0 B11R0.148 C=CCCCCCCCC(=O)O DY791529 [0,0,0,0,0,0|0,0,2]=2 1 B11R0.148 CCCCCCCCOC(=O)Cl DY461292 [0,0,0,0,0,0|2,0,0]=2 2 B11R0.148 CCCCCCC\C=C\C(=O)O DY424008 [0,0,0,0,0,0|0,0,2]=2 3 B11R0.148 CCCC\C=C\CCCC(=O)O DY822613 [0,0,0,0,0,0|0,0,2]=2 4 B11R0.148 O=C(O)CCOCCOCCO DY457756 [0,0,0,0,0,0|3,0,0]=3 5 B10R0.4 CCCCCCCCC(=O)[O-] DY740629 [1,0,0,0,0,0|0,0,1]=2 6 B10R0.4 CCCCCCCCC(C)C NO21688 [1,0,0,0,0,0|2,0,1]=4 7 B10R0.4 NCCOCCOCC(=O)O NO12154 [1,0,0,0,0,0|3,0,0]=4 8 B10R0.71 BrCCCCCCCCCBr NO20559 [1,0,0,0,0,0|2,0,1]=4 9 B10R0.71 C=CCCCCCCCCBr NO20576 [1,0,0,0,0,0|2,0,0]=3 10 B10R0.71 CCCCCCCCCCBr DY822469 [1,0,0,0,0,0|1,0,1]=3 11 B10R0.71 ClCCCCCCCCCCl NO20560 [1,0,0,0,0,0|2,0,1]=4 12 B10R0.71 OCCCCCCCCCF DY822296 [1,0,0,0,0,0|1,0,1]=3 13 B10R0.71 OCCCCNCCCCO DY572229 [1,0,0,0,0,0|2,0,1]=4 14 B12R0.119 CCCCCCCCOS(=O)(=O)[O-] DY741073 [0,1,0,0,0,0|2,0,1]=4 15 B12R0.184 COC(=O)CCCCCCC(=O)O NO11965 [0,1,0,0,0,0|1,0,1]=3 16 B12R0.234 CNCCOCCOCCC(=O)O DY739883 [0,1,0,0,0,0|2,0,0]=3 17 B12R0.234 O=C(O)\C=C\CCCCCCCO NO13683 [0,1,0,0,0,0|0,0,2]=3 18 B12R0.248 CCCCCCCCCC(=O)OC DY506166 [0,1,0,0,0,0|0,0,0]=1 19 B12R0.268 CC(=O)CCCCCCCC(=O)O DY740551 [0,1,0,0,0,0|0,0,1]=2 20 B12R1.75 O=C(O)CN1CCCCC1CCl DY634992 [0,0,0,1,0,0|2,0,0]=3 21 B12R1.75 O=C(O)CN1CCCCC1CO DY635004 [0,0,0,1,0,0|2,0,0]=3 22 B12R1.210 O=C(O)CC1CCNCCC1=O DY743347 [0,0,0,1,0,0|2,0,1]=4 23 B12R1.252 O=C(O)CCCC1CCNCC1 DY574017 [0,0,0,1,0,0|1,0,0]=2 24 B12R1.255 O=C(O)CCCCC1CCSS1 DY822655 [0,0,0,1,0,0|2,0,0]=3 25 B12R1.255 O=C(O)CCCCC1CCSS1 NO11282 [0,0,0,1,0,0|2,0,0]=3 26 B12R1.255 O=C(O)CCCNC1=NCCC1 DY612456 [0,0,0,1,0,0|2,0,1]=4 27 B12R1.255 O=C([O-])CCCCC1CCSS1 DY770709 [0,0,0,1,0,0|2,0,1]=4 28 B12R1.321 CCCCC1CCCCC(=O)N1 DY743257 [0,0,0,1,0,0|1,0,0]=2 29 B9R0.2 C=CCCCCCC(=O)O DY741061 [2,0,0,0,0,0|0,0,2]=4 30 B9R0.2 CCCCCCCB(O)O DY454048 [2,0,0,0,0,0|1,0,1]=4 31 B9R0.2 CCCCCCOC(=O)Cl NO11449 [2,0,0,0,0,0|2,0,0]=4 32 B9R0.2 CNCCOCCC(=O)O DY739619 [2,0,0,0,0,0|2,0,0]=4 33 B9R0.2 COCCCCCC(=O)O DY603806 [2,0,0,0,0,0|1,0,0]=3 34 B9R0.2 NCCCCCCC(=O)O NO10138 [2,0,0,0,0,0|1,0,0]=3 35 B9R0.2 O=C(O)CCCCCCO NO10820 [2,0,0,0,0,0|1,0,0]=3 36 B9R0.45 CCCCCCCCCI DY795411 [2,0,0,0,0,0|1,0,0]=3 37 B9R0.45 CCCCCCCCNC NO15827 [2,0,0,0,0,0|1,0,1]=4 38 B9R0.45 ClCCCCCCCCCl NO20556 [2,0,0,0,0,0|2,0,0]=4 39 B9R0.45 FCCCCCCCCF DY822303 [2,0,0,0,0,0|2,0,0]=4 40 B9R0.45 OCCCCCCCCBr NO14609 [2,0,0,0,0,0|1,0,0]=3 41 B9R0.45 OCCCCCCCCCl DY543033 [2,0,0,0,0,0|1,0,0]=3 42 B9R0.45 OCCCCCCCCF DY822295 [2,0,0,0,0,0|1,0,0]=3 43 B9R0.45 OCCCCCCCCO NO20567 [2,0,0,0,0,0|1,0,0]=3 44 B11R0.2 CCCCCCC(C)CC(=O)O DY112332 [1,1,0,0,0,0|0,0,0]=2 45 B11R0.30 CC(C)C#CCCCCC(=O)O DY741427 [1,1,0,0,0,0|0,0,2]=4 46 B11R0.30 O=C(O)CCCCCCC(=O)O NO11964 [1,1,0,0,0,0|1,0,1]=4 47 B11R0.176 CCOC(=O)CCCCC(=O)O DY461226 [1,1,0,0,0,0|1,0,1]=4 48 B11R0.3 CCCCCCCCCCCI DY740761 [1,1,0,0,0,0|1,0,1]=4 49 B11R0.3 CCCCCCCC\C=C\CO DY740917 [1,1,0,0,0,0|0,0,1]=3 50 B11R0.3 FCCCCCCCCCCF DY822304 [1,1,0,0,0,0|1,0,1]=4 51 B11R0.3 OCCCCCCCCCCF DY822297 [1,1,0,0,0,0|0,0,1]=3 52 B13R0.335 CCCCCCCCC(O)CC(=O)O DY553227 [0,2,0,0,0,0|0,0,0]=2 53 B13R0.54 CCCCCCCCCCCC(=O)[O-] DY822631 [0,2,0,0,0,0|0,0,1]=3 54 B13R0.54 CCCCCCCCCCCC(=O)[O-] DY822967 [0,2,0,0,0,0|0,0,1]=3 55 B13R0.54 CCCCCCCCCCCC(C)=O DY562239 [0,2,0,0,0,0|1,0,0]=3 56 B13R0.54 CCCCCCCCCCNC(N)=S DY793479 [0,2,0,0,0,0|1,1,0]=4 57 B13R0.54 CCCCCCCCCCOC(=O)Cl DY461286 [0,2,0,0,0,0|1,0,0]=3 58 B13R0.54 NCCOCCOCCOCC(=O)O DY739277 [0,2,0,0,0,0|2,0,0]=4 59 B13R0.150 CCCCCCCCC[C@@H](N)C(=O)O DY628083 [0,2,0,0,0,0|0,0,0]=2 60 B13R0.179 O=C(Cl)CCCCCCCCC(=O)Cl DY742609 [0,2,0,0,0,0|1,0,1]=4 61 B13R0.179 O=C(O)CCCCCCCCC(=O)O DY822448 [0,2,0,0,0,0|0,0,1]=3 62 B13R0.179 O=C([O-])CCCCCCCCC(=O)O DY822445 [0,2,0,0,0,0|0,0,1]=3 63 B13R0.179 O=C([O-])CCCCCCCCC(=O)[O-] DY822446 [0,2,0,0,0,0|0,0,2]=4 64 B13R0.179 O=C([O-])CCCCCCCCC(=O)[O-] DY822447 [0,2,0,0,0,0|0,0,2]=4 65 B13R0.2 CCCCCCCCCC(=O)OCC DY460560 [0,2,0,0,0,0|0,0,0]=2 66 B13R0.413 C=CCCCCCC[C@@](C)(N)C(=O)O DY510495 [0,2,0,0,0,0|0,0,2]=4 67 B11R1.53 CCN1CCCCC1C(=O)O DY458309 [1,0,0,1,0,0|1,0,0]=3 68 B11R1.78 CCCCCCC1CC(=O)C1 DY822476 [1,0,0,1,0,0|1,0,0]=3 69 B11R1.86 CC1CCCCN1CC(=O)O DY635076 [1,0,0,1,0,0|1,0,0]=3 70 B11R1.91 CC(=O)CCN1CCCCC1 DY638438 [1,0,0,1,0,0|2,0,0]=4 71 B11R1.91 NC(=O)CCC1CCCNC1 DY603580 [1,0,0,1,0,0|2,0,0]=4 72 B11R1.91 NC(=O)CCN1CCCCC1 DY637130 [1,0,0,1,0,0|2,0,0]=4 73 B11R1.91 O=C(O)C#CC1CCCCC1 NO16585 [1,0,0,1,0,0|0,0,2]=4 74 B11R1.91 O=C(O)CCC1CCCCC1 DY567957 [1,0,0,1,0,0|0,0,0]=2 75 B11R1.91 O=C(O)CCC1CCCNC1 DY458219 [1,0,0,1,0,0|1,0,0]=3 76 B11R1.91 O=C(O)CCC1OCCCO1 DY685451 [1,0,0,1,0,0|2,0,0]=4 77 B11R1.91 O=C(O)COC1CCCCC1 DY568815 [1,0,0,1,0,0|1,0,0]=3 78 B11R1.91 O=C(O)COC1CCNCC1 DY607161 [1,0,0,1,0,0|2,0,0]=4 79 B11R1.110 NCCC1CCCCC(=O)N1 DY743701 [1,0,0,1,0,0|2,0,0]=4 80 B11R1.172 O=C(O)CCNC1CCCC1 DY585778 [1,0,0,1,0,0|1,0,0]=3 81 B11R1.742 O=C(O)CN1CCCNCC1 DY585905 [1,0,0,1,0,0|2,0,0]=4 82 B11R1.5 NCCN1CCCCCC1=O DY743161 [1,0,0,1,0,0|2,0,0]=4 83 B11R1.17 CCCN[C@@H]1CCCC[C@H]1O DY604725 [1,0,0,1,0,0|1,0,1]=4 84 B11R1.28 NCCCCC1CCCCC1 DY795543 [1,0,0,1,0,0|1,0,1]=4 85 B11R1.180 CCCCCN1CCCC1=O DY584574 [1,0,0,1,0,0|1,0,0]=3 86 B13R1.27 CCCCCCCC1CCC(=O)O1 DY503703 [0,1,0,1,0,0|0,0,0]=2 87 B13R1.282 CN(CC(=O)O)CC1CCCN1C DY628635 [0,1,0,1,0,0|2,0,0]=4 88 B13R1.547 COC(=O)C1CCCCC1C(=O)O NO17902 [0,1,0,1,0,0|1,0,1]=4 89 B13R1.1988 O=C(O)CCCN1CCCCCC1 DY605579 [0,1,0,1,0,0|0,0,0]=2 90 B13R1.2744 CCCCOC(=O)[C@H]1C[C@H]1C(=O)O DY538593 [0,1,0,1,0,0|1,0,1]=4 91 B13R1.380 COCC1CCCCN1CC(=O)O DY585454 [0,1,0,1,0,0|1,0,0]=3 92 B13R1.1022 O=C(O)CCN1CCCCCCC1 DY603598 [0,1,0,1,0,0|0,0,0]=2 93 B13R1.718 COC(=O)CCCN1CCNCC1 DY734701 [0,1,0,1,0,0|2,0,0]=4 94 B13R1.718 COC(=O)CCCN1CCSCC1 DY732349 [0,1,0,1,0,0|2,0,0]=4 95 B13R1.718 O=C(CCCC1CCCCC1)O[Ag] DY564135 [0,1,0,1,0,0|0,0,0]=2 96 B13R1.6192 N[C@@H](CN1CCCCCC1)C(=O)O DY500000 [0,1,0,1,0,0|1,0,0]=3 97 B13R1.45 O=C(O)COC(=O)C1CCCCC1 DY756463 [0,1,0,1,0,0|1,0,1]=4 98 B13R1.589 CC(=O)N1CCCCC1CC(=O)O DY633988 [0,1,0,1,0,0|1,0,1]=4 99 B13R1.467 CCCC(=O)N1CCCC1C(=O)O DY585460 [0,1,0,1,0,0|1,0,1]=4 100 B13R2.13 O=C1CCCN(C2CCCC2)C1 NO17027 [0,0,0,2,0,0|2,0,0]=4 101 B13R2.11128 O=C1NCCC2(CCNCC2)O1 DY784642 [0,0,0,2,0,0|2,0,0]=4 102 B13R2.72 O=C(O)C1COC2CCCCC21 DY686155 [0,0,0,2,0,0|1,0,0]=3 103 B13R2.435 O=C(O)C1CC2CCCCC2N1 NO21274 [0,0,0,2,0,0|1,0,0]=3 104 B13R2.435 O=C(O)[C@@H]1CC2CCCCC2N1 DY620708 [0,0,0,2,0,0|1,0,0]=3 105 B13R2.435 O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1 NO21273 [0,0,0,2,0,0|1,0,0]=3 106 B13R2.3101 O=C(O)C1CC12CCCCC2=O DY573993 [0,0,0,2,0,0|1,0,1]=4 107 B13R2.3047 O=C1CCCCCC2CCCN12 DY686173 [0,0,0,2,0,0|1,0,0]=3 108 B13R2.14125 O=C(O)CC12CCCN1CCC2 NO13569 [0,0,0,2,0,0|1,0,0]=3