0 B10R0.74 C=CC(=O)OCCCCCC H12008 [0,0,0,0,0,0|2,0,2]=4 1 B10R0.74 CCCCCCCC(=O)CC D89798 [0,0,0,0,0,0|1,0,2]=3 2 B10R0.74 CCCCC\C=C\C(=O)OC D91565 [0,0,0,0,0,0|0,0,0]=0 3 B9R0.2 CCCCCCC[13C](=O)O 41418 [1,0,0,0,0,0|0,0,2]=3 4 B9R0.2 CCCCCCC[13C](=O)[O-] 41397 [1,0,0,0,0,0|0,0,3]=4 5 B9R0.2 CCCCC\C=C\C(=O)O D91783 [1,0,0,0,0,0|0,0,0]=1 6 B9R0.2 CCCCC\C=C\C(C)=O D91739 [1,0,0,0,0,0|0,0,0]=1 7 B9R0.2 CCCC\C=C\CC(=O)O D84200 [1,0,0,0,0,0|0,0,2]=3 8 B9R0.45 CCCCCC\C=C\CO D91737 [1,0,0,0,0,0|2,0,1]=4 9 B9R0.45 CCCCC\C=C/CCO D91738 [1,0,0,0,0,0|2,0,1]=4 10 B9R0.46 CCCCCCC(=O)CC D91660 [1,0,0,0,0,0|1,0,1]=3 11 B9R0.46 COC(=O)COCCCBr AC2376 [1,0,0,0,0,0|2,0,1]=4 12 B11R0.4 CCCCCCCC(=O)CCC D92758 [0,1,0,0,0,0|1,0,2]=4 13 B11R0.40 CCCCCCCCC(=O)CC D92753 [0,1,0,0,0,0|1,0,2]=4 14 B11R0.42 C=C(C)C(=O)OCCCCCC D97858 [0,1,0,0,0,0|2,0,1]=4 15 B11R1.25 COC(=O)\C=C\N1CCCC1 37300 [0,0,0,1,0,0|1,0,0]=2 16 B11R1.40 CCC(=O)OC1CCCCC1 D91966 [0,0,0,1,0,0|2,0,1]=4 17 B11R1.40 COC(=O)NC1CCNCC1 AT23019 [0,0,0,1,0,0|2,0,1]=4 18 B11R1.59 CCC1=NNC=C1C(=O)OC O11911 [0,0,0,1,0,0|2,0,1]=4 19 B11R1.59 CCC1=NOC=C1C(=O)OC AC4147 [0,0,0,1,0,0|2,0,1]=4 20 B11R1.59 CCN1C=CC=C1C(=O)OC AT25271 [0,0,0,1,0,0|1,0,2]=4 21 B8R0.4 CCCCCC\C=C\I AT25372 [2,0,0,0,0,0|1,0,1]=4 22 B8R0.4 CCC\C=C/CCCC D91694 [2,0,0,0,0,0|1,0,1]=4 23 B8R0.4 CCC\C=C\CCCC D91695 [2,0,0,0,0,0|1,0,1]=4 24 B8R0.4 CC\C=C/CCCCO D91845 [2,0,0,0,0,0|1,0,1]=4 25 B8R0.4 C\C=C\CCCCCC D91716 [2,0,0,0,0,0|0,0,1]=3 26 B8R0.7 CC(=O)NCCCCN H12005 [2,0,0,0,0,0|2,0,0]=4 27 B8R0.7 CCCC\C=C\C(C)=O D91847 [2,0,0,0,0,0|0,0,0]=2 28 B8R0.7 CCC\C=C/CC(=O)O D90865 [2,0,0,0,0,0|0,0,2]=4 29 B8R0.6 CCCSCC(=O)OC 35926 [2,0,0,0,0,0|1,0,0]=3 30 B10R0.3 CCC[C@H](C)CCOC(C)=O T70972 [1,1,0,0,0,0|1,0,1]=4 31 B10R0.4 CCCCCC\C=C\C(C)=O 74304 [1,1,0,0,0,0|0,0,0]=2 32 B10R0.4 CCCCC\C=C\CC(=O)O T72443 [1,1,0,0,0,0|0,0,0]=2 33 B10R0.4 CCCC\C=C\COC(C)=O D88386 [1,1,0,0,0,0|0,0,2]=4 34 B10R0.4 NCCCCCCCC(=O)O 52149 [1,1,0,0,0,0|0,0,2]=4 35 B10R0.6 CCCCOC(=O)CC(C)=O D88325 [1,1,0,0,0,0|1,0,1]=4 36 B10R0.75 CCCCCC[C@H](Br)C(=O)O D88671 [1,1,0,0,0,0|0,0,2]=4 37 B10R0.71 C=C\C=C\C=C\CCCCC D92769 [1,1,0,0,0,0|1,0,1]=4 38 B10R0.71 CCCCC\C=C\C=C\CO D89948 [1,1,0,0,0,0|1,0,0]=3 39 B12R0.1 CCCCCCC#CC(=O)OCC D91743 [0,2,0,0,0,0|0,0,2]=4 40 B12R0.4 CCCCCCCC(=O)OC(C)C D91821 [0,2,0,0,0,0|0,0,2]=4 41 B10R1.18 CC(=O)CN1CCCCC1 F30142 [1,0,0,1,0,0|1,0,1]=4 42 B10R1.61 CC1CCCCC1C(=O)O 71078 [1,0,0,1,0,0|0,0,2]=4 43 B10R1.66 O=C(O)CSC1CCCC1 W18221 [1,0,0,1,0,0|1,0,1]=4 44 B10R1.21 CCCCCC1=CSC=C1 S12032 [1,0,0,1,0,0|0,1,1]=4 45 B10R1.15 COC(=O)C1=CCCNC1 F14151 [1,0,0,1,0,0|1,0,0]=3 46 B10R1.15 COC(=O)N1CCCCC1 64308 [1,0,0,1,0,0|1,0,0]=3 47 B10R1.15 COC(=O)[C@@H]1CCCCN1 25044 [1,0,0,1,0,0|1,0,1]=4 48 B10R1.27 COC(=O)C[C@H]1CCNC1 AT16117 [1,0,0,1,0,0|1,0,1]=4 49 B10R1.149 COC(=O)C1=C(N)CCC1 S10370 [1,0,0,1,0,0|1,0,1]=4 50 B10R1.149 COC(=O)C1CCCC1O S10371 [1,0,0,1,0,0|1,0,1]=4 51 B12R1.32 CCOC(=O)CC1CCCCC1 D89353 [0,1,0,1,0,0|0,0,2]=4 52 B12R1.108 COC(=O)[C@@H](N)CC1CCCC1 67521 [0,1,0,1,0,0|0,0,2]=4