0 B8R0.4 C=CCCCCCC=O N11873 [0,0,0,0,0,0|0,0,2]=2 1 B8R0.4 C=CCCCCCCI W11175 [0,0,0,0,0,0|2,0,0]=2 2 B8R0.4 COCCCCCCBr S10679 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.4 COCCOCCOC D72523 [0,0,0,0,0,0|4,0,0]=4 4 B8R0.4 ClCCCOCCCCl FD13137 [0,0,0,0,0,0|3,0,1]=4 5 B8R0.4 NCCCOCCCO D84663 [0,0,0,0,0,0|2,0,2]=4 6 B8R0.4 OCCCOCCCO AT19326 [0,0,0,0,0,0|2,0,2]=4 7 B7R0.1 C=CCCCCNC R10008 [1,0,0,0,0,0|1,0,1]=3 8 B7R0.1 CCCNCCCO AB4057 [1,0,0,0,0,0|1,0,1]=3 9 B7R0.1 CNCCOCCO C70229 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.1 COCCOCCI AT13077 [1,0,0,0,0,0|3,0,0]=4 11 B7R0.1 COCOCCC=O 32199 [1,0,0,0,0,0|2,0,0]=3 12 B7R0.1 FCCCCCCBr A50948 [1,0,0,0,0,0|2,0,0]=3 13 B7R0.1 NCCCCCCBr D83295 [1,0,0,0,0,0|2,0,0]=3 14 B7R0.1 NCCCCCCS F31196 [1,0,0,0,0,0|1,1,0]=3 15 B7R0.1 NCCCNCCS W12623 [1,0,0,0,0,0|2,1,0]=4 16 B7R0.1 NCCCOCCO W11222 [1,0,0,0,0,0|2,0,1]=4 17 B9R0.2 C#CCCCCCC(=O)O AT11953 [0,1,0,0,0,0|0,0,2]=3 18 B9R0.2 C=CCCCCCC(=O)O I11997 [0,1,0,0,0,0|0,0,2]=3 19 B9R0.2 C=CCOCCCC(=O)O W18610 [0,1,0,0,0,0|1,0,2]=4 20 B9R0.2 CCCCCCCC(=O)[O-] F12023 [0,1,0,0,0,0|0,0,0]=1 21 B9R0.2 CCC\C=C/CCC(=O)O E70288 [0,1,0,0,0,0|0,0,2]=3 22 B9R0.2 COCCOCCC(=O)O C70448 [0,1,0,0,0,0|2,0,0]=3 23 B9R0.2 O=C(O)CNCCCCO 72467 [0,1,0,0,0,0|2,0,0]=3 24 B9R0.5 CCCCC[C@H](O)CCO A10789 [0,1,0,0,0,0|0,0,2]=3 25 B9R0.5 CCOC(=O)CCCC=O N10598 [0,1,0,0,0,0|1,0,1]=3 26 B9R0.45 CCCCOCCCCO S11917 [0,1,0,0,0,0|0,0,2]=3 27 B9R0.45 CCCOCCOCCO D97202 [0,1,0,0,0,0|1,0,2]=4 28 B9R0.45 [N-]=[N+]=NCCCCCCN 52800 [0,1,0,0,0,0|3,0,0]=4 29 B9R0.46 CCCCCC[C@H](O)CBr D93070 [0,1,0,0,0,0|1,0,1]=3 30 B9R1.5 CC1CCCNCC1C 73165 [0,0,0,1,0,0|2,0,1]=4 31 B9R1.5 CN1CCCNCC1=O 37932 [0,0,0,1,0,0|2,0,0]=3 32 B9R1.5 CN1CCCNCC1=O Y10016 [0,0,0,1,0,0|2,0,0]=3 33 B9R1.5 CN1CCNCCC1=O Y10618 [0,0,0,1,0,0|2,0,0]=3 34 B9R1.5 C[C@@H]1NCCCNC1=O F50270 [0,0,0,1,0,0|2,0,0]=3 35 B9R1.5 C[C@@H]1NCCCNC1=O F50344 [0,0,0,1,0,0|2,0,0]=3 36 B9R1.5 C[C@H]1CCNCCC1=O 73013 [0,0,0,1,0,0|1,0,0]=2 37 B9R1.5 N[C@H]1CCCCNC1=O A56020 [0,0,0,1,0,0|2,0,0]=3 38 B9R1.5 O=C1CCNCC[C@@H]1Br 98344 [0,0,0,1,0,0|2,0,0]=3 39 B9R1.5 O=C1CNCCC[C@@H]1F 72994 [0,0,0,1,0,0|2,0,0]=3 40 B9R1.8 BrCCC1CCNCC1 AC8208 [0,0,0,1,0,0|2,0,1]=4 41 B9R1.8 BrCCC1CCOCC1 56518 [0,0,0,1,0,0|2,0,1]=4 42 B9R1.8 BrCCN1CCCCC1 O10261 [0,0,0,1,0,0|2,0,1]=4 43 B9R1.8 CNCC1CCCCC1 F20557 [0,0,0,1,0,0|2,0,0]=3 44 B9R1.8 CNCC1CCNCC1 28113 [0,0,0,1,0,0|3,0,0]=4 45 B9R1.8 CNC[C@H]1CCCOC1 P11000 [0,0,0,1,0,0|3,0,0]=4 46 B9R1.8 CNC[C@H]1CCCOC1 P16260 [0,0,0,1,0,0|3,0,0]=4 47 B9R1.8 COC[C@H]1CCCCN1 39467 [0,0,0,1,0,0|2,0,1]=4 48 B9R1.8 COC[C@H]1CCCCN1 71896 [0,0,0,1,0,0|2,0,1]=4 49 B9R1.8 COC[C@H]1CCCNC1 F11112 [0,0,0,1,0,0|3,0,0]=4 50 B9R1.8 ClCCC1CCNCC1 AC3007 [0,0,0,1,0,0|2,0,1]=4 51 B9R1.8 N#CCC1CCOCC1 H10074 [0,0,0,1,0,0|2,0,1]=4 52 B9R1.8 NCCC1CCCCC1 24486 [0,0,0,1,0,0|1,0,1]=3 53 B9R1.8 NCCC1CCCCC1 55664 [0,0,0,1,0,0|1,0,1]=3 54 B9R1.8 NCCC1CCOCC1 71435 [0,0,0,1,0,0|2,0,1]=4 55 B9R1.8 NCCC1CCSCC1 AC3550 [0,0,0,1,0,0|2,0,1]=4 56 B9R1.8 NNCC1CCOCC1 P12620 [0,0,0,1,0,0|3,0,0]=4 57 B9R1.8 O=CCC1CCCCC1 11388 [0,0,0,1,0,0|0,0,0]=1 58 B9R1.8 OCCC1CCOCC1 62381 [0,0,0,1,0,0|1,0,2]=4 59 B9R1.8 OCC[C@H]1CCCCN1 62347 [0,0,0,1,0,0|1,0,2]=4 60 B9R1.8 OCC[C@H]1CCCCN1 88407 [0,0,0,1,0,0|1,0,2]=4 61 B9R1.8 OCC[C@H]1CCCCN1 F30243 [0,0,0,1,0,0|1,0,2]=4 62 B9R1.8 OCC[C@H]1CCCNC1 W17542 [0,0,0,1,0,0|1,0,2]=4 63 B9R1.12 BrCCCN1CCCC1 C76980 [0,0,0,1,0,0|2,0,1]=4 64 B9R1.12 OCCOC1CCCC1 31903 [0,0,0,1,0,0|1,0,2]=4 65 B9R1.15 CC1CCCCC1CN 72191 [0,0,0,1,0,0|1,0,1]=3 66 B9R1.15 CC1CCCNC1CO 72650 [0,0,0,1,0,0|1,0,2]=4 67 B9R1.15 CCN1CCNCC1=O W18927 [0,0,0,1,0,0|2,0,0]=3 68 B9R1.15 CC[C@@H]1NCCCC1=O 63470 [0,0,0,1,0,0|1,0,0]=2 69 B9R1.15 CC[C@H]1CNCCN1C D83449 [0,0,0,1,0,0|3,0,0]=4 70 B9R1.15 CC[C@H]1CNCCN1C D83450 [0,0,0,1,0,0|3,0,0]=4 71 B9R1.15 CN1CCCC[C@@H]1CBr Y13498 [0,0,0,1,0,0|2,0,1]=4 72 B9R1.15 CN1CCCC[C@@H]1CCl F11618 [0,0,0,1,0,0|2,0,1]=4 73 B9R1.15 CN1CCCC[C@@H]1CN C72724 [0,0,0,1,0,0|2,0,1]=4 74 B9R1.15 CN1CCCC[C@@H]1CO O10154 [0,0,0,1,0,0|1,0,2]=4 75 B9R1.15 CN1CCCC[C@@H]1CO O10190 [0,0,0,1,0,0|1,0,2]=4 76 B9R1.15 CN[C@H]1CCCC[C@@H]1O D94629 [0,0,0,1,0,0|1,0,2]=4 77 B9R1.15 COC1CCCCC1N O10822 [0,0,0,1,0,0|2,0,1]=4 78 B9R1.15 CO[C@H]1CCCC[C@@H]1N 89667 [0,0,0,1,0,0|2,0,1]=4 79 B9R1.15 CO[C@H]1CCCC[C@@H]1N P19687 [0,0,0,1,0,0|2,0,1]=4 80 B9R1.15 CO[C@H]1CCCC[C@H]1N D96624 [0,0,0,1,0,0|2,0,1]=4 81 B9R1.15 CO[C@H]1CCCC[C@H]1N P20243 [0,0,0,1,0,0|2,0,1]=4 82 B9R1.15 CO[C@H]1CCCNC1=O O11031 [0,0,0,1,0,0|2,0,0]=3 83 B9R1.15 CO[C@H]1COCCC1=O 37648 [0,0,0,1,0,0|2,0,0]=3 84 B9R1.15 N#C[C@H]1CCNCC1=O 58518 [0,0,0,1,0,0|2,0,1]=4 85 B9R1.15 N[C@H]1CCCC[C@H]1CO P19621 [0,0,0,1,0,0|1,0,2]=4 86 B9R1.15 O=CC1=C(Br)CCCC1 AC9040 [0,0,0,1,0,0|1,0,2]=4 87 B9R1.15 O=CC1=C(Cl)CCCC1 31222 [0,0,0,1,0,0|1,0,2]=4 88 B9R1.15 OCC1=C(Br)CCCC1 AC8357 [0,0,0,1,0,0|2,0,1]=4 89 B9R1.33 CN1CCC[C@@H]1CCN P10542 [0,0,0,1,0,0|2,0,1]=4 90 B9R1.33 CN1CCC[C@@H]1CCO 27869 [0,0,0,1,0,0|1,0,2]=4 91 B9R1.33 CN1CCC[C@@H]1CCO 27876 [0,0,0,1,0,0|1,0,2]=4 92 B9R1.33 CNC[C@H]1CCCN1C D82894 [0,0,0,1,0,0|3,0,0]=4 93 B9R1.33 CNC[C@H]1CCCN1C P16259 [0,0,0,1,0,0|3,0,0]=4 94 B9R1.33 COC[C@H]1CCCN1N 70039 [0,0,0,1,0,0|3,0,0]=4 95 B9R1.33 COC[C@H]1CCCN1N 70044 [0,0,0,1,0,0|3,0,0]=4 96 B9R1.33 NCCN1CCOC1=O C13660 [0,0,0,1,0,0|3,0,0]=4 97 B9R1.33 O=C1CCCN1CCBr C77640 [0,0,0,1,0,0|2,0,0]=3 98 B9R1.33 O=C1NCCN1CCCl 57428 [0,0,0,1,0,0|3,0,0]=4 99 B9R1.50 O=C1CNCCCNC1 77720 [0,0,0,1,0,0|2,0,0]=3 100 B9R1.50 O=C1NCCCCCN1 W17640 [0,0,0,1,0,0|2,0,0]=3 101 B9R1.50 O[C@@H]1C=CCCCCC1 AT23384 [0,0,0,1,0,0|2,0,0]=3 102 B9R1.89 CCN1CCCCCC1 A11156 [0,0,0,1,0,0|2,0,1]=4 103 B9R1.89 CN[C@H]1CCCCNC1 M59314 [0,0,0,1,0,0|3,0,0]=4 104 B9R1.89 CO[C@H]1CCCNCC1 37044 [0,0,0,1,0,0|3,0,0]=4 105 B9R1.89 CO[C@H]1CCCNCC1 37045 [0,0,0,1,0,0|3,0,0]=4 106 B9R1.89 N#CC1CCCCCC1 F53544 [0,0,0,1,0,0|1,0,1]=3 107 B9R1.89 N#C[C@H]1CCCNCC1 P13588 [0,0,0,1,0,0|2,0,1]=4 108 B9R1.89 NNC1CCCCCC1 AB1363 [0,0,0,1,0,0|2,0,0]=3 109 B9R1.89 OC[C@H]1CCCCCN1 C12372 [0,0,0,1,0,0|1,0,2]=4 110 B9R1.89 OC[C@H]1CCCCNC1 P12855 [0,0,0,1,0,0|1,0,2]=4 111 B9R1.103 C1CCCCNCCC1 T72630 [0,0,0,1,0,0|1,0,1]=3 112 B6R0.6 CCOCCCBr A11082 [2,0,0,0,0,0|2,0,0]=4 113 B6R0.6 CNCCCCBr C74879 [2,0,0,0,0,0|2,0,0]=4 114 B6R0.6 CNCCCCN D80538 [2,0,0,0,0,0|2,0,0]=4 115 B6R0.6 NCCCCCBr 97997 [2,0,0,0,0,0|2,0,0]=4 116 B6R0.6 OCCCCCO D77911 [2,0,0,0,0,0|1,0,1]=4 117 B8R0.1 CCCC[C@H](C)CCO D93301 [1,1,0,0,0,0|0,0,1]=3 118 B8R0.1 CCC[C@H](C)CCCO A12859 [1,1,0,0,0,0|0,0,1]=3 119 B8R0.1 CCOC(=O)CCC=O AB9300 [1,1,0,0,0,0|1,0,1]=4 120 B8R0.6 CCCCCC(=O)CBr C73149 [1,1,0,0,0,0|1,0,1]=4 121 B8R0.7 CN(C)CCCCCN AC2504 [1,1,0,0,0,0|2,0,0]=4 122 B8R0.7 COCCNCC(=O)O W16095 [1,1,0,0,0,0|2,0,0]=4 123 B8R0.7 NCCCCCC(=O)O P19609 [1,1,0,0,0,0|1,0,0]=3 124 B8R0.7 NCCCCCC(N)=O AC6029 [1,1,0,0,0,0|1,0,0]=3 125 B8R0.7 O=C([O-])CCCCCO Y14708 [1,1,0,0,0,0|1,0,0]=3 126 B10R0.3 CC(C)CCC[C@H](C)CC=O AB7058 [0,2,0,0,0,0|0,0,0]=2 127 B10R0.4 C=CCCCCCC[C@H](C)O W11241 [0,2,0,0,0,0|1,0,0]=3 128 B10R0.4 CC(=O)NCCCCCCN D93510 [0,2,0,0,0,0|1,0,0]=3 129 B10R0.4 O=C(O)CCCCCCCO S10749 [0,2,0,0,0,0|0,0,0]=2 130 B10R0.6 NCCCC[C@H](N)CC(=O)O FD10061 [0,2,0,0,0,0|1,0,0]=3 131 B10R0.22 NCCCCCCS(=O)(=O)O S11941 [0,2,0,0,0,0|2,0,0]=4 132 B10R0.55 COC(=O)CCCCC(C)=O F16317 [0,2,0,0,0,0|1,0,1]=4 133 B10R0.74 NCC(=O)NCCCCCBr D84097 [0,2,0,0,0,0|2,0,0]=4 134 B10R0.75 CCCCCC[C@H](C)C(=O)Cl 13028 [0,2,0,0,0,0|0,0,0]=2 135 B10R0.78 CCCCC(=O)NCC(=O)O 81427 [0,2,0,0,0,0|1,0,1]=4 136 B10R0.78 CCCNC(=O)CCC(=O)O W18569 [0,2,0,0,0,0|1,0,1]=4 137 B10R0.24 CCCCC[C@@H](CO)CCC 77487 [0,2,0,0,0,0|1,0,1]=4 138 B10R0.71 NCCCCNCCCCN A11493 [0,2,0,0,0,0|1,0,1]=4 139 B8R1.2 BrCC1=CCCCC1 37274 [1,0,0,1,0,0|1,0,1]=4 140 B8R1.2 BrC[C@H]1CCCNC1 AC3913 [1,0,0,1,0,0|2,0,0]=4 141 B8R1.2 BrC[C@H]1CCCOC1 38662 [1,0,0,1,0,0|2,0,0]=4 142 B8R1.2 CCC1CCNCC1 W10090 [1,0,0,1,0,0|1,0,1]=4 143 B8R1.2 CC[C@H]1CCCCN1 Y10457 [1,0,0,1,0,0|1,0,0]=3 144 B8R1.2 CC[C@H]1CNCCN1 28366 [1,0,0,1,0,0|2,0,0]=4 145 B8R1.2 CC[C@H]1CNCCN1 I11833 [1,0,0,1,0,0|2,0,0]=4 146 B8R1.2 CC[C@H]1COCCN1 F17630 [1,0,0,1,0,0|2,0,0]=4 147 B8R1.2 CC[C@H]1COCCN1 FD6008 [1,0,0,1,0,0|2,0,0]=4 148 B8R1.2 ClCC1CCNCC1 P17439 [1,0,0,1,0,0|2,0,0]=4 149 B8R1.2 ClCC1CCOCC1 C77585 [1,0,0,1,0,0|2,0,0]=4 150 B8R1.2 ClC[C@H]1CCCCN1 87776 [1,0,0,1,0,0|2,0,0]=4 151 B8R1.2 FCC1CCNCC1 F10330 [1,0,0,1,0,0|2,0,0]=4 152 B8R1.2 FC[C@H]1CCCNC1 24250 [1,0,0,1,0,0|2,0,0]=4 153 B8R1.2 ICC1CCCCC1 AC1131 [1,0,0,1,0,0|1,0,0]=3 154 B8R1.2 IC[C@H]1CCCCO1 P19885 [1,0,0,1,0,0|1,0,1]=4 155 B8R1.2 IC[C@H]1CCCOC1 P20725 [1,0,0,1,0,0|2,0,0]=4 156 B8R1.2 NCC1CCSCC1 P11855 [1,0,0,1,0,0|2,0,0]=4 157 B8R1.2 NCC1CCSCC1 P17457 [1,0,0,1,0,0|2,0,0]=4 158 B8R1.2 NC[C@H]1CCCOC1 SC1491 [1,0,0,1,0,0|2,0,0]=4 159 B8R1.2 O=CN1CCCCC1 D77795 [1,0,0,1,0,0|1,0,0]=3 160 B8R1.2 O=C[C@@H]1CCCCN1 62054 [1,0,0,1,0,0|1,0,0]=3 161 B8R1.2 O=C[C@@H]1CCCCO1 79885 [1,0,0,1,0,0|1,0,0]=3 162 B8R1.2 O=C[C@@H]1COCCO1 D78647 [1,0,0,1,0,0|2,0,0]=4 163 B8R1.2 O=C[C@H]1CCCOC1 79874 [1,0,0,1,0,0|1,0,0]=3 164 B8R1.2 OC[C@H]1CCCNC1 36372 [1,0,0,1,0,0|1,0,1]=4 165 B8R1.2 OC[C@H]1CCCNC1 F14592 [1,0,0,1,0,0|1,0,1]=4 166 B8R1.2 OC[C@H]1CCCNC1 H10949 [1,0,0,1,0,0|1,0,1]=4 167 B8R1.2 OC[C@H]1CCCOC1 38674 [1,0,0,1,0,0|1,0,1]=4 168 B8R1.5 C=C1CCCC[C@@H]1O D94315 [1,0,0,1,0,0|1,0,1]=4 169 B8R1.5 CC1CCNCC1O 38882 [1,0,0,1,0,0|1,0,1]=4 170 B8R1.5 CC1CNCCC1O 20765 [1,0,0,1,0,0|1,0,1]=4 171 B8R1.5 CC1CNCCC1O 33365 [1,0,0,1,0,0|1,0,1]=4 172 B8R1.5 CC1COCCC1N 33469 [1,0,0,1,0,0|2,0,0]=4 173 B8R1.5 C[C@@H]1CCCC[C@@H]1N Y10408 [1,0,0,1,0,0|1,0,0]=3 174 B8R1.5 C[C@@H]1CCCC[C@@H]1N Y10409 [1,0,0,1,0,0|1,0,0]=3 175 B8R1.5 C[C@@H]1COCC[C@@H]1N P14106 [1,0,0,1,0,0|2,0,0]=4 176 B8R1.5 C[C@@H]1OCCNC1=O AC4099 [1,0,0,1,0,0|2,0,0]=4 177 B8R1.5 C[C@H]1CCCCC1=O D77719 [1,0,0,1,0,0|0,0,0]=2 178 B8R1.5 C[C@H]1CCCN[C@H]1C P18680 [1,0,0,1,0,0|1,0,1]=4 179 B8R1.5 C[C@H]1CCCOC1=O AB4082 [1,0,0,1,0,0|1,0,0]=3 180 B8R1.5 C[C@H]1CCNC[C@@H]1O 38883 [1,0,0,1,0,0|1,0,1]=4 181 B8R1.5 C[C@H]1CNCC[C@@H]1O P15603 [1,0,0,1,0,0|1,0,1]=4 182 B8R1.5 C[C@H]1COCCC1=O 27832 [1,0,0,1,0,0|1,0,0]=3 183 B8R1.5 C[C@H]1COCC[C@@H]1N P15602 [1,0,0,1,0,0|2,0,0]=4 184 B8R1.5 C[C@H]1CSCCC1=O 70869 [1,0,0,1,0,0|1,0,0]=3 185 B8R1.5 NN1CCCCC1=O C74639 [1,0,0,1,0,0|2,0,0]=4 186 B8R1.5 N[C@H]1CCCCC1=O C16242 [1,0,0,1,0,0|1,0,0]=3 187 B8R1.5 N[C@H]1CCCC[C@@H]1F 72976 [1,0,0,1,0,0|2,0,0]=4 188 B8R1.5 N[C@H]1CCCC[C@@H]1F D79011 [1,0,0,1,0,0|2,0,0]=4 189 B8R1.5 N[C@H]1CCCC[C@@H]1F P18297 [1,0,0,1,0,0|2,0,0]=4 190 B8R1.5 N[C@H]1CCCC[C@@H]1N 47900 [1,0,0,1,0,0|2,0,0]=4 191 B8R1.5 N[C@H]1CCCC[C@H]1N A11421 [1,0,0,1,0,0|2,0,0]=4 192 B8R1.5 N[C@H]1CCCNC1=O 11355 [1,0,0,1,0,0|2,0,0]=4 193 B8R1.5 N[C@H]1CCCNC1=O 51546 [1,0,0,1,0,0|2,0,0]=4 194 B8R1.5 O=C1CCOC[C@@H]1Br RB3241 [1,0,0,1,0,0|2,0,0]=4 195 B8R1.5 O=C1NCCC[C@@H]1Br F30215 [1,0,0,1,0,0|2,0,0]=4 196 B8R1.5 O=C1NCCC[C@@H]1O 27231 [1,0,0,1,0,0|2,0,0]=4 197 B8R1.5 O=C1OCCC[C@@H]1O 27422 [1,0,0,1,0,0|2,0,0]=4 198 B8R1.5 O[C@H]1CCCC[C@@H]1O C14127 [1,0,0,1,0,0|1,0,1]=4 199 B8R1.8 BrCCC1CCCC1 C78009 [1,0,0,1,0,0|1,0,0]=3 200 B8R1.8 C=CC[C@H]1CCCN1 N16954 [1,0,0,1,0,0|1,0,1]=4 201 B8R1.8 CNC[C@H]1CCCN1 P18036 [1,0,0,1,0,0|2,0,0]=4 202 B8R1.8 COC[C@H]1CCCN1 11152 [1,0,0,1,0,0|2,0,0]=4 203 B8R1.8 COC[C@H]1CCCN1 11153 [1,0,0,1,0,0|2,0,0]=4 204 B8R1.8 COC[C@H]1CCCN1 71289 [1,0,0,1,0,0|2,0,0]=4 205 B8R1.8 ClCCC1CCCC1 AC1057 [1,0,0,1,0,0|1,0,0]=3 206 B8R1.8 NNCC1CCCC1 P11240 [1,0,0,1,0,0|2,0,0]=4 207 B8R1.8 O=CCC1CCCC1 F11683 [1,0,0,1,0,0|0,0,0]=2 208 B8R1.8 OCC[C@H]1CCCN1 50275 [1,0,0,1,0,0|1,0,1]=4 209 B8R1.8 OCC[C@H]1CCCN1 62964 [1,0,0,1,0,0|1,0,1]=4 210 B8R1.10 OCCCC1COC1 89590 [1,0,0,1,0,0|1,0,1]=4 211 B8R1.10 OCCCN1CCC1 70850 [1,0,0,1,0,0|1,0,1]=4 212 B8R1.11 CN1CCC[C@@H]1CBr N13118 [1,0,0,1,0,0|2,0,0]=4 213 B8R1.11 CN1CCC[C@@H]1CCl D83790 [1,0,0,1,0,0|2,0,0]=4 214 B8R1.11 CN1CCC[C@@H]1CN 39178 [1,0,0,1,0,0|2,0,0]=4 215 B8R1.11 CN[C@@H]1CCC[C@@H]1O D96687 [1,0,0,1,0,0|1,0,1]=4 216 B8R1.11 CN[C@@H]1CCC[C@@H]1O D97032 [1,0,0,1,0,0|1,0,1]=4 217 B8R1.11 CN[C@H]1CCC[C@@H]1O D97028 [1,0,0,1,0,0|1,0,1]=4 218 B8R1.11 C[C@H]1CNC[C@@H]1CO C77269 [1,0,0,1,0,0|1,0,1]=4 219 B8R1.11 NCC1CCCC1N F20645 [1,0,0,1,0,0|2,0,0]=4 220 B8R1.11 NC[C@H]1CCCC1=O 33703 [1,0,0,1,0,0|1,0,0]=3 221 B8R1.11 O=C1CCC[C@@H]1CO C73905 [1,0,0,1,0,0|1,0,0]=3 222 B8R1.11 O=C1NCC[C@@H]1CO P12214 [1,0,0,1,0,0|2,0,0]=4 223 B8R1.12 OC[C@H]1CC[C@H]1CO W19717 [1,0,0,1,0,0|1,0,1]=4 224 B8R1.22 BrC1CCCCCC1 F53566 [1,0,0,1,0,0|1,0,0]=3 225 B8R1.22 C[C@H]1CCCCCN1 D79537 [1,0,0,1,0,0|1,0,0]=3 226 B8R1.22 C[C@H]1CCCCCN1 D79538 [1,0,0,1,0,0|1,0,0]=3 227 B8R1.22 C[C@H]1CCCCCN1 W10101 [1,0,0,1,0,0|1,0,0]=3 228 B8R1.22 C[C@H]1CCCCNC1 72971 [1,0,0,1,0,0|1,0,1]=4 229 B8R1.22 C[C@H]1CCNCCN1 70847 [1,0,0,1,0,0|2,0,0]=4 230 B8R1.22 C[C@H]1CNCCCO1 72856 [1,0,0,1,0,0|1,0,1]=4 231 B8R1.22 NC1=NCCCCC1 D85903 [1,0,0,1,0,0|2,0,0]=4 232 B8R1.22 N[C@H]1CCCNCC1 36658 [1,0,0,1,0,0|2,0,0]=4 233 B8R1.22 O=C1CCCCCN1 D94502 [1,0,0,1,0,0|1,0,0]=3 234 B8R1.22 O=C1CCCCNC1 50109 [1,0,0,1,0,0|1,0,0]=3 235 B8R1.22 O=C1CCCOCC1 P12770 [1,0,0,1,0,0|1,0,0]=3 236 B8R1.22 O=C1CCNCCN1 58405 [1,0,0,1,0,0|2,0,0]=4 237 B8R1.22 O=C1CNCCNC1 77718 [1,0,0,1,0,0|2,0,0]=4 238 B8R1.22 O=C1CNCCOC1 P20266 [1,0,0,1,0,0|2,0,0]=4 239 B8R1.22 O=C1COCCCN1 71169 [1,0,0,1,0,0|2,0,0]=4 240 B8R1.22 O=C1OCCCCO1 D93115 [1,0,0,1,0,0|2,0,0]=4 241 B8R1.36 NCCNCC1CC1 P18278 [1,0,0,1,0,0|2,0,0]=4 242 B8R1.36 OCCCC[C@H]1CO1 F52608 [1,0,0,1,0,0|1,0,1]=4 243 B8R1.36 OCCNCC1CC1 AC1354 [1,0,0,1,0,0|1,0,1]=4 244 B10R1.16 CCCC[C@H]1CCC(=O)O1 AC2057 [0,1,0,1,0,0|0,0,0]=2 245 B10R1.18 CC(=O)C=C1CCCCC1 W15953 [0,1,0,1,0,0|0,0,2]=4 246 B10R1.18 CC(=O)CC1CCCCC1 D84585 [0,1,0,1,0,0|0,0,0]=2 247 B10R1.18 CC(=O)NC1CCCCC1 A11899 [0,1,0,1,0,0|1,0,0]=3 248 B10R1.18 CC(=O)N[C@H]1CCCNC1 C77680 [0,1,0,1,0,0|2,0,0]=4 249 B10R1.18 CN(C)CC1CCCCC1 78298 [0,1,0,1,0,0|2,0,0]=4 250 B10R1.18 NC(=S)NC1CCCCC1 T70976 [0,1,0,1,0,0|1,1,0]=4 251 B10R1.18 O=C(Cl)CC1CCOCC1 78876 [0,1,0,1,0,0|1,0,0]=3 252 B10R1.18 O=C(O)CC1CCNCC1 20237 [0,1,0,1,0,0|1,0,0]=3 253 B10R1.18 O=C(O)C[C@H]1CCCCN1 AC1464 [0,1,0,1,0,0|1,0,0]=3 254 B10R1.18 O=C(O)C[C@H]1CCCNC1 56293 [0,1,0,1,0,0|1,0,0]=3 255 B10R1.18 O=C(O)C[C@H]1CCCNC1 56295 [0,1,0,1,0,0|1,0,0]=3 256 B10R1.18 O=C(O)C[C@H]1CNCCO1 77652 [0,1,0,1,0,0|2,0,0]=4 257 B10R1.18 O=C(O)C[C@H]1CNCCO1 A50778 [0,1,0,1,0,0|2,0,0]=4 258 B10R1.18 O=C(O)C[C@H]1COCCN1 26941 [0,1,0,1,0,0|2,0,0]=4 259 B10R1.18 OB(O)CC1CCCCC1 W17229 [0,1,0,1,0,0|1,0,1]=4 260 B10R1.61 CC(=O)N1CCCCC1=O 50302 [0,1,0,1,0,0|1,0,1]=4 261 B10R1.61 CC(C)C1CCCCC1O C77548 [0,1,0,1,0,0|0,0,2]=4 262 B10R1.61 CC(C)N1CCNCC1=O 29960 [0,1,0,1,0,0|2,0,0]=4 263 B10R1.61 CC(C)[C@@H]1CNCCC1=O 20254 [0,1,0,1,0,0|1,0,0]=3 264 B10R1.61 CC1CCNCC1C(=O)O 85195 [0,1,0,1,0,0|1,0,0]=3 265 B10R1.61 CC1CNCCC1C(=O)O P12933 [0,1,0,1,0,0|1,0,0]=3 266 B10R1.61 CN1CCCC[C@H]1C(=O)O F14430 [0,1,0,1,0,0|1,0,0]=3 267 B10R1.61 CN1CCCC[C@H]1C(=O)O Y13554 [0,1,0,1,0,0|1,0,0]=3 268 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O 20637 [0,1,0,1,0,0|1,0,0]=3 269 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O 20800 [0,1,0,1,0,0|1,0,0]=3 270 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O F12968 [0,1,0,1,0,0|1,0,0]=3 271 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O F53490 [0,1,0,1,0,0|1,0,0]=3 272 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O F12964 [0,1,0,1,0,0|1,0,0]=3 273 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O F18377 [0,1,0,1,0,0|1,0,0]=3 274 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O P20265 [0,1,0,1,0,0|1,0,0]=3 275 B10R1.61 N[C@H]1COCC[C@H]1C(=O)O 51259 [0,1,0,1,0,0|2,0,0]=4 276 B10R1.61 O=C([O-])[C@@H]1CCCCC1=O F11699 [0,1,0,1,0,0|1,0,1]=4 277 B10R1.66 O=C(O)CC[C@H]1CCOC1 72506 [0,1,0,1,0,0|1,0,0]=3 278 B10R1.66 O=C(O)CNC1CCCC1 AB6936 [0,1,0,1,0,0|1,0,0]=3 279 B10R1.66 O=C(O)CNC1CCCC1 W15241 [0,1,0,1,0,0|1,0,0]=3 280 B10R1.78 O=C1CCCCCCCC1 AC8766 [0,1,0,1,0,0|0,0,0]=2 281 B10R1.78 O=C1CCCCCCCN1 D74918 [0,1,0,1,0,0|0,0,0]=2 282 B10R1.86 O=C(O)[C@@H]1CCN1CCF P18441 [0,1,0,1,0,0|2,0,0]=4 283 B10R1.300 CC1(C)NCCCNC1=O D79437 [0,1,0,1,0,0|2,0,0]=4 284 B10R1.300 O=C1NCCCCC1(Br)Br 77966 [0,1,0,1,0,0|2,0,0]=4 285 B10R1.300 O=C1NCCCCC1(Cl)Cl W15271 [0,1,0,1,0,0|2,0,0]=4 286 B10R1.348 CC(=O)N1CCCNCC1 W19159 [0,1,0,1,0,0|2,0,0]=4 287 B10R1.348 N=C(N)C1CCCCCC1 A11705 [0,1,0,1,0,0|1,0,0]=3 288 B10R1.348 NC(=O)C1CCCCCC1 C72770 [0,1,0,1,0,0|0,0,0]=2 289 B10R1.348 O=C(Cl)C1CCCCCC1 D96414 [0,1,0,1,0,0|0,0,0]=2 290 B10R1.348 O=C(O)C1CCC=CCC1 C73071 [0,1,0,1,0,0|0,0,2]=4 291 B10R1.348 O=C(O)[C@@H]1CCCCCN1 I10217 [0,1,0,1,0,0|1,0,0]=3 292 B10R1.348 O=C(O)[C@H]1CCCCNC1 81143 [0,1,0,1,0,0|1,0,0]=3 293 B10R1.25 CC[C@H]1CNC(=O)CC1=O 27452 [0,1,0,1,0,0|1,0,1]=4 294 B10R1.85 NCCN1CCCCCC1 52073 [0,1,0,1,0,0|1,0,1]=4 295 B10R1.245 CC1CCCC(C)C1CO P18073 [0,1,0,1,0,0|0,0,2]=4 296 B10R1.377 N#CCC1(N)CCCCC1 F31398 [0,1,0,1,0,0|1,0,1]=4 297 B10R1.377 NCCC1(O)CCCCC1 D96646 [0,1,0,1,0,0|1,0,1]=4 298 B10R1.4 N#CC[C@H]1CCCCC1=O W15284 [0,1,0,1,0,0|0,0,1]=3 299 B10R1.4 O=C1CNCCN1CCO F50422 [0,1,0,1,0,0|2,0,0]=4 300 B10R1.17 BrCCOC1CCCCC1 C77571 [0,1,0,1,0,0|1,0,1]=4 301 B10R1.17 C#CCCN1CCCCC1 AT23226 [0,1,0,1,0,0|1,0,1]=4 302 B10R1.17 CCCCC1CCNCC1 25962 [0,1,0,1,0,0|1,0,1]=4 303 B10R1.17 COCCC1CCNCC1 38531 [0,1,0,1,0,0|2,0,0]=4 304 B10R1.17 COCC[C@H]1CCCCN1 C71587 [0,1,0,1,0,0|1,0,1]=4 305 B10R1.17 OCCC[C@H]1CCCCN1 59724 [0,1,0,1,0,0|0,0,2]=4 306 B10R1.17 OCCC[C@H]1CCCNC1 AC1697 [0,1,0,1,0,0|0,0,2]=4 307 B10R1.30 CCN1C[C@H](C)NCC1=O W17551 [0,1,0,1,0,0|2,0,0]=4 308 B10R1.30 CCN1C[C@H](C)NCC1=O W17552 [0,1,0,1,0,0|2,0,0]=4 309 B10R1.161 O=CC1CCCCCCC1 59424 [0,1,0,1,0,0|0,0,0]=2 310 B10R1.1 C=CCN1CCC(O)CC1 F16782 [0,1,0,1,0,0|2,0,0]=4 311 B10R1.1 CN1CCC(CC=O)CC1 Y10060 [0,1,0,1,0,0|1,0,0]=3 312 B10R1.1 CN1CCN(CC=O)CC1 P10531 [0,1,0,1,0,0|2,0,0]=4 313 B10R1.1 N#CC[C@H]1CC[C@H](N)CC1 P15963 [0,1,0,1,0,0|1,0,1]=4 314 B10R1.1 NC1CCC(CCO)CC1 S10769 [0,1,0,1,0,0|0,0,2]=4 315 B10R1.1 NCCC1CCC(O)CC1 T70309 [0,1,0,1,0,0|1,0,1]=4 316 B10R1.1 OCCC1CCC(O)CC1 F17096 [0,1,0,1,0,0|0,0,2]=4 317 B10R1.2 CN1CCC[C@H](CN)C1=O 85553 [0,1,0,1,0,0|2,0,0]=4 318 B10R1.15 C#C[C@@H](O)C1CCCCC1 79797 [0,1,0,1,0,0|1,0,1]=4 319 B10R1.15 CC[C@H](N)C1CCCCC1 N10674 [0,1,0,1,0,0|1,0,1]=4 320 B10R1.15 CC[C@H](N)C1CCCCC1 O10192 [0,1,0,1,0,0|1,0,1]=4 321 B10R1.15 CN[C@@H](C)C1CCCCC1 78566 [0,1,0,1,0,0|2,0,0]=4 322 B10R1.232 NCC1(O)CCCCCC1 C78231 [0,1,0,1,0,0|1,0,1]=4 323 B10R1.275 CN1CCCC[C@H](N)C1=O 66077 [0,1,0,1,0,0|1,0,0]=3 324 B10R2.178 O=C1NCC2CCC1N2 P17879 [0,0,0,2,0,0|2,0,0]=4 325 B10R2.7 C1CCC2COCC2C1 D93889 [0,0,0,2,0,0|0,0,2]=4 326 B10R2.7 C1CCN2CCC[C@H]2C1 64826 [0,0,0,2,0,0|1,0,1]=4 327 B10R2.7 C1CC[C@@H]2CNC[C@H]2C1 W10889 [0,0,0,2,0,0|1,0,1]=4 328 B10R2.62 O=C1CC2CCC1CC2 91055 [0,0,0,2,0,0|0,0,0]=2 329 B10R2.62 O=C1CC2CCC1CN2 P14923 [0,0,0,2,0,0|1,0,0]=3 330 B10R2.62 O=C1NC2CCC1CC2 38593 [0,0,0,2,0,0|1,0,0]=3 331 B10R2.62 O[C@H]1CC2CCC1CC2 C73587 [0,0,0,2,0,0|0,0,2]=4 332 B10R2.408 C1CC2CCCC(C1)N2 38672 [0,0,0,2,0,0|1,0,1]=4 333 B10R2.409 C1CC2CCC1CNC2 P17930 [0,0,0,2,0,0|2,0,0]=4 334 B10R2.484 C1CCC2(CC1)CNC2 33402 [0,0,0,2,0,0|2,0,0]=4 335 B10R2.484 C1CNCC2(C1)CCC2 39202 [0,0,0,2,0,0|2,0,0]=4 336 B10R2.3 O=C1CC[C@@]12CCOC2 84551 [0,0,0,2,0,0|1,0,0]=3 337 B10R2.32 O=C1CCC2CNCC12 P10378 [0,0,0,2,0,0|1,0,0]=3 338 B10R2.32 O=C1CO[C@@H]2OCC[C@H]12 C91362 [0,0,0,2,0,0|2,0,0]=4 339 B10R2.99 O=CC1CC2CCC1C2 23269 [0,0,0,2,0,0|0,0,0]=2 340 B10R2.99 OCC1CC2C=CC1C2 F16263 [0,0,0,2,0,0|2,0,0]=4 341 B10R2.483 C1CCC2(C1)CCNC2 39198 [0,0,0,2,0,0|2,0,0]=4 342 B10R2.483 C1CCC2(C1)CCNC2 P10425 [0,0,0,2,0,0|2,0,0]=4 343 B10R2.15 O=C1NCCNC12CC2 F53392 [0,0,0,2,0,0|2,0,0]=4 344 B10R2.41 O=C1C2CCC1CNC2 P13354 [0,0,0,2,0,0|1,0,0]=3 345 B10R2.190 O=C1NCCC12CCC2 33677 [0,0,0,2,0,0|1,0,0]=3 346 B10R2.2 O=C1CC2CSCC2C1 38018 [0,0,0,2,0,0|1,0,0]=3 347 B10R2.2 O=C1C[C@H]2CSC[C@@H]2C1 AT14674 [0,0,0,2,0,0|1,0,0]=3 348 B10R2.2 O=C1NC2CCCC2O1 N10687 [0,0,0,2,0,0|2,0,0]=4