0 B8R0.28 C=C(C)CCOC(C)=O LQ2782 [0,0,0,0,0,0|0,0,2]=2 1 B8R0.28 CC(=O)CCCC(=O)O LQ2357 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.28 CC(=O)NCCC(=O)O XJ2381 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.28 CC(=O)NCCC(C)C YH32371 [0,0,0,0,0,0|1,0,0]=1 4 B8R0.28 CC(=O)O[Pd]OC(C)=O HL2514 [0,0,0,0,0,0|3,0,1]=4 5 B8R0.28 CC(=O)SCC=C(C)C RT19804 [0,0,0,0,0,0|0,1,2]=3 6 B8R0.28 CC(=O)SCCC(=O)O RT16513 [0,0,0,0,0,0|2,1,1]=4 7 B8R0.28 CC(C)CCCC(=O)O HL0282 [0,0,0,0,0,0|2,0,0]=2 8 B8R0.28 CC(C)CCOC(=S)[S-] LQ1523 [0,0,0,0,0,0|1,1,0]=2 9 B8R0.28 CC(C)CCO[N+](=O)[O-] XJ0969 [0,0,0,0,0,0|2,0,0]=2 10 B8R0.28 CC(C)COCC(C)C HL0283 [0,0,0,0,0,0|3,0,1]=4 11 B8R0.28 CC(C)C[AlH3+]CC(C)C JZ4448 [0,0,0,0,0,0|3,0,1]=4 12 B8R0.28 CC(C)C[AlH3+]CC(C)C XJ1920 [0,0,0,0,0,0|3,0,1]=4 13 B8R0.28 CC(C)C\C=C\C(=O)O RT1138 [0,0,0,0,0,0|2,0,1]=3 14 B8R0.28 CC(O)CCCC(=O)O RT0557 [0,0,0,0,0,0|3,0,0]=3 15 B8R0.28 CN(C)CCCC(=O)O HL4424 [0,0,0,0,0,0|3,0,0]=3 16 B8R0.28 CN(C)C\C=C\C(=O)O RT4916 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.4 C(=O)OCCC(C)C LL0422 [1,0,0,0,0,0|0,0,0]=1 18 B7R0.4 C=CCCCC(C)C JZ3497 [1,0,0,0,0,0|1,0,1]=3 19 B7R0.4 CC(=O)SCCCBr RT1374 [1,0,0,0,0,0|1,1,0]=3 20 B7R0.4 CC(C)CCCC=O RT0513 [1,0,0,0,0,0|1,0,0]=2 21 B7R0.4 CC(C)CCCCO RT0516 [1,0,0,0,0,0|1,0,2]=4 22 B7R0.4 CC(C)OCCCN LT2607 [1,0,0,0,0,0|2,0,1]=4 23 B7R0.4 CCCCCC(C)C HL0115 [1,0,0,0,0,0|1,0,1]=3 24 B7R0.4 CCCCCC(C)N JZ2985 [1,0,0,0,0,0|2,0,1]=4 25 B7R0.4 CCCCCC(C)N XJ0515 [1,0,0,0,0,0|2,0,1]=4 26 B7R0.4 CCCCCC(N)=O HL0268 [1,0,0,0,0,0|2,0,0]=3 27 B7R0.4 CCCCC[C@H](C)O JZ2825 [1,0,0,0,0,0|1,0,2]=4 28 B7R0.4 CCCCNC(N)=S LQ1811 [1,0,0,0,0,0|2,1,0]=4 29 B7R0.4 CCCCOC(=S)[S-] XJ1408 [1,0,0,0,0,0|1,1,0]=3 30 B7R0.4 CCCCOC(C)=O HL1469 [1,0,0,0,0,0|0,0,0]=1 31 B7R0.4 CCCCOC(N)=O LT4346 [1,0,0,0,0,0|1,0,0]=2 32 B7R0.4 CCCCO[N+](=O)[O-] RT17647 [1,0,0,0,0,0|2,0,0]=3 33 B7R0.4 CCCCSC(C)=O LQ1519 [1,0,0,0,0,0|0,1,0]=2 34 B7R0.4 CCC\C=C\C(=O)O JZ4447 [1,0,0,0,0,0|2,0,1]=4 35 B7R0.4 CCC\C=C\C(C)=O XJ1585 [1,0,0,0,0,0|1,0,1]=3 36 B7R0.4 CCNCCN(C)C XJ0516 [1,0,0,0,0,0|2,0,1]=4 37 B7R0.4 CNCCCC(=O)O RT0333 [1,0,0,0,0,0|3,0,0]=4 38 B7R0.4 COCCOC(=O)Cl HL0272 [1,0,0,0,0,0|2,0,0]=3 39 B7R0.4 CS(=O)CCCCN RT4961 [1,0,0,0,0,0|3,0,0]=4 40 B7R0.4 C[S@@](=O)CCCCN RT4965 [1,0,0,0,0,0|3,0,0]=4 41 B7R0.4 O=C(Cl)CCCCBr HL2752 [1,0,0,0,0,0|3,0,0]=4 42 B7R0.4 O=C(Cl)CCCCCl LT3549 [1,0,0,0,0,0|3,0,0]=4 43 B7R0.4 O=C(Cl)OCCCCl LT2580 [1,0,0,0,0,0|2,0,0]=3 44 B7R0.4 O=C(O)CCCCBr JZ0370 [1,0,0,0,0,0|3,0,0]=4 45 B7R0.4 O=C([O-])CCCCBr LT3131 [1,0,0,0,0,0|3,0,0]=4 46 B7R0.4 O=C([O-])CCCCO YH65793 [1,0,0,0,0,0|3,0,0]=4 47 B9R0.1 C=CC(C)CCC=C(C)C LT5133 [0,1,0,0,0,0|2,0,1]=4 48 B9R0.1 CCC(=O)OCCC(C)C XJ0333 [0,1,0,0,0,0|0,0,0]=1 49 B9R0.1 COC(=O)\C=C\CN(C)C RT4829 [0,1,0,0,0,0|2,0,1]=4 50 B9R0.1 COC(C)CCOC(=O)Cl JZ0071 [0,1,0,0,0,0|1,0,0]=2 51 B9R0.1 COC(C)CCOC(C)=O XJ2686 [0,1,0,0,0,0|0,0,0]=1 52 B9R0.7 C=C(C)C(=O)OCC(C)C LL0289 [0,1,0,0,0,0|3,0,0]=4 53 B9R0.7 CC(=O)OC[C@H](N)C(=O)O YH12829 [0,1,0,0,0,0|2,0,1]=4 54 B9R0.7 CC(C)CC[C@@H](N)C(=O)O HL3488 [0,1,0,0,0,0|2,0,0]=3 55 B9R0.7 CC(C)CC[C@H](N)C(=O)O RT5348 [0,1,0,0,0,0|2,0,0]=3 56 B9R0.53 CC(=O)CC(=O)OC(C)C XJ0948 [0,1,0,0,0,0|2,0,1]=4 57 B9R0.53 CC(C)CC(O)CC(C)C RT1220 [0,1,0,0,0,0|2,0,1]=4 58 B9R0.53 CC(C)C[C@H](N)CC(=O)O YH47842 [0,1,0,0,0,0|2,0,0]=3 59 B9R0.53 CN(C)C[C@H](O)CC(=O)O RT1299 [0,1,0,0,0,0|3,0,0]=4 60 B9R0.56 CC(C)CCCC(C)(C)O JZ3702 [0,1,0,0,0,0|1,0,2]=4 61 B9R0.56 CN(C)CCOP(=O)(O)O RT4806 [0,1,0,0,0,0|3,0,0]=4 62 B9R0.56 C[N+](C)(C)CCOC(N)=O HL1007 [0,1,0,0,0,0|2,0,0]=3 63 B9R1.35 CC(C)[C@H]1CSC(=S)N1 LT5892 [0,0,0,1,0,0|1,2,0]=4 64 B9R1.35 CC1CC[C@@H](C(=O)O)N1 YH93916 [0,0,0,1,0,0|3,0,0]=4 65 B9R1.49 CN1CCCC(=O)CC1 CJ2109 [0,0,0,1,0,0|2,0,0]=3 66 B9R1.49 CN1CCNC(=O)CC1 LQ2863 [0,0,0,1,0,0|2,0,0]=3 67 B9R1.49 CN1CCNC(=O)CC1 YH09522 [0,0,0,1,0,0|2,0,0]=3 68 B9R1.53 CC(=O)OC1CC(=O)N1 LQ4610 [0,0,0,1,0,0|2,0,1]=4 69 B9R1.66 CC1(O)CCOC(=O)C1 HL0327 [0,0,0,1,0,0|1,0,0]=2 70 B9R1.66 CN1CCO[Si](C)(C)C1 XJ3557 [0,0,0,1,0,0|2,1,0]=4 71 B9R1.85 O=C(O)COCC1CC1 RT17500 [0,0,0,1,0,0|3,0,0]=4 72 B7R0.6 C=C(C)CCC(=C)C HL0259 [0,0,0,0,1,0|1,0,2]=4 73 B7R0.6 CC(=O)CCC(=O)O RT1110 [0,0,0,0,1,0|2,0,1]=4 74 B7R0.6 CC(=O)CCC(C)=O LL0405 [0,0,0,0,1,0|1,0,1]=3 75 B7R0.6 CC(=O)CCC(C)C LL0404 [0,0,0,0,1,0|0,0,0]=1 76 B7R0.6 CC(=O)CNC(C)=O YH65583 [0,0,0,0,1,0|2,0,1]=4 77 B7R0.6 CC(=O)OCC(=O)Cl LT1689 [0,0,0,0,1,0|2,0,1]=4 78 B7R0.6 CC(=O)\C=C\C(C)C LQ2825 [0,0,0,0,1,0|0,0,2]=3 79 B7R0.6 CC(=O)\C=C\N(C)C RT1440 [0,0,0,0,1,0|1,0,2]=4 80 B7R0.6 CC(Br)CCC(C)Br LQ4435 [0,0,0,0,1,0|2,0,1]=4 81 B7R0.6 CC(C)CCC(=O)O XJ1215 [0,0,0,0,1,0|1,0,0]=2 82 B7R0.6 CC(C)CCC(C)C HL0113 [0,0,0,0,1,0|1,0,1]=3 83 B7R0.6 CC(C)CCC(C)N RT0214 [0,0,0,0,1,0|1,0,1]=3 84 B7R0.6 CC(C)CCC(C)O HL0260 [0,0,0,0,1,0|0,0,2]=3 85 B7R0.6 CC(C)CNC(N)=O RT15753 [0,0,0,0,1,0|2,0,0]=3 86 B7R0.6 CC(C)COC(=O)Cl XJ0965 [0,0,0,0,1,0|1,0,0]=2 87 B7R0.6 CC(O)CCC(C)O JZ2163 [0,0,0,0,1,0|1,0,2]=4 88 B7R0.6 C[S+](C)CCC(=O)O RT0388 [0,0,0,0,1,0|2,0,0]=3 89 B7R0.6 C[S+](C)CCC(=O)[O-] LQ3247 [0,0,0,0,1,0|2,0,0]=3 90 B9R0.55 CC(C)=CCCC=C(C)C LQ3977 [0,0,0,0,0,1|2,0,1]=4 91 B9R0.55 CC(C)CCCCC(=O)[O-] LL1076 [0,0,0,0,0,1|2,0,0]=3 92 B9R0.55 CC(C)CCCCC(=O)[O-] XJ6478 [0,0,0,0,0,1|2,0,0]=3 93 B9R0.55 CC(C)CCCCC(C)C LQ1649 [0,0,0,0,0,1|2,0,1]=4 94 B6R0.4 C#CCCC(C)C JZ1939 [2,0,0,0,0,0|0,0,2]=4 95 B6R0.4 C#CCOC(C)=O HL0247 [2,0,0,0,0,0|0,0,2]=4 96 B6R0.4 C=CCCC(C)=O LQ0437 [2,0,0,0,0,0|0,0,2]=4 97 B6R0.4 C=CCCC(C)C JZ2300 [2,0,0,0,0,0|0,0,1]=3 98 B6R0.4 C=CCOC(C)=O HL0108 [2,0,0,0,0,0|0,0,2]=4 99 B6R0.4 CC(=O)NCCCl JZ3076 [2,0,0,0,0,0|2,0,0]=4 100 B6R0.4 CC(=O)NCCN HL0561 [2,0,0,0,0,0|2,0,0]=4 101 B6R0.4 CC(=O)OCCBr LQ1516 [2,0,0,0,0,0|1,0,0]=3 102 B6R0.4 CC(C)CCC=O RT0502 [2,0,0,0,0,0|0,0,0]=2 103 B6R0.4 CC(C)CCCBr HL0240 [2,0,0,0,0,0|1,0,1]=4 104 B6R0.4 CC(C)COC=O XJ0953 [2,0,0,0,0,0|0,0,0]=2 105 B6R0.4 CCCCC(=O)[O-] RT0478 [2,0,0,0,0,0|1,0,0]=3 106 B6R0.4 CCCCC(C)Br HL2516 [2,0,0,0,0,0|1,0,1]=4 107 B6R0.4 CCCCC(N)=O HL0242 [2,0,0,0,0,0|1,0,0]=3 108 B6R0.4 CCCC[Sn](=O)S LQ4511 [2,0,0,0,0,0|2,0,0]=4 109 B6R0.4 CCCNC(C)=O JZ2722 [2,0,0,0,0,0|1,0,0]=3 110 B6R0.4 CCCNC(N)=O HL0246 [2,0,0,0,0,0|2,0,0]=4 111 B6R0.4 CCCOC(N)=O RT1458 [2,0,0,0,0,0|1,0,0]=3 112 B6R0.4 CCCSC(C)C HL2844 [2,0,0,0,0,0|1,0,1]=4 113 B6R0.4 CCOCC(=O)Cl JZ4848 [2,0,0,0,0,0|2,0,0]=4 114 B6R0.4 CNCCN(C)C XJ0598 [2,0,0,0,0,0|2,0,0]=4 115 B6R0.4 COCCC(=O)O LQ2190 [2,0,0,0,0,0|2,0,0]=4 116 B6R0.4 COCCC(C)O LT2442 [2,0,0,0,0,0|1,0,0]=3 117 B6R0.4 CSCCC(=O)Cl XJ3231 [2,0,0,0,0,0|2,0,0]=4 118 B6R0.4 CSCCC(C)=O LT2666 [2,0,0,0,0,0|1,0,0]=3 119 B6R0.4 NCCCC(=O)O CJ3094 [2,0,0,0,0,0|2,0,0]=4 120 B6R0.4 NCCCC(N)=O RT0435 [2,0,0,0,0,0|2,0,0]=4 121 B6R0.4 O=C(Cl)CCCBr LQ1513 [2,0,0,0,0,0|2,0,0]=4 122 B6R0.4 O=C(O)CCCBr JZ2086 [2,0,0,0,0,0|2,0,0]=4 123 B6R0.4 O=C(O)CCCS RT19786 [2,0,0,0,0,0|2,0,0]=4 124 B6R0.6 CCCCCNC LT5645 [2,0,0,0,0,0|2,0,0]=4 125 B6R0.6 CCCCOCC HL0289 [2,0,0,0,0,0|0,0,1]=3 126 B6R0.6 CCCCOCCl LT4489 [2,0,0,0,0,0|1,0,1]=4 127 B6R0.6 CCCCSCC JZ4067 [2,0,0,0,0,0|0,1,1]=4 128 B6R0.6 CCC\C=C\C=O LQ3146 [2,0,0,0,0,0|1,0,1]=4 129 B6R0.6 CCOCCCCl XJ5236 [2,0,0,0,0,0|1,0,1]=4 130 B6R0.6 CCOCCOC LQ2802 [2,0,0,0,0,0|1,0,1]=4 131 B6R0.6 C\C=C\CCCO XJ3000 [2,0,0,0,0,0|2,0,0]=4 132 B6R0.6 C\C=C\SCCC YH55419 [2,0,0,0,0,0|2,0,0]=4 133 B6R0.6 O=CCCCCO YH66094 [2,0,0,0,0,0|2,0,0]=4 134 B8R0.5 CCCC(O)CC(=O)O RT0532 [1,1,0,0,0,0|2,0,0]=4 135 B8R0.5 COCC(C)OC(C)=O LQ0411 [1,1,0,0,0,0|1,0,0]=3 136 B8R0.6 C=CC(=O)OCCCC XJ0575 [1,1,0,0,0,0|0,0,1]=3 137 B8R0.6 CCCCCC(=O)CC HL1322 [1,1,0,0,0,0|1,0,0]=3 138 B8R0.6 CCCCCC(=O)OC HL1324 [1,1,0,0,0,0|1,0,0]=3 139 B8R0.6 CCCCOC(=O)C=O LQ3022 [1,1,0,0,0,0|0,0,1]=3 140 B8R0.6 CCCCOC(=O)CCl HL0074 [1,1,0,0,0,0|0,0,0]=2 141 B8R0.6 CCCCOC(=O)CO LT4349 [1,1,0,0,0,0|0,0,0]=2 142 B8R0.6 CCC\C=C\C(=O)OC JZ1988 [1,1,0,0,0,0|1,0,1]=4 143 B8R0.6 COC(=O)CCCCCl XJ4043 [1,1,0,0,0,0|2,0,0]=4 144 B8R0.6 COC(=O)CCCCO RT18638 [1,1,0,0,0,0|2,0,0]=4 145 B8R0.7 CC(=O)OCCCCCl LT2385 [1,1,0,0,0,0|0,0,0]=2 146 B8R0.7 CC(=O)OCCCCI LQ5055 [1,1,0,0,0,0|0,0,0]=2 147 B8R0.7 CC(=O)OCCOCBr YH19992 [1,1,0,0,0,0|1,0,0]=3 148 B8R0.7 CC(=O)SCCCC#N RT17765 [1,1,0,0,0,0|0,1,1]=4 149 B8R0.7 CC(C)CCCCC=O RT0529 [1,1,0,0,0,0|1,0,0]=3 150 B8R0.7 CC(C)CCCCCO RT1226 [1,1,0,0,0,0|1,0,1]=4 151 B8R0.7 CCCCCCC(=O)O XJ0376 [1,1,0,0,0,0|2,0,0]=4 152 B8R0.7 CCCCCOC(=S)[S-] XJ2277 [1,1,0,0,0,0|1,1,0]=4 153 B8R0.7 CCCCCOC(C)=O HL0284 [1,1,0,0,0,0|0,0,0]=2 154 B8R0.7 CCCCOCC(=O)O HL2310 [1,1,0,0,0,0|1,0,0]=3 155 B8R0.7 CCCCOCC(C)O JZ5031 [1,1,0,0,0,0|0,0,2]=4 156 B8R0.7 CCCC\C=C\C(C)=O XJ4452 [1,1,0,0,0,0|1,0,0]=3 157 B8R0.7 CCOCCOC(=O)Cl JZ0072 [1,1,0,0,0,0|1,0,0]=3 158 B8R0.7 CC\C=C\CCC(C)O RT1178 [1,1,0,0,0,0|2,0,0]=4 159 B8R0.7 CN(C)CCOCCO LQ1936 [1,1,0,0,0,0|1,0,1]=4 160 B8R0.7 CSCCCOC(C)=O LQ3932 [1,1,0,0,0,0|0,0,0]=2 161 B8R0.7 NCCCCCC(=O)O JZ1196 [1,1,0,0,0,0|2,0,0]=4 162 B8R0.7 NCCCCCC(=O)O RT0574 [1,1,0,0,0,0|2,0,0]=4 163 B8R0.7 O=C(Cl)CCCCCCl XJ4464 [1,1,0,0,0,0|2,0,0]=4 164 B8R0.7 O=C(O)CCCCCBr HL2738 [1,1,0,0,0,0|2,0,0]=4 165 B8R0.7 O=C(O)CCCCCCl LT3590 [1,1,0,0,0,0|2,0,0]=4 166 B8R0.7 O=C(O)CCCCCO JZ4450 [1,1,0,0,0,0|2,0,0]=4 167 B8R0.8 CCCCC(C)C(=O)Cl XJ5458 [1,1,0,0,0,0|2,0,0]=4 168 B8R0.8 CCCCC(C)C(C)=O LQ2154 [1,1,0,0,0,0|1,0,0]=3 169 B8R0.8 CCCCC(O)C(C)C LQ4085 [1,1,0,0,0,0|1,0,1]=4 170 B8R0.8 CCCC[C@H](N)C(=O)O RT3896 [1,1,0,0,0,0|2,0,0]=4 171 B8R0.9 CC(=O)OCC(O)CO LQ4515 [1,1,0,0,0,0|1,0,0]=3 172 B8R0.9 CCC(C)COC(=O)Cl RT18691 [1,1,0,0,0,0|1,0,0]=3 173 B8R0.9 NC(=O)OCC(Br)CBr XJ5757 [1,1,0,0,0,0|2,0,0]=4 174 B8R0.21 CC(C)(S)CCOC=O RT1370 [1,1,0,0,0,0|0,0,0]=2 175 B8R0.21 CCCCOP(=O)(O)O RT1334 [1,1,0,0,0,0|2,0,0]=4 176 B8R0.21 CCCCOS(C)(=O)=O YH65079 [1,1,0,0,0,0|1,0,0]=3 177 B8R0.21 CCCCSS(C)(=O)=O RT17820 [1,1,0,0,0,0|1,1,0]=4 178 B8R0.21 CNCCOS(C)(=O)=S RT1461 [1,1,0,0,0,0|2,0,0]=4 179 B8R0.21 CS(=O)(=S)OCCCN RT0349 [1,1,0,0,0,0|2,0,0]=4 180 B8R0.23 C=C(CC(C)C)C(C)=O RT0525 [0,1,0,0,1,0|0,0,1]=3 181 B8R0.23 CC(C)CC(=O)C(=O)[O-] XJ6659 [0,1,0,0,1,0|1,0,1]=4 182 B8R0.23 CC(C)CC(=O)C(=O)[O-] YH04847 [0,1,0,0,1,0|1,0,1]=4 183 B8R0.23 CC(C)CC(O)C(=O)O XJ0828 [0,1,0,0,1,0|1,0,0]=3 184 B8R0.23 CC(C)C[C@H](N)C(=O)O JZ0522 [0,1,0,0,1,0|1,0,0]=3 185 B8R0.23 CC(C)C[C@H](N)C(N)=O LQ3425 [0,1,0,0,1,0|1,0,0]=3 186 B8R0.23 CC(C)[C@@H](N)CC(=O)O YH59764 [0,1,0,0,1,0|1,0,0]=3 187 B8R0.23 CC(C)[C@H](N)CC(=O)O YH17525 [0,1,0,0,1,0|1,0,0]=3 188 B8R0.29 CC(O)COS(C)(=O)=O RT1361 [0,1,0,0,1,0|2,0,0]=4 189 B8R0.29 C[C@@H](O)COS(C)(=O)=O RT0045 [0,1,0,0,1,0|2,0,0]=4 190 B8R0.29 C[C@@H](O)COS(C)(=O)=O RT0046 [0,1,0,0,1,0|2,0,0]=4 191 B8R0.29 C[Si](C)(C)CCC(=O)[O-] RT1133 [0,1,0,0,1,0|1,1,0]=4 192 B10R0.96 CC(=O)CC(=O)OCC(C)C XJ3346 [0,1,0,0,0,1|1,0,1]=4 193 B10R0.96 CC(=O)OCC(C)OC(C)=O LQ5556 [0,1,0,0,0,1|1,0,1]=4 194 B10R0.96 CC(=O)OCC(C)OC(C)=O XJ1160 [0,1,0,0,0,1|1,0,1]=4 195 B10R0.98 CC(C)CCOC(=O)C(C)C HL2078 [0,1,0,0,0,1|1,0,1]=4 196 B10R0.3 C(=O)CC(C)CCC=C(C)C XJ0351 [0,2,0,0,0,0|2,0,0]=4 197 B10R0.3 CC(C)=CCCC(C)CC#N LT4593 [0,2,0,0,0,0|2,0,0]=4 198 B10R0.3 CC(C)=CCCC(C)CCO RT0095 [0,2,0,0,0,0|2,0,0]=4 199 B10R0.3 CC(C)=CCCC(C)CCO XJ0350 [0,2,0,0,0,0|2,0,0]=4 200 B10R0.3 CCOC(=O)\C=C\CC(C)C RT1131 [0,2,0,0,0,0|1,0,1]=4 201 B10R0.3 C\C(=C/CO)CCCC(C)C RT0559 [0,2,0,0,0,0|1,0,1]=4 202 B10R0.44 COC(=O)CC(=O)CC(C)C YH66121 [0,2,0,0,0,0|1,0,1]=4 203 B10R0.60 C=CC(=O)OCC[N+](C)(C)C LT1476 [0,2,0,0,0,0|1,0,1]=4 204 B10R0.60 COC(=O)CCC[N+](C)(C)C JZ3701 [0,2,0,0,0,0|2,0,0]=4 205 B10R0.65 CCC(C)(O)CCC=C(C)C HL2171 [0,2,0,0,0,0|2,0,0]=4 206 B10R0.31 CC(=O)OC(C)C[N+](C)(C)C RT4909 [0,2,0,0,0,0|1,0,0]=3 207 B10R0.31 CC(CC(=O)Cl)CC(C)(C)C JZ0075 [0,2,0,0,0,0|2,0,0]=4 208 B10R0.31 CC(CC(=O)O)CC(C)(C)C HL1902 [0,2,0,0,0,0|2,0,0]=4 209 B10R0.31 CC(C[N+](C)(C)C)OC(N)=O HL0084 [0,2,0,0,0,0|2,0,0]=4 210 B10R0.31 C[C@@H](C[N+](C)(C)C)OC(N)=O RT0610 [0,2,0,0,0,0|2,0,0]=4 211 B10R0.31 C[C@H](C[N+](C)(C)C)OC(N)=O RT0609 [0,2,0,0,0,0|2,0,0]=4 212 B10R0.70 CC(C)CC(CN)CC(=O)O LX3233 [0,2,0,0,0,0|2,0,0]=4 213 B10R0.70 CC(C)CC(CN)CC(=O)O RT17933 [0,2,0,0,0,0|2,0,0]=4 214 B10R0.70 CC(C)C[C@H](CN)CC(=O)O CJ2244 [0,2,0,0,0,0|2,0,0]=4 215 B8R1.1 NCC1COC(=O)N1 RT4368 [1,0,0,1,0,0|2,0,0]=4 216 B8R1.4 CC1CCCC(=O)O1 LQ1481 [1,0,0,1,0,0|2,0,0]=4 217 B8R1.4 CC1CCCC(C)C1 HL0097 [1,0,0,1,0,0|1,0,1]=4 218 B8R1.4 CC1CCNC(=N)C1 LT0381 [1,0,0,1,0,0|2,0,0]=4 219 B8R1.4 C[C@H]1CC(=O)CCO1 YH66361 [1,0,0,1,0,0|2,0,0]=4 220 B8R1.4 NC1CCCC(=O)C1 YH35862 [1,0,0,1,0,0|2,0,0]=4 221 B8R1.4 NC1CCNC(=O)C1 JZ2737 [1,0,0,1,0,0|2,0,0]=4 222 B8R1.4 O=C1CC(O)CCN1 HL4116 [1,0,0,1,0,0|2,0,0]=4 223 B8R1.7 CC(=O)C1=NCCC1 RT14173 [1,0,0,1,0,0|2,0,0]=4 224 B8R1.7 CC(=O)C1CCCC1 RT17591 [1,0,0,1,0,0|1,0,0]=3 225 B8R1.22 CC1CCCNCC1 RT15402 [1,0,0,1,0,0|1,0,1]=4 226 B8R1.22 O=C1CCCCCC1 LT4672 [1,0,0,1,0,0|1,0,0]=3 227 B8R1.22 O=C1CCCNCC1 XJ5502 [1,0,0,1,0,0|2,0,0]=4 228 B8R1.72 O=S1(=O)CCCCO1 HL0926 [1,0,0,1,0,0|2,0,0]=4 229 B8R1.3 CC1=CCC(=O)CC1 RT16462 [0,0,0,1,1,0|0,0,2]=4 230 B8R1.3 CC1CCC(=O)CC1 HL0070 [0,0,0,1,1,0|0,0,0]=2 231 B8R1.3 CC1CCC(N)CC1 LQ3073 [0,0,0,1,1,0|1,0,1]=4 232 B8R1.3 CC1CCC(N)CC1 YH66269 [0,0,0,1,1,0|1,0,1]=4 233 B8R1.3 CN1CCC(=O)CC1 RT15013 [0,0,0,1,1,0|1,0,0]=3 234 B8R1.3 C[C@H]1CC[C@@H](N)CC1 RT3963 [0,0,0,1,1,0|1,0,1]=4 235 B8R1.3 C[C@H]1CC[C@@H](O)CC1 JZ3188 [0,0,0,1,1,0|0,0,2]=4 236 B8R1.3 C[C@H]1CC[C@H](O)CC1 JZ3189 [0,0,0,1,1,0|0,0,2]=4 237 B8R1.3 O=C1CCC(=O)CC1 JZ4052 [0,0,0,1,1,0|1,0,1]=4 238 B8R1.3 O=C1CCC(O)CC1 LQ3627 [0,0,0,1,1,0|1,0,0]=3 239 B8R1.3 O=C1CC[C@@H](O)CN1 YH21770 [0,0,0,1,1,0|2,0,0]=4 240 B8R1.3 O=C1CC[C@@H](O)CN1 YH43352 [0,0,0,1,1,0|2,0,0]=4 241 B8R1.3 O=C1CC[C@H](O)CN1 YH48824 [0,0,0,1,1,0|2,0,0]=4 242 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 YH91894 [0,0,0,1,1,0|1,0,0]=3 243 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 YH65895 [0,0,0,1,1,0|2,0,0]=4 244 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 YH65914 [0,0,0,1,1,0|2,0,0]=4 245 B8R1.51 CC1(C)COC(=O)N1 LT5107 [0,0,0,1,1,0|1,0,0]=3 246 B8R1.51 CC1(C)COC(=O)O1 RT14540 [0,0,0,1,1,0|1,0,0]=3 247 B8R1.77 [C@H]1(C(N)=O)CC1(C)C YH17484 [0,0,0,1,1,0|1,0,0]=3 248 B10R1.54 CC(=O)O[C@H]1C=C[C@@H](O)C1 XJ5897 [0,0,0,1,0,1|1,0,1]=4 249 B10R1.54 CC(C)CC1CNC(=O)C1 RT14639 [0,0,0,1,0,1|1,0,0]=3 250 B10R1.54 CC(C)CC1OCC(C)O1 XJ4462 [0,0,0,1,0,1|0,0,2]=4 251 B10R1.113 C[C@@H]1CCCN(C(=O)[O-])C1 HL4844 [0,0,0,1,0,1|2,0,0]=4 252 B10R1.113 C[C@@H]1CCN[C@@H](C(=O)O)C1 XJ6310 [0,0,0,1,0,1|2,0,0]=4 253 B10R1.128 CC1(C)CNCC1C(=O)O YH50393 [0,0,0,1,0,1|2,0,0]=4 254 B10R1.13 CC(C)N1CCC(=O)CC1 XJ2879 [0,1,0,1,0,0|2,0,0]=4 255 B10R1.13 CC1CCC(C(=O)O)CC1 LT2843 [0,1,0,1,0,0|2,0,0]=4 256 B10R1.14 COC(=O)C1CCN(C)C1 XJ5154 [0,1,0,1,0,0|2,0,0]=4 257 B10R1.301 CC1CCCC(C)(C)C1=O JZ2012 [0,1,0,1,0,0|1,0,1]=4 258 B10R1.359 CC(=O)C1COC(C)(C)O1 RT14530 [0,1,0,1,0,0|2,0,0]=4 259 B10R1.329 CC1(C)CC(=O)CC(=O)C1 LT3491 [0,1,0,1,0,0|1,0,1]=4 260 B10R1.329 CC1(C)CC(=O)NC(=O)C1 HL0667 [0,1,0,1,0,0|1,0,1]=4 261 B10R1.329 CC1(O)CC(=O)OC(=O)C1 RT14483 [0,1,0,1,0,0|1,0,1]=4 262 B10R1.329 CC1CC(=O)CC(C)(C)C1 XJ1432 [0,1,0,1,0,0|1,0,0]=3 263 B10R2.178 O=C1CCC2CCC1C2 HL2848 [0,0,0,2,0,0|1,0,0]=3 264 B6R0.2 CC(=O)CC(C)=O LQ3994 [0,0,0,0,2,0|1,0,1]=4 265 B6R0.2 CC(=O)CC(C)=O XJ0505 [0,0,0,0,2,0|1,0,1]=4 266 B6R0.2 CC(=O)CC(C)C LQ0378 [0,0,0,0,2,0|0,0,0]=2 267 B6R0.2 CC(=O)OC(C)Br LQ5001 [0,0,0,0,2,0|1,0,0]=3 268 B6R0.2 CC(=O)OC(C)C LQ0385 [0,0,0,0,2,0|0,0,0]=2 269 B6R0.2 CC(Br)CC(=O)O JZ2085 [0,0,0,0,2,0|2,0,0]=4 270 B6R0.2 CC(C)CC(=O)O XJ0871 [0,0,0,0,2,0|1,0,0]=3 271 B6R0.2 CC(C)CC(C)C LQ0376 [0,0,0,0,2,0|1,0,1]=4 272 B6R0.2 CC(C)CC(C)N XJ6268 [0,0,0,0,2,0|1,0,1]=4 273 B6R0.2 CC(C)CC(N)=O XJ0939 [0,0,0,0,2,0|1,0,0]=3 274 B6R0.2 CC(C)C[C@H](C)O JZ4964 [0,0,0,0,2,0|0,0,2]=4 275 B6R0.2 CC(C)OC(=O)Cl LQ0387 [0,0,0,0,2,0|1,0,0]=3 276 B6R0.2 CC(C)OC(=S)[S-] XJ0566 [0,0,0,0,2,0|1,1,0]=4 277 B6R0.2 CC(C)O[N+](=O)[O-] JZ4698 [0,0,0,0,2,0|2,0,0]=4 278 B6R0.2 CC(N)CC(=O)O JZ1398 [0,0,0,0,2,0|2,0,0]=4 279 B6R0.2 CC(O)CC(=O)O LL0657 [0,0,0,0,2,0|2,0,0]=4 280 B6R0.2 CC(O)CC(=O)[O-] LQ0611 [0,0,0,0,2,0|2,0,0]=4 281 B6R0.2 CC(O)CC(=O)[O-] YH53256 [0,0,0,0,2,0|2,0,0]=4 282 B6R0.2 CN(C)CC(=O)Cl CJ3040 [0,0,0,0,2,0|2,0,0]=4 283 B6R0.2 C[C@@H](N)CC(=O)O HL2631 [0,0,0,0,2,0|2,0,0]=4 284 B6R0.2 C[C@H](N)CC(=O)O HL2630 [0,0,0,0,2,0|2,0,0]=4 285 B6R0.2 C[C@H](N)CC(=O)O LQ5428 [0,0,0,0,2,0|2,0,0]=4 286 B6R0.2 C[C@H](N)CC(=O)O YH57972 [0,0,0,0,2,0|2,0,0]=4 287 B6R0.2 C[C@H](N)CC(=O)O YH66623 [0,0,0,0,2,0|2,0,0]=4 288 B6R0.2 C[S+](C)CC(=O)[O-] LQ2769 [0,0,0,0,2,0|2,0,0]=4 289 B10R0.97 CC(C)CCCCCC(=O)O JZ5722 [0,0,0,0,0,2|2,0,0]=4 290 B10R0.97 CC(C)CCOCCC(C)C HL1954 [0,0,0,0,0,2|1,0,1]=4