0 B8R0.4 BrCCCCCCCBr AK109234 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.4 C(CCCCO)CCBr AK-41195 [0,0,0,0,0,0|1,0,2]=3 2 B8R0.4 CCC\C=C\C=C\C=O AK-88482 [0,0,0,0,0,0|0,0,4]=4 3 B8R0.4 OCCCCCCC#C AK-48557 [0,0,0,0,0,0|0,0,4]=4 4 B8R0.4 OCCCCCCCO AK-44723 [0,0,0,0,0,0|1,0,2]=3 5 B8R0.4 OCCCNCCCO AK-33226 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.1 BrCCNCCCN AK-32244 [1,0,0,0,0,0|3,0,0]=4 7 B7R0.1 C(CCCBr)CCBr AK-48407 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.1 C(CCCCC#C)O AK-30082 [1,0,0,0,0,0|0,0,3]=4 9 B7R0.1 COCCOCCN AK-67670 [1,0,0,0,0,0|3,0,0]=4 10 B7R0.1 ICCCCCCI AK165087 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.1 NCCCCCCN AK129024 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.1 NCCCNCCO AK-50569 [1,0,0,0,0,0|2,0,0]=3 13 B7R0.1 OCCCCCCBr AK110830 [1,0,0,0,0,0|1,0,1]=3 14 B7R0.1 OCCCCCCCl AK-47999 [1,0,0,0,0,0|1,0,1]=3 15 B7R0.1 OCCCCCCN AK-84482 [1,0,0,0,0,0|1,0,1]=3 16 B9R0.2 CCCCCCCB(O)O AK145619 [0,1,0,0,0,0|1,0,2]=4 17 B9R0.5 O=C(OCCCC)CC#N AK109261 [0,1,0,0,0,0|2,0,1]=4 18 B9R0.18 C(C(CCCCl)=O)CCCl AK-46594 [0,1,0,0,0,0|2,0,1]=4 19 B9R0.45 BrCCCCCCCCBr AK-48263 [0,1,0,0,0,0|1,0,2]=4 20 B9R0.45 C#CCCCCCCCO AK117239 [0,1,0,0,0,0|0,0,3]=4 21 B9R0.45 CCCCCCCCCBr AK164444 [0,1,0,0,0,0|1,0,2]=4 22 B9R0.45 ClCCOCCOCCO AK113441 [0,1,0,0,0,0|2,0,1]=4 23 B9R0.45 NCCOCCOCCO AK105247 [0,1,0,0,0,0|2,0,1]=4 24 B9R0.45 OCCCCCCCCBr AK113930 [0,1,0,0,0,0|0,0,2]=3 25 B9R0.45 OCCOCCOCCO AK-72565 [0,1,0,0,0,0|2,0,1]=4 26 B9R0.46 CCC(C)CCCCCO AK-82137 [0,1,0,0,0,0|0,0,2]=3 27 B9R0.46 CCCCCCC(C)CO AK158822 [0,1,0,0,0,0|0,0,2]=3 28 B9R1.8 BrCCN1CCCCC1 AK110576 [0,0,0,1,0,0|2,0,1]=4 29 B9R1.8 C(CN1CCNCC1)O AK-47366 [0,0,0,1,0,0|2,0,1]=4 30 B9R1.8 C1CCN[C@H](C1)CCO AK-39809 [0,0,0,1,0,0|1,0,1]=3 31 B9R1.8 CCC[C@@H]1NCCCC1 AK608023 [0,0,0,1,0,0|1,0,2]=4 32 B9R1.8 COCC1CNCCO1 AK119603 [0,0,0,1,0,0|2,0,1]=4 33 B9R1.8 COC[C@@H]1CNCCO1 AK108372 [0,0,0,1,0,0|2,0,1]=4 34 B9R1.8 COC[C@H]1CNCCO1 AK108397 [0,0,0,1,0,0|2,0,1]=4 35 B9R1.8 NCCC1CCCCC1 AK-25118 [0,0,0,1,0,0|1,0,2]=4 36 B9R1.8 NCCN1CCCCC1 AK-45168 [0,0,0,1,0,0|2,0,1]=4 37 B9R1.8 NCCN1CCCCC1 AK-93384 [0,0,0,1,0,0|2,0,1]=4 38 B9R1.8 OCCC1NCCNC1 AK-45810 [0,0,0,1,0,0|2,0,1]=4 39 B9R1.8 OCCN1CCOCC1 AK-72501 [0,0,0,1,0,0|2,0,1]=4 40 B9R1.8 OCC[C@@H]1NCCCC1 AK-97234 [0,0,0,1,0,0|1,0,1]=3 41 B9R1.8 OCC[C@@H]1NCCCC1 AK164123 [0,0,0,1,0,0|1,0,1]=3 42 B9R1.8 OCC[C@@H]1NCCNC1 AK102263 [0,0,0,1,0,0|2,0,1]=4 43 B9R1.8 OCC[C@H]1NCCCC1 AK-41773 [0,0,0,1,0,0|1,0,1]=3 44 B9R1.8 OCC[C@H]1NCCNC1 AK102262 [0,0,0,1,0,0|2,0,1]=4 45 B9R1.12 BrCCCN1CCCC1 AK140161 [0,0,0,1,0,0|2,0,1]=4 46 B9R1.12 CCCCC1=CC=CS1 AK142166 [0,0,0,1,0,0|0,1,2]=4 47 B9R1.12 CCOCC1=CC=CO1 AK119688 [0,0,0,1,0,0|1,0,2]=4 48 B9R1.12 ClCCCC1OCCO1 AK-60697 [0,0,0,1,0,0|2,0,1]=4 49 B9R1.12 ClCCCN1CCCC1 AK-35019 [0,0,0,1,0,0|2,0,1]=4 50 B9R1.12 NCCCN1CCCC1 AK-73082 [0,0,0,1,0,0|2,0,1]=4 51 B9R1.12 OCCCN1CCCC1 AK-87069 [0,0,0,1,0,0|1,0,1]=3 52 B9R1.15 C(C1N(CCCC1)C)O AK-34053 [0,0,0,1,0,0|1,0,2]=4 53 B9R1.15 OC1C(CO)CNCC1 AK151180 [0,0,0,1,0,0|2,0,1]=4 54 B9R1.33 OCCC1N(C)CCC1 AK-32182 [0,0,0,1,0,0|1,0,2]=4 55 B9R1.50 OC1CC\C=C/CCC1 AK-79871 [0,0,0,1,0,0|0,0,2]=3 56 B9R1.89 NCC1CCCCCC1 AK110620 [0,0,0,1,0,0|1,0,2]=4 57 B6R0.6 BrCCCCCBr AK134932 [2,0,0,0,0,0|2,0,0]=4 58 B6R0.6 C(CCO)CCBr AK-72934 [2,0,0,0,0,0|1,0,0]=3 59 B6R0.6 CCCNCCO AK-60790 [2,0,0,0,0,0|1,0,0]=3 60 B6R0.6 C\C=C\CCCO AK-46431 [2,0,0,0,0,0|1,0,0]=3 61 B6R0.6 ClCCOCCO AK114565 [2,0,0,0,0,0|2,0,0]=4 62 B6R0.6 FCCCCCBr AK-48229 [2,0,0,0,0,0|2,0,0]=4 63 B6R0.6 O=CCCCCO AK-40206 [2,0,0,0,0,0|1,0,1]=4 64 B6R0.6 OCCCCNC AK112657 [2,0,0,0,0,0|1,0,0]=3 65 B8R0.1 C#CCCC(CCO)=O AK544192 [1,1,0,0,0,0|0,0,2]=4 66 B8R0.1 CCOC(=O)CCCI AK102411 [1,1,0,0,0,0|2,0,0]=4 67 B8R0.1 CCOC(=O)CCCN AK-47111 [1,1,0,0,0,0|2,0,0]=4 68 B8R0.1 O=C(OCC)CCCBr AK-41609 [1,1,0,0,0,0|2,0,0]=4 69 B8R0.6 C(Cl)C(=O)NCCCC AK-59895 [1,1,0,0,0,0|2,0,0]=4 70 B8R0.6 OC[C@@H](N)CCCCN AK165144 [1,1,0,0,0,0|1,0,1]=4 71 B8R0.7 CC(O)CCCCCC AK113715 [1,1,0,0,0,0|0,0,1]=3 72 B8R0.7 C[C@@H](O)CCCCCC AK115983 [1,1,0,0,0,0|0,0,1]=3 73 B10R0.4 CCCCCCCCB(O)O AK-84208 [0,2,0,0,0,0|0,0,2]=4 74 B10R0.19 O=C(C(=O)OCC)CCCC AK-46512 [0,2,0,0,0,0|2,0,0]=4 75 B10R0.71 OCCCCCCCCCBr AK-77024 [0,2,0,0,0,0|0,0,2]=4 76 B10R0.71 OCCCCCCCCCO AK117066 [0,2,0,0,0,0|0,0,2]=4 77 B8R1.2 BrCC1CCCCC1 AK-34379 [1,0,0,1,0,0|1,0,1]=4 78 B8R1.2 C(C1CCOCC1)O AK-25438 [1,0,0,1,0,0|1,0,1]=4 79 B8R1.2 CC[C@@H]1NCCCC1 AK165909 [1,0,0,1,0,0|1,0,1]=4 80 B8R1.2 CC[C@@H]1NCCOC1 AK-45140 [1,0,0,1,0,0|2,0,0]=4 81 B8R1.2 ClCC1NCCCC1 AK-78057 [1,0,0,1,0,0|2,0,0]=4 82 B8R1.2 ICC1CCCCC1 AK126313 [1,0,0,1,0,0|1,0,1]=4 83 B8R1.2 N1CCC[C@@H](C1)CO AK-29863 [1,0,0,1,0,0|1,0,1]=4 84 B8R1.2 NCC1OCCOC1 AK143280 [1,0,0,1,0,0|2,0,0]=4 85 B8R1.2 NC[C@@H]1OCCOC1 AK171793 [1,0,0,1,0,0|2,0,0]=4 86 B8R1.2 NC[C@H]1OCCOC1 AK171792 [1,0,0,1,0,0|2,0,0]=4 87 B8R1.2 OCC1CCC=CC1 AK-63968 [1,0,0,1,0,0|1,0,0]=3 88 B8R1.2 OCC1CCCCC1 AK-47687 [1,0,0,1,0,0|0,0,1]=3 89 B8R1.2 OCC1CNCCC1 AK-26981 [1,0,0,1,0,0|1,0,1]=4 90 B8R1.2 OCC1CNCCO1 AK-30231 [1,0,0,1,0,0|2,0,0]=4 91 B8R1.2 OCC1NCCCC1 AK-47618 [1,0,0,1,0,0|1,0,0]=3 92 B8R1.2 OCC1NCCNC1 AK-42128 [1,0,0,1,0,0|2,0,0]=4 93 B8R1.2 OC[C@@H]1CNCCC1 AK-87595 [1,0,0,1,0,0|1,0,1]=4 94 B8R1.2 OC[C@@H]1CNCCO1 AK-37105 [1,0,0,1,0,0|2,0,0]=4 95 B8R1.2 OC[C@@H]1COCCN1 AK-54783 [1,0,0,1,0,0|2,0,0]=4 96 B8R1.2 OC[C@@H]1NCCCC1 AK-78328 [1,0,0,1,0,0|1,0,0]=3 97 B8R1.2 OC[C@@H]1NCCNC1 AK-42146 [1,0,0,1,0,0|2,0,0]=4 98 B8R1.2 OC[C@@H]1NCCOC1 AK-51349 [1,0,0,1,0,0|2,0,0]=4 99 B8R1.2 OC[C@@H]1OCCOC1 AK157556 [1,0,0,1,0,0|2,0,0]=4 100 B8R1.2 OC[C@H]1CNCCO1 AK-28829 [1,0,0,1,0,0|2,0,0]=4 101 B8R1.2 OC[C@H]1COCCN1 AK-59902 [1,0,0,1,0,0|2,0,0]=4 102 B8R1.2 OC[C@H]1NCCCC1 AK-78327 [1,0,0,1,0,0|1,0,0]=3 103 B8R1.2 ONC1CCCCC1 AK113259 [1,0,0,1,0,0|1,0,1]=4 104 B8R1.2 ONC1CCCCC1 AK118974 [1,0,0,1,0,0|1,0,1]=4 105 B8R1.5 C1CC[C@@H]([C@H](C1)N)O AK-40745 [1,0,0,1,0,0|1,0,1]=4 106 B8R1.5 CC1CNCCC1O AK-34735 [1,0,0,1,0,0|1,0,1]=4 107 B8R1.5 CC1CNCCC1O AK-77366 [1,0,0,1,0,0|1,0,1]=4 108 B8R1.5 N[C@@H]1CCCC[C@@H]1O AK-33975 [1,0,0,1,0,0|1,0,1]=4 109 B8R1.5 N[C@@H]1[C@H](C)CCCC1 AK167720 [1,0,0,1,0,0|1,0,1]=4 110 B8R1.5 N[C@H]1CCCC[C@H]1O AK-33886 [1,0,0,1,0,0|1,0,1]=4 111 B8R1.5 N[C@H]1CCCC[C@H]1O AK109572 [1,0,0,1,0,0|1,0,1]=4 112 B8R1.5 OC1C(N)CCCC1 AK116055 [1,0,0,1,0,0|1,0,1]=4 113 B8R1.5 O[C@@H]1[C@@H](N)CCCC1 AK-36258 [1,0,0,1,0,0|1,0,1]=4 114 B8R1.5 O[C@H]1COCC[C@@H]1N AK172298 [1,0,0,1,0,0|2,0,0]=4 115 B8R1.5 O[C@H]1[C@H](N)CCCC1 AK-36901 [1,0,0,1,0,0|1,0,1]=4 116 B8R1.5 O[C@H]1[C@H](N)CCCC1 AK-77710 [1,0,0,1,0,0|1,0,1]=4 117 B8R1.5 O[C@H]1[C@H](O)CCCC1 AK114228 [1,0,0,1,0,0|1,0,1]=4 118 B8R1.8 BrCCN1CCCC1 AK-87121 [1,0,0,1,0,0|2,0,0]=4 119 B8R1.8 C(C1OCCO1)CBr AK-46571 [1,0,0,1,0,0|2,0,0]=4 120 B8R1.8 ClCCN1CCCC1 AK-36224 [1,0,0,1,0,0|2,0,0]=4 121 B8R1.8 NCCC1CCCC1 AK-84118 [1,0,0,1,0,0|1,0,1]=4 122 B8R1.8 OCC[C@H]1CNCC1 AK192539 [1,0,0,1,0,0|1,0,1]=4 123 B8R1.11 CN1CCC[C@@H]1CO AK-46413 [1,0,0,1,0,0|1,0,1]=4 124 B8R1.11 C[C@H]1CNC[C@@H]1CO AK-43373 [1,0,0,1,0,0|1,0,1]=4 125 B8R1.11 OCC1N(C)CCC1 AK-25839 [1,0,0,1,0,0|1,0,1]=4 126 B8R1.11 OC[C@H]1N(C)CCC1 AK-39889 [1,0,0,1,0,0|1,0,1]=4 127 B8R1.22 CC1NCCNCC1 AK-34218 [1,0,0,1,0,0|2,0,0]=4 128 B8R1.22 N[C@H]1CNCCCC1 AK-78190 [1,0,0,1,0,0|2,0,0]=4 129 B8R1.22 O=C1C=CCCCC1 AK-88461 [1,0,0,1,0,0|0,0,2]=4 130 B8R1.49 C/1=C/CC\C=C/CC1 AK-32988 [1,0,0,1,0,0|0,0,2]=4 131 B8R1.49 C/1=C/CC\C=C/CC1 AK109339 [1,0,0,1,0,0|0,0,2]=4 132 B8R1.49 C/1=C/CC\C=C/CC1 AK112792 [1,0,0,1,0,0|0,0,2]=4 133 B8R1.49 C/1=C/CC\C=C/CC1 AK114035 [1,0,0,1,0,0|0,0,2]=4 134 B10R1.10 O=C1CC(CCC)NCC1 AK129486 [0,1,0,1,0,0|1,0,1]=4 135 B10R1.18 O=C(O)CC1=CCCCC1 AK-33815 [0,1,0,1,0,0|0,0,1]=3 136 B10R1.21 ClCCCCC1OCCO1 AK163242 [0,1,0,1,0,0|1,0,1]=4 137 B10R1.17 OCCCN1CCOCC1 AK-48252 [0,1,0,1,0,0|1,0,1]=4 138 B10R1.20 OCC1C(CO)CCCC1 AK342703 [0,1,0,1,0,0|0,0,2]=4 139 B10R1.20 OC[C@@H]1[C@@H](CO)CCCC1 AK134190 [0,1,0,1,0,0|0,0,2]=4 140 B10R1.20 OC[C@H]1[C@H](CO)CCCC1 AK-79086 [0,1,0,1,0,0|0,0,2]=4 141 B10R1.1 NC1CCC(CCO)CC1 AK-68022 [0,1,0,1,0,0|0,0,2]=4 142 B10R1.15 N[C@@H](C1CCCCC1)CO AK103603 [0,1,0,1,0,0|0,0,2]=4 143 B10R2.62 OC1C2CCC(CC2)C1 AK162852 [0,0,0,2,0,0|0,0,2]=4 144 B10R2.62 O[C@@H]1CN2CCC1CC2 AK-50721 [0,0,0,2,0,0|1,0,1]=4 145 B10R2.41 CN1C2CC=CC1CC2 AK155422 [0,0,0,2,0,0|2,0,0]=4