0 B7R0.1 CCCNCCCO AB4057 [0,0,0,0,0,0|1,0,1]=2 1 B7R0.1 CNCCOCCO C70229 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.1 FCCCCCCBr A50948 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.1 NCCCCCCBr D83295 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.1 NCCCCCCS F31196 [0,0,0,0,0,0|1,1,2]=4 5 B7R0.1 NCCCNCCS W12623 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.1 NCCCOCCO W11222 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.6 C=CCNCCO W12833 [1,0,0,0,0,0|1,0,2]=4 8 B6R0.6 CC#CCCCO W16152 [1,0,0,0,0,0|0,0,2]=3 9 B6R0.6 CCOCCCBr A11082 [1,0,0,0,0,0|2,0,0]=3 10 B6R0.6 CCOCCON W15834 [1,0,0,0,0,0|3,0,0]=4 11 B6R0.6 CC\C=C/CCI 98107 [1,0,0,0,0,0|1,0,0]=2 12 B6R0.6 CNCCCCBr C74879 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.6 CNCCCCN D80538 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.6 NCCCCCBr 97997 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.6 OCCCCCO D77911 [1,0,0,0,0,0|1,0,1]=3 16 B6R0.6 OCCOCCF AT25497 [1,0,0,0,0,0|2,0,1]=4 17 B8R0.1 CCCC(=O)OCCO D81566 [0,1,0,0,0,0|1,0,1]=3 18 B8R0.1 CCCC[C@H](C)CCO D93301 [0,1,0,0,0,0|0,0,2]=3 19 B8R0.1 CCC[C@H](C)CCCO A12859 [0,1,0,0,0,0|0,0,2]=3 20 B8R0.1 CCNC(=O)NCCN AR2426 [0,1,0,0,0,0|3,0,0]=4 21 B8R0.1 CCOC(=O)CCC#N 82565 [0,1,0,0,0,0|2,0,1]=4 22 B8R0.1 CCOC(=O)CCC=O AB9300 [0,1,0,0,0,0|1,0,2]=4 23 B8R0.1 CCOC(=O)CCCO C91677 [0,1,0,0,0,0|1,0,0]=2 24 B8R0.4 COCCCCCCBr S10679 [0,1,0,0,0,0|1,0,2]=4 25 B8R0.4 ClCCCOCCCCl FD13137 [0,1,0,0,0,0|2,0,1]=4 26 B8R0.4 NCCCOCCCO D84663 [0,1,0,0,0,0|1,0,1]=3 27 B8R0.4 OCCCOCCCO AT19326 [0,1,0,0,0,0|1,0,1]=3 28 B8R0.6 CCCCCC(=O)CBr C73149 [0,1,0,0,0,0|2,0,1]=4 29 B8R0.6 COC(=O)COCCO D84694 [0,1,0,0,0,0|2,0,1]=4 30 B8R1.2 BrCC1=CCCCC1 37274 [0,0,0,1,0,0|2,0,0]=3 31 B8R1.2 BrC[C@H]1CCCNC1 AC3913 [0,0,0,1,0,0|2,0,1]=4 32 B8R1.2 BrC[C@H]1CCCOC1 38662 [0,0,0,1,0,0|2,0,1]=4 33 B8R1.2 CCC1CCNCC1 W10090 [0,0,0,1,0,0|2,0,1]=4 34 B8R1.2 CC[C@H]1CCCCN1 Y10457 [0,0,0,1,0,0|1,0,2]=4 35 B8R1.2 COC1=NCCCC1 D87703 [0,0,0,1,0,0|2,0,1]=4 36 B8R1.2 ClCC1CCNCC1 P17439 [0,0,0,1,0,0|2,0,1]=4 37 B8R1.2 ClCC1CCOCC1 C77585 [0,0,0,1,0,0|2,0,1]=4 38 B8R1.2 FCC1CCNCC1 F10330 [0,0,0,1,0,0|2,0,1]=4 39 B8R1.2 FC[C@H]1CCCNC1 24250 [0,0,0,1,0,0|2,0,1]=4 40 B8R1.2 ICC1CCCCC1 AC1131 [0,0,0,1,0,0|1,0,2]=4 41 B8R1.2 IC[C@H]1CCCCO1 P19885 [0,0,0,1,0,0|1,0,2]=4 42 B8R1.2 IC[C@H]1CCCOC1 P20725 [0,0,0,1,0,0|2,0,1]=4 43 B8R1.2 NCC1CCSCC1 P11855 [0,0,0,1,0,0|2,0,1]=4 44 B8R1.2 NCC1CCSCC1 P17457 [0,0,0,1,0,0|2,0,1]=4 45 B8R1.2 NC[C@H]1CCCOC1 SC1491 [0,0,0,1,0,0|2,0,1]=4 46 B8R1.2 OC[C@H]1CCCNC1 36372 [0,0,0,1,0,0|1,0,1]=3 47 B8R1.2 OC[C@H]1CCCNC1 F14592 [0,0,0,1,0,0|1,0,1]=3 48 B8R1.2 OC[C@H]1CCCNC1 H10949 [0,0,0,1,0,0|1,0,1]=3 49 B8R1.2 OC[C@H]1CCCOC1 38674 [0,0,0,1,0,0|1,0,1]=3 50 B8R1.2 OC[C@H]1CNCCN1 C14871 [0,0,0,1,0,0|2,0,1]=4 51 B8R1.2 OC[C@H]1CNCCN1 I11571 [0,0,0,1,0,0|2,0,1]=4 52 B8R1.2 OC[C@H]1CNCCO1 25692 [0,0,0,1,0,0|2,0,1]=4 53 B8R1.2 OC[C@H]1CNCCO1 SC3851 [0,0,0,1,0,0|2,0,1]=4 54 B8R1.2 OC[C@H]1COCCN1 25689 [0,0,0,1,0,0|2,0,1]=4 55 B8R1.2 OC[C@H]1COCCN1 26203 [0,0,0,1,0,0|2,0,1]=4 56 B8R1.2 OC[C@H]1COCCN1 P15853 [0,0,0,1,0,0|2,0,1]=4 57 B8R1.2 OC[C@H]1COCCO1 Y10090 [0,0,0,1,0,0|2,0,1]=4 58 B8R1.2 OC[C@H]1COCCO1 Y10091 [0,0,0,1,0,0|2,0,1]=4 59 B8R1.5 CC1CCNCC1O 38882 [0,0,0,1,0,0|1,0,2]=4 60 B8R1.5 CC1CNCCC1O 20765 [0,0,0,1,0,0|1,0,1]=3 61 B8R1.5 CC1CNCCC1O 33365 [0,0,0,1,0,0|1,0,1]=3 62 B8R1.5 CC1COCCC1N 33469 [0,0,0,1,0,0|2,0,1]=4 63 B8R1.5 C[C@@H]1CCCC[C@@H]1N Y10408 [0,0,0,1,0,0|1,0,2]=4 64 B8R1.5 C[C@@H]1CCCC[C@@H]1N Y10409 [0,0,0,1,0,0|1,0,2]=4 65 B8R1.5 C[C@@H]1COCC[C@@H]1N P14106 [0,0,0,1,0,0|2,0,1]=4 66 B8R1.5 C[C@H]1CCCN[C@H]1C P18680 [0,0,0,1,0,0|2,0,1]=4 67 B8R1.5 C[C@H]1CCNC[C@@H]1O 38883 [0,0,0,1,0,0|1,0,2]=4 68 B8R1.5 C[C@H]1CNCC[C@@H]1O P15603 [0,0,0,1,0,0|1,0,1]=3 69 B8R1.5 C[C@H]1COCC[C@@H]1N P15602 [0,0,0,1,0,0|2,0,1]=4 70 B8R1.5 N[C@@H]1COCC[C@@H]1O P16186 [0,0,0,1,0,0|2,0,1]=4 71 B8R1.5 N[C@H]1COCC[C@@H]1O P14664 [0,0,0,1,0,0|2,0,1]=4 72 B8R1.5 OC1CCOCC1F P14713 [0,0,0,1,0,0|2,0,1]=4 73 B8R1.5 O[C@@H]1CCNC[C@@H]1F 37699 [0,0,0,1,0,0|2,0,1]=4 74 B8R1.5 O[C@@H]1CCNC[C@@H]1F 39257 [0,0,0,1,0,0|2,0,1]=4 75 B8R1.5 O[C@@H]1CCNC[C@@H]1F P15698 [0,0,0,1,0,0|2,0,1]=4 76 B8R1.5 O[C@H]1CCCC[C@@H]1O C14127 [0,0,0,1,0,0|1,0,2]=4 77 B8R1.5 O[C@H]1CCNC[C@@H]1F 37698 [0,0,0,1,0,0|2,0,1]=4 78 B8R1.5 O[C@H]1CCNC[C@@H]1F P13776 [0,0,0,1,0,0|2,0,1]=4 79 B8R1.5 O[C@H]1CCNC[C@@H]1O P10847 [0,0,0,1,0,0|2,0,1]=4 80 B8R1.5 O[C@H]1CCNC[C@@H]1O P17759 [0,0,0,1,0,0|2,0,1]=4 81 B8R1.5 O[C@H]1CNCC[C@H]1O P15637 [0,0,0,1,0,0|2,0,1]=4 82 B8R1.8 BrCCC1CCCC1 C78009 [0,0,0,1,0,0|1,0,2]=4 83 B8R1.8 ClCCC1CCCC1 AC1057 [0,0,0,1,0,0|1,0,2]=4 84 B8R1.8 N#CC=C1CCCC1 20860 [0,0,0,1,0,0|2,0,1]=4 85 B8R1.8 OCCC1=CC=CN1 AB10351 [0,0,0,1,0,0|1,0,2]=4 86 B8R1.8 OCCC1=CC=CO1 W10532 [0,0,0,1,0,0|1,0,2]=4 87 B8R1.8 OCCC1=COC=C1 D93026 [0,0,0,1,0,0|1,0,2]=4 88 B8R1.8 OCCC1=NNC=C1 22974 [0,0,0,1,0,0|2,0,1]=4 89 B8R1.8 OCCC1OCCO1 W16263 [0,0,0,1,0,0|2,0,1]=4 90 B8R1.8 OCC[C@H]1CCCN1 50275 [0,0,0,1,0,0|1,0,1]=3 91 B8R1.8 OCC[C@H]1CCCN1 62964 [0,0,0,1,0,0|1,0,1]=3 92 B8R1.10 OCCCC1COC1 89590 [0,0,0,1,0,0|1,0,2]=4 93 B8R1.10 OCCCN1CCC1 70850 [0,0,0,1,0,0|1,0,1]=3 94 B8R1.11 CN1C=CC=C1CO D82110 [0,0,0,1,0,0|1,0,2]=4 95 B8R1.11 CN[C@@H]1CCC[C@@H]1O D96687 [0,0,0,1,0,0|1,0,2]=4 96 B8R1.11 CN[C@@H]1CCC[C@@H]1O D97032 [0,0,0,1,0,0|1,0,2]=4 97 B8R1.11 CN[C@H]1CCC[C@@H]1O D97028 [0,0,0,1,0,0|1,0,2]=4 98 B8R1.11 C[C@H]1CNC[C@@H]1CO C77269 [0,0,0,1,0,0|1,0,1]=3 99 B8R1.11 O=C1CCC=C1CO E70389 [0,0,0,1,0,0|1,0,2]=4 100 B8R1.11 OCC1CNCC1O 73097 [0,0,0,1,0,0|2,0,1]=4 101 B8R1.12 OC[C@H]1CC[C@H]1CO W19717 [0,0,0,1,0,0|1,0,2]=4 102 B8R1.22 BrC1CCCCCC1 F53566 [0,0,0,1,0,0|1,0,2]=4 103 B8R1.22 C[C@H]1CCCCCN1 D79537 [0,0,0,1,0,0|1,0,2]=4 104 B8R1.22 C[C@H]1CCCCCN1 D79538 [0,0,0,1,0,0|1,0,2]=4 105 B8R1.22 C[C@H]1CCCCCN1 W10101 [0,0,0,1,0,0|1,0,2]=4 106 B8R1.22 C[C@H]1CCCCNC1 72971 [0,0,0,1,0,0|2,0,1]=4 107 B8R1.22 C[C@H]1CNCCCO1 72856 [0,0,0,1,0,0|1,0,1]=3 108 B8R1.22 N[C@H]1CCCNCC1 36658 [0,0,0,1,0,0|2,0,1]=4 109 B8R1.36 OCCCC[C@H]1CO1 F52608 [0,0,0,1,0,0|1,0,2]=4 110 B8R1.36 OCCNCC1CC1 AC1354 [0,0,0,1,0,0|1,0,2]=4 111 B8R1.49 C1=CCCC=CCC1 A11943 [0,0,0,1,0,0|1,0,1]=3 112 B8R1.49 C1=CCCC=CCC1 C10709 [0,0,0,1,0,0|1,0,1]=3 113 B8R1.49 C1=CCCC=CCC1 D94664 [0,0,0,1,0,0|1,0,1]=3 114 B8R1.49 C1=CCCC=CCC1 F16608 [0,0,0,1,0,0|1,0,1]=3 115 B8R1.49 C1=CCCC=CCC1 F16639 [0,0,0,1,0,0|1,0,1]=3 116 B8R1.49 C1=CCCC=CCC1 H10532 [0,0,0,1,0,0|1,0,1]=3 117 B8R1.49 C1=CCCC=CCC1 O11699 [0,0,0,1,0,0|1,0,1]=3 118 B8R1.49 C1=CCCC=CCC1 S12179 [0,0,0,1,0,0|1,0,1]=3 119 B8R1.49 C1=CCCC=CCC1 T72889 [0,0,0,1,0,0|1,0,1]=3 120 B5R0.2 C#CCCC=C T71785 [2,0,0,0,0,0|1,0,1]=4 121 B5R0.2 C=CCCNC W16107 [2,0,0,0,0,0|2,0,0]=4 122 B5R0.2 CCCCON 31644 [2,0,0,0,0,0|2,0,0]=4 123 B5R0.2 COCCCO D77912 [2,0,0,0,0,0|1,0,0]=3 124 B5R0.2 NCCCCCl F19552 [2,0,0,0,0,0|2,0,0]=4 125 B5R0.2 NC\C=C\CN E70437 [2,0,0,0,0,0|2,0,0]=4 126 B5R0.2 NNCCCO AB9423 [2,0,0,0,0,0|2,0,0]=4 127 B5R0.2 O=CCCCO 55817 [2,0,0,0,0,0|1,0,0]=3 128 B7R0.3 CCC(=O)OCCO A11774 [1,1,0,0,0,0|1,0,0]=3 129 B7R0.3 COC(=O)CCCI F19766 [1,1,0,0,0,0|2,0,0]=4 130 B7R0.4 CC(=O)CCCCBr O11558 [1,1,0,0,0,0|1,0,1]=4 131 B7R0.4 CC(=O)OCCCBr C75766 [1,1,0,0,0,0|2,0,0]=4 132 B7R0.4 CC(C)CCCCBr C74820 [1,1,0,0,0,0|1,0,1]=4 133 B7R0.4 CCCNCC(C)C AC1640 [1,1,0,0,0,0|1,0,1]=4 134 B7R0.4 C[C@H](Cl)CCCCCl A12620 [1,1,0,0,0,0|1,0,1]=4 135 B7R0.7 CCC[C@H](Br)CCBr D94373 [1,1,0,0,0,0|1,0,1]=4 136 B7R0.7 CCC[C@H](N)CCO AT20461 [1,1,0,0,0,0|0,0,1]=3 137 B7R0.7 CCC[C@H](N)CCO I11080 [1,1,0,0,0,0|0,0,1]=3 138 B7R0.7 CCC[C@H](N)CCO N12794 [1,1,0,0,0,0|0,0,1]=3 139 B7R0.7 CCNC(=O)CCCl Y14703 [1,1,0,0,0,0|2,0,0]=4 140 B7R0.7 CCNC(=O)CNC A12930 [1,1,0,0,0,0|2,0,0]=4 141 B7R0.7 COC[C@@H](N)CCO AT12992 [1,1,0,0,0,0|1,0,1]=4 142 B9R0.5 CCCCC[C@H](O)CCO A10789 [0,2,0,0,0,0|0,0,2]=4 143 B9R0.5 CCOC(=O)CCCC#N 84960 [0,2,0,0,0,0|2,0,0]=4 144 B9R0.5 CCOC(=O)CCCC=O N10598 [0,2,0,0,0,0|1,0,1]=4 145 B9R0.5 CCOC(=O)CCCCN 23836 [0,2,0,0,0,0|1,0,1]=4 146 B9R0.5 CCOC(=O)\C=C\CCBr I11241 [0,2,0,0,0,0|1,0,1]=4 147 B9R0.5 CCOC(=O)\C=C\CCO W16297 [0,2,0,0,0,0|0,0,1]=3 148 B9R0.34 CCOC(=O)C[C@@H](C)CC D78451 [0,2,0,0,0,0|2,0,0]=4 149 B9R0.34 CCOC(=O)C[C@H](O)CCl 32733 [0,2,0,0,0,0|2,0,0]=4 150 B9R0.48 CCOC(=O)CC[C@H](C)Br C77584 [0,2,0,0,0,0|2,0,0]=4 151 B9R0.2 CCC\C=C/CCC(=O)O E70288 [0,2,0,0,0,0|0,0,1]=3 152 B9R0.45 CCCCOCCCCO S11917 [0,2,0,0,0,0|0,0,2]=4 153 B9R0.45 CCCOCCOCCO D97202 [0,2,0,0,0,0|0,0,2]=4 154 B9R0.45 OCCOCCOCCBr S10706 [0,2,0,0,0,0|1,0,1]=4 155 B9R0.46 CCCCCC[C@H](O)CBr D93070 [0,2,0,0,0,0|0,0,2]=4 156 B9R0.1 CC(C)CCC[C@H](C)CO A11755 [0,2,0,0,0,0|0,0,2]=4 157 B9R0.24 CCC(C)CCC(C)CO D93170 [0,2,0,0,0,0|0,0,2]=4 158 B9R0.24 O=C(CS)OC[C@@H](O)CO H10926 [0,2,0,0,0,0|2,0,0]=4 159 B9R0.47 C=C(C)C(=O)OCCCO A12375 [0,2,0,0,0,0|1,0,1]=4 160 B7R1.1 BrCC1=CCCC1 37275 [1,0,0,1,0,0|1,0,0]=3 161 B7R1.1 BrC[C@H]1CCOC1 84096 [1,0,0,1,0,0|2,0,0]=4 162 B7R1.1 CC[C@H]1CCCN1 F16886 [1,0,0,1,0,0|1,0,1]=4 163 B7R1.1 CC[C@H]1CCNC1 P14869 [1,0,0,1,0,0|1,0,1]=4 164 B7R1.1 COC1=CCCC1 D93350 [1,0,0,1,0,0|1,0,0]=3 165 B7R1.1 FC[C@H]1CCNC1 P18731 [1,0,0,1,0,0|2,0,0]=4 166 B7R1.1 NCC1CCCC1 P10292 [1,0,0,1,0,0|1,0,1]=4 167 B7R1.1 NC[C@H]1CCCO1 83007 [1,0,0,1,0,0|1,0,1]=4 168 B7R1.1 NC[C@H]1CCCO1 S11127 [1,0,0,1,0,0|1,0,1]=4 169 B7R1.1 NC[C@H]1CCOC1 37316 [1,0,0,1,0,0|2,0,0]=4 170 B7R1.1 NC[C@H]1CCOC1 68891 [1,0,0,1,0,0|2,0,0]=4 171 B7R1.1 NC[C@H]1CCOC1 P12031 [1,0,0,1,0,0|2,0,0]=4 172 B7R1.1 O=CC1=CCCC1 26227 [1,0,0,1,0,0|1,0,1]=4 173 B7R1.1 O=CC1=CCCO1 D79895 [1,0,0,1,0,0|1,0,1]=4 174 B7R1.1 OC[C@H]1CCCO1 66575 [1,0,0,1,0,0|1,0,1]=4 175 B7R1.1 OC[C@H]1CCNC1 24481 [1,0,0,1,0,0|1,0,0]=3 176 B7R1.1 OC[C@H]1CCNC1 29239 [1,0,0,1,0,0|1,0,0]=3 177 B7R1.1 OC[C@H]1CCNC1 30959 [1,0,0,1,0,0|1,0,0]=3 178 B7R1.1 OC[C@H]1CCOC1 37313 [1,0,0,1,0,0|1,0,0]=3 179 B7R1.1 OC[C@H]1CCOC1 37314 [1,0,0,1,0,0|1,0,0]=3 180 B7R1.3 CC1=CCNCC1 A11257 [1,0,0,1,0,0|2,0,0]=4 181 B7R1.3 C[C@H]1CCCCN1 C73894 [1,0,0,1,0,0|1,0,1]=4 182 B7R1.3 C[C@H]1CCCNC1 36405 [1,0,0,1,0,0|1,0,1]=4 183 B7R1.3 C[C@H]1CNCCO1 24564 [1,0,0,1,0,0|1,0,1]=4 184 B7R1.3 C[C@H]1CNCCO1 27729 [1,0,0,1,0,0|1,0,1]=4 185 B7R1.3 C[C@H]1CNCCO1 F13460 [1,0,0,1,0,0|1,0,1]=4 186 B7R1.3 C[C@H]1CNCCO1 P11013 [1,0,0,1,0,0|1,0,1]=4 187 B7R1.3 N[C@@H]1C=CCCC1 D84435 [1,0,0,1,0,0|1,0,0]=3 188 B7R1.3 O[C@@H]1C=CCNC1 S11183 [1,0,0,1,0,0|2,0,0]=4 189 B7R1.3 O[C@H]1CCCOC1 P10754 [1,0,0,1,0,0|1,0,1]=4 190 B7R1.3 O[C@H]1CCCOC1 P10755 [1,0,0,1,0,0|1,0,1]=4 191 B7R1.3 SC1CCNCC1 39018 [1,0,0,1,0,0|1,1,0]=4 192 B7R1.3 SC1CCOCC1 AT12453 [1,0,0,1,0,0|1,1,0]=4 193 B7R1.4 CC1CNCC1C P18713 [1,0,0,1,0,0|1,0,1]=4 194 B7R1.4 C[C@@H]1CCC[C@@H]1N 72991 [1,0,0,1,0,0|1,0,1]=4 195 B7R1.4 C[C@@H]1CCC[C@@H]1O 72407 [1,0,0,1,0,0|0,0,1]=3 196 B7R1.4 C[C@@H]1CNC[C@@H]1O 72981 [1,0,0,1,0,0|1,0,1]=4 197 B7R1.4 C[C@H]1CCC[C@@H]1O 71002 [1,0,0,1,0,0|0,0,1]=3 198 B7R1.4 C[C@H]1CNC[C@@H]1O 72668 [1,0,0,1,0,0|1,0,1]=4 199 B7R1.4 C[C@H]1COC[C@@H]1O 73077 [1,0,0,1,0,0|1,0,1]=4 200 B7R1.4 N[C@@H]1CCC[C@@H]1O P10925 [1,0,0,1,0,0|1,0,1]=4 201 B7R1.4 N[C@H]1CCC[C@@H]1O 71753 [1,0,0,1,0,0|1,0,1]=4 202 B7R1.4 O=C1OCC[C@@H]1O F14291 [1,0,0,1,0,0|2,0,0]=4 203 B7R1.4 O[C@H]1CCC=C1Br D79898 [1,0,0,1,0,0|1,0,0]=3 204 B7R1.6 CCNC1CCC1 W19308 [1,0,0,1,0,0|1,0,1]=4 205 B7R1.6 CNC[C@H]1CCO1 D96714 [1,0,0,1,0,0|1,0,1]=4 206 B7R1.6 N#CC=C1CCC1 P11568 [1,0,0,1,0,0|1,0,1]=4 207 B7R1.6 NCCC1CCC1 P10851 [1,0,0,1,0,0|1,0,1]=4 208 B7R1.6 OCCC1CCC1 32129 [1,0,0,1,0,0|0,0,1]=3 209 B7R1.6 OCCC1CNC1 P16512 [1,0,0,1,0,0|1,0,1]=4 210 B7R1.6 OCCC1COC1 32759 [1,0,0,1,0,0|1,0,1]=4 211 B7R1.6 OCCN1CCC1 70839 [1,0,0,1,0,0|1,0,1]=4 212 B7R1.6 OCC[C@H]1CCO1 P17680 [1,0,0,1,0,0|1,0,0]=3 213 B7R1.7 C=CCC[C@H]1CO1 61994 [1,0,0,1,0,0|0,0,2]=4 214 B7R1.7 OCCCC1CC1 F52480 [1,0,0,1,0,0|0,0,1]=3 215 B7R1.8 CN1CC[C@@H]1CO 63438 [1,0,0,1,0,0|1,0,1]=4 216 B7R1.8 CN1CC[C@@H]1CO AT17142 [1,0,0,1,0,0|1,0,1]=4 217 B7R1.8 CN1CC[C@@H]1CO P18351 [1,0,0,1,0,0|1,0,1]=4 218 B7R1.8 O=C1CC[C@@H]1CO P13853 [1,0,0,1,0,0|1,0,1]=4 219 B7R1.9 NCC1CC1CO C14991 [1,0,0,1,0,0|1,0,1]=4 220 B7R1.9 OC[C@H]1C[C@H]1CO P16470 [1,0,0,1,0,0|1,0,1]=4 221 B7R1.24 C1CNCCOC1 80062 [1,0,0,1,0,0|1,0,0]=3 222 B9R1.2 CCC1=CC(=O)CCC1 A10067 [0,1,0,1,0,0|1,0,1]=4 223 B9R1.2 NC[C@H]1CCNC(=O)C1 37084 [0,1,0,1,0,0|2,0,0]=4 224 B9R1.2 NC[C@H]1CCNC(=O)C1 72532 [0,1,0,1,0,0|2,0,0]=4 225 B9R1.2 N[C@H]1CCC[C@H](CO)C1 D79005 [0,1,0,1,0,0|0,0,2]=4 226 B9R1.2 O=C1CCC[C@H](CO)C1 Y10198 [0,1,0,1,0,0|0,0,1]=3 227 B9R1.2 O=C1CCC[C@H](CO)N1 Y14667 [0,1,0,1,0,0|1,0,1]=4 228 B9R1.2 O=C1C[C@@H](CO)CCN1 37567 [0,1,0,1,0,0|1,0,0]=3 229 B9R1.2 OCC1CNCC(F)C1 72782 [0,1,0,1,0,0|1,0,1]=4 230 B9R1.7 CC1=CC=C(CCO)O1 F16227 [0,1,0,1,0,0|0,0,2]=4 231 B9R1.7 CCC[C@H]1CCC(=O)C1 A10517 [0,1,0,1,0,0|1,0,1]=4 232 B9R1.7 CN1CC[C@H](CCO)C1 37198 [0,1,0,1,0,0|1,0,1]=4 233 B9R1.8 BrCCN1CCCCO1 72888 [0,1,0,1,0,0|1,0,1]=4 234 B9R1.8 CCO[C@@H]1CNCCO1 Y10945 [0,1,0,1,0,0|1,0,1]=4 235 B9R1.8 COC[C@H]1CCCNC1 F11112 [0,1,0,1,0,0|1,0,1]=4 236 B9R1.8 N#C\C=C1/CCCOC1 P17918 [0,1,0,1,0,0|1,0,1]=4 237 B9R1.8 NCCN1CCCCO1 72735 [0,1,0,1,0,0|1,0,1]=4 238 B9R1.8 OCCC1CCOCC1 62381 [0,1,0,1,0,0|0,0,2]=4 239 B9R1.8 OCCN1CCSCC1 O10852 [0,1,0,1,0,0|1,0,1]=4 240 B9R1.8 OCC[C@H]1CCCCN1 62347 [0,1,0,1,0,0|0,0,2]=4 241 B9R1.8 OCC[C@H]1CCCCN1 88407 [0,1,0,1,0,0|0,0,2]=4 242 B9R1.8 OCC[C@H]1CCCCN1 F30243 [0,1,0,1,0,0|0,0,2]=4 243 B9R1.8 OCC[C@H]1CCCNC1 W17542 [0,1,0,1,0,0|0,0,2]=4 244 B9R1.8 OCC[C@H]1CNCCN1 27755 [0,1,0,1,0,0|1,0,1]=4 245 B9R1.8 OCC[C@H]1CNCCO1 F13466 [0,1,0,1,0,0|1,0,1]=4 246 B9R1.12 OCCCC1=CNC=N1 12540 [0,1,0,1,0,0|1,0,1]=4 247 B9R1.12 OCCCC1=CSC=C1 32572 [0,1,0,1,0,0|0,0,2]=4 248 B9R1.12 OCCOC1CCCC1 31903 [0,1,0,1,0,0|0,0,2]=4 249 B9R1.15 CC1CCCNC1CO 72650 [0,1,0,1,0,0|0,0,2]=4 250 B9R1.15 CC[C@@H]1NCCCC1=O 63470 [0,1,0,1,0,0|1,0,1]=4 251 B9R1.15 CN1CCCC[C@@H]1CO O10154 [0,1,0,1,0,0|0,0,2]=4 252 B9R1.15 CN1CCCC[C@@H]1CO O10190 [0,1,0,1,0,0|0,0,2]=4 253 B9R1.15 CN1CCNC[C@@H]1CO D85973 [0,1,0,1,0,0|1,0,1]=4 254 B9R1.15 CN1CCOC[C@@H]1CO 77628 [0,1,0,1,0,0|1,0,1]=4 255 B9R1.15 CN1CCOC[C@@H]1CO 77629 [0,1,0,1,0,0|1,0,1]=4 256 B9R1.15 CN1CCOC[C@@H]1CO W17675 [0,1,0,1,0,0|1,0,1]=4 257 B9R1.15 CN[C@H]1CCCC[C@@H]1O D94629 [0,1,0,1,0,0|0,0,2]=4 258 B9R1.15 N[C@H]1CCCC[C@H]1CO P19621 [0,1,0,1,0,0|0,0,2]=4 259 B9R1.15 OCC1=C(Br)CCCC1 AC8357 [0,1,0,1,0,0|2,0,0]=4 260 B9R1.15 OCC1CCNCC1O 72831 [0,1,0,1,0,0|1,0,1]=4 261 B9R1.15 OCC1CNCCC1O 73026 [0,1,0,1,0,0|1,0,1]=4 262 B9R1.15 OC[C@@H]1CCNC[C@@H]1F P14143 [0,1,0,1,0,0|1,0,1]=4 263 B9R1.33 CN1C=CC=C1CCO F13299 [0,1,0,1,0,0|0,0,2]=4 264 B9R1.33 CN1C=NC=C1CCO AT15579 [0,1,0,1,0,0|1,0,1]=4 265 B9R1.33 CN1CCC[C@@H]1CCO 27869 [0,1,0,1,0,0|0,0,2]=4 266 B9R1.33 CN1CCC[C@@H]1CCO 27876 [0,1,0,1,0,0|0,0,2]=4 267 B9R1.48 C[C@H]1CCCCC(=O)N1 W19298 [0,1,0,1,0,0|2,0,0]=4 268 B9R1.49 CN1CCC[C@H](O)CC1 63484 [0,1,0,1,0,0|1,0,1]=4 269 B9R1.49 O=C1CCC[C@H](O)CN1 N10631 [0,1,0,1,0,0|1,0,1]=4 270 B9R1.50 O[C@@H]1C=CCCCCC1 AT23384 [0,1,0,1,0,0|1,0,0]=3 271 B9R1.50 O[C@@H]1CCC=CCCC1 C76726 [0,1,0,1,0,0|0,0,0]=2 272 B9R1.69 CC1CC(=O)CCC1O Y10041 [0,1,0,1,0,0|0,0,1]=3 273 B9R1.73 CCOC(=N)C1CCC1 C13282 [0,1,0,1,0,0|2,0,0]=4 274 B9R1.117 OCCCC1(O)CCC1 P17638 [0,1,0,1,0,0|0,0,2]=4 275 B9R1.5 C[C@@H]1NCCCNC1=O F50270 [0,1,0,1,0,0|2,0,0]=4 276 B9R1.5 C[C@@H]1NCCCNC1=O F50344 [0,1,0,1,0,0|2,0,0]=4 277 B9R1.5 OC1CCNCCC1F 73002 [0,1,0,1,0,0|1,0,1]=4 278 B9R1.89 CO[C@H]1CCCNCC1 37044 [0,1,0,1,0,0|1,0,1]=4 279 B9R1.89 CO[C@H]1CCCNCC1 37045 [0,1,0,1,0,0|1,0,1]=4 280 B9R1.89 OC[C@H]1CCCCCN1 C12372 [0,1,0,1,0,0|0,0,2]=4 281 B9R1.89 OC[C@H]1CCCCNC1 P12855 [0,1,0,1,0,0|0,0,2]=4 282 B9R1.89 OC[C@H]1CNCCCO1 32212 [0,1,0,1,0,0|1,0,1]=4 283 B9R1.89 OC[C@H]1CNCCCO1 53535 [0,1,0,1,0,0|1,0,1]=4 284 B9R1.1 C=C1CCC(CO)CC1 F13032 [0,1,0,1,0,0|0,0,1]=3 285 B9R1.1 CC1CCC(CO)CN1 72671 [0,1,0,1,0,0|1,0,1]=4 286 B9R1.1 C[C@@H]1CC[C@H](CO)CN1 P15861 [0,1,0,1,0,0|1,0,1]=4 287 B9R1.1 NCC1CCC(=O)CC1 56684 [0,1,0,1,0,0|1,0,1]=4 288 B9R1.1 NC[C@H]1CCC(=O)NC1 37820 [0,1,0,1,0,0|2,0,0]=4 289 B9R1.1 N[C@H]1CC[C@@H](CO)CC1 39277 [0,1,0,1,0,0|0,0,2]=4 290 B9R1.1 O=C1CC[C@H](CO)CN1 C72773 [0,1,0,1,0,0|1,0,0]=3 291 B9R1.1 O=C1CO[C@@H](CO)CN1 AB7325 [0,1,0,1,0,0|2,0,0]=4 292 B9R1.1 O=C1CO[C@@H](CO)CN1 P10704 [0,1,0,1,0,0|2,0,0]=4 293 B9R1.1 O=C1CO[C@@H](CO)CN1 P10705 [0,1,0,1,0,0|2,0,0]=4 294 B9R1.1 OC[C@H]1CC[C@@H](O)CC1 P19128 [0,1,0,1,0,0|0,0,2]=4 295 B9R1.1 OC[C@H]1CC[C@H](O)CC1 T72373 [0,1,0,1,0,0|0,0,2]=4 296 B9R1.11 NC(CO)C1CCOC1 32326 [0,1,0,1,0,0|1,0,1]=4 297 B9R1.88 COC(=O)[C@H]1C[C@@H]1CO P20071 [0,1,0,1,0,0|1,0,1]=4 298 B9R1.118 CC1(CO)CCNCC1 26607 [0,1,0,1,0,0|1,0,1]=4 299 B9R1.118 CC1(CO)CCOCC1 31610 [0,1,0,1,0,0|1,0,1]=4 300 B9R1.118 C[C@]1(CO)CCCNC1 38434 [0,1,0,1,0,0|1,0,1]=4 301 B9R1.118 NC1(CO)CCNCC1 P19134 [0,1,0,1,0,0|1,0,1]=4 302 B9R1.118 NC1(CO)CCOCC1 30407 [0,1,0,1,0,0|1,0,1]=4 303 B9R1.118 NC1(CO)CCSCC1 AC1096 [0,1,0,1,0,0|1,0,1]=4 304 B9R1.118 OCC1(F)CCNCC1 37479 [0,1,0,1,0,0|1,0,1]=4 305 B9R1.118 OCC1(F)CCOCC1 38679 [0,1,0,1,0,0|1,0,1]=4 306 B9R1.118 OCC1(O)CCNCC1 37483 [0,1,0,1,0,0|1,0,1]=4 307 B9R1.118 OCC1(O)CCNCC1 70872 [0,1,0,1,0,0|1,0,1]=4 308 B9R1.118 OC[C@]1(O)CCCNC1 38750 [0,1,0,1,0,0|1,0,1]=4 309 B9R1.132 CN1C(=O)CC[C@@H]1CO 94188 [0,1,0,1,0,0|1,0,1]=4 310 B9R1.132 CN1C(=O)CC[C@@H]1CO 94193 [0,1,0,1,0,0|1,0,1]=4 311 B9R1.132 CN1C(=O)CC[C@@H]1CO S11484 [0,1,0,1,0,0|1,0,1]=4 312 B9R1.6 C[C@H](O)C1CCNCC1 50851 [0,1,0,1,0,0|1,0,1]=4 313 B9R1.6 C[C@H](O)C1CCOCC1 72533 [0,1,0,1,0,0|1,0,1]=4 314 B9R1.6 C[C@H](O)C1CCOCC1 D96636 [0,1,0,1,0,0|1,0,1]=4 315 B9R2.53 OC1[C@@H]2CNC[C@H]1C2 D97015 [0,0,0,2,0,0|1,0,1]=4 316 B9R2.56 OCC12CNCC1C2 38677 [0,0,0,2,0,0|1,0,1]=4 317 B9R2.56 OCC12COCC1C2 D79110 [0,0,0,2,0,0|1,0,1]=4 318 B9R2.65 OCC1C2COCC12 69809 [0,0,0,2,0,0|1,0,1]=4 319 B9R2.65 OC[C@@H]1[C@@H]2COC[C@@H]21 P14535 [0,0,0,2,0,0|1,0,1]=4 320 B9R2.65 OC[C@@H]1[C@H]2CNC[C@H]21 37491 [0,0,0,2,0,0|1,0,1]=4 321 B9R2.65 OC[C@H]1[C@@H]2COC[C@H]12 37929 [0,0,0,2,0,0|1,0,1]=4 322 B9R2.6 CC12CCCCC1O2 T71914 [0,0,0,2,0,0|0,0,2]=4 323 B9R2.39 OC1CC2CC1CN2 P15330 [0,0,0,2,0,0|1,0,1]=4 324 B9R2.39 OC1CC2CNC1C2 P20346 [0,0,0,2,0,0|1,0,1]=4 325 B9R2.39 O[C@H]1C[C@H]2CC[C@@H]1C2 P19938 [0,0,0,2,0,0|0,0,2]=4 326 B9R2.3 C1CC2CNCC2O1 81212 [0,0,0,2,0,0|1,0,1]=4 327 B9R2.3 C1NCC2COCC12 37833 [0,0,0,2,0,0|1,0,1]=4 328 B9R2.3 C1NCC2COCC12 84715 [0,0,0,2,0,0|1,0,1]=4 329 B9R2.3 C1NC[C@@H]2COC[C@H]12 FD6066 [0,0,0,2,0,0|1,0,1]=4 330 B9R2.3 C1NC[C@H]2COC[C@H]12 P20901 [0,0,0,2,0,0|1,0,1]=4 331 B9R2.173 C1CC2(CCO2)CN1 39215 [0,0,0,2,0,0|1,0,1]=4 332 B9R2.173 C1C[C@@]2(CCO2)CN1 32848 [0,0,0,2,0,0|1,0,1]=4