0  B13R0.2  C(=C\CCC(=O)OCC)\CCCCC R277754 [0,0,0,0,0,0|0,0,0]=0
1  B13R0.2  CCCCCCCCCC(=O)CCC CDS000692 [0,0,0,0,0,0|1,0,2]=3
2  B12R0.248  CCCCCC#CCCC(=O)OC S884480 [1,0,0,0,0,0|0,0,2]=3
3  B12R0.248  CCCCCCCCCC(=O)CC CDS000235 [1,0,0,0,0,0|0,0,2]=3
4  B12R0.248  COC(=O)CCCCCCCCI T266353 [1,0,0,0,0,0|1,0,2]=4
5  B14R0.83  CCCCCCCCC(Br)C(=O)OCC S377406 [0,1,0,0,0,0|0,0,2]=3
6  B14R0.493  CCCCCCCCCC(=O)NCCO R594741 [0,1,0,0,0,0|1,0,2]=4
7  B11R0.3  CC/C=C/CCCCCCCC PH003558 [2,0,0,0,0,0|1,0,1]=4
8  B11R0.4  CCCCCC#CC(=O)OCC S414107 [2,0,0,0,0,0|0,0,2]=4
9  B11R0.4  CCCCCCCC(=O)CCC CDS001481 [2,0,0,0,0,0|1,0,0]=3
10  B11R0.4  CCCCCCCC(=O)OCCl PH007966 [2,0,0,0,0,0|1,0,0]=3
11  B11R0.4  CCOC(=O)CCCCCCO R174513 [2,0,0,0,0,0|1,0,0]=3
12  B11R0.148  CCCCCC#CCCC(=O)C S884901 [2,0,0,0,0,0|0,0,2]=4
13  B11R0.148  CCCCCC/C=C/CC(=O)O CDS000299 [2,0,0,0,0,0|0,0,2]=4
14  B13R0.275  CCCCCC/C=C(\C)/C(=O)OCC S884383 [1,1,0,0,0,0|0,0,2]=4
15  B13R0.275  CCCCCCCC(Br)C(=O)OCC PH006096 [1,1,0,0,0,0|0,0,1]=3
16  B15R0.366  CCOC(=O)CCCCCCCCCCBr S557498 [0,2,0,0,0,0|0,0,2]=4
17  B15R0.88  CCCCCCCCCC(=O)OCC(C)C CDS000575 [0,2,0,0,0,0|0,0,2]=4
18  B13R1.42  CCOC(=O)CCC1CCCCC1 R278807 [1,0,0,1,0,0|0,0,1]=3
19  B13R1.42  CCOC(=O)CCN1CCNCC1 CDS003594 [1,0,0,1,0,0|2,0,0]=4
20  B13R1.42  CCOC(=O)CCN1CCOCC1 S349437 [1,0,0,1,0,0|2,0,0]=4
21  B13R1.603  CCC1CCCCCCCCC1=O T168572 [1,0,0,1,0,0|1,0,1]=4
22  B13R1.654  CCCCCCCC1CCCC1=O S362212 [1,0,0,1,0,0|1,0,1]=4
23  B13R1.1575  C(=C\1/CCCCCN1)\C(=O)OCC T284157 [1,0,0,1,0,0|1,0,1]=4
24  B13R1.2851  CCCCCC1CC1C(=O)OCC T172472 [1,0,0,1,0,0|0,0,1]=3
25  B15R1.778  CCOC(=O)NCCCN1CCCCC1 PH013063 [0,1,0,1,0,0|1,0,1]=4
26  B15R2.74812  CCOC(=O)C1C2C1CCCCC=C2 T171409 [0,0,0,2,0,0|0,0,0]=2
27  B15R2.74812  CCOC(=O)C1C2C1CCCCCC2 T191620 [0,0,0,2,0,0|0,0,2]=4