCCCCCC1CCCC(=O)O1 JZ4144 [1,0,0,0,0,0|0,0,0]=1
1  B13R0.2  CCCCCCC\C=C\C(=O)OCC JZ3093 [0,0,1,0,0,0|2,0,1]=4
2  B13R0.2  CCOC(=O)CCCCCCCCO RT0061 [0,0,1,0,0,0|3,0,0]=4
3  B13R0.54  CCCCCCCCCCCC(=O)O HL1568 [0,0,1,0,0,0|0,0,0]=1
4  B13R0.54  CCCCCCCCCCCC(C)O HL0961 [0,0,1,0,0,0|1,0,1]=3
5  B13R0.54  O=C(O)CCCCCCCCCCBr HL2405 [0,0,1,0,0,0|1,0,0]=2
6  B13R0.274  CCCCCCCC(O)CC(=O)OC RT0619 [0,0,1,0,0,0|3,0,0]=4
7  B13R0.274  CCCCCCC[C@@H](O)CC(=O)OC RT13908 [0,0,1,0,0,0|3,0,0]=4
8  B13R1.27  CCCCCCCC1CCC(=O)O1 XJ0285 [0,0,0,0,1,0|0,0,0]=1
9  B13R1.654  CCCCCCCC1CCCC1=O LL0577 [0,0,0,0,1,0|0,0,0]=1
10  B12R0.1  CCCCCCCCC(=O)OCC XJ0502 [1,0,1,0,0,0|1,0,0]=3
11  B12R0.1  CCCCCCCCC(O)CCC XJ3565 [1,0,1,0,0,0|0,0,2]=4
12  B12R0.5  C=CCCCCCCCCCCC XJ2168 [1,0,1,0,0,0|1,0,0]=3
13  B12R0.5  CCCCCCCCCCCCBr YH34518 [1,0,1,0,0,0|1,0,1]=4
14  B12R0.5  CCCCCCCCCCCCC LQ1259 [1,0,1,0,0,0|1,0,1]=4
15  B12R0.5  CCCCCCCCCCCCI LQ2652 [1,0,1,0,0,0|1,0,1]=4
16  B12R0.5  CCCCCCCCCCCCO HL1399 [1,0,1,0,0,0|0,0,1]=3
17  B12R0.5  CCCCCCCCCCCCS HL1401 [1,0,1,0,0,0|0,1,1]=4
18  B12R0.5  CCCCCCCCCCCC[NH3+] LQ1538 [1,0,1,0,0,0|1,0,1]=4
19  B12R0.5  OCCCCCCCCCCCBr XJ1851 [1,0,1,0,0,0|1,0,1]=4
20  B12R0.5  SCCCCCCCCCCCO YH16408 [1,0,1,0,0,0|1,0,1]=4
21  B12R0.248  CCCCCCCCCC(=O)OC LL0419 [1,0,1,0,0,0|2,0,0]=4
22  B12R0.248  CCCCCCCCOC(=O)CN XJ5365 [1,0,1,0,0,0|1,0,0]=3
23  B12R0.234  C#CCCCCCCCCC(=O)O HL2349 [1,0,1,0,0,0|0,0,2]=4
24  B12R0.234  CC#CCCCCCCCC(=O)O RT1130 [1,0,1,0,0,0|0,0,2]=4
25  B12R0.234  CCCCCCCCCCC(=O)Cl JZ5190 [1,0,1,0,0,0|1,0,0]=3
26  B12R0.234  CCCCCCCCCCC(=O)O HL1386 [1,0,1,0,0,0|0,0,0]=2
27  B12R0.234  CCCCCCCCCOC(C)=O HL1571 [1,0,1,0,0,0|2,0,0]=4
28  B12R0.234  O=C(O)CCCCCCCCCBr XJ5510 [1,0,1,0,0,0|1,0,0]=3
29  B12R0.234  O=C(O)CCCCCCCCCO LQ1891 [1,0,1,0,0,0|1,0,0]=3
30  B14R0.68  O=C(O)CCCCCCCCCC(=O)O HL2030 [0,1,1,0,0,0|1,0,1]=4
31  B14R0.88  CCCCCCCCCCCS(=O)(=O)[O-] HL3045 [0,1,1,0,0,0|1,0,1]=4
32  B14R0.337  CCCCCCCCCCCC(=O)NC XJ4943 [0,1,1,0,0,0|1,0,0]=3
33  B14R0.337  CCCCCCCCCCCC(=O)NN HL2927 [0,1,1,0,0,0|1,0,0]=3
34  B14R0.337  CCCCCCCCCCCC(=O)OC XJ0420 [0,1,1,0,0,0|0,0,0]=2
35  B14R0.340  CCCCCCCCCC[C@H](N)C(=O)O SY0021 [0,1,1,0,0,0|0,0,0]=2
36  B14R0.394  CCCCCCCCCCCCB(O)O HL2487 [0,1,1,0,0,0|1,0,1]=4
37  B14R0.394  CCCCCCCCCCCCC(C)=O LQ2120 [0,1,1,0,0,0|1,0,0]=3
38  B14R0.394  NCCCCCCCCCCCC(=O)O LQ1337 [0,1,1,0,0,0|0,0,0]=2
39  B12R1.372  CCCCCCC1=CCCC1=O LQ0270 [1,0,0,0,1,0|0,0,2]=4
40  B12R1.372  CCCCCCN1CCCC1=O JZ2638 [1,0,0,0,1,0|1,0,0]=3