0 B8R0.4 BrCCCCCCCBr AK109234 [0,0,0,0,0,0|3,0,0]=3 1 B8R0.4 C(CCCCO)CCBr AK-41195 [0,0,0,0,0,0|3,0,0]=3 2 B8R0.4 C=CCCCCCCCl AK164503 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.4 OCCCCCCC#C AK-48557 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.4 OCCCCCCCO AK-44723 [0,0,0,0,0,0|3,0,0]=3 5 B8R0.4 OCCCNCCCO AK-33226 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.1 BrCCCCCC#N AK-81731 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.1 BrCCNCCCN AK-32244 [1,0,0,0,0,0|3,0,0]=4 8 B7R0.1 C(CCCBr)CCBr AK-48407 [1,0,0,0,0,0|2,0,0]=3 9 B7R0.1 C(CCCCC#C)O AK-30082 [1,0,0,0,0,0|1,0,2]=4 10 B7R0.1 C=CCCCCCBr AK-40908 [1,0,0,0,0,0|1,0,2]=4 11 B7R0.1 C=CCCCCNC AK142907 [1,0,0,0,0,0|1,0,2]=4 12 B7R0.1 COCCOCCN AK-67670 [1,0,0,0,0,0|2,1,0]=4 13 B7R0.1 ICCCCCCI AK165087 [1,0,0,0,0,0|2,0,0]=3 14 B7R0.1 NCCCCCCN AK129024 [1,0,0,0,0,0|2,0,0]=3 15 B7R0.1 NCCCNCCO AK-50569 [1,0,0,0,0,0|3,0,0]=4 16 B7R0.1 NCCSSCCN AK-47593 [1,0,0,0,0,0|3,0,0]=4 17 B7R0.1 OCCCCCCBr AK110830 [1,0,0,0,0,0|2,0,0]=3 18 B7R0.1 OCCCCCCCl AK-47999 [1,0,0,0,0,0|2,0,0]=3 19 B7R0.1 OCCCCCCN AK-84482 [1,0,0,0,0,0|2,0,0]=3 20 B9R0.2 CCCCCCCB(O)O AK145619 [0,1,0,0,0,0|3,0,0]=4 21 B9R0.18 C(C(CCCCl)=O)CCCl AK-46594 [0,1,0,0,0,0|3,0,0]=4 22 B9R0.45 BrCCCCCCCCBr AK-48263 [0,1,0,0,0,0|2,0,0]=3 23 B9R0.45 C#CCCCCCCCO AK117239 [0,1,0,0,0,0|1,0,2]=4 24 B9R0.45 C=CCCCCCCCBr AK161876 [0,1,0,0,0,0|1,0,2]=4 25 B9R0.45 C=CCCCCCCCCl AK164575 [0,1,0,0,0,0|1,0,2]=4 26 B9R0.45 CCCCCCCCCBr AK164444 [0,1,0,0,0,0|1,0,0]=2 27 B9R0.45 OCCCCCCCCBr AK113930 [0,1,0,0,0,0|2,0,0]=3 28 B9R0.46 CCC(C)CCCCCO AK-82137 [0,1,0,0,0,0|2,0,0]=3 29 B9R0.46 CCCCCCC(C)CO AK158822 [0,1,0,0,0,0|2,0,0]=3 30 B9R1.8 BrCCN1CCCCC1 AK110576 [0,0,0,1,0,0|3,0,0]=4 31 B9R1.8 C1CCN[C@H](C1)CCO AK-39809 [0,0,0,1,0,0|2,0,0]=3 32 B9R1.8 CCCC1CCNCC1 AK135014 [0,0,0,1,0,0|2,0,0]=3 33 B9R1.8 CCC[C@@H]1NCCCC1 AK608023 [0,0,0,1,0,0|1,0,0]=2 34 B9R1.8 CCNC1CCOCC1 AK-49563 [0,0,0,1,0,0|3,0,0]=4 35 B9R1.8 COCC1CCNCC1 AK-39216 [0,0,0,1,0,0|3,0,0]=4 36 B9R1.8 COCC1CNCCO1 AK119603 [0,0,0,1,0,0|2,1,0]=4 37 B9R1.8 COCC1NCCCC1 AK153936 [0,0,0,1,0,0|2,0,0]=3 38 B9R1.8 COCC1NCCOC1 AK102282 [0,0,0,1,0,0|3,0,0]=4 39 B9R1.8 COC[C@@H]1CNCCO1 AK108372 [0,0,0,1,0,0|2,1,0]=4 40 B9R1.8 COC[C@@H]1NCCOC1 AK102252 [0,0,0,1,0,0|3,0,0]=4 41 B9R1.8 COC[C@H]1CNCCO1 AK108397 [0,0,0,1,0,0|2,1,0]=4 42 B9R1.8 N#CCC1CCCCC1 AK144830 [0,0,0,1,0,0|2,0,1]=4 43 B9R1.8 NCCC1CCCCC1 AK-25118 [0,0,0,1,0,0|2,0,0]=3 44 B9R1.8 NCCC1CCOCC1 AK-84660 [0,0,0,1,0,0|3,0,0]=4 45 B9R1.8 NCCN1CCCCC1 AK-45168 [0,0,0,1,0,0|3,0,0]=4 46 B9R1.8 NCCN1CCCCC1 AK-93384 [0,0,0,1,0,0|3,0,0]=4 47 B9R1.8 OCCC1NCCNC1 AK-45810 [0,0,0,1,0,0|3,0,0]=4 48 B9R1.8 OCC[C@@H]1NCCCC1 AK-97234 [0,0,0,1,0,0|2,0,0]=3 49 B9R1.8 OCC[C@@H]1NCCCC1 AK164123 [0,0,0,1,0,0|2,0,0]=3 50 B9R1.8 OCC[C@@H]1NCCNC1 AK102263 [0,0,0,1,0,0|3,0,0]=4 51 B9R1.8 OCC[C@H]1NCCCC1 AK-41773 [0,0,0,1,0,0|2,0,0]=3 52 B9R1.8 OCC[C@H]1NCCNC1 AK102262 [0,0,0,1,0,0|3,0,0]=4 53 B9R1.12 BrCCCN1CCCC1 AK140161 [0,0,0,1,0,0|2,0,0]=3 54 B9R1.12 ClCCCN1CCCC1 AK-35019 [0,0,0,1,0,0|2,0,0]=3 55 B9R1.12 NCCCN1CCCC1 AK-73082 [0,0,0,1,0,0|2,0,0]=3 56 B9R1.12 OCCCN1CCCC1 AK-87069 [0,0,0,1,0,0|2,0,0]=3 57 B9R1.14 CCN1[C@H](CN)CCC1 AK-34220 [0,0,0,1,0,0|3,0,0]=4 58 B9R1.15 C(C1N(CCCC1)C)O AK-34053 [0,0,0,1,0,0|3,0,0]=4 59 B9R1.15 NCC1N(C)CCCC1 AK150786 [0,0,0,1,0,0|3,0,0]=4 60 B9R1.15 OC1C(CO)CNCC1 AK151180 [0,0,0,1,0,0|3,0,0]=4 61 B9R1.33 CN1C(CCN)CCC1 AK-32183 [0,0,0,1,0,0|3,0,0]=4 62 B9R1.33 OCCC1N(C)CCC1 AK-32182 [0,0,0,1,0,0|3,0,0]=4 63 B9R1.50 O=C1CCCCCCC1 AK-96432 [0,0,0,1,0,0|2,0,1]=4 64 B9R1.50 OC1CC\C=C/CCC1 AK-79871 [0,0,0,1,0,0|2,0,1]=4 65 B9R1.89 NCC1CCCCCC1 AK110620 [0,0,0,1,0,0|2,0,0]=3 66 B9R1.103 N1CCNCCNCC1 AK-54605 [0,0,0,1,0,0|3,0,0]=4 67 B6R0.6 BrCCCCCBr AK134932 [2,0,0,0,0,0|2,0,0]=4 68 B6R0.6 C(CCO)CCBr AK-72934 [2,0,0,0,0,0|2,0,0]=4 69 B6R0.6 CCCNCCO AK-60790 [2,0,0,0,0,0|2,0,0]=4 70 B6R0.6 FCCCCCBr AK-48229 [2,0,0,0,0,0|2,0,0]=4 71 B6R0.6 OCCCCNC AK112657 [2,0,0,0,0,0|2,0,0]=4 72 B8R0.6 C=CC(O)CCCCC AK164470 [1,1,0,0,0,0|0,0,2]=4 73 B8R0.6 OC[C@@H](N)CCCCN AK165144 [1,1,0,0,0,0|2,0,0]=4 74 B8R0.7 CC(O)CCCCCC AK113715 [1,1,0,0,0,0|0,0,0]=2 75 B8R0.7 C[C@@H](O)CCCCCC AK115983 [1,1,0,0,0,0|0,0,0]=2 76 B10R0.4 CCCCCCCCB(O)O AK-84208 [0,2,0,0,0,0|2,0,0]=4 77 B10R0.71 C(CCCCBr)CCCCBr AK-48264 [0,2,0,0,0,0|1,0,0]=3 78 B10R0.71 C=CCCCCCCCCBr AK-48406 [0,2,0,0,0,0|1,0,1]=4 79 B10R0.71 COCCOCCOCCN AK-99978 [0,2,0,0,0,0|1,1,0]=4 80 B10R0.71 ClCCCCCCCCCCl AK-48518 [0,2,0,0,0,0|1,0,0]=3 81 B10R0.71 OCCCCCCCCCBr AK-77024 [0,2,0,0,0,0|1,0,0]=3 82 B10R0.71 OCCCCCCCCCO AK117066 [0,2,0,0,0,0|1,0,0]=3 83 B8R1.2 BrCC1CCCCC1 AK-34379 [1,0,0,1,0,0|1,0,0]=3 84 B8R1.2 BrCC1CCOCC1 AK-33044 [1,0,0,1,0,0|2,0,0]=4 85 B8R1.2 C(C1CCOCC1)O AK-25438 [1,0,0,1,0,0|2,0,0]=4 86 B8R1.2 CC[C@@H]1NCCCC1 AK165909 [1,0,0,1,0,0|1,0,0]=3 87 B8R1.2 CC[C@@H]1NCCOC1 AK-45140 [1,0,0,1,0,0|1,1,0]=4 88 B8R1.2 CNC1CCCNC1 AK-39351 [1,0,0,1,0,0|2,0,0]=4 89 B8R1.2 CNC1CCNCC1 AK-81357 [1,0,0,1,0,0|2,0,0]=4 90 B8R1.2 CNC1CCOCC1 AK-29001 [1,0,0,1,0,0|2,0,0]=4 91 B8R1.2 COC1CCNCC1 AK-86244 [1,0,0,1,0,0|2,0,0]=4 92 B8R1.2 ClCC1NCCCC1 AK-78057 [1,0,0,1,0,0|2,0,0]=4 93 B8R1.2 ICC1CCCCC1 AK126313 [1,0,0,1,0,0|1,0,0]=3 94 B8R1.2 ICC1CCOCC1 AK-51037 [1,0,0,1,0,0|2,0,0]=4 95 B8R1.2 N#CC1CCCCC1 AK117259 [1,0,0,1,0,0|1,0,1]=4 96 B8R1.2 N1CCC[C@@H](C1)CO AK-29863 [1,0,0,1,0,0|2,0,0]=4 97 B8R1.2 NCC1CCOCC1 AK-33095 [1,0,0,1,0,0|2,0,0]=4 98 B8R1.2 NNC1CCCCC1 AK-51695 [1,0,0,1,0,0|2,0,0]=4 99 B8R1.2 OCC1CCCCC1 AK-47687 [1,0,0,1,0,0|1,0,0]=3 100 B8R1.2 OCC1CNCCC1 AK-26981 [1,0,0,1,0,0|2,0,0]=4 101 B8R1.2 OCC1NCCCC1 AK-47618 [1,0,0,1,0,0|2,0,0]=4 102 B8R1.2 OC[C@@H]1CNCCC1 AK-87595 [1,0,0,1,0,0|2,0,0]=4 103 B8R1.2 OC[C@@H]1NCCCC1 AK-78328 [1,0,0,1,0,0|2,0,0]=4 104 B8R1.2 OC[C@H]1NCCCC1 AK-78327 [1,0,0,1,0,0|2,0,0]=4 105 B8R1.2 ONC1CCCCC1 AK113259 [1,0,0,1,0,0|2,0,0]=4 106 B8R1.2 ONC1CCCCC1 AK118974 [1,0,0,1,0,0|2,0,0]=4 107 B8R1.5 BrC1CCCCC1Br AK110889 [1,0,0,1,0,0|2,0,0]=4 108 B8R1.5 C1CC[C@@H]([C@H](C1)N)O AK-40745 [1,0,0,1,0,0|2,0,0]=4 109 B8R1.5 CC1CNCCC1O AK-34735 [1,0,0,1,0,0|2,0,0]=4 110 B8R1.5 CC1CNCCC1O AK-77366 [1,0,0,1,0,0|2,0,0]=4 111 B8R1.5 CC1N(C)CCNC1 AK-27680 [1,0,0,1,0,0|2,0,0]=4 112 B8R1.5 N[C@@H]1CCCC[C@@H]1O AK-33975 [1,0,0,1,0,0|2,0,0]=4 113 B8R1.5 N[C@@H]1[C@@H](N)CCCC1 AK-51492 [1,0,0,1,0,0|2,0,0]=4 114 B8R1.5 N[C@@H]1[C@H](C)CCCC1 AK167720 [1,0,0,1,0,0|1,0,0]=3 115 B8R1.5 N[C@H]1CCCC[C@H]1N AK110121 [1,0,0,1,0,0|2,0,0]=4 116 B8R1.5 N[C@H]1CCCC[C@H]1O AK-33886 [1,0,0,1,0,0|2,0,0]=4 117 B8R1.5 N[C@H]1CCCC[C@H]1O AK109572 [1,0,0,1,0,0|2,0,0]=4 118 B8R1.5 N[C@H]1[C@H](N)CCCC1 AK-49548 [1,0,0,1,0,0|2,0,0]=4 119 B8R1.5 OC1C(N)CCCC1 AK116055 [1,0,0,1,0,0|2,0,0]=4 120 B8R1.5 O[C@@H]1[C@@H](N)CCCC1 AK-36258 [1,0,0,1,0,0|2,0,0]=4 121 B8R1.5 O[C@H]1[C@H](N)CCCC1 AK-36901 [1,0,0,1,0,0|2,0,0]=4 122 B8R1.5 O[C@H]1[C@H](N)CCCC1 AK-77710 [1,0,0,1,0,0|2,0,0]=4 123 B8R1.5 O[C@H]1[C@H](O)CCCC1 AK114228 [1,0,0,1,0,0|2,0,0]=4 124 B8R1.8 BrCCN1CCCC1 AK-87121 [1,0,0,1,0,0|2,0,0]=4 125 B8R1.8 COC[C@H]1NCCC1 AK-81364 [1,0,0,1,0,0|2,0,0]=4 126 B8R1.8 ClCCN1CCCC1 AK-36224 [1,0,0,1,0,0|2,0,0]=4 127 B8R1.8 NCCC1CCCC1 AK-84118 [1,0,0,1,0,0|1,0,0]=3 128 B8R1.8 OCC[C@H]1CNCC1 AK192539 [1,0,0,1,0,0|2,0,0]=4 129 B8R1.11 CN1CCC[C@@H]1CO AK-46413 [1,0,0,1,0,0|2,0,0]=4 130 B8R1.11 CN1[C@H](CBr)CCC1 AK159349 [1,0,0,1,0,0|2,0,0]=4 131 B8R1.11 C[C@H]1CNC[C@@H]1CO AK-43373 [1,0,0,1,0,0|2,0,0]=4 132 B8R1.11 NC[C@H]1N(C)CCC1 AK150867 [1,0,0,1,0,0|2,0,0]=4 133 B8R1.11 O=C1C(CC)CCC1 AK112291 [1,0,0,1,0,0|1,0,1]=4 134 B8R1.11 OCC1N(C)CCC1 AK-25839 [1,0,0,1,0,0|2,0,0]=4 135 B8R1.11 OC[C@H]1N(C)CCC1 AK-39889 [1,0,0,1,0,0|2,0,0]=4 136 B8R1.22 CC1NCCNCC1 AK-34218 [1,0,0,1,0,0|2,0,0]=4 137 B8R1.22 N[C@H]1CNCCCC1 AK-78190 [1,0,0,1,0,0|2,0,0]=4 138 B10R1.10 O=C1CC(CCC)NCC1 AK129486 [0,1,0,1,0,0|1,0,1]=4 139 B10R1.18 CC(N)CC1CCCCC1 AK-51120 [0,1,0,1,0,0|1,0,0]=3 140 B10R1.85 ClCCN1CCCCCC1 AK-81569 [0,1,0,1,0,0|2,0,0]=4 141 B10R1.17 C(CCC)C1CCNCC1 AK-27060 [0,1,0,1,0,0|1,0,0]=3 142 B10R1.17 CCCCN1CCOCC1 AK-47686 [0,1,0,1,0,0|1,0,0]=3 143 B10R1.17 COCCN1CCNCC1 AK-33155 [0,1,0,1,0,0|2,0,0]=4 144 B10R1.17 ClCCCN1CCOCC1 AK-36245 [0,1,0,1,0,0|2,0,0]=4 145 B10R1.17 NCCCN1CCNCC1 AK112285 [0,1,0,1,0,0|2,0,0]=4 146 B10R1.17 OCCCN1CCOCC1 AK-48252 [0,1,0,1,0,0|2,0,0]=4 147 B10R1.20 CNC1C(NC)CCCC1 AK-39338 [0,1,0,1,0,0|2,0,0]=4 148 B10R1.20 CNC1C(NC)CCCC1 AK-64638 [0,1,0,1,0,0|2,0,0]=4 149 B10R1.20 CN[C@H]1[C@H](NC)CCCC1 AK-41490 [0,1,0,1,0,0|2,0,0]=4 150 B10R1.20 CN[C@H]1[C@H](NC)CCCC1 AK-64322 [0,1,0,1,0,0|2,0,0]=4 151 B10R1.20 OCC1C(CO)CCCC1 AK342703 [0,1,0,1,0,0|2,0,0]=4 152 B10R1.20 OC[C@@H]1[C@@H](CO)CCCC1 AK134190 [0,1,0,1,0,0|2,0,0]=4 153 B10R1.20 OC[C@H]1[C@H](CO)CCCC1 AK-79086 [0,1,0,1,0,0|2,0,0]=4 154 B10R1.1 NC1CCC(CCO)CC1 AK-68022 [0,1,0,1,0,0|2,0,0]=4 155 B10R1.1 O=C1CCC(CCC)CC1 AK-41694 [0,1,0,1,0,0|1,0,1]=4 156 B10R1.15 CC[C@@H](C1CCCCC1)N AK544253 [0,1,0,1,0,0|1,0,0]=3 157 B10R1.15 N[C@@H](C1CCCCC1)CO AK103603 [0,1,0,1,0,0|2,0,0]=4 158 B10R1.27 CC(NC)CC1CCCC1 AK140667 [0,1,0,1,0,0|2,0,0]=4 159 B10R2.7 C12CNCCN1CCC2 AK165886 [0,0,0,2,0,0|2,0,0]=4 160 B10R2.7 C1NCC2C1CCCC2 AK-46514 [0,0,0,2,0,0|1,0,0]=3 161 B10R2.7 C1NC[C@@H]2NCCC[C@H]12 AK-27824 [0,0,0,2,0,0|2,0,0]=4 162 B10R2.7 N1CCC[C@H]2[C@@H]1CNC2 AK-25446 [0,0,0,2,0,0|2,0,0]=4 163 B10R2.7 [C@@H]12CNC[C@@H]1CCCC2 AK-50701 [0,0,0,2,0,0|1,0,0]=3 164 B10R2.7 [C@H]12CNC[C@H]1NCCC2 AK-50695 [0,0,0,2,0,0|2,0,0]=4 165 B10R2.62 OC1C2CCC(CC2)C1 AK162852 [0,0,0,2,0,0|2,0,0]=4 166 B10R2.41 CN1C2CNCC1CC2 AK-28904 [0,0,0,2,0,0|2,0,0]=4