0 B8R0.6 C#CC(O)CCCCC LQ1462 [0,0,0,0,0,0|0,0,4]=4 1 B8R0.6 C=CC(=O)OCCCC XJ0575 [0,0,0,0,0,0|1,0,0]=1 2 B8R0.6 C=CC(O)CCCCC HL2529 [0,0,0,0,0,0|0,0,2]=2 3 B8R0.6 CCCCCC(=O)CC HL1322 [0,0,0,0,0,0|0,0,2]=2 4 B8R0.6 CCCCCC(=O)OC HL1324 [0,0,0,0,0,0|1,0,1]=2 5 B8R0.6 CCCCCC(O)CC HL0071 [0,0,0,0,0,0|0,0,4]=4 6 B8R0.6 CCCCOC(=O)C=O LQ3022 [0,0,0,0,0,0|2,0,0]=2 7 B8R0.6 CCCCOC(=O)CCl HL0074 [0,0,0,0,0,0|2,0,1]=3 8 B8R0.6 CCCCOC(=O)CO LT4349 [0,0,0,0,0,0|2,0,1]=3 9 B8R0.6 CCC\C=C\C(=O)OC JZ1988 [0,0,0,0,0,0|1,0,3]=4 10 B8R0.6 COC(=O)CCCC=O YH09376 [0,0,0,0,0,0|2,0,2]=4 11 B8R0.6 COC(=O)CCCCCl XJ4043 [0,0,0,0,0,0|2,0,1]=3 12 B8R0.6 COC(=O)CCCCO RT18638 [0,0,0,0,0,0|2,0,1]=3 13 B8R0.6 COC(=O)COCCCl XJ6460 [0,0,0,0,0,0|3,0,1]=4 14 B7R0.1 C#CCCCCCC LQ1243 [1,0,0,0,0,0|0,0,3]=4 15 B7R0.1 C=CCCCCC#N HL2868 [1,0,0,0,0,0|1,0,2]=4 16 B7R0.1 C=CCSSCCC LT3401 [1,0,0,0,0,0|2,0,1]=4 17 B7R0.1 CCCCCCC#N LQ1245 [1,0,0,0,0,0|1,0,2]=4 18 B7R0.1 CCCCCCCC XJ0405 [1,0,0,0,0,0|0,0,3]=4 19 B7R0.1 CCCCCCCCl LQ1244 [1,0,0,0,0,0|1,0,2]=4 20 B7R0.1 CCCCCCCN XJ0408 [1,0,0,0,0,0|1,0,2]=4 21 B7R0.1 CCCCCCCS HL0937 [1,0,0,0,0,0|1,0,2]=4 22 B7R0.1 CCCCCC[Mg]Cl LQ5137 [1,0,0,0,0,0|2,0,1]=4 23 B7R0.1 CCCCCN=C=O JZ2397 [1,0,0,0,0,0|2,0,1]=4 24 B7R0.1 CCCCCNCC JZ5218 [1,0,0,0,0,0|1,0,2]=4 25 B7R0.1 CCCCCON=O LQ0831 [1,0,0,0,0,0|3,0,0]=4 26 B7R0.1 C\C=C\CCCCC XJ0407 [1,0,0,0,0,0|0,0,1]=2 27 B7R0.3 C=CC(=O)OCCO LQ1461 [1,0,0,0,0,0|2,0,0]=3 28 B7R0.3 C=CCNC(=O)C=C YH65767 [1,0,0,0,0,0|1,0,2]=4 29 B7R0.3 CCCCC(=O)CC XJ0362 [1,0,0,0,0,0|0,0,2]=3 30 B7R0.3 CCCCC(=O)NC HL3084 [1,0,0,0,0,0|1,0,1]=3 31 B7R0.3 CCCCC(=O)NN LQ4942 [1,0,0,0,0,0|2,0,0]=3 32 B7R0.3 CCCC\C(N)=N\O YH13028 [1,0,0,0,0,0|3,0,0]=4 33 B7R0.3 CCCOC(=O)CCl HL2914 [1,0,0,0,0,0|2,0,1]=4 34 B7R0.3 CCCOC(=O)CN LQ3564 [1,0,0,0,0,0|2,0,1]=4 35 B7R0.3 CCOCC(=O)OC RT17745 [1,0,0,0,0,0|2,0,1]=4 36 B7R0.3 COC(=O)CCCCl LT5164 [1,0,0,0,0,0|2,0,1]=4 37 B7R0.3 COC(=O)CCCO RT0271 [1,0,0,0,0,0|2,0,1]=4 38 B7R0.3 COC(=O)CCSC LQ3661 [1,0,0,0,0,0|2,0,1]=4 39 B7R0.3 COCCC(=O)OC LQ2522 [1,0,0,0,0,0|2,0,1]=4 40 B7R0.4 CC(=O)SCCCBr RT1374 [1,0,0,0,0,0|2,0,1]=4 41 B7R0.4 CCCCCC(C)C HL0115 [1,0,0,0,0,0|1,0,2]=4 42 B7R0.4 CCCCCC(C)N JZ2985 [1,0,0,0,0,0|1,0,2]=4 43 B7R0.4 CCCCCC(C)N XJ0515 [1,0,0,0,0,0|1,0,2]=4 44 B7R0.4 CCCCCC(N)=O HL0268 [1,0,0,0,0,0|1,0,0]=2 45 B7R0.4 CCCCC[C@H](C)O JZ2825 [1,0,0,0,0,0|0,0,3]=4 46 B7R0.4 CCCCNC(N)=S LQ1811 [1,0,0,0,0,0|2,1,0]=4 47 B7R0.4 CCCCOC(=S)[S-] XJ1408 [1,0,0,0,0,0|2,1,0]=4 48 B7R0.4 CCCCOC(C)=O HL1469 [1,0,0,0,0,0|1,0,1]=3 49 B7R0.4 CCCCOC(N)=O LT4346 [1,0,0,0,0,0|2,0,0]=3 50 B7R0.4 CCCCO[N+](=O)[O-] RT17647 [1,0,0,0,0,0|3,0,0]=4 51 B7R0.4 CCCCSC(C)=O LQ1519 [1,0,0,0,0,0|1,0,1]=3 52 B7R0.4 CCC\C=C\C(=O)O JZ4447 [1,0,0,0,0,0|1,0,2]=4 53 B7R0.4 CCC\C=C\C(C)=O XJ1585 [1,0,0,0,0,0|0,0,3]=4 54 B7R0.4 CNCCCC(=O)O RT0333 [1,0,0,0,0,0|2,0,0]=3 55 B7R0.4 COCCOC(=O)Cl HL0272 [1,0,0,0,0,0|3,0,0]=4 56 B7R0.4 CS(=O)CCCCN RT4961 [1,0,0,0,0,0|2,0,1]=4 57 B7R0.4 C[S@@](=O)CCCCN RT4965 [1,0,0,0,0,0|2,0,1]=4 58 B7R0.4 C\C=C\CCC(=O)[O-] HL0269 [1,0,0,0,0,0|1,0,2]=4 59 B7R0.4 O=C(Cl)CCCCBr HL2752 [1,0,0,0,0,0|2,0,0]=3 60 B7R0.4 O=C(Cl)CCCCCl LT3549 [1,0,0,0,0,0|2,0,0]=3 61 B7R0.4 O=C(Cl)COCCCl RT17538 [1,0,0,0,0,0|3,0,0]=4 62 B7R0.4 O=C(Cl)OCCCCl LT2580 [1,0,0,0,0,0|3,0,0]=4 63 B7R0.4 O=C(O)CCCCBr JZ0370 [1,0,0,0,0,0|2,0,0]=3 64 B7R0.4 O=C(O)CNCCO RT16423 [1,0,0,0,0,0|3,0,0]=4 65 B7R0.4 O=C([O-])CCCCBr LT3131 [1,0,0,0,0,0|2,0,0]=3 66 B7R0.4 O=C([O-])CCCCO YH65793 [1,0,0,0,0,0|2,0,0]=3 67 B9R0.1 CCC(=O)OCCC(C)C XJ0333 [0,1,0,0,0,0|1,0,2]=4 68 B9R0.5 CCCCCC(=O)CCC XJ2740 [0,1,0,0,0,0|0,0,2]=3 69 B9R0.5 CCCCOC(=O)CCC LQ0432 [0,1,0,0,0,0|1,0,2]=4 70 B9R0.5 CCCCOC(=O)CCS XJ4276 [0,1,0,0,0,0|1,0,2]=4 71 B9R0.5 CCOC(=O)CCCCN LQ4498 [0,1,0,0,0,0|1,0,2]=4 72 B9R0.8 COC(=O)C(Br)CCCBr YH04323 [0,1,0,0,0,0|2,0,1]=4 73 B9R0.8 COC(=O)[C@H](N)CCCN JZ0421 [0,1,0,0,0,0|2,0,1]=4 74 B9R0.24 CCC(=O)CCC(=O)CC RT0042 [0,1,0,0,0,0|0,0,3]=4 75 B9R0.34 CCCC(O)CC(=O)OC RT1164 [0,1,0,0,0,0|1,0,1]=3 76 B9R0.46 C=CC(=O)OCCN=C=O YH66252 [0,1,0,0,0,0|2,0,1]=4 77 B9R0.46 C=CC(O)CCCCCC JZ5474 [0,1,0,0,0,0|0,0,2]=3 78 B9R0.46 CCCCCCC(=O)CC LQ1506 [0,1,0,0,0,0|0,0,2]=3 79 B9R0.46 CCCCCCC(=O)NC LQ4481 [0,1,0,0,0,0|1,0,1]=3 80 B9R0.46 CCCCCCC(C)C=O XJ3439 [0,1,0,0,0,0|2,0,1]=4 81 B9R0.46 CCCCCOC(=O)CC XJ1170 [0,1,0,0,0,0|0,0,2]=3 82 B9R0.47 C=C(C)C(=O)OCCCC LL0291 [0,1,0,0,0,0|1,0,0]=2 83 B9R0.47 CCCCCC(=O)N(C)C HL3038 [0,1,0,0,0,0|1,0,1]=3 84 B9R0.47 CCCCOC(=O)C(C)=O LT5784 [0,1,0,0,0,0|1,0,1]=3 85 B9R0.47 CCCCOC(=O)C(C)C LL0290 [0,1,0,0,0,0|1,0,2]=4 86 B9R1.1 CCC1=CNC(=O)C=C1 YH05768 [0,0,0,1,0,0|1,0,2]=4 87 B9R1.1 CCN1CCC(=O)CC1 XJ2485 [0,0,0,1,0,0|1,0,2]=4 88 B9R1.3 CC1CCCC(=O)C1=O XJ2361 [0,0,0,1,0,0|1,0,0]=2 89 B9R1.5 NC1CCCCNC1=O YH41189 [0,0,0,1,0,0|2,0,1]=4 90 B9R1.5 N[C@H]1CCCCNC1=O JZ0849 [0,0,0,1,0,0|2,0,1]=4 91 B9R1.5 O=C1CCCCCN1Br XJ2178 [0,0,0,1,0,0|2,0,0]=3 92 B9R1.7 CCC[C@H]1COC(=O)C1 YH66390 [0,0,0,1,0,0|1,0,1]=3 93 B9R1.7 CCOC1C=CC(=O)O1 YH51815 [0,0,0,1,0,0|2,0,0]=3 94 B9R1.11 COC(=O)C1CCCC1 LQ2705 [0,0,0,1,0,0|1,0,1]=3 95 B9R1.11 COC(=O)C1CCCO1 YH57736 [0,0,0,1,0,0|2,0,1]=4 96 B9R1.11 COC(=O)C1CCNC1 LL1732 [0,0,0,1,0,0|2,0,1]=4 97 B9R1.11 COC(=O)C1CCNC1 YH65491 [0,0,0,1,0,0|2,0,1]=4 98 B9R1.11 COC(=O)[C@@H]1CCNC1 YH91600 [0,0,0,1,0,0|2,0,1]=4 99 B9R1.11 NOC(=O)C1CCOC1 YH29839 [0,0,0,1,0,0|3,0,0]=4 100 B9R1.11 O=C(CCl)C1CCCC1 LX2685 [0,0,0,1,0,0|1,0,1]=3 101 B9R1.11 [C@@H]1(C(=O)OC)CCCN1 RT5470 [0,0,0,1,0,0|2,0,1]=4 102 B9R1.49 CN1CCCC(=O)CC1 CJ2109 [0,0,0,1,0,0|1,0,2]=4 103 B9R1.50 O=C1CCCCCCC1 XJ0860 [0,0,0,1,0,0|0,0,2]=3 104 B9R1.50 O=C1CCCCCCN1 YH13198 [0,0,0,1,0,0|1,0,1]=3 105 B9R1.89 COC1=NCCCCC1 YH49605 [0,0,0,1,0,0|2,0,1]=4 106 B9R1.89 O=CN1CCCCCC1 JZ5623 [0,0,0,1,0,0|3,0,0]=4 107 B6R0.6 C#CCCCCC HL0285 [2,0,0,0,0,0|0,0,2]=4 108 B6R0.6 C=CCCCCCl LQ1525 [2,0,0,0,0,0|1,0,0]=3 109 B6R0.6 C=CCSSCC LT5765 [2,0,0,0,0,0|2,0,0]=4 110 B6R0.6 CCCCCC#N HL0286 [2,0,0,0,0,0|1,0,1]=4 111 B6R0.6 CCCCCCCl HL1956 [2,0,0,0,0,0|1,0,1]=4 112 B6R0.6 CCCCCCI JZ4066 [2,0,0,0,0,0|1,0,1]=4 113 B6R0.6 CCCCCCO XJ0385 [2,0,0,0,0,0|0,0,2]=4 114 B6R0.6 CCCCCCS XJ0387 [2,0,0,0,0,0|0,1,1]=4 115 B6R0.6 CCCCCNC LT5645 [2,0,0,0,0,0|1,0,1]=4 116 B6R0.6 CCCCC[Mg]Cl JZ2964 [2,0,0,0,0,0|2,0,0]=4 117 B6R0.6 CCC\C=C\C=O LQ3146 [2,0,0,0,0,0|0,0,2]=4 118 B6R0.6 C\C=C\CCCO XJ3000 [2,0,0,0,0,0|1,0,1]=4 119 B6R0.6 C\C=C\SCCC YH55419 [2,0,0,0,0,0|1,0,1]=4 120 B6R0.6 O=CCCCC=O LT7833 [2,0,0,0,0,0|1,0,1]=4 121 B6R0.6 O=CCCCC=O YH24624 [2,0,0,0,0,0|1,0,1]=4 122 B6R0.6 O=CCCCCO YH66094 [2,0,0,0,0,0|1,0,0]=3 123 B6R0.1 C=CC(=O)OCC XJ0563 [2,0,0,0,0,0|1,0,0]=3 124 B6R0.1 CCCC(=O)CC HL0062 [2,0,0,0,0,0|0,0,2]=4 125 B6R0.1 CCCC(=O)NN JZ2316 [2,0,0,0,0,0|2,0,0]=4 126 B6R0.1 CCCC(=O)OC XJ1144 [2,0,0,0,0,0|1,0,1]=4 127 B6R0.1 CCCC(=O)SC XJ2150 [2,0,0,0,0,0|1,0,1]=4 128 B6R0.1 CCOC(=O)C=O LQ1498 [2,0,0,0,0,0|2,0,0]=4 129 B6R0.4 CCCCC(=O)[O-] RT0478 [2,0,0,0,0,0|1,0,0]=3 130 B6R0.4 CCCCC(N)=O HL0242 [2,0,0,0,0,0|1,0,0]=3 131 B6R0.4 CCCC[Sn](=O)S LQ4511 [2,0,0,0,0,0|2,0,0]=4 132 B6R0.4 CCCNC(C)=O JZ2722 [2,0,0,0,0,0|1,0,1]=4 133 B6R0.4 CCCNC(N)=O HL0246 [2,0,0,0,0,0|2,0,0]=4 134 B6R0.4 CCCOC(N)=O RT1458 [2,0,0,0,0,0|2,0,0]=4 135 B6R0.4 CCOCC(=O)Cl JZ4848 [2,0,0,0,0,0|2,0,0]=4 136 B6R0.4 COCCC(=O)O LQ2190 [2,0,0,0,0,0|2,0,0]=4 137 B6R0.4 CSCCC(=O)Cl XJ3231 [2,0,0,0,0,0|2,0,0]=4 138 B6R0.4 CSCCC(C)=O LT2666 [2,0,0,0,0,0|1,0,1]=4 139 B6R0.4 NCCCC(=O)O CJ3094 [2,0,0,0,0,0|2,0,0]=4 140 B6R0.4 NCCCC(N)=O RT0435 [2,0,0,0,0,0|2,0,0]=4 141 B6R0.4 O=C(Cl)CCCBr LQ1513 [2,0,0,0,0,0|2,0,0]=4 142 B6R0.4 O=C(O)CCCBr JZ2086 [2,0,0,0,0,0|2,0,0]=4 143 B6R0.4 O=C(O)CCCS RT19786 [2,0,0,0,0,0|2,0,0]=4 144 B8R0.1 C=CCC(O)CCCC LQ5051 [1,1,0,0,0,0|0,0,1]=3 145 B8R0.4 C=CCCCCCCC HL1481 [1,1,0,0,0,0|0,0,1]=3 146 B8R0.4 CCC\C=C\C=C\C=O LT5073 [1,1,0,0,0,0|0,0,2]=4 147 B8R0.7 CC(C)CCCCC=O RT0529 [1,1,0,0,0,0|1,0,1]=4 148 B8R0.7 CCCCCCC(=O)O XJ0376 [1,1,0,0,0,0|1,0,1]=4 149 B8R0.7 CCCCCOC(=S)[S-] XJ2277 [1,1,0,0,0,0|2,0,0]=4 150 B8R0.7 CCCCCOC(C)=O HL0284 [1,1,0,0,0,0|1,0,1]=4 151 B8R0.7 CCCC\C=C\C(C)=O XJ4452 [1,1,0,0,0,0|0,0,2]=4 152 B8R0.3 CCCC(Br)C(=O)OC JZ5299 [1,1,0,0,0,0|1,0,1]=4 153 B8R0.3 CCC[C@H](N)C(=O)OC YH07449 [1,1,0,0,0,0|1,0,1]=4 154 B8R0.8 C=C(C)C(=O)NCCO CJ3235 [1,1,0,0,0,0|2,0,0]=4 155 B8R0.8 C=C(C)C(=O)OCCO XJ1395 [1,1,0,0,0,0|2,0,0]=4 156 B8R0.9 C=CC(=O)CCC(=O)O RT1271 [1,1,0,0,0,0|1,0,1]=4 157 B8R0.9 C=CC(=O)COC(C)=O RT17537 [1,1,0,0,0,0|1,0,1]=4 158 B8R0.9 C=CC(=O)OCC(C)C HL1320 [1,1,0,0,0,0|1,0,0]=3 159 B8R0.9 C=CC(=O)OCC(C)O LT1991 [1,1,0,0,0,0|1,0,0]=3 160 B8R0.9 C=CC(=O)OCC(C)O XJ4840 [1,1,0,0,0,0|1,0,0]=3 161 B8R0.5 CCCC(O)CC(=O)O RT0532 [1,1,0,0,0,0|1,0,0]=3 162 B8R0.28 CC(=O)CCCC(=O)O LQ2357 [1,1,0,0,0,0|1,0,1]=4 163 B8R0.28 CC(=O)NCCC(C)C YH32371 [1,1,0,0,0,0|1,0,1]=4 164 B8R0.28 CC(C)CCCC(=O)O HL0282 [1,1,0,0,0,0|1,0,0]=3 165 B8R0.28 CC(O)CCCC(=O)O RT0557 [1,1,0,0,0,0|1,0,0]=3 166 B8R0.28 CN(C)CCCC(=O)O HL4424 [1,1,0,0,0,0|2,0,0]=4 167 B10R0.3 C\C(=C/CO)CCCC(C)C RT0559 [0,2,0,0,0,0|1,0,1]=4 168 B10R0.60 C=CC(=O)OCC[N+](C)(C)C LT1476 [0,2,0,0,0,0|2,0,0]=4 169 B10R0.60 C=CC(C)CCCC(C)(C)O LT7715 [0,2,0,0,0,0|1,0,1]=4 170 B10R0.82 C=C(C)C(=O)OCC(O)CO YH08857 [0,2,0,0,0,0|2,0,0]=4 171 B10R0.1 CCCCCOC(=O)CCC XJ0918 [0,2,0,0,0,0|0,0,2]=4 172 B10R0.1 CCOC(=O)CCCCCN XJ0704 [0,2,0,0,0,0|0,0,2]=4 173 B10R0.2 CCCC(O)CC(=O)OCC HL2209 [0,2,0,0,0,0|0,0,2]=4 174 B10R0.6 CCCCCC(=O)OC(C)C HL2217 [0,2,0,0,0,0|0,0,2]=4 175 B10R0.19 CCCCC(Br)C(=O)OCC LQ1177 [0,2,0,0,0,0|0,0,2]=4 176 B10R0.83 COC(=O)C(N)CCCCN JZ1661 [0,2,0,0,0,0|1,0,1]=4 177 B10R0.83 COC(=O)[C@H](N)CCCCN YH66174 [0,2,0,0,0,0|1,0,1]=4 178 B10R0.91 CCCCCC(=O)CCCC LQ1465 [0,2,0,0,0,0|0,0,2]=4 179 B10R0.74 CCCCCCCC(=O)CC LQ1524 [0,2,0,0,0,0|0,0,2]=4 180 B10R0.74 CCCCCCCC(=O)OC XJ0374 [0,2,0,0,0,0|1,0,1]=4 181 B10R0.74 CCCCCCOC(=O)C=O RT0562 [0,2,0,0,0,0|1,0,0]=3 182 B10R0.74 CCCCCCOC(=O)CC XJ2189 [0,2,0,0,0,0|0,0,2]=4 183 B10R0.74 CCCCC\C=C\C(=O)OC JZ3091 [0,2,0,0,0,0|1,0,1]=4 184 B10R0.74 CCCC\C=C\CC(=O)OC CJ3120 [0,2,0,0,0,0|1,0,1]=4 185 B10R0.74 COC(=O)CCCCCCN RT1454 [0,2,0,0,0,0|1,0,1]=4 186 B8R1.2 COC1=CC=CCC1 JZ1877 [1,0,0,1,0,0|1,0,1]=4 187 B8R1.2 O=CC1=CCCCC1 JZ4462 [1,0,0,1,0,0|1,0,1]=4 188 B8R1.2 O=CC1CCCCC1 JZ0373 [1,0,0,1,0,0|1,0,1]=4 189 B8R1.2 O=CC1CCCCC1 LT7159 [1,0,0,1,0,0|1,0,1]=4 190 B8R1.2 O=CN1CCCCC1 JZ2045 [1,0,0,1,0,0|2,0,0]=4 191 B8R1.2 OCC1CCC=CO1 LT2060 [1,0,0,1,0,0|2,0,0]=4 192 B8R1.5 C=C1CCCCC1Cl RT11015 [1,0,0,1,0,0|1,0,1]=4 193 B8R1.5 CC1CCCCC1=O XJ1009 [1,0,0,1,0,0|1,0,1]=4 194 B8R1.8 O=CCC1CCCC1 RT17688 [1,0,0,1,0,0|1,0,1]=4 195 B8R1.11 CCC1CCCC1=O XJ2821 [1,0,0,1,0,0|1,0,1]=4 196 B8R1.22 O=C1CCCCCC1 LT4672 [1,0,0,1,0,0|1,0,1]=4 197 B8R1.49 C1=CCCCCCC1 LQ1558 [1,0,0,1,0,0|0,0,1]=3 198 B8R1.1 O=C1C=C[C@H](CO)O1 LL1404 [1,0,0,1,0,0|2,0,0]=4 199 B8R1.3 CC1=CCC(=O)CC1 RT16462 [1,0,0,1,0,0|0,0,2]=4 200 B8R1.3 CC1CCC(=O)CC1 HL0070 [1,0,0,1,0,0|0,0,2]=4 201 B8R1.50 CC1=C(O)C(=O)CC1 XJ0127 [1,0,0,1,0,0|1,0,1]=4 202 B8R1.4 CC1=CC(=O)CCC1 JZ4467 [1,0,0,1,0,0|0,0,1]=3 203 B8R1.4 CC1CCCC(=O)O1 LQ1481 [1,0,0,1,0,0|1,0,0]=3 204 B8R1.4 C[C@H]1CC(=O)CCO1 YH66361 [1,0,0,1,0,0|1,0,1]=4 205 B8R1.4 NC1=CC(=O)CCC1 LQ2849 [1,0,0,1,0,0|1,0,1]=4 206 B8R1.4 NC1CCCC(=O)C1 YH35862 [1,0,0,1,0,0|1,0,1]=4 207 B8R1.7 CC(=O)C1CCCC1 RT17591 [1,0,0,1,0,0|0,0,1]=3 208 B8R1.7 NC(=O)C1CCCN1 RT6733 [1,0,0,1,0,0|2,0,0]=4 209 B8R1.7 NC(=O)[C@@H]1CCCN1 LT6095 [1,0,0,1,0,0|2,0,0]=4 210 B8R1.7 O=C(O)C1CCCO1 LT5095 [1,0,0,1,0,0|2,0,0]=4 211 B8R1.7 O=C(O)C1CCNC1 YH08955 [1,0,0,1,0,0|2,0,0]=4 212 B8R1.7 O=C(O)[C@@H]1CCCN1 JZ0527 [1,0,0,1,0,0|2,0,0]=4 213 B8R1.7 O=C(O)[C@@H]1CCCO1 XJ6513 [1,0,0,1,0,0|2,0,0]=4 214 B8R1.7 O=C(O)[C@@H]1CCNC1 YH13838 [1,0,0,1,0,0|2,0,0]=4 215 B8R1.7 O=C(O)[C@@H]1CCOC1 YH12920 [1,0,0,1,0,0|2,0,0]=4 216 B8R1.7 O=C(O)[C@H]1CCCO1 XJ6512 [1,0,0,1,0,0|2,0,0]=4 217 B8R1.7 O=C(O)[C@H]1CCNC1 JZ0220 [1,0,0,1,0,0|2,0,0]=4 218 B8R1.7 O=C(O)[C@H]1CCNC1 LT4960 [1,0,0,1,0,0|2,0,0]=4 219 B8R1.7 O=C(O)[C@H]1CCOC1 YH39058 [1,0,0,1,0,0|2,0,0]=4 220 B8R1.7 O=[N+]([O-])C1CCCC1 LQ2246 [1,0,0,1,0,0|2,0,0]=4 221 B10R1.54 CC(C)CC1CNC(=O)C1 RT14639 [0,1,0,1,0,0|1,0,1]=4 222 B10R1.19 C=CN1CCCCCC1=O XJ2095 [0,1,0,1,0,0|0,0,0]=2 223 B10R1.21 CCCCCC1=CC=CO1 HL2632 [0,1,0,1,0,0|0,0,1]=3 224 B10R1.78 O=C1CCCCCCCN1 JZ4295 [0,1,0,1,0,0|0,0,2]=4 225 B10R1.377 C=CCC1(O)CCCCC1 HL0666 [0,1,0,1,0,0|0,0,2]=4 226 B10R1.15 CCC(=O)C1CCCCC1 HL0671 [0,1,0,1,0,0|0,0,2]=4 227 B10R1.15 COC(=O)C1CCCCC1 RT0241 [0,1,0,1,0,0|1,0,1]=4 228 B10R1.15 COC(=O)C1CCCCN1 YH00803 [0,1,0,1,0,0|1,0,1]=4 229 B10R1.15 COC(=O)C1CCCNC1 LT0511 [0,1,0,1,0,0|1,0,1]=4 230 B10R1.15 COC(=O)C1CCCNC1 YH04054 [0,1,0,1,0,0|1,0,1]=4 231 B10R1.15 COC(=O)C1CCNCC1 LT5901 [0,1,0,1,0,0|1,0,1]=4 232 B10R1.15 COC(=O)C1CCOCC1 LL1859 [0,1,0,1,0,0|1,0,1]=4 233 B10R1.15 COC(=O)[C@@H]1CCCCN1 LT0320 [0,1,0,1,0,0|1,0,1]=4 234 B10R1.15 COC(=O)[C@@H]1CCCCN1 YH56731 [0,1,0,1,0,0|1,0,1]=4 235 B10R1.15 NNC(=O)C1CCCCC1 YH58666 [0,1,0,1,0,0|2,0,0]=4 236 B10R1.275 CN1CCCC[C@H](N)C1=O LX2515 [0,1,0,1,0,0|1,0,1]=4 237 B10R1.411 COC(=O)C1(N)CCCC1 LT1103 [0,1,0,1,0,0|1,0,1]=4 238 B10R1.27 C=CC(=O)OC1CCCO1 JZ1993 [0,1,0,1,0,0|1,0,0]=3 239 B10R1.27 COC(=O)CC1CCCC1 XJ2279 [0,1,0,1,0,0|1,0,1]=4 240 B10R1.27 COC(=O)C[C@@H]1CCNC1 YH66282 [0,1,0,1,0,0|1,0,1]=4 241 B10R1.27 COC(=O)C[C@H]1CCNC1 YH66281 [0,1,0,1,0,0|1,0,1]=4 242 B10R1.1 C=CCC1C=CC(=O)CC1 RT16420 [0,1,0,1,0,0|0,0,1]=3 243 B10R1.1 CCCC1CCC(=O)CC1 LQ5064 [0,1,0,1,0,0|0,0,2]=4 244 B10R1.1 CCCN1CCC(=O)CC1 LQ4369 [0,1,0,1,0,0|0,0,2]=4 245 B10R1.2 CCN1CCNC(=O)C1=O LT5629 [0,1,0,1,0,0|2,0,0]=4 246 B10R2.178 O=C1CCC2CCC1C2 HL2848 [0,0,0,2,0,0|0,0,2]=4