0 B8R0.4 C=CCCCCCC=O N11873 [0,0,0,0,0,0|0,0,4]=4 1 B8R0.4 C=CCCCCCCI W11175 [0,0,0,0,0,0|1,0,2]=3 2 B8R0.4 COCCCCCCBr S10679 [0,0,0,0,0,0|2,0,0]=2 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|3,0,0]=3 5 B8R0.4 NCCCOCCCO D84663 [0,0,0,0,0,0|2,0,0]=2 6 B8R0.4 OCCCOCCCO AT19326 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.1 C=CCCCCNC R10008 [1,0,0,0,0,0|1,0,2]=4 8 B7R0.1 CCCNCCCO AB4057 [1,0,0,0,0,0|1,0,0]=2 9 B7R0.1 CNCCOCCO C70229 [1,0,0,0,0,0|2,0,0]=3 10 B7R0.1 COCCOCCI AT13077 [1,0,0,0,0,0|3,0,0]=4 11 B7R0.1 FCCCCCCBr A50948 [1,0,0,0,0,0|2,0,0]=3 12 B7R0.1 N#CCCNCCO D94844 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.1 N#CCCOCCO Y11313 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.1 NCCCCCCBr D83295 [1,0,0,0,0,0|2,0,0]=3 15 B7R0.1 NCCCCCCS F31196 [1,0,0,0,0,0|1,1,0]=3 16 B7R0.1 NCCCNCCS W12623 [1,0,0,0,0,0|2,1,0]=4 17 B7R0.1 NCCCOCCO W11222 [1,0,0,0,0,0|2,0,0]=3 18 B9R0.2 C#CCCCCCC(=O)O AT11953 [0,1,0,0,0,0|0,0,3]=4 19 B9R0.2 C=CCCCCCC(=O)O I11997 [0,1,0,0,0,0|0,0,3]=4 20 B9R0.2 CCCCCCCC(=O)[O-] F12023 [0,1,0,0,0,0|0,0,2]=3 21 B9R0.2 CCC\C=C/CCC(=O)O E70288 [0,1,0,0,0,0|0,0,3]=4 22 B9R0.2 COCCOCCC(=O)O C70448 [0,1,0,0,0,0|2,0,1]=4 23 B9R0.2 O=C(O)CNCCCCO 72467 [0,1,0,0,0,0|2,0,1]=4 24 B9R0.5 CCCCC[C@H](O)CCO A10789 [0,1,0,0,0,0|0,0,0]=1 25 B9R0.5 CCOC(=O)CCCCN 23836 [0,1,0,0,0,0|2,0,1]=4 26 B9R0.18 CCCOC(C)OCCC D93053 [0,1,0,0,0,0|3,0,0]=4 27 B9R0.45 BrCCOCCOCCBr S10638 [0,1,0,0,0,0|3,0,0]=4 28 B9R0.45 CCCCOCCCCO S11917 [0,1,0,0,0,0|0,0,0]=1 29 B9R0.45 CCCOCCOCCO D97202 [0,1,0,0,0,0|1,0,0]=2 30 B9R0.45 OCCOCCOCCBr S10706 [0,1,0,0,0,0|2,0,0]=3 31 B9R0.45 [N-]=[N+]=NCCCCCCN 52800 [0,1,0,0,0,0|3,0,0]=4 32 B9R0.46 CCCCCC[C@H](O)CBr D93070 [0,1,0,0,0,0|1,0,0]=2 33 B9R1.5 CC1CCCNCC1C 73165 [0,0,0,1,0,0|2,0,0]=3 34 B9R1.5 C[C@H]1CCNCCC1=O 73013 [0,0,0,1,0,0|1,0,2]=4 35 B9R1.5 OC1CCNCCC1F 73002 [0,0,0,1,0,0|2,0,0]=3 36 B9R1.8 BrCCC1CCNCC1 AC8208 [0,0,0,1,0,0|2,0,0]=3 37 B9R1.8 BrCCC1CCOCC1 56518 [0,0,0,1,0,0|2,0,0]=3 38 B9R1.8 BrCCN1CCCCC1 O10261 [0,0,0,1,0,0|2,0,0]=3 39 B9R1.8 BrCCN1CCCCO1 72888 [0,0,0,1,0,0|2,0,0]=3 40 B9R1.8 CCCN1CCOCC1 A12323 [0,0,0,1,0,0|3,0,0]=4 41 B9R1.8 CCO[C@@H]1CNCCO1 Y10945 [0,0,0,1,0,0|2,0,0]=3 42 B9R1.8 CNCC1CCCCC1 F20557 [0,0,0,1,0,0|2,0,0]=3 43 B9R1.8 CNCC1CCNCC1 28113 [0,0,0,1,0,0|3,0,0]=4 44 B9R1.8 CNC[C@H]1CCCOC1 P11000 [0,0,0,1,0,0|3,0,0]=4 45 B9R1.8 CNC[C@H]1CCCOC1 P16260 [0,0,0,1,0,0|3,0,0]=4 46 B9R1.8 CNC[C@H]1CNCCO1 AB1528 [0,0,0,1,0,0|2,0,0]=3 47 B9R1.8 CNC[C@H]1COCCO1 AC1133 [0,0,0,1,0,0|2,0,0]=3 48 B9R1.8 CNC[C@H]1COCCO1 F31295 [0,0,0,1,0,0|2,0,0]=3 49 B9R1.8 CNC[C@H]1COCCO1 F51993 [0,0,0,1,0,0|2,0,0]=3 50 B9R1.8 CNC[C@H]1COCCO1 F51998 [0,0,0,1,0,0|2,0,0]=3 51 B9R1.8 COC[C@H]1CCCCN1 39467 [0,0,0,1,0,0|2,0,0]=3 52 B9R1.8 COC[C@H]1CCCCN1 71896 [0,0,0,1,0,0|2,0,0]=3 53 B9R1.8 COC[C@H]1CCCNC1 F11112 [0,0,0,1,0,0|3,0,0]=4 54 B9R1.8 COC[C@H]1CNCCO1 77670 [0,0,0,1,0,0|2,0,0]=3 55 B9R1.8 COC[C@H]1CNCCO1 77672 [0,0,0,1,0,0|2,0,0]=3 56 B9R1.8 COC[C@H]1COCCN1 77667 [0,0,0,1,0,0|3,0,0]=4 57 B9R1.8 COC[C@H]1COCCN1 77668 [0,0,0,1,0,0|3,0,0]=4 58 B9R1.8 COC[C@H]1COCCN1 77669 [0,0,0,1,0,0|3,0,0]=4 59 B9R1.8 ClCCC1CCNCC1 AC3007 [0,0,0,1,0,0|2,0,0]=3 60 B9R1.8 FCCN1CCNCC1 27667 [0,0,0,1,0,0|3,0,0]=4 61 B9R1.8 N#CCC1CCOCC1 H10074 [0,0,0,1,0,0|2,0,1]=4 62 B9R1.8 NCCC1CCCCC1 24486 [0,0,0,1,0,0|1,0,0]=2 63 B9R1.8 NCCC1CCCCC1 55664 [0,0,0,1,0,0|1,0,0]=2 64 B9R1.8 NCCC1CCOCC1 71435 [0,0,0,1,0,0|2,0,0]=3 65 B9R1.8 NCCC1CCSCC1 AC3550 [0,0,0,1,0,0|2,0,0]=3 66 B9R1.8 NCCN1CCCCO1 72735 [0,0,0,1,0,0|2,0,0]=3 67 B9R1.8 NNCC1CCOCC1 P12620 [0,0,0,1,0,0|3,0,0]=4 68 B9R1.8 O=CCC1CCCCC1 11388 [0,0,0,1,0,0|0,0,2]=3 69 B9R1.8 OCCC1CCOCC1 62381 [0,0,0,1,0,0|1,0,0]=2 70 B9R1.8 OCCN1CCSCC1 O10852 [0,0,0,1,0,0|2,0,0]=3 71 B9R1.8 OCC[C@H]1CCCCN1 62347 [0,0,0,1,0,0|1,0,0]=2 72 B9R1.8 OCC[C@H]1CCCCN1 88407 [0,0,0,1,0,0|1,0,0]=2 73 B9R1.8 OCC[C@H]1CCCCN1 F30243 [0,0,0,1,0,0|1,0,0]=2 74 B9R1.8 OCC[C@H]1CCCNC1 W17542 [0,0,0,1,0,0|1,0,0]=2 75 B9R1.8 OCC[C@H]1CNCCN1 27755 [0,0,0,1,0,0|2,0,0]=3 76 B9R1.8 OCC[C@H]1CNCCO1 F13466 [0,0,0,1,0,0|2,0,0]=3 77 B9R1.12 BrCCCN1CCCC1 C76980 [0,0,0,1,0,0|2,0,0]=3 78 B9R1.12 OCCOC1CCCC1 31903 [0,0,0,1,0,0|1,0,0]=2 79 B9R1.15 CC1CCCCC1CN 72191 [0,0,0,1,0,0|1,0,0]=2 80 B9R1.15 CC1CCCNC1CO 72650 [0,0,0,1,0,0|1,0,0]=2 81 B9R1.15 CCN1CCNC[C@@H]1C Y13519 [0,0,0,1,0,0|3,0,0]=4 82 B9R1.15 CC[C@@H]1NCCCC1=O 63470 [0,0,0,1,0,0|1,0,2]=4 83 B9R1.15 CC[C@H]1CNCCN1C D83449 [0,0,0,1,0,0|3,0,0]=4 84 B9R1.15 CC[C@H]1CNCCN1C D83450 [0,0,0,1,0,0|3,0,0]=4 85 B9R1.15 CN1CCCC[C@@H]1CBr Y13498 [0,0,0,1,0,0|2,0,0]=3 86 B9R1.15 CN1CCCC[C@@H]1CCl F11618 [0,0,0,1,0,0|2,0,0]=3 87 B9R1.15 CN1CCCC[C@@H]1CN C72724 [0,0,0,1,0,0|2,0,0]=3 88 B9R1.15 CN1CCCC[C@@H]1CO O10154 [0,0,0,1,0,0|1,0,0]=2 89 B9R1.15 CN1CCCC[C@@H]1CO O10190 [0,0,0,1,0,0|1,0,0]=2 90 B9R1.15 CN1CCNC[C@@H]1CO D85973 [0,0,0,1,0,0|2,0,0]=3 91 B9R1.15 CN1CCOC[C@@H]1CO 77628 [0,0,0,1,0,0|2,0,0]=3 92 B9R1.15 CN1CCOC[C@@H]1CO 77629 [0,0,0,1,0,0|2,0,0]=3 93 B9R1.15 CN1CCOC[C@@H]1CO W17675 [0,0,0,1,0,0|2,0,0]=3 94 B9R1.15 CN[C@H]1CCCC[C@@H]1O D94629 [0,0,0,1,0,0|1,0,0]=2 95 B9R1.15 COC1CCCCC1N O10822 [0,0,0,1,0,0|2,0,0]=3 96 B9R1.15 CO[C@H]1CCCC[C@@H]1N 89667 [0,0,0,1,0,0|2,0,0]=3 97 B9R1.15 CO[C@H]1CCCC[C@@H]1N P19687 [0,0,0,1,0,0|2,0,0]=3 98 B9R1.15 CO[C@H]1CCCC[C@H]1N D96624 [0,0,0,1,0,0|2,0,0]=3 99 B9R1.15 CO[C@H]1CCCC[C@H]1N P20243 [0,0,0,1,0,0|2,0,0]=3 100 B9R1.15 CO[C@H]1CCNC[C@@H]1O P15068 [0,0,0,1,0,0|2,0,0]=3 101 B9R1.15 CO[C@H]1COCC[C@@H]1N 37650 [0,0,0,1,0,0|3,0,0]=4 102 B9R1.15 CO[C@H]1COCC[C@@H]1N 37651 [0,0,0,1,0,0|3,0,0]=4 103 B9R1.15 CO[C@H]1COCC[C@@H]1N 37652 [0,0,0,1,0,0|3,0,0]=4 104 B9R1.15 CO[C@H]1COCC[C@H]1N 37649 [0,0,0,1,0,0|3,0,0]=4 105 B9R1.15 NC[C@@H]1CCNC[C@@H]1O P20455 [0,0,0,1,0,0|2,0,0]=3 106 B9R1.15 NC[C@H]1CCNC[C@@H]1O P16383 [0,0,0,1,0,0|2,0,0]=3 107 B9R1.15 N[C@H]1CCCC[C@H]1CO P19621 [0,0,0,1,0,0|1,0,0]=2 108 B9R1.15 OCC1=C(Br)CCCC1 AC8357 [0,0,0,1,0,0|1,0,2]=4 109 B9R1.15 OCC1CCNCC1O 72831 [0,0,0,1,0,0|2,0,0]=3 110 B9R1.15 OCC1CNCCC1O 73026 [0,0,0,1,0,0|2,0,0]=3 111 B9R1.15 OC[C@@H]1CCNC[C@@H]1F P14143 [0,0,0,1,0,0|2,0,0]=3 112 B9R1.33 CN1CCC[C@@H]1CCN P10542 [0,0,0,1,0,0|2,0,0]=3 113 B9R1.33 CN1CCC[C@@H]1CCO 27869 [0,0,0,1,0,0|1,0,0]=2 114 B9R1.33 CN1CCC[C@@H]1CCO 27876 [0,0,0,1,0,0|1,0,0]=2 115 B9R1.33 CNC[C@H]1CCCN1C D82894 [0,0,0,1,0,0|3,0,0]=4 116 B9R1.33 CNC[C@H]1CCCN1C P16259 [0,0,0,1,0,0|3,0,0]=4 117 B9R1.33 COC[C@H]1CCCN1N 70039 [0,0,0,1,0,0|3,0,0]=4 118 B9R1.33 COC[C@H]1CCCN1N 70044 [0,0,0,1,0,0|3,0,0]=4 119 B9R1.50 OC1CNCCCNC1 77719 [0,0,0,1,0,0|2,0,0]=3 120 B9R1.50 O[C@@H]1C=CCCCCC1 AT23384 [0,0,0,1,0,0|0,0,2]=3 121 B9R1.50 O[C@@H]1CCC=CCCC1 C76726 [0,0,0,1,0,0|0,0,2]=3 122 B9R1.89 CCN1CCCCCC1 A11156 [0,0,0,1,0,0|2,0,0]=3 123 B9R1.89 CCN1CCCNCC1 I11453 [0,0,0,1,0,0|3,0,0]=4 124 B9R1.89 CN[C@H]1CCCCNC1 M59314 [0,0,0,1,0,0|3,0,0]=4 125 B9R1.89 CO[C@H]1CCCNCC1 37044 [0,0,0,1,0,0|3,0,0]=4 126 B9R1.89 CO[C@H]1CCCNCC1 37045 [0,0,0,1,0,0|3,0,0]=4 127 B9R1.89 N#CC1CCCCCC1 F53544 [0,0,0,1,0,0|1,0,1]=3 128 B9R1.89 N#C[C@H]1CCCNCC1 P13588 [0,0,0,1,0,0|2,0,1]=4 129 B9R1.89 NNC1CCCCCC1 AB1363 [0,0,0,1,0,0|2,0,0]=3 130 B9R1.89 OC[C@H]1CCCCCN1 C12372 [0,0,0,1,0,0|1,0,0]=2 131 B9R1.89 OC[C@H]1CCCCNC1 P12855 [0,0,0,1,0,0|1,0,0]=2 132 B9R1.89 OC[C@H]1CNCCCO1 32212 [0,0,0,1,0,0|2,0,0]=3 133 B9R1.89 OC[C@H]1CNCCCO1 53535 [0,0,0,1,0,0|2,0,0]=3 134 B9R1.103 C1CCCCNCCC1 T72630 [0,0,0,1,0,0|1,0,0]=2 135 B9R1.103 C1CNCCNCCN1 H10640 [0,0,0,1,0,0|3,0,0]=4 136 B6R0.6 CC#CCCCO W16152 [2,0,0,0,0,0|0,0,2]=4 137 B6R0.6 CCOCCCBr A11082 [2,0,0,0,0,0|2,0,0]=4 138 B6R0.6 CNCCCCBr C74879 [2,0,0,0,0,0|2,0,0]=4 139 B6R0.6 CNCCCCN D80538 [2,0,0,0,0,0|2,0,0]=4 140 B6R0.6 NCCCCCBr 97997 [2,0,0,0,0,0|2,0,0]=4 141 B6R0.6 OCCCCCO D77911 [2,0,0,0,0,0|1,0,0]=3 142 B6R0.6 OCCOCCF AT25497 [2,0,0,0,0,0|2,0,0]=4 143 B8R0.1 CCCC(=O)OCCO D81566 [1,1,0,0,0,0|1,0,1]=4 144 B8R0.1 CCCC[C@H](C)CCO D93301 [1,1,0,0,0,0|0,0,0]=2 145 B8R0.1 CCC[C@H](C)CCCO A12859 [1,1,0,0,0,0|0,0,0]=2 146 B8R0.1 CCOC(=O)CCCO C91677 [1,1,0,0,0,0|1,0,1]=4 147 B8R0.1 COCCN(C)CCO F18234 [1,1,0,0,0,0|2,0,0]=4 148 B8R0.6 CCCCCC(=O)CBr C73149 [1,1,0,0,0,0|1,0,1]=4 149 B8R0.7 CN(C)CCCCCN AC2504 [1,1,0,0,0,0|2,0,0]=4 150 B8R0.7 CN(C)CCOCCO D77714 [1,1,0,0,0,0|2,0,0]=4 151 B8R0.7 NCCCCCC(=O)O P19609 [1,1,0,0,0,0|1,0,1]=4 152 B8R0.7 O=C([O-])CCCCCO Y14708 [1,1,0,0,0,0|1,0,1]=4 153 B10R0.3 CC(C)CCC[C@H](C)CC=O AB7058 [0,2,0,0,0,0|0,0,2]=4 154 B10R0.4 C=CCCCCCC[C@H](C)O W11241 [0,2,0,0,0,0|0,0,1]=3 155 B10R0.4 CC(=O)NCCCCCCN D93510 [0,2,0,0,0,0|1,0,1]=4 156 B10R0.4 O=C(O)CCCCCCCO S10749 [0,2,0,0,0,0|0,0,1]=3 157 B10R0.6 NCCCC[C@H](N)CC(=O)O FD10061 [0,2,0,0,0,0|1,0,1]=4 158 B10R0.22 CCCCCCOC(C)(C)C D93010 [0,2,0,0,0,0|2,0,0]=4 159 B10R0.22 NCCCCCCS(=O)(=O)O S11941 [0,2,0,0,0,0|2,0,0]=4 160 B10R0.75 CCCCCC[C@H](C)C(=O)Cl 13028 [0,2,0,0,0,0|0,0,2]=4 161 B10R0.24 CCCCC[C@@H](CO)CCC 77487 [0,2,0,0,0,0|1,0,0]=3 162 B10R0.83 CCCCCC(=O)[C@@H](C)CC D84197 [0,2,0,0,0,0|1,0,1]=4 163 B10R0.91 CCCCNC(=O)OCCO D93331 [0,2,0,0,0,0|1,0,1]=4 164 B10R0.108 CCCC(=O)OC[C@@H](O)CO A10828 [0,2,0,0,0,0|1,0,1]=4 165 B10R0.16 CCCCN(C#N)CCCC A12243 [0,2,0,0,0,0|2,0,0]=4 166 B10R0.71 N#CCCOCCOCCO D86324 [0,2,0,0,0,0|1,0,1]=4 167 B10R0.71 NCCCCNCCCCN A11493 [0,2,0,0,0,0|1,0,0]=3 168 B10R0.71 OCCOCCCOCCO D84669 [0,2,0,0,0,0|1,0,0]=3 169 B8R1.2 BrC[C@H]1CCCNC1 AC3913 [1,0,0,1,0,0|2,0,0]=4 170 B8R1.2 BrC[C@H]1CCCOC1 38662 [1,0,0,1,0,0|2,0,0]=4 171 B8R1.2 CCC1CCNCC1 W10090 [1,0,0,1,0,0|1,0,0]=3 172 B8R1.2 CC[C@H]1CCCCN1 Y10457 [1,0,0,1,0,0|1,0,0]=3 173 B8R1.2 CC[C@H]1CNCCN1 28366 [1,0,0,1,0,0|2,0,0]=4 174 B8R1.2 CC[C@H]1CNCCN1 I11833 [1,0,0,1,0,0|2,0,0]=4 175 B8R1.2 CC[C@H]1COCCN1 F17630 [1,0,0,1,0,0|2,0,0]=4 176 B8R1.2 CC[C@H]1COCCN1 FD6008 [1,0,0,1,0,0|2,0,0]=4 177 B8R1.2 CNC1CCNCC1 Y10435 [1,0,0,1,0,0|2,0,0]=4 178 B8R1.2 CNC1CCSCC1 D93432 [1,0,0,1,0,0|2,0,0]=4 179 B8R1.2 ClCC1CCNCC1 P17439 [1,0,0,1,0,0|2,0,0]=4 180 B8R1.2 ClCC1CCOCC1 C77585 [1,0,0,1,0,0|2,0,0]=4 181 B8R1.2 ClC[C@H]1CCCCN1 87776 [1,0,0,1,0,0|2,0,0]=4 182 B8R1.2 FCC1CCNCC1 F10330 [1,0,0,1,0,0|2,0,0]=4 183 B8R1.2 FC[C@H]1CCCNC1 24250 [1,0,0,1,0,0|2,0,0]=4 184 B8R1.2 ICC1CCCCC1 AC1131 [1,0,0,1,0,0|1,0,0]=3 185 B8R1.2 IC[C@H]1CCCCO1 P19885 [1,0,0,1,0,0|1,0,0]=3 186 B8R1.2 IC[C@H]1CCCOC1 P20725 [1,0,0,1,0,0|2,0,0]=4 187 B8R1.2 N#C[C@@H]1CCCCO1 W16123 [1,0,0,1,0,0|1,0,1]=4 188 B8R1.2 NCC1CCSCC1 P11855 [1,0,0,1,0,0|2,0,0]=4 189 B8R1.2 NCC1CCSCC1 P17457 [1,0,0,1,0,0|2,0,0]=4 190 B8R1.2 NC[C@H]1CCCOC1 SC1491 [1,0,0,1,0,0|2,0,0]=4 191 B8R1.2 NC[C@H]1COCCO1 39092 [1,0,0,1,0,0|2,0,0]=4 192 B8R1.2 NC[C@H]1COCCO1 39093 [1,0,0,1,0,0|2,0,0]=4 193 B8R1.2 O=C[C@@H]1CCCCO1 79885 [1,0,0,1,0,0|1,0,1]=4 194 B8R1.2 OC[C@H]1CCCNC1 36372 [1,0,0,1,0,0|1,0,0]=3 195 B8R1.2 OC[C@H]1CCCNC1 F14592 [1,0,0,1,0,0|1,0,0]=3 196 B8R1.2 OC[C@H]1CCCNC1 H10949 [1,0,0,1,0,0|1,0,0]=3 197 B8R1.2 OC[C@H]1CCCOC1 38674 [1,0,0,1,0,0|1,0,0]=3 198 B8R1.2 OC[C@H]1CNCCN1 C14871 [1,0,0,1,0,0|2,0,0]=4 199 B8R1.2 OC[C@H]1CNCCN1 I11571 [1,0,0,1,0,0|2,0,0]=4 200 B8R1.2 OC[C@H]1CNCCO1 25692 [1,0,0,1,0,0|2,0,0]=4 201 B8R1.2 OC[C@H]1CNCCO1 SC3851 [1,0,0,1,0,0|2,0,0]=4 202 B8R1.2 OC[C@H]1COCCN1 25689 [1,0,0,1,0,0|2,0,0]=4 203 B8R1.2 OC[C@H]1COCCN1 26203 [1,0,0,1,0,0|2,0,0]=4 204 B8R1.2 OC[C@H]1COCCN1 P15853 [1,0,0,1,0,0|2,0,0]=4 205 B8R1.2 OC[C@H]1COCCO1 Y10090 [1,0,0,1,0,0|2,0,0]=4 206 B8R1.2 OC[C@H]1COCCO1 Y10091 [1,0,0,1,0,0|2,0,0]=4 207 B8R1.5 C=C1CCCC[C@@H]1O D94315 [1,0,0,1,0,0|0,0,2]=4 208 B8R1.5 CC1CCNCC1O 38882 [1,0,0,1,0,0|1,0,0]=3 209 B8R1.5 CC1CNCCC1O 20765 [1,0,0,1,0,0|1,0,0]=3 210 B8R1.5 CC1CNCCC1O 33365 [1,0,0,1,0,0|1,0,0]=3 211 B8R1.5 CC1COCCC1N 33469 [1,0,0,1,0,0|2,0,0]=4 212 B8R1.5 CC1NCCOC1C F12405 [1,0,0,1,0,0|2,0,0]=4 213 B8R1.5 C[C@@H]1CCCC[C@@H]1N Y10408 [1,0,0,1,0,0|1,0,0]=3 214 B8R1.5 C[C@@H]1CCCC[C@@H]1N Y10409 [1,0,0,1,0,0|1,0,0]=3 215 B8R1.5 C[C@@H]1COCC[C@@H]1N P14106 [1,0,0,1,0,0|2,0,0]=4 216 B8R1.5 C[C@H]1CCCCC1=O D77719 [1,0,0,1,0,0|0,0,2]=4 217 B8R1.5 C[C@H]1CCCN[C@H]1C P18680 [1,0,0,1,0,0|1,0,0]=3 218 B8R1.5 C[C@H]1CCNC[C@@H]1O 38883 [1,0,0,1,0,0|1,0,0]=3 219 B8R1.5 C[C@H]1CNCCN1C 37822 [1,0,0,1,0,0|2,0,0]=4 220 B8R1.5 C[C@H]1CNCCN1C P11245 [1,0,0,1,0,0|2,0,0]=4 221 B8R1.5 C[C@H]1CNCCN1C Y10614 [1,0,0,1,0,0|2,0,0]=4 222 B8R1.5 C[C@H]1CNCC[C@@H]1O P15603 [1,0,0,1,0,0|1,0,0]=3 223 B8R1.5 C[C@H]1COCC[C@@H]1N P15602 [1,0,0,1,0,0|2,0,0]=4 224 B8R1.5 NC1CCOCC1O P16839 [1,0,0,1,0,0|2,0,0]=4 225 B8R1.5 N[C@@H]1CCOC[C@@H]1O P14531 [1,0,0,1,0,0|2,0,0]=4 226 B8R1.5 N[C@@H]1CCOC[C@@H]1O P19745 [1,0,0,1,0,0|2,0,0]=4 227 B8R1.5 N[C@@H]1COCC[C@@H]1O P16186 [1,0,0,1,0,0|2,0,0]=4 228 B8R1.5 N[C@H]1CCCC[C@@H]1F 72976 [1,0,0,1,0,0|2,0,0]=4 229 B8R1.5 N[C@H]1CCCC[C@@H]1F D79011 [1,0,0,1,0,0|2,0,0]=4 230 B8R1.5 N[C@H]1CCCC[C@@H]1F P18297 [1,0,0,1,0,0|2,0,0]=4 231 B8R1.5 N[C@H]1CCCC[C@@H]1N 47900 [1,0,0,1,0,0|2,0,0]=4 232 B8R1.5 N[C@H]1CCCC[C@H]1N A11421 [1,0,0,1,0,0|2,0,0]=4 233 B8R1.5 N[C@H]1CCOC[C@@H]1O 38664 [1,0,0,1,0,0|2,0,0]=4 234 B8R1.5 N[C@H]1CCOC[C@@H]1O 39432 [1,0,0,1,0,0|2,0,0]=4 235 B8R1.5 N[C@H]1CCOC[C@@H]1O 39433 [1,0,0,1,0,0|2,0,0]=4 236 B8R1.5 N[C@H]1COCC[C@@H]1O P14664 [1,0,0,1,0,0|2,0,0]=4 237 B8R1.5 OC1CCOCC1F P14713 [1,0,0,1,0,0|2,0,0]=4 238 B8R1.5 O[C@@H]1CCNC[C@@H]1F 37699 [1,0,0,1,0,0|2,0,0]=4 239 B8R1.5 O[C@@H]1CCNC[C@@H]1F 39257 [1,0,0,1,0,0|2,0,0]=4 240 B8R1.5 O[C@@H]1CCNC[C@@H]1F P15698 [1,0,0,1,0,0|2,0,0]=4 241 B8R1.5 O[C@H]1CCCC[C@@H]1O C14127 [1,0,0,1,0,0|1,0,0]=3 242 B8R1.5 O[C@H]1CCNC[C@@H]1F 37698 [1,0,0,1,0,0|2,0,0]=4 243 B8R1.5 O[C@H]1CCNC[C@@H]1F P13776 [1,0,0,1,0,0|2,0,0]=4 244 B8R1.5 O[C@H]1CCNC[C@@H]1O P10847 [1,0,0,1,0,0|2,0,0]=4 245 B8R1.5 O[C@H]1CCNC[C@@H]1O P17759 [1,0,0,1,0,0|2,0,0]=4 246 B8R1.5 O[C@H]1CNCC[C@@H]1F P14517 [1,0,0,1,0,0|2,0,0]=4 247 B8R1.5 O[C@H]1CNCC[C@H]1O P15637 [1,0,0,1,0,0|2,0,0]=4 248 B8R1.8 BrCCC1CCCC1 C78009 [1,0,0,1,0,0|1,0,0]=3 249 B8R1.8 CCN[C@H]1CCNC1 T72394 [1,0,0,1,0,0|2,0,0]=4 250 B8R1.8 CCN[C@H]1CCOC1 F14260 [1,0,0,1,0,0|2,0,0]=4 251 B8R1.8 CCO[C@H]1CCNC1 P10149 [1,0,0,1,0,0|2,0,0]=4 252 B8R1.8 CNC[C@H]1CCCN1 P18036 [1,0,0,1,0,0|2,0,0]=4 253 B8R1.8 COC[C@H]1CCCN1 11152 [1,0,0,1,0,0|2,0,0]=4 254 B8R1.8 COC[C@H]1CCCN1 11153 [1,0,0,1,0,0|2,0,0]=4 255 B8R1.8 COC[C@H]1CCCN1 71289 [1,0,0,1,0,0|2,0,0]=4 256 B8R1.8 COC[C@H]1CCNC1 72010 [1,0,0,1,0,0|2,0,0]=4 257 B8R1.8 COC[C@H]1CCNC1 P10622 [1,0,0,1,0,0|2,0,0]=4 258 B8R1.8 COC[C@H]1CCNC1 P12588 [1,0,0,1,0,0|2,0,0]=4 259 B8R1.8 COC[C@H]1CCNC1 P15249 [1,0,0,1,0,0|2,0,0]=4 260 B8R1.8 COC[C@H]1CCNC1 P15255 [1,0,0,1,0,0|2,0,0]=4 261 B8R1.8 ClCCC1CCCC1 AC1057 [1,0,0,1,0,0|1,0,0]=3 262 B8R1.8 NCCC1OCCO1 T71082 [1,0,0,1,0,0|2,0,0]=4 263 B8R1.8 NNCC1CCCC1 P11240 [1,0,0,1,0,0|2,0,0]=4 264 B8R1.8 O=CCC1CCCC1 F11683 [1,0,0,1,0,0|0,0,2]=4 265 B8R1.8 OCCC1OCCO1 W16263 [1,0,0,1,0,0|2,0,0]=4 266 B8R1.8 OCC[C@H]1CCCN1 50275 [1,0,0,1,0,0|1,0,0]=3 267 B8R1.8 OCC[C@H]1CCCN1 62964 [1,0,0,1,0,0|1,0,0]=3 268 B8R1.10 CCOCC1CNC1 D84845 [1,0,0,1,0,0|2,0,0]=4 269 B8R1.10 OCCCC1COC1 89590 [1,0,0,1,0,0|1,0,0]=3 270 B8R1.10 OCCCN1CCC1 70850 [1,0,0,1,0,0|1,0,0]=3 271 B8R1.11 C#CC1CCCC1O 30575 [1,0,0,1,0,0|0,0,2]=4 272 B8R1.11 CN1CCC[C@@H]1CBr N13118 [1,0,0,1,0,0|2,0,0]=4 273 B8R1.11 CN1CCC[C@@H]1CCl D83790 [1,0,0,1,0,0|2,0,0]=4 274 B8R1.11 CN1CCC[C@@H]1CN 39178 [1,0,0,1,0,0|2,0,0]=4 275 B8R1.11 CN[C@@H]1CCC[C@@H]1O D96687 [1,0,0,1,0,0|1,0,0]=3 276 B8R1.11 CN[C@@H]1CCC[C@@H]1O D97032 [1,0,0,1,0,0|1,0,0]=3 277 B8R1.11 CN[C@H]1CCC[C@@H]1O D97028 [1,0,0,1,0,0|1,0,0]=3 278 B8R1.11 CO[C@H]1CNC[C@@H]1O 38826 [1,0,0,1,0,0|2,0,0]=4 279 B8R1.11 CO[C@H]1CNC[C@@H]1O P14110 [1,0,0,1,0,0|2,0,0]=4 280 B8R1.11 CO[C@H]1CNC[C@H]1O P17936 [1,0,0,1,0,0|2,0,0]=4 281 B8R1.11 C[C@H]1CNC[C@@H]1CO C77269 [1,0,0,1,0,0|1,0,0]=3 282 B8R1.11 NCC1CCCC1N F20645 [1,0,0,1,0,0|2,0,0]=4 283 B8R1.11 NC[C@@H]1COC[C@@H]1O P14613 [1,0,0,1,0,0|2,0,0]=4 284 B8R1.11 NC[C@H]1COC[C@@H]1O P14625 [1,0,0,1,0,0|2,0,0]=4 285 B8R1.11 O=C1CCC[C@@H]1CO C73905 [1,0,0,1,0,0|1,0,1]=4 286 B8R1.11 OCC1CNCC1O 73097 [1,0,0,1,0,0|2,0,0]=4 287 B8R1.12 OC[C@H]1CC[C@H]1CO W19717 [1,0,0,1,0,0|1,0,0]=3 288 B8R1.22 BrC1CCCCCC1 F53566 [1,0,0,1,0,0|1,0,0]=3 289 B8R1.22 CC1CNCCNC1 70848 [1,0,0,1,0,0|2,0,0]=4 290 B8R1.22 C[C@H]1CCCCCN1 D79537 [1,0,0,1,0,0|1,0,0]=3 291 B8R1.22 C[C@H]1CCCCCN1 D79538 [1,0,0,1,0,0|1,0,0]=3 292 B8R1.22 C[C@H]1CCCCCN1 W10101 [1,0,0,1,0,0|1,0,0]=3 293 B8R1.22 C[C@H]1CCCCNC1 72971 [1,0,0,1,0,0|1,0,0]=3 294 B8R1.22 C[C@H]1CCNCCN1 70847 [1,0,0,1,0,0|2,0,0]=4 295 B8R1.22 C[C@H]1CNCCCO1 72856 [1,0,0,1,0,0|1,0,0]=3 296 B8R1.22 C[C@H]1CNCCOC1 73160 [1,0,0,1,0,0|2,0,0]=4 297 B8R1.22 N[C@H]1CCCNCC1 36658 [1,0,0,1,0,0|2,0,0]=4 298 B8R1.22 OC1CNCCNC1 77717 [1,0,0,1,0,0|2,0,0]=4 299 B8R1.36 NCCNCC1CC1 P18278 [1,0,0,1,0,0|2,0,0]=4 300 B8R1.36 OCCCC[C@H]1CO1 F52608 [1,0,0,1,0,0|1,0,0]=3 301 B8R1.36 OCCNCC1CC1 AC1354 [1,0,0,1,0,0|1,0,0]=3 302 B10R1.10 CN1CCC[C@H](CCN)C1 P11330 [0,1,0,1,0,0|2,0,0]=4 303 B10R1.10 CN1CCC[C@H](CCO)C1 P11620 [0,1,0,1,0,0|1,0,0]=3 304 B10R1.16 CCCCC1OCC(C)O1 D93006 [0,1,0,1,0,0|1,0,0]=3 305 B10R1.16 CCCC[C@H]1CCC(=O)O1 AC2057 [0,1,0,1,0,0|0,0,1]=3 306 B10R1.18 CC(=O)CC1CCCCC1 D84585 [0,1,0,1,0,0|0,0,2]=4 307 B10R1.18 CC(C)C[C@H]1COCCN1 77681 [0,1,0,1,0,0|2,0,0]=4 308 B10R1.18 CN(C)CC1CCCCC1 78298 [0,1,0,1,0,0|2,0,0]=4 309 B10R1.18 O=C(O)CC1CCNCC1 20237 [0,1,0,1,0,0|1,0,1]=4 310 B10R1.18 O=C(O)C[C@H]1CCCCN1 AC1464 [0,1,0,1,0,0|1,0,1]=4 311 B10R1.18 O=C(O)C[C@H]1CCCNC1 56293 [0,1,0,1,0,0|1,0,1]=4 312 B10R1.18 O=C(O)C[C@H]1CCCNC1 56295 [0,1,0,1,0,0|1,0,1]=4 313 B10R1.18 OB(O)CC1CCCCC1 W17229 [0,1,0,1,0,0|1,0,0]=3 314 B10R1.18 OB(O)CC1CCOCC1 AC8805 [0,1,0,1,0,0|2,0,0]=4 315 B10R1.18 OC(O)CN1CCOCC1 58544 [0,1,0,1,0,0|2,0,0]=4 316 B10R1.18 OC(O)CN1CCOCC1 P10317 [0,1,0,1,0,0|2,0,0]=4 317 B10R1.38 OC[C@H]1CNCCC1(F)F 72784 [0,1,0,1,0,0|2,0,0]=4 318 B10R1.61 CC(C)C1CCCCC1O C77548 [0,1,0,1,0,0|0,0,0]=2 319 B10R1.61 CC1CCNCC1C(=O)O 85195 [0,1,0,1,0,0|1,0,1]=4 320 B10R1.61 CC1CNCCC1C(=O)O P12933 [0,1,0,1,0,0|1,0,1]=4 321 B10R1.61 CN(C)[C@H]1CCCC[C@@H]1N C15575 [0,1,0,1,0,0|2,0,0]=4 322 B10R1.61 CN(C)[C@H]1CCCC[C@@H]1N F16515 [0,1,0,1,0,0|2,0,0]=4 323 B10R1.61 CN1CCCC[C@H]1C(=O)O F14430 [0,1,0,1,0,0|1,0,1]=4 324 B10R1.61 CN1CCCC[C@H]1C(=O)O Y13554 [0,1,0,1,0,0|1,0,1]=4 325 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O 20637 [0,1,0,1,0,0|1,0,1]=4 326 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O 20800 [0,1,0,1,0,0|1,0,1]=4 327 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O F12968 [0,1,0,1,0,0|1,0,1]=4 328 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O F53490 [0,1,0,1,0,0|1,0,1]=4 329 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O F12964 [0,1,0,1,0,0|1,0,1]=4 330 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O F18377 [0,1,0,1,0,0|1,0,1]=4 331 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O P20265 [0,1,0,1,0,0|1,0,1]=4 332 B10R1.66 O=C(O)CC[C@H]1CCOC1 72506 [0,1,0,1,0,0|1,0,1]=4 333 B10R1.66 O=C(O)CNC1CCCC1 AB6936 [0,1,0,1,0,0|1,0,1]=4 334 B10R1.66 O=C(O)CNC1CCCC1 W15241 [0,1,0,1,0,0|1,0,1]=4 335 B10R1.78 O=C1CCCCCCCC1 AC8766 [0,1,0,1,0,0|0,0,1]=3 336 B10R1.78 O=C1CCCCCCCN1 D74918 [0,1,0,1,0,0|0,0,2]=4 337 B10R1.300 C[C@H]1CCNCCC1(F)F 73011 [0,1,0,1,0,0|2,0,0]=4 338 B10R1.348 N=C(N)C1CCCCCC1 A11705 [0,1,0,1,0,0|1,0,1]=4 339 B10R1.348 NC(=O)C1CCCCCC1 C72770 [0,1,0,1,0,0|0,0,2]=4 340 B10R1.348 O=C(Cl)C1CCCCCC1 D96414 [0,1,0,1,0,0|0,0,2]=4 341 B10R1.348 O=C(O)[C@@H]1CCCCCN1 I10217 [0,1,0,1,0,0|1,0,1]=4 342 B10R1.348 O=C(O)[C@H]1CCCCNC1 81143 [0,1,0,1,0,0|1,0,1]=4 343 B10R1.11 C[C@@H](CCN)N1CCCC1 D95061 [0,1,0,1,0,0|2,0,0]=4 344 B10R1.11 C[C@@H](CCO)N1CCCC1 D82172 [0,1,0,1,0,0|1,0,0]=3 345 B10R1.21 COCCO[C@H]1CCNC1 P15248 [0,1,0,1,0,0|2,0,0]=4 346 B10R1.85 NCCN1CCCCCC1 52073 [0,1,0,1,0,0|1,0,0]=3 347 B10R1.135 CCOC(=O)C1CC1CO F13437 [0,1,0,1,0,0|1,0,1]=4 348 B10R1.135 CCOC(=O)[C@H]1C[C@H]1CO F50050 [0,1,0,1,0,0|1,0,1]=4 349 B10R1.245 CC1CCCC(C)C1CO P18073 [0,1,0,1,0,0|0,0,0]=2 350 B10R1.377 N#CCC1(N)CCCCC1 F31398 [0,1,0,1,0,0|1,0,1]=4 351 B10R1.377 NCCC1(O)CCCCC1 D96646 [0,1,0,1,0,0|1,0,0]=3 352 B10R1.4 CCCN1CCNC[C@@H]1C Y13533 [0,1,0,1,0,0|2,0,0]=4 353 B10R1.4 C[C@H]1COCCN1CCN F20104 [0,1,0,1,0,0|2,0,0]=4 354 B10R1.17 BrCCCN1CCCCO1 72825 [0,1,0,1,0,0|1,0,0]=3 355 B10R1.17 BrCCCN1CCOCC1 N10280 [0,1,0,1,0,0|2,0,0]=4 356 B10R1.17 BrCCOC1CCCCC1 C77571 [0,1,0,1,0,0|1,0,0]=3 357 B10R1.17 C#CCCN1CCCCC1 AT23226 [0,1,0,1,0,0|1,0,1]=4 358 B10R1.17 CCCCC1CCNCC1 25962 [0,1,0,1,0,0|1,0,0]=3 359 B10R1.17 CCNC[C@H]1CNCCO1 AB1553 [0,1,0,1,0,0|1,0,0]=3 360 B10R1.17 COCCC1CCNCC1 38531 [0,1,0,1,0,0|1,0,0]=3 361 B10R1.17 COCC[C@H]1CCCCN1 C71587 [0,1,0,1,0,0|1,0,0]=3 362 B10R1.17 N#CCO[C@@H]1CCCCO1 72775 [0,1,0,1,0,0|1,0,1]=4 363 B10R1.17 NCCCN1CCNCC1 C74791 [0,1,0,1,0,0|2,0,0]=4 364 B10R1.17 OCCC[C@H]1CCCCN1 59724 [0,1,0,1,0,0|0,0,0]=2 365 B10R1.17 OCCC[C@H]1CCCNC1 AC1697 [0,1,0,1,0,0|0,0,0]=2 366 B10R1.17 OCCNC1CCOCC1 D97603 [0,1,0,1,0,0|1,0,0]=3 367 B10R1.17 OCCOC1CCNCC1 C77513 [0,1,0,1,0,0|1,0,0]=3 368 B10R1.17 OCCOC1CCOCC1 W16008 [0,1,0,1,0,0|1,0,0]=3 369 B10R1.161 COC1CNCCCNC1 77721 [0,1,0,1,0,0|2,0,0]=4 370 B10R1.161 O=CC1CCCCCCC1 59424 [0,1,0,1,0,0|0,0,1]=3 371 B10R1.1 CCCN1CCC(N)CC1 A51080 [0,1,0,1,0,0|2,0,0]=4 372 B10R1.1 CCOC1CCC(N)CC1 AB9186 [0,1,0,1,0,0|2,0,0]=4 373 B10R1.1 CN1CCC(CCN)CC1 30445 [0,1,0,1,0,0|2,0,0]=4 374 B10R1.1 N#CC[C@H]1CC[C@H](N)CC1 P15963 [0,1,0,1,0,0|1,0,1]=4 375 B10R1.1 NC1CCC(CCO)CC1 S10769 [0,1,0,1,0,0|0,0,0]=2 376 B10R1.1 NC1CCN(CCF)CC1 C71682 [0,1,0,1,0,0|2,0,0]=4 377 B10R1.1 NC1CCN(CCF)CC1 F14436 [0,1,0,1,0,0|2,0,0]=4 378 B10R1.1 NCCC1CCC(O)CC1 T70309 [0,1,0,1,0,0|1,0,0]=3 379 B10R1.1 NCCN1CCC(O)CC1 F14602 [0,1,0,1,0,0|2,0,0]=4 380 B10R1.1 O=C1CCC(CCO)CC1 AB7316 [0,1,0,1,0,0|0,0,1]=3 381 B10R1.1 OCCC1CCC(O)CC1 F17096 [0,1,0,1,0,0|0,0,0]=2 382 B10R1.15 C#C[C@@H](O)C1CCCCC1 79797 [0,1,0,1,0,0|1,0,1]=4 383 B10R1.15 CCC(=O)C1CCCCC1 F53827 [0,1,0,1,0,0|1,0,1]=4 384 B10R1.15 CC[C@H](N)C1CCCCC1 N10674 [0,1,0,1,0,0|1,0,0]=3 385 B10R1.15 CC[C@H](N)C1CCCCC1 O10192 [0,1,0,1,0,0|1,0,0]=3 386 B10R1.15 CN[C@@H](C)C1CCCCC1 78566 [0,1,0,1,0,0|2,0,0]=4 387 B10R1.15 C[C@@H](CO)N1CCNCC1 P11495 [0,1,0,1,0,0|2,0,0]=4 388 B10R1.15 O=C(CO)C1CCCCC1 D93099 [0,1,0,1,0,0|0,0,1]=3 389 B10R1.149 CC(CN)C1CCCN1C P15936 [0,1,0,1,0,0|2,0,0]=4 390 B10R1.172 CCN1CCC[C@H](CO)C1 F52823 [0,1,0,1,0,0|1,0,0]=3 391 B10R1.230 CC1(CO)CNCCC1O 73159 [0,1,0,1,0,0|2,0,0]=4 392 B10R1.232 C[C@]1(CO)CCCNCC1 73021 [0,1,0,1,0,0|1,0,0]=3 393 B10R1.232 NCC1(O)CCCCCC1 C78231 [0,1,0,1,0,0|1,0,0]=3 394 B10R2.160 OCC1C2CNCC1C2 P15876 [0,0,0,2,0,0|1,0,0]=3 395 B10R2.178 OC1CCC2CCC1N2 P16165 [0,0,0,2,0,0|1,0,0]=3 396 B10R2.1 N[C@H]1CC12CCOCC2 AT12432 [0,0,0,2,0,0|2,0,0]=4 397 B10R2.6 C1CC(C2CC2)CCN1 59830 [0,0,0,2,0,0|2,0,0]=4 398 B10R2.6 C1COC[C@@H](C2CC2)N1 33377 [0,0,0,2,0,0|2,0,0]=4 399 B10R2.6 C1COC[C@@H](C2CC2)N1 Y10764 [0,0,0,2,0,0|2,0,0]=4 400 B10R2.6 C1CO[C@H](C2CC2)CN1 F20609 [0,0,0,2,0,0|1,0,0]=3 401 B10R2.7 C1CC2NCCOC2C1 D79202 [0,0,0,2,0,0|1,0,0]=3 402 B10R2.7 C1CCC2COCC2C1 D93889 [0,0,0,2,0,0|0,0,0]=2 403 B10R2.7 C1CCN2CCC[C@H]2C1 64826 [0,0,0,2,0,0|1,0,0]=3 404 B10R2.7 C1CC[C@@H]2CNC[C@H]2C1 W10889 [0,0,0,2,0,0|1,0,0]=3 405 B10R2.7 C1CO[C@@H]2CNC[C@@H]2O1 P15023 [0,0,0,2,0,0|2,0,0]=4 406 B10R2.7 C1C[C@@H]2OCCN[C@@H]2C1 D78871 [0,0,0,2,0,0|1,0,0]=3 407 B10R2.7 C1C[C@@H]2OCCN[C@@H]2C1 D78872 [0,0,0,2,0,0|1,0,0]=3 408 B10R2.7 C1C[C@@H]2OCCN[C@@H]2C1 D79368 [0,0,0,2,0,0|1,0,0]=3 409 B10R2.7 C1C[C@H]2CNCCN2C1 31355 [0,0,0,2,0,0|2,0,0]=4 410 B10R2.7 C1C[C@H]2CNCCN2C1 32747 [0,0,0,2,0,0|2,0,0]=4 411 B10R2.7 C1C[C@H]2CNCCN2C1 64917 [0,0,0,2,0,0|2,0,0]=4 412 B10R2.7 C1C[C@H]2CNCCN2C1 P11199 [0,0,0,2,0,0|2,0,0]=4 413 B10R2.62 N[C@H]1CN2CCC1CC2 70721 [0,0,0,2,0,0|2,0,0]=4 414 B10R2.62 N[C@H]1CN2CCC1CC2 F13073 [0,0,0,2,0,0|2,0,0]=4 415 B10R2.62 N[C@H]1CN2CCC1CC2 F13074 [0,0,0,2,0,0|2,0,0]=4 416 B10R2.62 O=C1CC2CCC1CC2 91055 [0,0,0,2,0,0|0,0,2]=4 417 B10R2.62 OC1CC2CCC1NC2 37779 [0,0,0,2,0,0|1,0,0]=3 418 B10R2.62 O[C@H]1CC2CCC1CC2 C73587 [0,0,0,2,0,0|0,0,0]=2 419 B10R2.408 C1CC2CCCC(C1)N2 38672 [0,0,0,2,0,0|1,0,0]=3 420 B10R2.408 C1CC2COCC(C1)N2 P13391 [0,0,0,2,0,0|2,0,0]=4 421 B10R2.409 C1CC2CCC1CNC2 P17930 [0,0,0,2,0,0|2,0,0]=4 422 B10R2.409 C1CN2CCC(CC2)N1 26408 [0,0,0,2,0,0|2,0,0]=4 423 B10R2.484 C1CC2(C1)CCNCC2 51825 [0,0,0,2,0,0|2,0,0]=4 424 B10R2.484 C1CC2(C1)CNCCN2 64257 [0,0,0,2,0,0|2,0,0]=4 425 B10R2.484 C1CC2(C1)CNCCO2 33374 [0,0,0,2,0,0|1,0,0]=3 426 B10R2.484 C1CC2(C1)COCCN2 W15707 [0,0,0,2,0,0|2,0,0]=4 427 B10R2.484 C1CC2(C1)COCCN2 W15716 [0,0,0,2,0,0|2,0,0]=4 428 B10R2.484 C1CC2(CCN1)CCO2 32873 [0,0,0,2,0,0|1,0,0]=3 429 B10R2.484 C1CC2(CCOCC2)N1 P11714 [0,0,0,2,0,0|2,0,0]=4 430 B10R2.484 C1CCC2(CC1)CNC2 33402 [0,0,0,2,0,0|2,0,0]=4 431 B10R2.484 C1CCC2(CNC2)OC1 32164 [0,0,0,2,0,0|1,0,0]=3 432 B10R2.484 C1CCC2(CNC2)OC1 38559 [0,0,0,2,0,0|1,0,0]=3 433 B10R2.484 C1CNCC2(C1)CCC2 39202 [0,0,0,2,0,0|2,0,0]=4 434 B10R2.484 C1CNCC2(C1)CCO2 38557 [0,0,0,2,0,0|1,0,0]=3 435 B10R2.484 C1COC2(CN1)COC2 20264 [0,0,0,2,0,0|2,0,0]=4 436 B10R2.32 O[C@@H]1CO[C@@H]2OCC[C@H]12 O10090 [0,0,0,2,0,0|2,0,0]=4 437 B10R2.32 O[C@H]1CCN2CCC[C@@H]12 69975 [0,0,0,2,0,0|1,0,0]=3 438 B10R2.32 O[C@H]1CC[C@H]2CNC[C@@H]12 P15472 [0,0,0,2,0,0|1,0,0]=3 439 B10R2.99 CCN1C[C@@H]2C[C@H]1CN2 P14690 [0,0,0,2,0,0|2,0,0]=4 440 B10R2.99 CCN1C[C@@H]2C[C@H]1CN2 P19057 [0,0,0,2,0,0|2,0,0]=4 441 B10R2.99 O=CC1CC2CCC1C2 23269 [0,0,0,2,0,0|0,0,2]=4 442 B10R2.99 OCC1CC2C=CC1C2 F16263 [0,0,0,2,0,0|0,0,2]=4 443 B10R2.99 OC[C@@H]1C[C@H]2CC[C@@H]1O2 D79702 [0,0,0,2,0,0|1,0,0]=3 444 B10R2.99 OC[C@H]1C[C@H]2CC[C@@H]1O2 D79703 [0,0,0,2,0,0|1,0,0]=3 445 B10R2.483 C1CCC2(C1)CCNC2 39198 [0,0,0,2,0,0|2,0,0]=4 446 B10R2.483 C1CCC2(C1)CCNC2 P10425 [0,0,0,2,0,0|2,0,0]=4 447 B10R2.483 C1CN[C@@]2(C1)CCNC2 60660 [0,0,0,2,0,0|2,0,0]=4 448 B10R2.483 C1CN[C@@]2(C1)CCOC2 79607 [0,0,0,2,0,0|2,0,0]=4 449 B10R2.483 C1CO[C@@]2(C1)CCNC2 38566 [0,0,0,2,0,0|1,0,0]=3 450 B10R2.483 C1CO[C@@]2(C1)CCNC2 P15313 [0,0,0,2,0,0|1,0,0]=3 451 B10R2.15 O[C@H]1CNCCC12CC2 53030 [0,0,0,2,0,0|1,0,0]=3 452 B10R2.41 OC1C2CCC1CNC2 38879 [0,0,0,2,0,0|1,0,0]=3 453 B10R2.41 OC1[C@H]2CC[C@@H]1CNC2 P17886 [0,0,0,2,0,0|1,0,0]=3 454 B10R2.41 O[C@@H]1[C@H]2CC[C@@H]1CNC2 P17462 [0,0,0,2,0,0|1,0,0]=3 455 B10R2.120 OCC12CCCNC1C2 D79485 [0,0,0,2,0,0|1,0,0]=3