0 B8R0.4 COCCCCCCBr S10679 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.4 NCCCOCCCO D84663 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.4 OCCCOCCCO AT19326 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.1 C=CCCCCNC R10008 [1,0,0,0,0,0|1,0,2]=4 4 B7R0.1 CCCNCCCO AB4057 [1,0,0,0,0,0|1,0,1]=3 5 B7R0.1 CNCCOCCO C70229 [1,0,0,0,0,0|2,0,1]=4 6 B7R0.1 FCCCCCCBr A50948 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.1 NCCCCCCBr D83295 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.1 NCCCCCCS F31196 [1,0,0,0,0,0|1,1,1]=4 9 B7R0.1 NCCCOCCO W11222 [1,0,0,0,0,0|2,0,1]=4 10 B9R0.5 CCCCC[C@H](O)CCO A10789 [0,1,0,0,0,0|0,0,2]=3 11 B9R0.5 CCOC(=O)CCCCN 23836 [0,1,0,0,0,0|3,0,0]=4 12 B9R0.45 CCCCOCCCCO S11917 [0,1,0,0,0,0|0,0,2]=3 13 B9R0.45 CCCOCCOCCO D97202 [0,1,0,0,0,0|1,0,1]=3 14 B9R0.45 OCCOCCOCCBr S10706 [0,1,0,0,0,0|2,0,1]=4 15 B9R0.46 CCCCCC[C@H](O)CBr D93070 [0,1,0,0,0,0|1,0,2]=4 16 B9R0.46 CCOCCOC(=O)CCl D79711 [0,1,0,0,0,0|3,0,0]=4 17 B9R1.5 CC1CCCNCC1C 73165 [0,0,0,1,0,0|2,0,1]=4 18 B9R1.8 BrCCN1CCCCC1 O10261 [0,0,0,1,0,0|2,0,1]=4 19 B9R1.8 CCO[C@@H]1CNCCO1 Y10945 [0,0,0,1,0,0|2,0,1]=4 20 B9R1.8 CNC[C@H]1CNCCO1 AB1528 [0,0,0,1,0,0|2,0,1]=4 21 B9R1.8 CNC[C@H]1COCCO1 AC1133 [0,0,0,1,0,0|2,0,1]=4 22 B9R1.8 CNC[C@H]1COCCO1 F31295 [0,0,0,1,0,0|2,0,1]=4 23 B9R1.8 CNC[C@H]1COCCO1 F51993 [0,0,0,1,0,0|2,0,1]=4 24 B9R1.8 CNC[C@H]1COCCO1 F51998 [0,0,0,1,0,0|2,0,1]=4 25 B9R1.8 COC[C@H]1CNCCO1 77670 [0,0,0,1,0,0|2,0,1]=4 26 B9R1.8 COC[C@H]1CNCCO1 77672 [0,0,0,1,0,0|2,0,1]=4 27 B9R1.8 N#C\C=C1/CCCOC1 P17918 [0,0,0,1,0,0|2,0,1]=4 28 B9R1.8 NCCC1CCCCC1 24486 [0,0,0,1,0,0|1,0,2]=4 29 B9R1.8 NCCC1CCCCC1 55664 [0,0,0,1,0,0|1,0,2]=4 30 B9R1.8 OCCC1CCOCC1 62381 [0,0,0,1,0,0|1,0,2]=4 31 B9R1.8 OCCN1CCSCC1 O10852 [0,0,0,1,0,0|2,0,1]=4 32 B9R1.8 OCC[C@H]1CCCCN1 62347 [0,0,0,1,0,0|1,0,2]=4 33 B9R1.8 OCC[C@H]1CCCCN1 88407 [0,0,0,1,0,0|1,0,2]=4 34 B9R1.8 OCC[C@H]1CCCCN1 F30243 [0,0,0,1,0,0|1,0,2]=4 35 B9R1.8 OCC[C@H]1CCCNC1 W17542 [0,0,0,1,0,0|1,0,2]=4 36 B9R1.8 OCC[C@H]1CNCCO1 F13466 [0,0,0,1,0,0|2,0,1]=4 37 B9R1.12 CCNCC1=CC=CO1 C77903 [0,0,0,1,0,0|1,0,2]=4 38 B9R1.12 OCCOC1CCCC1 31903 [0,0,0,1,0,0|1,0,1]=3 39 B9R1.15 CC1CCCCC1CN 72191 [0,0,0,1,0,0|1,0,2]=4 40 B9R1.15 CC1CCCNC1CO 72650 [0,0,0,1,0,0|1,0,1]=3 41 B9R1.15 CN1CCCC[C@@H]1CO O10154 [0,0,0,1,0,0|1,0,2]=4 42 B9R1.15 CN1CCCC[C@@H]1CO O10190 [0,0,0,1,0,0|1,0,2]=4 43 B9R1.15 CN[C@H]1CCCC[C@@H]1O D94629 [0,0,0,1,0,0|1,0,2]=4 44 B9R1.15 CO[C@H]1CCNC[C@@H]1O P15068 [0,0,0,1,0,0|2,0,1]=4 45 B9R1.15 NC[C@@H]1CCNC[C@@H]1O P20455 [0,0,0,1,0,0|2,0,1]=4 46 B9R1.15 NC[C@H]1CCNC[C@@H]1O P16383 [0,0,0,1,0,0|2,0,1]=4 47 B9R1.15 N[C@H]1CCCC[C@H]1CO P19621 [0,0,0,1,0,0|1,0,2]=4 48 B9R1.15 OCC1=C(Br)CCCC1 AC8357 [0,0,0,1,0,0|1,0,2]=4 49 B9R1.15 OCC1CCNCC1O 72831 [0,0,0,1,0,0|2,0,1]=4 50 B9R1.33 CN1CCC[C@@H]1CCO 27869 [0,0,0,1,0,0|1,0,2]=4 51 B9R1.33 CN1CCC[C@@H]1CCO 27876 [0,0,0,1,0,0|1,0,2]=4 52 B9R1.50 OC1CNCCCNC1 77719 [0,0,0,1,0,0|2,0,1]=4 53 B9R1.50 O[C@@H]1C=CCCCCC1 AT23384 [0,0,0,1,0,0|0,0,0]=1 54 B9R1.50 O[C@@H]1CCC=CCCC1 C76726 [0,0,0,1,0,0|2,0,0]=3 55 B9R1.89 CCN1CCCCCC1 A11156 [0,0,0,1,0,0|2,0,1]=4 56 B9R1.89 OC[C@H]1CCCCCN1 C12372 [0,0,0,1,0,0|1,0,1]=3 57 B9R1.89 OC[C@H]1CCCCNC1 P12855 [0,0,0,1,0,0|1,0,2]=4 58 B9R1.89 OC[C@H]1CNCCCO1 32212 [0,0,0,1,0,0|2,0,1]=4 59 B9R1.89 OC[C@H]1CNCCCO1 53535 [0,0,0,1,0,0|2,0,1]=4 60 B9R1.103 C1CCCCNCCC1 T72630 [0,0,0,1,0,0|1,0,2]=4 61 B6R0.6 C=CCNCCO W12833 [2,0,0,0,0,0|2,0,0]=4 62 B6R0.6 CC#CCCCO W16152 [2,0,0,0,0,0|0,0,2]=4 63 B6R0.6 CCOCCCBr A11082 [2,0,0,0,0,0|2,0,0]=4 64 B6R0.6 CC\C=C/CCI 98107 [2,0,0,0,0,0|2,0,0]=4 65 B6R0.6 CNCCCCBr C74879 [2,0,0,0,0,0|2,0,0]=4 66 B6R0.6 CNCCCCN D80538 [2,0,0,0,0,0|2,0,0]=4 67 B6R0.6 NCCCCCBr 97997 [2,0,0,0,0,0|2,0,0]=4 68 B6R0.6 OCCCCCO D77911 [2,0,0,0,0,0|1,0,0]=3 69 B6R0.6 OCCOCCF AT25497 [2,0,0,0,0,0|2,0,0]=4 70 B8R0.1 CCCC[C@H](C)CCO D93301 [1,1,0,0,0,0|0,0,1]=3 71 B8R0.1 CCC[C@H](C)CCCO A12859 [1,1,0,0,0,0|0,0,1]=3 72 B8R0.6 CCCCCC(=O)CBr C73149 [1,1,0,0,0,0|1,0,0]=3 73 B8R0.7 NCCCCCC(=O)O P19609 [1,1,0,0,0,0|1,0,1]=4 74 B10R0.74 NCC(=O)NCCCCCBr D84097 [0,2,0,0,0,0|2,0,0]=4 75 B10R0.1 CCCCNCC(=O)OCC AB3730 [0,2,0,0,0,0|2,0,0]=4 76 B10R0.83 CCCCCC(=O)[C@@H](C)CC D84197 [0,2,0,0,0,0|1,0,1]=4 77 B10R0.91 CCCCNC(=O)OCCO D93331 [0,2,0,0,0,0|1,0,1]=4 78 B10R0.71 OCCOCCCOCCO D84669 [0,2,0,0,0,0|1,0,1]=4 79 B8R1.2 BrCC1=CCCCC1 37274 [1,0,0,1,0,0|1,0,0]=3 80 B8R1.2 CCC1CCNCC1 W10090 [1,0,0,1,0,0|1,0,1]=4 81 B8R1.2 CC[C@H]1CCCCN1 Y10457 [1,0,0,1,0,0|1,0,1]=4 82 B8R1.2 COC1=NCCCC1 D87703 [1,0,0,1,0,0|2,0,0]=4 83 B8R1.2 ICC1CCCCC1 AC1131 [1,0,0,1,0,0|1,0,1]=4 84 B8R1.2 IC[C@H]1CCCCO1 P19885 [1,0,0,1,0,0|1,0,1]=4 85 B8R1.2 O=CN1CCCCC1 D77795 [1,0,0,1,0,0|1,0,1]=4 86 B8R1.2 OC[C@H]1CCCNC1 36372 [1,0,0,1,0,0|1,0,1]=4 87 B8R1.2 OC[C@H]1CCCNC1 F14592 [1,0,0,1,0,0|1,0,1]=4 88 B8R1.2 OC[C@H]1CCCNC1 H10949 [1,0,0,1,0,0|1,0,1]=4 89 B8R1.2 OC[C@H]1CCCOC1 38674 [1,0,0,1,0,0|1,0,1]=4 90 B8R1.5 CC1CCNCC1O 38882 [1,0,0,1,0,0|1,0,1]=4 91 B8R1.5 CC1CNCCC1O 20765 [1,0,0,1,0,0|1,0,1]=4 92 B8R1.5 CC1CNCCC1O 33365 [1,0,0,1,0,0|1,0,1]=4 93 B8R1.5 C[C@@H]1CCCC[C@@H]1N Y10408 [1,0,0,1,0,0|1,0,1]=4 94 B8R1.5 C[C@@H]1CCCC[C@@H]1N Y10409 [1,0,0,1,0,0|1,0,1]=4 95 B8R1.5 C[C@H]1CCCCC1=O D77719 [1,0,0,1,0,0|0,0,2]=4 96 B8R1.5 C[C@H]1CCCN[C@H]1C P18680 [1,0,0,1,0,0|1,0,1]=4 97 B8R1.5 C[C@H]1CCCOC1=O AB4082 [1,0,0,1,0,0|1,0,1]=4 98 B8R1.5 C[C@H]1CCNC[C@@H]1O 38883 [1,0,0,1,0,0|1,0,1]=4 99 B8R1.5 C[C@H]1CNCC[C@@H]1O P15603 [1,0,0,1,0,0|1,0,1]=4 100 B8R1.5 O[C@H]1CCCC[C@@H]1O C14127 [1,0,0,1,0,0|1,0,1]=4 101 B8R1.8 BrCCC1CCCC1 C78009 [1,0,0,1,0,0|1,0,1]=4 102 B8R1.8 ClCCC1CCCC1 AC1057 [1,0,0,1,0,0|1,0,1]=4 103 B8R1.8 N#CC=C1CCCC1 20860 [1,0,0,1,0,0|1,0,1]=4 104 B8R1.8 O=CCC1CCCC1 F11683 [1,0,0,1,0,0|0,0,2]=4 105 B8R1.8 OCC[C@H]1CCCN1 50275 [1,0,0,1,0,0|1,0,1]=4 106 B8R1.8 OCC[C@H]1CCCN1 62964 [1,0,0,1,0,0|1,0,1]=4 107 B8R1.10 OCCCC1COC1 89590 [1,0,0,1,0,0|1,0,1]=4 108 B8R1.10 OCCCN1CCC1 70850 [1,0,0,1,0,0|1,0,1]=4 109 B8R1.11 CN[C@@H]1CCC[C@@H]1O D96687 [1,0,0,1,0,0|1,0,1]=4 110 B8R1.11 CN[C@@H]1CCC[C@@H]1O D97032 [1,0,0,1,0,0|1,0,1]=4 111 B8R1.11 CN[C@H]1CCC[C@@H]1O D97028 [1,0,0,1,0,0|1,0,1]=4 112 B8R1.11 C[C@H]1CNC[C@@H]1CO C77269 [1,0,0,1,0,0|1,0,1]=4 113 B8R1.11 O=C1CCC=C1CO E70389 [1,0,0,1,0,0|1,0,1]=4 114 B8R1.12 OC[C@H]1CC[C@H]1CO W19717 [1,0,0,1,0,0|1,0,1]=4 115 B8R1.22 BrC1CCCCCC1 F53566 [1,0,0,1,0,0|1,0,1]=4 116 B8R1.22 C[C@H]1CCCCCN1 D79537 [1,0,0,1,0,0|1,0,1]=4 117 B8R1.22 C[C@H]1CCCCCN1 D79538 [1,0,0,1,0,0|1,0,1]=4 118 B8R1.22 C[C@H]1CCCCCN1 W10101 [1,0,0,1,0,0|1,0,1]=4 119 B8R1.22 C[C@H]1CCCCNC1 72971 [1,0,0,1,0,0|1,0,1]=4 120 B8R1.22 C[C@H]1CNCCCO1 72856 [1,0,0,1,0,0|1,0,1]=4 121 B8R1.22 NC1=NCCCCC1 D85903 [1,0,0,1,0,0|2,0,0]=4 122 B8R1.22 O=C1CCCCCN1 D94502 [1,0,0,1,0,0|1,0,1]=4 123 B8R1.36 OCCCC[C@H]1CO1 F52608 [1,0,0,1,0,0|1,0,1]=4 124 B8R1.36 OCCNCC1CC1 AC1354 [1,0,0,1,0,0|1,0,1]=4 125 B8R1.49 C1=CCCC=CCC1 A11943 [1,0,0,1,0,0|0,0,2]=4 126 B8R1.49 C1=CCCC=CCC1 C10709 [1,0,0,1,0,0|0,0,2]=4 127 B8R1.49 C1=CCCC=CCC1 D94664 [1,0,0,1,0,0|0,0,2]=4 128 B8R1.49 C1=CCCC=CCC1 F16608 [1,0,0,1,0,0|0,0,2]=4 129 B8R1.49 C1=CCCC=CCC1 F16639 [1,0,0,1,0,0|0,0,2]=4 130 B8R1.49 C1=CCCC=CCC1 H10532 [1,0,0,1,0,0|0,0,2]=4 131 B8R1.49 C1=CCCC=CCC1 O11699 [1,0,0,1,0,0|0,0,2]=4 132 B8R1.49 C1=CCCC=CCC1 S12179 [1,0,0,1,0,0|0,0,2]=4 133 B8R1.49 C1=CCCC=CCC1 T72889 [1,0,0,1,0,0|0,0,2]=4 134 B10R1.16 CCCCC1OCC(C)O1 D93006 [0,1,0,1,0,0|1,0,1]=4 135 B10R1.16 CCCC[C@H]1CCC(=O)O1 AC2057 [0,1,0,1,0,0|2,0,0]=4 136 B10R1.18 CC(=O)C=C1CCCCC1 W15953 [0,1,0,1,0,0|0,0,2]=4 137 B10R1.18 O=C(O)C=C1CCNCC1 D71979 [0,1,0,1,0,0|1,0,1]=4 138 B10R1.61 CC(C)C1CCCCC1O C77548 [0,1,0,1,0,0|0,0,2]=4 139 B10R1.78 O=C1CCCCCCCC1 AC8766 [0,1,0,1,0,0|1,0,1]=4 140 B10R1.78 O=C1CCCCCCCN1 D74918 [0,1,0,1,0,0|2,0,0]=4 141 B10R1.245 CC1CCCC(C)C1CO P18073 [0,1,0,1,0,0|0,0,2]=4 142 B10R1.17 CCNC[C@H]1CNCCO1 AB1553 [0,1,0,1,0,0|1,0,1]=4 143 B10R1.17 OCCC[C@H]1CCCCN1 59724 [0,1,0,1,0,0|0,0,2]=4 144 B10R1.17 OCCC[C@H]1CCCNC1 AC1697 [0,1,0,1,0,0|0,0,2]=4 145 B10R1.17 OCCNC1CCOCC1 D97603 [0,1,0,1,0,0|1,0,1]=4 146 B10R1.17 OCCOC1CCNCC1 C77513 [0,1,0,1,0,0|1,0,1]=4 147 B10R1.17 OCCOC1CCOCC1 W16008 [0,1,0,1,0,0|1,0,1]=4 148 B10R1.5 CCCN1C=NC=C1CO P12457 [0,1,0,1,0,0|1,0,1]=4 149 B10R1.1 NC1CCC(CCO)CC1 S10769 [0,1,0,1,0,0|0,0,2]=4 150 B10R1.1 OCCC1CCC(O)CC1 F17096 [0,1,0,1,0,0|0,0,2]=4 151 B10R1.15 CCC(=O)C1CCCCC1 F53827 [0,1,0,1,0,0|1,0,1]=4 152 B10R1.15 NCC(=O)N1CCCCC1 F21140 [0,1,0,1,0,0|2,0,0]=4 153 B10R1.15 O=C(CBr)N1CCCCC1 S12026 [0,1,0,1,0,0|2,0,0]=4 154 B10R1.15 O=C(CO)C1CCCCC1 D93099 [0,1,0,1,0,0|0,0,1]=3 155 B10R1.15 O=C(CO)N1CCOCC1 W10210 [0,1,0,1,0,0|2,0,0]=4 156 B10R2.6 C1CO[C@H](C2CC2)CN1 F20609 [0,0,0,2,0,0|1,0,1]=4 157 B10R2.7 C1CC2NCCOC2C1 D79202 [0,0,0,2,0,0|1,0,1]=4 158 B10R2.7 C1CCC2COCC2C1 D93889 [0,0,0,2,0,0|0,0,2]=4 159 B10R2.7 C1C[C@@H]2OCCN[C@@H]2C1 D78871 [0,0,0,2,0,0|1,0,1]=4 160 B10R2.7 C1C[C@@H]2OCCN[C@@H]2C1 D78872 [0,0,0,2,0,0|1,0,1]=4 161 B10R2.7 C1C[C@@H]2OCCN[C@@H]2C1 D79368 [0,0,0,2,0,0|1,0,1]=4 162 B10R2.62 O[C@H]1CC2CCC1CC2 C73587 [0,0,0,2,0,0|0,0,2]=4 163 B10R2.484 C1CC2(C1)CNCCO2 33374 [0,0,0,2,0,0|1,0,1]=4 164 B10R2.99 N#CC1CC2C=CC1O2 N16875 [0,0,0,2,0,0|1,0,1]=4 165 B10R2.99 OCC1CC2C=CC1C2 F16263 [0,0,0,2,0,0|2,0,0]=4 166 B10R2.15 O[C@H]1CNCCC12CC2 53030 [0,0,0,2,0,0|1,0,1]=4