0 B11R0.3 CCCCCCCCCCCI DY740761 [0,0,0,0,0,0|1,0,0]=1 1 B11R0.3 CCCCCCCC\C=C\CO DY740917 [0,0,0,0,0,0|0,0,2]=2 2 B11R0.3 FCCCCCCCCCCF DY822304 [0,0,0,0,0,0|2,0,0]=2 3 B11R0.3 OCCCCCCCCCCF DY822297 [0,0,0,0,0,0|1,0,0]=1 4 B10R0.71 BrCCCCCCCCCBr NO20559 [1,0,0,0,0,0|2,0,0]=3 5 B10R0.71 C=CCCCCCCCCBr NO20576 [1,0,0,0,0,0|1,0,2]=4 6 B10R0.71 CCCCCCCCCCBr DY822469 [1,0,0,0,0,0|1,0,0]=2 7 B10R0.71 COCCOCCOCCO DY457564 [1,0,0,0,0,0|3,0,0]=4 8 B10R0.71 ClCCCCCCCCCCl NO20560 [1,0,0,0,0,0|2,0,0]=3 9 B10R0.71 ClCCCCOCCCCCl DY21038 [1,0,0,0,0,0|3,0,0]=4 10 B10R0.71 OCCCCCCCCCF DY822296 [1,0,0,0,0,0|1,0,0]=2 11 B10R0.71 OCCCCNCCCCO DY572229 [1,0,0,0,0,0|2,0,0]=3 12 B10R0.71 OCCOCCCOCCO DY739733 [1,0,0,0,0,0|3,0,0]=4 13 B12R0.1 CCOC(=O)CCCCCCCBr NO14864 [0,1,0,0,0,0|2,0,1]=4 14 B12R0.5 C#CCCCCCCCCCCN DY520719 [0,1,0,0,0,0|1,0,1]=3 15 B12R0.5 CCCCCCCOCCCC=O DY584466 [0,1,0,0,0,0|0,0,2]=3 16 B12R0.5 CCC\C=C\CCCCCCCO DY822246 [0,1,0,0,0,0|0,0,1]=2 17 B12R0.5 NCCOCCOCCOCCO NO20595 [0,1,0,0,0,0|3,0,0]=4 18 B12R0.5 OCCCCCCCCCCCBr DY10312 [0,1,0,0,0,0|0,0,0]=1 19 B12R0.5 OCCCCCCCCCCCO NO15877 [0,1,0,0,0,0|0,0,0]=1 20 B12R0.5 OCCOCCOCCOCCI DY519909 [0,1,0,0,0,0|3,0,0]=4 21 B12R0.248 CCCCCCCCCC(=O)OC DY506166 [0,1,0,0,0,0|2,0,1]=4 22 B12R1.8 BrCCCCCN1CCCCC1 DY775444 [0,0,0,1,0,0|2,0,0]=3 23 B12R1.8 OCCCCCN1CCCCC1 DY638980 [0,0,0,1,0,0|1,0,0]=2 24 B12R1.8 OCCOCCN1CCNCC1 NO10589 [0,0,0,1,0,0|3,0,0]=4 25 B12R1.8 OCCOCCN1CCOCC1 DY731869 [0,0,0,1,0,0|3,0,0]=4 26 B12R1.267 CN1CCCCC1CNCCO DY634548 [0,0,0,1,0,0|2,0,0]=3 27 B12R1.1414 CNCCCN1CCCCCC1 DY602518 [0,0,0,1,0,0|3,0,0]=4 28 B9R0.45 CCCCCCCCCI DY795411 [2,0,0,0,0,0|1,0,0]=3 29 B9R0.45 CCCCCCCCNC NO15827 [2,0,0,0,0,0|1,0,0]=3 30 B9R0.45 ClCCCCCCCCCl NO20556 [2,0,0,0,0,0|2,0,0]=4 31 B9R0.45 FCCCCCCCCF DY822303 [2,0,0,0,0,0|2,0,0]=4 32 B9R0.45 OCCCCCCCCBr NO14609 [2,0,0,0,0,0|1,0,0]=3 33 B9R0.45 OCCCCCCCCCl DY543033 [2,0,0,0,0,0|1,0,0]=3 34 B9R0.45 OCCCCCCCCF DY822295 [2,0,0,0,0,0|1,0,0]=3 35 B9R0.45 OCCCCCCCCO NO20567 [2,0,0,0,0,0|1,0,0]=3 36 B11R0.4 CCCCCCCC(=O)OCC NO14101 [1,1,0,0,0,0|1,0,1]=4 37 B13R0.2 CCCCCCCCCC(=O)OCC DY460560 [0,2,0,0,0,0|1,0,1]=4 38 B13R0.335 CCCCCCCCC(O)CC(=O)O DY553227 [0,2,0,0,0,0|0,0,1]=3 39 B13R0.54 CCCCCCCCCCCC(=O)[O-] DY822631 [0,2,0,0,0,0|0,0,1]=3 40 B13R0.54 CCCCCCCCCCCC(=O)[O-] DY822967 [0,2,0,0,0,0|0,0,1]=3 41 B13R0.54 CCCCCCCCCCCC(C)=O DY562239 [0,2,0,0,0,0|0,0,1]=3 42 B13R0.54 CCCCCCCCCCNC(N)=S DY793479 [0,2,0,0,0,0|0,1,1]=4 43 B13R0.54 CCCCCCCCCCOC(=O)Cl DY461286 [0,2,0,0,0,0|0,0,2]=4 44 B13R0.147 CCC(I)CCCCCCCCCI DY792015 [0,2,0,0,0,0|1,0,0]=3 45 B13R0.165 CCCCCCC(=O)CCCCCC DY822782 [0,2,0,0,0,0|1,0,0]=3 46 B13R0.336 BrCCCCCCCCCCCCBr DY549297 [0,2,0,0,0,0|1,0,0]=3 47 B13R0.336 CNCCOCCOCCOCCO DY739781 [0,2,0,0,0,0|2,0,0]=4 48 B13R0.336 COCCOCCOCCOCCO NO21327 [0,2,0,0,0,0|2,0,0]=4 49 B13R0.336 NCCCCCCCCCCCCN DY546015 [0,2,0,0,0,0|1,0,0]=3 50 B13R0.336 NCCCNCCCCNCCCN DY568389 [0,2,0,0,0,0|2,0,0]=4 51 B13R0.150 CCCCCCCCC[C@@H](N)C(=O)O DY628083 [0,2,0,0,0,0|0,0,1]=3 52 B11R1.17 CCCN[C@@H]1CCCC[C@H]1O DY604725 [1,0,0,1,0,0|1,0,0]=3 53 B11R1.17 CCNCC1CCCCN1C DY640387 [1,0,0,1,0,0|2,0,0]=4 54 B11R1.28 NCCCCC1CCCCC1 DY795543 [1,0,0,1,0,0|1,0,0]=3 55 B11R1.28 NCCCNC1CCCCC1 DY549057 [1,0,0,1,0,0|2,0,0]=4 56 B11R1.28 NCCCOC1CCCCC1 DY606105 [1,0,0,1,0,0|2,0,0]=4 57 B11R1.180 CN1CCC[C@H]1CNCCO DY623982 [1,0,0,1,0,0|2,0,0]=4 58 B11R1.203 CCCCN1CCCNCC1 DY685127 [1,0,0,1,0,0|2,0,0]=4 59 B13R1.42 CCCC(C)NCC1CCCCC1 DY609770 [0,1,0,1,0,0|2,0,0]=4 60 B13R1.42 CN(CCO)CCC1CCCCN1 DY635606 [0,1,0,1,0,0|2,0,0]=4 61 B13R1.654 CCCCCCCN1CCCC1=O DY797601 [0,1,0,1,0,0|0,0,2]=4 62 B13R1.28 CCCCCCCC1CCCCC1 DY756937 [0,1,0,1,0,0|1,0,0]=3 63 B13R1.28 OCCOCCOC1CCCCO1 DY540825 [0,1,0,1,0,0|2,0,0]=4 64 B13R1.1887 NCCCCCC1CCCCCN1 DY743635 [0,1,0,1,0,0|1,0,0]=3 65 B13R1.27 CCCCCCCC1CCC(=O)O1 DY503703 [0,1,0,1,0,0|0,0,1]=3 66 B13R1.380 CC(C)CN1CCCCC1CCN DY602779 [0,1,0,1,0,0|2,0,0]=4 67 B13R1.1022 O=C(O)CCN1CCCCCCC1 DY603598 [0,1,0,1,0,0|1,0,1]=4 68 B13R1.1988 O=C(O)CCCN1CCCCCC1 DY605579 [0,1,0,1,0,0|1,0,1]=4 69 B13R2.3 C1CCC(C2CCCCN2)CC1 DY636134 [0,0,0,2,0,0|1,0,0]=3 70 B13R2.3 C1CCC(C2CCNCC2)CC1 DY524043 [0,0,0,2,0,0|2,0,0]=4 71 B13R2.3 C1CCC(C2COCCN2)CC1 DY732415 [0,0,0,2,0,0|2,0,0]=4 72 B13R2.3 C1CCC([C@H]2COCCN2)CC1 DY625213 [0,0,0,2,0,0|2,0,0]=4 73 B13R2.64 C1CCC(NC2CCCC2)CC1 DY610275 [0,0,0,2,0,0|2,0,0]=4 74 B13R2.64 C1CCC(O[C@@H]2CCNC2)OC1 DY738596 [0,0,0,2,0,0|2,0,0]=4 75 B13R2.18 N[C@@H]1CCCC[C@H]1N2CCCC2 DY577563 [0,0,0,2,0,0|2,0,0]=4