0 B10R0.74 CCCCCCCC(NN)=O AK117029 [0,0,0,0,0,0|2,0,0]=2 1 B10R0.74 CCCCCCCC(NO)=O AK-43792 [0,0,0,0,0,0|2,0,0]=2 2 B10R0.74 COC(CCCCCCBr)=O AK-29360 [0,0,0,0,0,0|2,0,0]=2 3 B10R0.74 O=C(OC)CCCCCCN AK-61182 [0,0,0,0,0,0|2,0,0]=2 4 B9R0.2 C=CCCCCCC(O)=O AK164507 [1,0,0,0,0,0|1,0,2]=4 5 B9R0.2 CCCCCCCB(O)O AK145619 [1,0,0,0,0,0|2,0,1]=4 6 B9R0.2 O=C(O)CCCCCCN AK-47536 [1,0,0,0,0,0|2,0,0]=3 7 B9R0.2 OC(=O)CCCCCCBr AK-28585 [1,0,0,0,0,0|2,0,0]=3 8 B9R0.2 OCCCCCCC(O)=O AK-29232 [1,0,0,0,0,0|2,0,0]=3 9 B9R0.45 BrCCCCCCCCBr AK-48263 [1,0,0,0,0,0|2,0,1]=4 10 B9R0.45 CCCCCCCCCBr AK164444 [1,0,0,0,0,0|1,0,1]=3 11 B9R0.45 OCCCCCCCCBr AK113930 [1,0,0,0,0,0|2,0,1]=4 12 B9R0.46 CCC(C)CCCCCO AK-82137 [1,0,0,0,0,0|2,0,1]=4 13 B9R0.46 CCCCCCC(C)CO AK158822 [1,0,0,0,0,0|2,0,1]=4 14 B9R0.46 O=C(OC)CCCCCBr AK113951 [1,0,0,0,0,0|2,0,0]=3 15 B9R0.46 O=C(OC)CCCCCN AK-47079 [1,0,0,0,0,0|2,0,0]=3 16 B11R0.4 CCOC(=O)CCCCCCBr AK-68411 [0,1,0,0,0,0|1,0,0]=2 17 B11R0.4 O=C(OCC)CCCCCCN AK-41611 [0,1,0,0,0,0|1,0,0]=2 18 B11R0.40 CCCCCC\C=C\C(OC)=O AK112231 [0,1,0,0,0,0|1,0,1]=3 19 B11R0.42 CCCCCCCC(=O)N(C)C AK-87625 [0,1,0,0,0,0|1,0,0]=2 20 B11R1.1 OCCCC1CCN(C)CC1 AK135455 [0,0,0,1,0,0|3,0,0]=4 21 B11R1.25 O=C(OC)CNC1CCCC1 AK-47989 [0,0,0,1,0,0|2,0,0]=3 22 B11R1.25 O=C(OC)CO[C@H]1CNCC1 AK554554 [0,0,0,1,0,0|3,0,0]=4 23 B11R1.27 O=C1OC(CCCCC)CC1 AK551064 [0,0,0,1,0,0|1,0,0]=2 24 B11R1.40 COC(=O)CC1CCOCC1 AK-76203 [0,0,0,1,0,0|2,0,0]=3 25 B11R1.40 O=C(OC)CC1CCNCC1 AK-44290 [0,0,0,1,0,0|2,0,0]=3 26 B11R1.40 O=C(OC)C[C@@H]1NCCOC1 AK165141 [0,0,0,1,0,0|3,0,0]=4 27 B11R1.40 OC[C@@H](N)CC1CCCCC1 AK-57591 [0,0,0,1,0,0|2,0,1]=4 28 B11R1.222 O=C(C1CNCCC1O)OC AK554356 [0,0,0,1,0,0|3,0,0]=4 29 B11R1.222 O=C(C1N(C)CCNC1)OC AK-64634 [0,0,0,1,0,0|3,0,0]=4 30 B8R0.4 BrCCCCCCCBr AK109234 [2,0,0,0,0,0|2,0,0]=4 31 B8R0.4 C(CCCCO)CCBr AK-41195 [2,0,0,0,0,0|2,0,0]=4 32 B8R0.4 C=CCCCCCCCl AK164503 [2,0,0,0,0,0|1,0,1]=4 33 B8R0.4 OCCCCCCCO AK-44723 [2,0,0,0,0,0|2,0,0]=4 34 B8R0.7 CC(O)CCCCCC AK113715 [2,0,0,0,0,0|0,0,2]=4 35 B8R0.7 C[C@@H](O)CCCCCC AK115983 [2,0,0,0,0,0|0,0,2]=4 36 B8R0.7 O=C(O)CCCCCBr AK-35122 [2,0,0,0,0,0|2,0,0]=4 37 B8R0.7 O=C(O)CCCCCN AK144762 [2,0,0,0,0,0|2,0,0]=4 38 B8R0.7 O=C(O)CCCCCO AK-41893 [2,0,0,0,0,0|2,0,0]=4 39 B8R0.7 O=C([O-])CCCCCO AK142914 [2,0,0,0,0,0|2,0,0]=4 40 B8R0.7 OC(=O)CCCCCCl AK-48239 [2,0,0,0,0,0|2,0,0]=4 41 B8R0.6 C(Cl)C(=O)NCCCC AK-59895 [2,0,0,0,0,0|2,0,0]=4 42 B8R0.6 C=CC(CCCCC)=O AK164478 [2,0,0,0,0,0|0,0,2]=4 43 B8R0.6 O=C(OC)CCCCBr AK-88540 [2,0,0,0,0,0|2,0,0]=4 44 B8R0.6 O=C(OC)CCCCN AK112995 [2,0,0,0,0,0|2,0,0]=4 45 B8R0.6 O=C(OC)CCCOC AK151485 [2,0,0,0,0,0|2,0,0]=4 46 B10R0.4 O=C(O)CCCCCCCBr AK-33752 [1,1,0,0,0,0|1,0,0]=3 47 B10R0.4 O=C(O)CCCCCCCN AK-45259 [1,1,0,0,0,0|1,0,0]=3 48 B10R0.22 CCCCCCCS(=O)([O-])=O AK-86033 [1,1,0,0,0,0|2,0,0]=4 49 B10R0.22 CS(=O)(OCCCCCC)=O AK160846 [1,1,0,0,0,0|2,0,0]=4 50 B10R0.55 COC(=O)CCCCC(C)=O AK102293 [1,1,0,0,0,0|1,0,1]=4 51 B10R0.75 CCCCCCC(N)C(O)=O AK-87750 [1,1,0,0,0,0|1,0,0]=3 52 B10R0.75 CCCCCC[C@H](N)C(O)=O AK-87751 [1,1,0,0,0,0|1,0,0]=3 53 B10R0.78 CCCCC(C)CCC(O)=O AK164469 [1,1,0,0,0,0|1,0,0]=3 54 B10R0.78 O=C(C)CCC(OCCC)=O AK326213 [1,1,0,0,0,0|1,0,1]=4 55 B10R0.71 C(CCCCBr)CCCCBr AK-48264 [1,1,0,0,0,0|1,0,1]=4 56 B10R0.71 ClCCCCCCCCCCl AK-48518 [1,1,0,0,0,0|1,0,1]=4 57 B10R0.71 OCCCCCCCCCBr AK-77024 [1,1,0,0,0,0|1,0,1]=4 58 B10R0.71 OCCCCCCCCCO AK117066 [1,1,0,0,0,0|1,0,1]=4 59 B10R0.18 CCCCC(CC(OC)=O)=O AK105368 [1,1,0,0,0,0|1,0,1]=4 60 B10R0.83 O=C(OC)[C@@H](N)CCCCN AK-81274 [1,1,0,0,0,0|2,0,0]=4 61 B10R0.83 O=C(OC)[C@H](N)CCCCN AK101735 [1,1,0,0,0,0|2,0,0]=4 62 B12R0.1 CCCCCCCCC(OCC)=O AK113976 [0,2,0,0,0,0|0,0,0]=2 63 B12R0.114 O=C(OCC)C(CCCCCCl)=O AK-92969 [0,2,0,0,0,0|1,0,1]=4 64 B12R0.285 O=C(OCC)CCCC(OCC)=O AK112428 [0,2,0,0,0,0|1,0,1]=4 65 B12R0.184 O=C(O)CCCCCCC(OC)=O AK113993 [0,2,0,0,0,0|1,0,1]=4 66 B12R0.184 O=C(OC)CCNCCCN(C)C AK400426 [0,2,0,0,0,0|2,0,0]=4 67 B12R0.248 CCCCCCCCOC(=O)CN AK111185 [0,2,0,0,0,0|1,0,0]=3 68 B12R0.248 O=C(OC)CCCCCCCCO AK158505 [0,2,0,0,0,0|1,0,0]=3 69 B10R1.10 O=C1CC(CCC)NCC1 AK129486 [1,0,0,1,0,0|1,0,0]=3 70 B10R1.18 CC(=O)NC1CCNCC1 AK-51631 [1,0,0,1,0,0|2,0,0]=4 71 B10R1.18 CC(N)CC1CCCCC1 AK-51120 [1,0,0,1,0,0|1,0,1]=4 72 B10R1.18 N1CCCC(C1)CC(=O)O AK-39922 [1,0,0,1,0,0|2,0,0]=4 73 B10R1.18 O=C(O)CC1CCCCC1 AK-41373 [1,0,0,1,0,0|1,0,0]=3 74 B10R1.18 O=C(O)CC1CCNCC1 AK-35393 [1,0,0,1,0,0|2,0,0]=4 75 B10R1.18 O=C(O)CC1CCOCC1 AK-44841 [1,0,0,1,0,0|2,0,0]=4 76 B10R1.61 O=C(C1C(C)NCCC1)O AK155118 [1,0,0,1,0,0|2,0,0]=4 77 B10R1.61 O=C(C1N(C)CCCC1)O AK-34361 [1,0,0,1,0,0|2,0,0]=4 78 B10R1.61 O=C([C@@H]1N(C)CCCC1)O AK-80986 [1,0,0,1,0,0|2,0,0]=4 79 B10R1.61 O=C([C@@H]1N(C)CCCC1)O AK210035 [1,0,0,1,0,0|2,0,0]=4 80 B10R1.61 O=C([C@H]1N(C)CCCC1)O AK151825 [1,0,0,1,0,0|2,0,0]=4 81 B10R1.61 OC1CCCCC1C(=O)O AK-35836 [1,0,0,1,0,0|2,0,0]=4 82 B10R1.66 O=C(O)CCC1CCCC1 AK-45246 [1,0,0,1,0,0|1,0,0]=3 83 B10R1.66 O=C(O)CCN1CCCC1 AK118044 [1,0,0,1,0,0|2,0,0]=4 84 B10R1.348 CC(=O)N1CCCNCC1 AK-24088 [1,0,0,1,0,0|2,0,0]=4 85 B10R1.348 O=C(C1CCCCCC1)N AK173577 [1,0,0,1,0,0|1,0,0]=3 86 B10R1.348 O=C(O)C1CCCCCC1 AK-25427 [1,0,0,1,0,0|1,0,0]=3 87 B10R1.17 C(CCC)C1CCNCC1 AK-27060 [1,0,0,1,0,0|1,0,0]=3 88 B10R1.17 CCCCN1CCOCC1 AK-47686 [1,0,0,1,0,0|2,0,0]=4 89 B10R1.1 O=C1CCC(CCC)CC1 AK-41694 [1,0,0,1,0,0|0,0,0]=2 90 B10R1.15 CC[C@@H](C1CCCCC1)N AK544253 [1,0,0,1,0,0|1,0,1]=4 91 B10R1.15 COC(=O)C1CCCCN1 AK-75909 [1,0,0,1,0,0|2,0,0]=4 92 B10R1.15 COC(=O)C1CCCCO1 AK-82436 [1,0,0,1,0,0|2,0,0]=4 93 B10R1.15 COC(=O)[C@H]1CCCCN1 AK-44845 [1,0,0,1,0,0|2,0,0]=4 94 B10R1.15 COC(C1CCCNC1)=O AK-27698 [1,0,0,1,0,0|2,0,0]=4 95 B10R1.15 ClCC(N1CCCCC1)=O AK115226 [1,0,0,1,0,0|2,0,0]=4 96 B10R1.15 N1CCC(CC1)C(=O)OC AK-50719 [1,0,0,1,0,0|2,0,0]=4 97 B10R1.15 N1CCCC[C@@H]1C(=O)OC AK-29738 [1,0,0,1,0,0|2,0,0]=4 98 B10R1.15 NCC(N1CCCCC1)=O AK389192 [1,0,0,1,0,0|2,0,0]=4 99 B10R1.15 O=C(C1CCNCC1)NC AK130215 [1,0,0,1,0,0|2,0,0]=4 100 B10R1.15 O=C(C1CCNCC1)OC AK116971 [1,0,0,1,0,0|2,0,0]=4 101 B10R1.15 O=C(C1CCOCC1)OC AK-41265 [1,0,0,1,0,0|2,0,0]=4 102 B10R1.15 O=C(C1CNCCC1)OC AK-86479 [1,0,0,1,0,0|2,0,0]=4 103 B10R1.15 O=C(C1NCCCC1)OC AK-41701 [1,0,0,1,0,0|2,0,0]=4 104 B10R1.15 O=C([C@@H]1CNCCC1)OC AK-65136 [1,0,0,1,0,0|2,0,0]=4 105 B10R1.15 O=C([C@H]1CNCCC1)NC AK203541 [1,0,0,1,0,0|2,0,0]=4 106 B10R1.15 O=[C@]([C@H]1NCCCC1)OC AK-33856 [1,0,0,1,0,0|2,0,0]=4 107 B10R1.27 O=C(OC)C[C@@H]1NCCC1 AK144146 [1,0,0,1,0,0|2,0,0]=4 108 B10R1.27 O=C(OC)C[C@H]1NCCC1 AK-86767 [1,0,0,1,0,0|2,0,0]=4 109 B10R1.149 COC(=O)[C@H]1CNC[C@@H]1C AK-38248 [1,0,0,1,0,0|2,0,0]=4 110 B10R1.149 O=C([C@H]1CNC[C@@H]1C)OC AK544675 [1,0,0,1,0,0|2,0,0]=4 111 B10R1.149 O=C([C@H]1N(C)CCC1)OC AK158809 [1,0,0,1,0,0|2,0,0]=4 112 B12R1.28 O=C1CCCC(CCCCC)O1 AK105335 [0,1,0,1,0,0|1,0,0]=3 113 B12R1.32 O=C(OCC)CC1CCNCC1 AK-62757 [0,1,0,1,0,0|1,0,0]=3 114 B12R1.32 O=C(OCC)CC1CCOCC1 AK-45451 [0,1,0,1,0,0|1,0,0]=3 115 B12R1.32 O=C(OCC)CC1CNCCC1 AK-62785 [0,1,0,1,0,0|1,0,0]=3 116 B12R1.308 C(OC(=O)C1C(=O)CCCC1)C AK-41453 [0,1,0,1,0,0|1,0,1]=4 117 B12R1.308 O=C(C1N(C)CCCC1)OCC AK-75846 [0,1,0,1,0,0|1,0,0]=3 118 B12R1.308 O=C([C@H]1[C@@H](O)CCCC1)OCC AK173002 [0,1,0,1,0,0|1,0,0]=3 119 B12R1.308 O=C([C@H]1[C@H](O)CCCC1)OCC AK-81366 [0,1,0,1,0,0|1,0,0]=3 120 B12R1.310 CCOC(=O)CCCNC1CC1 AK-82221 [0,1,0,1,0,0|1,0,0]=3 121 B12R1.318 O=C(OCC)CC1C(CCC1)=O AK-48019 [0,1,0,1,0,0|1,0,1]=4 122 B12R1.1 OC1CCC(CCCCC)CC1 AK-88549 [0,1,0,1,0,0|0,0,2]=4 123 B12R1.477 C1(CCCC1)NCCC(=O)OC AK-51319 [0,1,0,1,0,0|1,0,0]=3 124 B12R1.49 O=C(OC)CC1CCC(CC1)=O AK-44997 [0,1,0,1,0,0|1,0,1]=4 125 B12R1.49 O=C(OC)CC1CCN(C)CC1 AK159698 [0,1,0,1,0,0|2,0,0]=4 126 B12R1.34 O=C(OC)C(C1CCCCC1)=O AK155938 [0,1,0,1,0,0|1,0,1]=4 127 B12R1.34 O=C(OC)C(N)C1CCOCC1 AK163405 [0,1,0,1,0,0|2,0,0]=4 128 B12R1.34 O=C(OC)[C@@H](N)C1CCCCC1 AK-41805 [0,1,0,1,0,0|1,0,0]=3 129 B12R1.16 C1(C(OCC)=O)CCC(=O)CC1 AK-47372 [0,1,0,1,0,0|1,0,1]=4 130 B12R2.24 O=C1CCC2CCCCC2O1 AK554624 [0,0,0,2,0,0|1,0,0]=3 131 B12R2.294 O=C1CCN(CC2CC2)CC1 AK-30750 [0,0,0,2,0,0|1,0,0]=3 132 B12R2.1175 C12(CCC(=O)CC1)OCCO2 AK-27255 [0,0,0,2,0,0|2,0,0]=4 133 B12R2.2918 O1C2(CCC1=O)CCNCC2 AK-27969 [0,0,0,2,0,0|2,0,0]=4 134 B12R2.2918 O=C1CC2(CN1)CCCNC2 AK103687 [0,0,0,2,0,0|2,0,0]=4 135 B12R2.2918 O=C1COC2(CCNCC2)C1 AK128846 [0,0,0,2,0,0|2,0,0]=4 136 B12R2.2918 O=C1NCC2(CCCCC2)C1 AK-86397 [0,0,0,2,0,0|1,0,0]=3 137 B12R2.2918 O=C1NCC2(CCNCC2)C1 AK-64614 [0,0,0,2,0,0|2,0,0]=4