0 B8R0.8 C=C(C)C(=O)NCCO CJ3235 [0,0,0,0,0,0|3,0,0]=3 1 B8R0.8 C=C(C)C(=O)OCCO XJ1395 [0,0,0,0,0,0|3,0,0]=3 2 B8R0.8 C=CCOC(=O)C(=C)C LL0217 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.8 CCCCC(C)C(=O)Cl XJ5458 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.8 CCCCC(C)C(C)=O LQ2154 [0,0,0,0,0,0|1,0,1]=2 5 B8R0.8 CCCCC(O)C(C)C LQ4085 [0,0,0,0,0,0|1,0,3]=4 6 B8R0.8 CCCC[C@H](N)C(=O)O RT3896 [0,0,0,0,0,0|2,0,1]=3 7 B8R0.8 CCCOC(=O)[C@H](C)O LQ5281 [0,0,0,0,0,0|1,0,2]=3 8 B8R0.8 CSCCC(N)C(=O)O JZ0536 [0,0,0,0,0,0|3,0,1]=4 9 B8R0.8 CSCCC(O)C(=O)[O-] LX2742 [0,0,0,0,0,0|2,0,2]=4 10 B8R0.8 CSCC[C@H](N)C(N)=O YH02073 [0,0,0,0,0,0|3,0,1]=4 11 B8R0.8 C[34S]CC[C@H](N)C(=O)O RT5594 [0,0,0,0,0,0|3,0,1]=4 12 B8R0.8 C[Se]CC[C@H](N)C(=O)O HL0850 [0,0,0,0,0,0|3,0,1]=4 13 B8R0.8 C[Se]CC[C@H](N)C(=O)O LT7572 [0,0,0,0,0,0|3,0,1]=4 14 B8R0.8 NCCC[C@H](N)C(=O)O HL1078 [0,0,0,0,0,0|3,0,1]=4 15 B8R0.8 NCCC[C@H](N)C(=O)O JZ0525 [0,0,0,0,0,0|3,0,1]=4 16 B8R0.8 NCCC[C@H](N)C(=O)O YH10461 [0,0,0,0,0,0|3,0,1]=4 17 B8R0.8 [C@@H](N)(CCCN)C(=O)O JZ1434 [0,0,0,0,0,0|3,0,1]=4 18 B8R0.8 [C@@H](N)(CCSC)C(=O)O JZ0524 [0,0,0,0,0,0|3,0,1]=4 19 B7R0.3 C=CC(=O)OCCO LQ1461 [1,0,0,0,0,0|2,0,1]=4 20 B7R0.3 CCCCC(=O)CC XJ0362 [1,0,0,0,0,0|0,0,1]=2 21 B7R0.3 CCCCC(=O)NC HL3084 [1,0,0,0,0,0|1,0,0]=2 22 B7R0.3 CCCCC(=O)NN LQ4942 [1,0,0,0,0,0|2,0,0]=3 23 B7R0.3 CCCCC(C)CC HL0067 [1,0,0,0,0,0|1,0,2]=4 24 B7R0.3 CCCC\C(N)=N\O YH13028 [1,0,0,0,0,0|2,0,1]=4 25 B7R0.3 CCCOC(=O)CCl HL2914 [1,0,0,0,0,0|2,0,1]=4 26 B7R0.3 CCCOC(=O)CN LQ3564 [1,0,0,0,0,0|2,0,1]=4 27 B7R0.3 CCOCC(=O)OC RT17745 [1,0,0,0,0,0|2,0,0]=3 28 B7R0.3 COC(=O)CCC=O YH33690 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.3 COC(=O)CCCCl LT5164 [1,0,0,0,0,0|2,0,0]=3 30 B7R0.3 COC(=O)CCCO RT0271 [1,0,0,0,0,0|2,0,0]=3 31 B7R0.3 COC(=O)CCSC LQ3661 [1,0,0,0,0,0|2,0,0]=3 32 B7R0.3 COCCC(=O)OC LQ2522 [1,0,0,0,0,0|2,0,0]=3 33 B7R0.4 CC(=O)SCCCBr RT1374 [1,0,0,0,0,0|2,0,0]=3 34 B7R0.4 CCCCCC(C)C HL0115 [1,0,0,0,0,0|1,0,2]=4 35 B7R0.4 CCCCCC(C)N JZ2985 [1,0,0,0,0,0|1,0,2]=4 36 B7R0.4 CCCCCC(C)N XJ0515 [1,0,0,0,0,0|1,0,2]=4 37 B7R0.4 CCCCCC(N)=O HL0268 [1,0,0,0,0,0|1,0,1]=3 38 B7R0.4 CCCCC[C@H](C)O JZ2825 [1,0,0,0,0,0|0,0,3]=4 39 B7R0.4 CCCCNC(N)=S LQ1811 [1,0,0,0,0,0|2,1,0]=4 40 B7R0.4 CCCCOC(=S)[S-] XJ1408 [1,0,0,0,0,0|2,1,0]=4 41 B7R0.4 CCCCOC(C)=O HL1469 [1,0,0,0,0,0|1,0,0]=2 42 B7R0.4 CCCCOC(N)=O LT4346 [1,0,0,0,0,0|2,0,0]=3 43 B7R0.4 CCCCO[N+](=O)[O-] RT17647 [1,0,0,0,0,0|3,0,0]=4 44 B7R0.4 CCCCSC(C)=O LQ1519 [1,0,0,0,0,0|1,0,0]=2 45 B7R0.4 CCC\C=C\C(=O)O JZ4447 [1,0,0,0,0,0|1,0,1]=3 46 B7R0.4 CCC\C=C\C(C)=O XJ1585 [1,0,0,0,0,0|0,0,1]=2 47 B7R0.4 CNCCCC(=O)O RT0333 [1,0,0,0,0,0|2,0,1]=4 48 B7R0.4 COCCOC(=O)Cl HL0272 [1,0,0,0,0,0|3,0,0]=4 49 B7R0.4 COC\C=C\C(=O)O RT17693 [1,0,0,0,0,0|2,0,1]=4 50 B7R0.4 CS(=O)CCCCN RT4961 [1,0,0,0,0,0|2,0,1]=4 51 B7R0.4 C[S@@](=O)CCCCN RT4965 [1,0,0,0,0,0|2,0,1]=4 52 B7R0.4 O=C(Cl)CCCCBr HL2752 [1,0,0,0,0,0|2,0,1]=4 53 B7R0.4 O=C(Cl)CCCCCl LT3549 [1,0,0,0,0,0|2,0,1]=4 54 B7R0.4 O=C(Cl)OCCCCl LT2580 [1,0,0,0,0,0|3,0,0]=4 55 B7R0.4 O=C(O)CCCCBr JZ0370 [1,0,0,0,0,0|2,0,1]=4 56 B7R0.4 O=C([O-])CCCCBr LT3131 [1,0,0,0,0,0|2,0,1]=4 57 B7R0.4 O=C([O-])CCCCO YH65793 [1,0,0,0,0,0|2,0,1]=4 58 B7R0.5 C=C(C)C(=O)NCO LQ1492 [1,0,0,0,0,0|3,0,0]=4 59 B7R0.5 C=C(C)C(=O)OCC LL0282 [1,0,0,0,0,0|2,0,0]=3 60 B7R0.5 C=C(F)C(=O)OCC YH17578 [1,0,0,0,0,0|2,0,1]=4 61 B7R0.5 CCCC(=O)C(C)=O LQ2544 [1,0,0,0,0,0|0,0,0]=1 62 B7R0.5 CCCC(=O)N(C)C XJ1325 [1,0,0,0,0,0|2,0,0]=3 63 B7R0.5 CCCC(C)C(=O)Cl LQ2858 [1,0,0,0,0,0|2,0,1]=4 64 B7R0.5 CCCC(C)C(=O)O LL0280 [1,0,0,0,0,0|2,0,1]=4 65 B7R0.5 CCC[C@H](C)C(=O)O RT0270 [1,0,0,0,0,0|2,0,1]=4 66 B7R0.5 CCC[C@H](N)C(=O)O LT7574 [1,0,0,0,0,0|2,0,1]=4 67 B7R0.5 CCOC(=O)C(C)=O RT1264 [1,0,0,0,0,0|1,0,0]=2 68 B7R0.5 CCOC(=O)C(C)Br LL0957 [1,0,0,0,0,0|2,0,1]=4 69 B7R0.5 CCOC(=O)C(C)F LQ5515 [1,0,0,0,0,0|2,0,1]=4 70 B7R0.5 CCOC(=O)C(C)O HL0374 [1,0,0,0,0,0|1,0,2]=4 71 B7R0.5 CCOC(=O)C(N)=S XJ4294 [1,0,0,0,0,0|2,1,0]=4 72 B7R0.5 CCOC(=O)[C@@H](C)N JZ1462 [1,0,0,0,0,0|2,0,1]=4 73 B7R0.5 CCOC(=O)[C@H](C)O RT17626 [1,0,0,0,0,0|1,0,2]=4 74 B7R0.5 CC\C=C(/C)C(=O)O LT5109 [1,0,0,0,0,0|2,0,1]=4 75 B7R0.5 C[Se]CC(=O)C(=O)O RT1095 [1,0,0,0,0,0|2,0,0]=3 76 B9R0.7 C=C(C)C(=O)OCC(C)C LL0289 [0,1,0,0,0,0|2,0,0]=3 77 B9R0.7 C=C(C)C(=O)OCC(C)O LT6560 [0,1,0,0,0,0|2,0,0]=3 78 B9R0.7 CC(C)CC[C@@H](N)C(=O)O HL3488 [0,1,0,0,0,0|2,0,1]=4 79 B9R0.7 CC(C)CC[C@H](N)C(=O)O RT5348 [0,1,0,0,0,0|2,0,1]=4 80 B9R0.7 CC(C)COC(=O)C(C)C LL0288 [0,1,0,0,0,0|2,0,1]=4 81 B9R0.7 NC(=O)CCC(=O)C(=O)[O-] RT0635 [0,1,0,0,0,0|2,0,1]=4 82 B9R0.7 O=C(O)CCC(=O)C(=O)O LT6568 [0,1,0,0,0,0|2,0,1]=4 83 B9R0.7 O=C([O-])CCC(=O)C(=O)[O-] LT6569 [0,1,0,0,0,0|2,0,1]=4 84 B9R0.7 O=C([O-])CCC(=O)C(=O)[O-] LT6571 [0,1,0,0,0,0|2,0,1]=4 85 B9R0.7 O=C([O-])CCC(=O)C(=O)[O-] YH15422 [0,1,0,0,0,0|2,0,1]=4 86 B9R0.7 [C@H](C)(O)C(=O)OCC(C)C HL4157 [0,1,0,0,0,0|1,0,2]=4 87 B9R0.8 CCO\C=C(/C)C(=O)CC RT6124 [0,1,0,0,0,0|2,0,1]=4 88 B9R0.8 COC(=O)C(Br)CCCBr YH04323 [0,1,0,0,0,0|2,0,1]=4 89 B9R0.8 COC(=O)[C@H](N)CCCN JZ0421 [0,1,0,0,0,0|2,0,1]=4 90 B9R0.13 CCCCC(CC)C(=O)Cl JZ0074 [0,1,0,0,0,0|2,0,1]=4 91 B9R0.13 CCCCC(CC)C(=O)[O-] HL3893 [0,1,0,0,0,0|2,0,1]=4 92 B9R0.13 CCCCC(CC)C(=O)[O-] JZ5084 [0,1,0,0,0,0|2,0,1]=4 93 B9R0.13 CCCCC(CC)C(=O)[O-] JZ5533 [0,1,0,0,0,0|2,0,1]=4 94 B9R0.13 CCCCC(CC)C(=O)[O-] LL1173 [0,1,0,0,0,0|2,0,1]=4 95 B9R0.13 CCCCC(CC)C(=O)[O-] LL1779 [0,1,0,0,0,0|2,0,1]=4 96 B9R0.13 CCCCC(CC)C(=O)[O-] LQ2458 [0,1,0,0,0,0|2,0,1]=4 97 B9R0.13 CCCCC(CC)C(=O)[O-] LQ3253 [0,1,0,0,0,0|2,0,1]=4 98 B9R0.13 CCCCC(CC)C(=O)[O-] LQ3864 [0,1,0,0,0,0|2,0,1]=4 99 B9R0.13 CCCCC(CC)C(=O)[O-] XJ2089 [0,1,0,0,0,0|2,0,1]=4 100 B9R0.47 C=C(C)C(=O)OCCCC LL0291 [0,1,0,0,0,0|1,0,0]=2 101 B9R0.47 CCCCCC(=O)N(C)C HL3038 [0,1,0,0,0,0|2,0,0]=3 102 B9R0.47 CCCCOC(=O)C(C)=O LT5784 [0,1,0,0,0,0|0,0,0]=1 103 B9R0.47 CCCCOC(=O)C(C)C LL0290 [0,1,0,0,0,0|1,0,1]=3 104 B9R0.47 CCSCC[C@H](N)C(=O)O RT5770 [0,1,0,0,0,0|2,0,1]=4 105 B9R0.47 NCCCCC(N)C(=O)O JZ1418 [0,1,0,0,0,0|2,0,1]=4 106 B9R0.47 NCCCCC(N)C(=O)O JZ1419 [0,1,0,0,0,0|2,0,1]=4 107 B9R0.47 NCCCC[C@@H](N)C(=O)O JZ1430 [0,1,0,0,0,0|2,0,1]=4 108 B9R0.47 NCCCC[C@H](N)C(=O)O JZ0474 [0,1,0,0,0,0|2,0,1]=4 109 B9R0.47 NCCCC[C@H](N)C(=O)O JZ1624 [0,1,0,0,0,0|2,0,1]=4 110 B9R0.47 NCCCC[C@H](N)C(=O)O RT5744 [0,1,0,0,0,0|2,0,1]=4 111 B9R0.47 N[C@@H](CCCCO)C(=O)O RT5052 [0,1,0,0,0,0|2,0,1]=4 112 B9R1.5 NC1CCCCNC1=O YH41189 [0,0,0,1,0,0|2,0,1]=4 113 B9R1.5 N[C@H]1CCCCNC1=O JZ0849 [0,0,0,1,0,0|2,0,1]=4 114 B9R1.5 O=C1CCCCCN1Br XJ2178 [0,0,0,1,0,0|2,0,0]=3 115 B9R1.6 CC(=O)C1=CCCCC1 JZ4276 [0,0,0,1,0,0|1,0,0]=2 116 B9R1.6 CC(=O)C1=NCCCC1 RT15379 [0,0,0,1,0,0|1,0,0]=2 117 B9R1.6 CC(=O)C1CCCCN1 YH98487 [0,0,0,1,0,0|1,0,1]=3 118 B9R1.6 CC(=O)C1CCOCC1 YH65687 [0,0,0,1,0,0|2,0,1]=4 119 B9R1.6 CC(=O)N1CCCCC1 LQ3683 [0,0,0,1,0,0|2,0,0]=3 120 B9R1.6 O=C(Cl)C1CCCCC1 XJ2272 [0,0,0,1,0,0|2,0,1]=4 121 B9R1.6 O=C(O)C1=CCCCC1 JZ4029 [0,0,0,1,0,0|2,0,0]=3 122 B9R1.6 O=C(O)C1=CCCNC1 RT4412 [0,0,0,1,0,0|3,0,0]=4 123 B9R1.6 O=C(O)C1=CCNCC1 LT3860 [0,0,0,1,0,0|3,0,0]=4 124 B9R1.6 O=C(O)C1=CCNCC1 RT4561 [0,0,0,1,0,0|3,0,0]=4 125 B9R1.6 O=C(O)C1CCCCN1 LT0384 [0,0,0,1,0,0|2,0,1]=4 126 B9R1.6 O=C(O)N1CCCCC1 RT9921 [0,0,0,1,0,0|3,0,0]=4 127 B9R1.6 O=C(O)[C@H]1CCCCN1 JZ0473 [0,0,0,1,0,0|2,0,1]=4 128 B9R1.6 O=C(O)[C@H]1CCCCN1 LX2188 [0,0,0,1,0,0|2,0,1]=4 129 B9R1.35 CC1CC[C@@H](C(=O)O)N1 YH93916 [0,0,0,1,0,0|2,0,1]=4 130 B9R1.69 CC1CN(C)CCC1=O YH02404 [0,0,0,1,0,0|2,0,1]=4 131 B9R1.110 N[C@@H](C(=O)O)C1CCC1 LX3279 [0,0,0,1,0,0|2,0,1]=4 132 B9R1.110 N[C@H](C(=O)O)C1CCC1 YH03378 [0,0,0,1,0,0|2,0,1]=4 133 B9R1.112 N[C@H](CC1CC1)C(=O)O YH28806 [0,0,0,1,0,0|2,0,1]=4 134 B9R1.163 O=C(O)C1(O)CCCC1 JZ5118 [0,0,0,1,0,0|1,0,2]=4 135 B9R0.4 C=CCOC(=O)CC(C)=O XJ1579 [0,0,0,0,0,1|1,0,2]=4 136 B9R0.4 CC(C)OC(=O)CCCBr YH15046 [0,0,0,0,0,1|2,0,1]=4 137 B6R0.1 C(Cl)CC(=O)OC LT5092 [2,0,0,0,0,0|2,0,0]=4 138 B6R0.1 C=CC(=O)OCC XJ0563 [2,0,0,0,0,0|1,0,1]=4 139 B6R0.1 CCC(=O)CSC JZ4808 [2,0,0,0,0,0|1,0,1]=4 140 B6R0.1 CCCC(=O)CC HL0062 [2,0,0,0,0,0|0,0,1]=3 141 B6R0.1 CCCC(=O)NN JZ2316 [2,0,0,0,0,0|2,0,0]=4 142 B6R0.1 CCCC(=O)OC XJ1144 [2,0,0,0,0,0|1,0,0]=3 143 B6R0.1 CCCC(=O)SC XJ2150 [2,0,0,0,0,0|1,0,0]=3 144 B6R0.1 CCOC(=O)C=O LQ1498 [2,0,0,0,0,0|1,0,0]=3 145 B6R0.1 CCSC(=O)CC LT5718 [2,0,0,0,0,0|1,0,1]=4 146 B6R0.1 CC\C=C(/C)C=O XJ1141 [2,0,0,0,0,0|1,0,1]=4 147 B6R0.1 CNCC(=O)OC JZ4592 [2,0,0,0,0,0|2,0,0]=4 148 B6R0.1 COC(=O)CCN LT4189 [2,0,0,0,0,0|2,0,0]=4 149 B6R0.1 COC(=O)CCS JZ2165 [2,0,0,0,0,0|2,0,0]=4 150 B6R0.4 C=CCCC(C)=O LQ0437 [2,0,0,0,0,0|0,0,2]=4 151 B6R0.4 CC(=O)NCCCl JZ3076 [2,0,0,0,0,0|2,0,0]=4 152 B6R0.4 CC(=O)NCCN HL0561 [2,0,0,0,0,0|2,0,0]=4 153 B6R0.4 CC(=O)OCCBr LQ1516 [2,0,0,0,0,0|2,0,0]=4 154 B6R0.4 CC(C)=CCCBr HL2172 [2,0,0,0,0,0|2,0,0]=4 155 B6R0.4 CCCCC(=O)[O-] RT0478 [2,0,0,0,0,0|0,0,1]=3 156 B6R0.4 CCCCC(C)Br HL2516 [2,0,0,0,0,0|1,0,1]=4 157 B6R0.4 CCCCC(N)=O HL0242 [2,0,0,0,0,0|1,0,0]=3 158 B6R0.4 CCCC[Sn](=O)S LQ4511 [2,0,0,0,0,0|1,1,0]=4 159 B6R0.4 CCCNC(C)=O JZ2722 [2,0,0,0,0,0|1,0,0]=3 160 B6R0.4 CCCNC(N)=O HL0246 [2,0,0,0,0,0|2,0,0]=4 161 B6R0.4 CCCOC(N)=O RT1458 [2,0,0,0,0,0|2,0,0]=4 162 B6R0.4 CCOCC(=O)Cl JZ4848 [2,0,0,0,0,0|2,0,0]=4 163 B6R0.4 COCCC(=O)O LQ2190 [2,0,0,0,0,0|1,0,1]=4 164 B6R0.4 CO\C=C\C(C)=O LQ2718 [2,0,0,0,0,0|1,0,1]=4 165 B6R0.4 CSCCC(=O)Cl XJ3231 [2,0,0,0,0,0|2,0,0]=4 166 B6R0.4 CSCCC(C)=O LT2666 [2,0,0,0,0,0|1,0,0]=3 167 B6R0.4 NCCCC(=O)O CJ3094 [2,0,0,0,0,0|1,0,1]=4 168 B6R0.4 NCCCC(N)=O RT0435 [2,0,0,0,0,0|2,0,0]=4 169 B6R0.4 O=C(Cl)CCCBr LQ1513 [2,0,0,0,0,0|2,0,0]=4 170 B6R0.4 O=C(O)CCCBr JZ2086 [2,0,0,0,0,0|1,0,1]=4 171 B6R0.4 O=C(O)CCCS RT19786 [2,0,0,0,0,0|1,0,1]=4 172 B6R0.6 CCCCCNC LT5645 [2,0,0,0,0,0|1,0,1]=4 173 B6R0.6 CCCCOCC HL0289 [2,0,0,0,0,0|1,0,1]=4 174 B6R0.6 CCCCSCC JZ4067 [2,0,0,0,0,0|1,0,1]=4 175 B6R0.6 CCC\C=C\C=O LQ3146 [2,0,0,0,0,0|0,0,1]=3 176 B6R0.6 CC\C=C\CCC HL0123 [2,0,0,0,0,0|0,0,2]=4 177 B6R0.6 C\C=C\CCCO XJ3000 [2,0,0,0,0,0|1,0,0]=3 178 B6R0.6 C\C=C\SCCC YH55419 [2,0,0,0,0,0|1,0,0]=3 179 B6R0.6 O=CCCCCO YH66094 [2,0,0,0,0,0|1,0,1]=4 180 B6R0.3 C=C(C)C(=O)OC XJ0124 [2,0,0,0,0,0|2,0,0]=4 181 B6R0.3 CC(=O)C(=O)CBr YH65550 [2,0,0,0,0,0|1,0,0]=3 182 B6R0.3 CCC(=O)N(C)C XJ1308 [2,0,0,0,0,0|2,0,0]=4 183 B6R0.3 CCC(=O)N(C)C XJ1318 [2,0,0,0,0,0|2,0,0]=4 184 B6R0.3 CCC(S)C(C)=O LL1144 [2,0,0,0,0,0|0,1,1]=4 185 B6R0.3 COC(=O)C(C)=O LT7441 [2,0,0,0,0,0|1,0,0]=3 186 B6R0.3 C\C=C(/C)C(C)=O LL0992 [2,0,0,0,0,0|1,0,1]=4 187 B6R0.3 O=C(O)C(=O)CBr LT6742 [2,0,0,0,0,0|2,0,0]=4 188 B8R0.1 CCCOC(=O)CCC XJ0331 [1,1,0,0,0,0|1,0,1]=4 189 B8R0.1 CCCOC(=O)OCCl RT17526 [1,1,0,0,0,0|2,0,0]=4 190 B8R0.1 CCOC(=O)CCCBr LT5161 [1,1,0,0,0,0|1,0,1]=4 191 B8R0.1 CCOC(=O)CCCN JZ3049 [1,1,0,0,0,0|1,0,1]=4 192 B8R0.1 CCOC(=O)CCSC LT5684 [1,1,0,0,0,0|1,0,1]=4 193 B8R0.1 CCOCC(=O)OCC LQ1457 [1,1,0,0,0,0|1,0,1]=4 194 B8R0.3 CCCC(Br)C(=O)OC JZ5299 [1,1,0,0,0,0|1,0,0]=3 195 B8R0.3 CCC[C@H](N)C(=O)OC YH07449 [1,1,0,0,0,0|1,0,0]=3 196 B8R0.3 COC(=O)C(Br)CCBr LL1241 [1,1,0,0,0,0|2,0,0]=4 197 B8R0.3 COC(=O)[C@H](N)CCCl YH46879 [1,1,0,0,0,0|2,0,0]=4 198 B8R0.6 C=CC(=O)OCCCC XJ0575 [1,1,0,0,0,0|0,0,1]=3 199 B8R0.6 CCCCCC(=O)CC HL1322 [1,1,0,0,0,0|0,0,1]=3 200 B8R0.6 CCCCCC(=O)OC HL1324 [1,1,0,0,0,0|1,0,0]=3 201 B8R0.6 CCCCOC(=O)C=O LQ3022 [1,1,0,0,0,0|0,0,0]=2 202 B8R0.6 CCCCOC(=O)CCl HL0074 [1,1,0,0,0,0|1,0,1]=4 203 B8R0.6 CCCCOC(=O)CO LT4349 [1,1,0,0,0,0|0,0,2]=4 204 B8R0.6 CCC\C=C\C(=O)OC JZ1988 [1,1,0,0,0,0|1,0,1]=4 205 B8R0.6 COC(=O)CCCC=O YH09376 [1,1,0,0,0,0|1,0,1]=4 206 B8R0.6 COC(=O)CCCCCl XJ4043 [1,1,0,0,0,0|1,0,0]=3 207 B8R0.6 COC(=O)CCCCO RT18638 [1,1,0,0,0,0|1,0,0]=3 208 B8R0.6 COC(=O)COCCCl XJ6460 [1,1,0,0,0,0|2,0,0]=4 209 B8R0.9 C=CC(=O)OCC(C)C HL1320 [1,1,0,0,0,0|1,0,1]=4 210 B8R0.9 C=CC(=O)OCC(C)O LT1991 [1,1,0,0,0,0|1,0,1]=4 211 B8R0.9 C=CC(=O)OCC(C)O XJ4840 [1,1,0,0,0,0|1,0,1]=4 212 B8R0.9 CCC(=O)OCC(C)C XJ0923 [1,1,0,0,0,0|1,0,1]=4 213 B8R0.11 CCCCC(C=O)CC XJ0494 [1,1,0,0,0,0|0,0,2]=4 214 B8R0.11 CCCCN(CC)N=O RT0217 [1,1,0,0,0,0|1,0,1]=4 215 B8R0.19 CCC(=O)CC(=O)OC LT5551 [1,1,0,0,0,0|1,0,1]=4 216 B8R0.19 COC(=O)C[C@H](O)CBr YH93213 [1,1,0,0,0,0|2,0,0]=4 217 B8R0.5 CCCC(O)CC(=O)O RT0532 [1,1,0,0,0,0|1,0,1]=4 218 B8R0.5 CCO\C([O-])=C\C(C)=O XJ6459 [1,1,0,0,0,0|1,0,1]=4 219 B8R0.5 COCC(C)OC(C)=O LQ0411 [1,1,0,0,0,0|2,0,0]=4 220 B8R0.7 CC(=O)OCCCCCl LT2385 [1,1,0,0,0,0|1,0,0]=3 221 B8R0.7 CC(=O)OCCCCI LQ5055 [1,1,0,0,0,0|1,0,0]=3 222 B8R0.7 CC(=O)OCCOCBr YH19992 [1,1,0,0,0,0|2,0,0]=4 223 B8R0.7 CC(=O)SCCCC#N RT17765 [1,1,0,0,0,0|1,0,1]=4 224 B8R0.7 CCCCCCC(=O)O XJ0376 [1,1,0,0,0,0|1,0,1]=4 225 B8R0.7 CCCCCOC(C)=O HL0284 [1,1,0,0,0,0|0,0,1]=3 226 B8R0.7 CCCCOCC(=O)O HL2310 [1,1,0,0,0,0|1,0,1]=4 227 B8R0.7 CCCC\C=C\C(C)=O XJ4452 [1,1,0,0,0,0|0,0,0]=2 228 B8R0.7 CCOCCOC(=O)Cl JZ0072 [1,1,0,0,0,0|2,0,0]=4 229 B8R0.7 CSCCCOC(C)=O LQ3932 [1,1,0,0,0,0|1,0,0]=3 230 B8R0.7 NCCCCCC(=O)O JZ1196 [1,1,0,0,0,0|1,0,1]=4 231 B8R0.7 NCCCCCC(=O)O RT0574 [1,1,0,0,0,0|1,0,1]=4 232 B8R0.7 NCCC\C=C\C(=O)O RT5552 [1,1,0,0,0,0|1,0,1]=4 233 B8R0.7 O=C(Cl)CCCCCCl XJ4464 [1,1,0,0,0,0|1,0,1]=4 234 B8R0.7 O=C(O)CCCCCBr HL2738 [1,1,0,0,0,0|1,0,1]=4 235 B8R0.7 O=C(O)CCCCCCl LT3590 [1,1,0,0,0,0|1,0,1]=4 236 B8R0.7 O=C(O)CCCCCO JZ4450 [1,1,0,0,0,0|1,0,1]=4 237 B8R0.21 CCCCOS(C)(=O)=O YH65079 [1,1,0,0,0,0|2,0,0]=4 238 B8R0.21 CCCCSS(C)(=O)=O RT17820 [1,1,0,0,0,0|2,0,0]=4 239 B8R0.28 C=C(C)CCOC(C)=O LQ2782 [1,1,0,0,0,0|1,0,1]=4 240 B8R0.28 CC(=O)NCCC(C)C YH32371 [1,1,0,0,0,0|1,0,0]=3 241 B8R0.28 CC(C)CCCC(=O)O HL0282 [1,1,0,0,0,0|1,0,1]=4 242 B8R0.28 CC(C)C\C=C\C(=O)O RT1138 [1,1,0,0,0,0|1,0,1]=4 243 B8R0.28 CC(O)CCCC(=O)O RT0557 [1,1,0,0,0,0|1,0,1]=4 244 B8R0.2 CCC(C)C(=O)C(=O)[O-] RT1093 [1,1,0,0,0,0|1,0,0]=3 245 B8R0.14 CCCC(=O)C(C)(C)C HL2939 [1,1,0,0,0,0|1,0,1]=4 246 B8R0.15 CCCN(N=O)C(N)=O RT0331 [1,1,0,0,0,0|2,0,0]=4 247 B8R0.23 C=C(CC(C)C)C(C)=O RT0525 [1,1,0,0,0,0|1,0,0]=3 248 B8R0.23 CC(C)CC(=O)C(=O)[O-] XJ6659 [1,1,0,0,0,0|1,0,0]=3 249 B8R0.23 CC(C)CC(=O)C(=O)[O-] YH04847 [1,1,0,0,0,0|1,0,0]=3 250 B10R0.6 CCCCCC(=O)OC(C)C HL2217 [0,1,0,0,0,1|1,0,1]=4 251 B10R0.6 CCCCOC(=O)CC(C)C LQ0430 [0,1,0,0,0,1|1,0,1]=4 252 B10R0.18 COCCC(=O)CC(=O)OC CJ3151 [0,1,0,0,0,1|1,0,0]=3 253 B10R0.32 CCOC(=O)C(=O)CC(C)=O LQ1173 [0,1,0,0,0,1|1,0,1]=4 254 B10R0.96 CC(=O)CC(=O)CCC(=O)O RT1066 [0,1,0,0,0,1|1,0,1]=4 255 B10R0.96 CC(=O)CC(=O)OCC(C)C XJ3346 [0,1,0,0,0,1|1,0,0]=3 256 B10R0.82 C=C(C)C(=O)OCC(O)CO YH08857 [0,2,0,0,0,0|2,0,0]=4 257 B10R0.19 CCCCC(Br)C(=O)OCC LQ1177 [0,2,0,0,0,0|1,0,1]=4 258 B10R0.83 COC(=O)C(N)CCCCN JZ1661 [0,2,0,0,0,0|1,0,1]=4 259 B10R0.83 COC(=O)[C@H](N)CCCCN YH66174 [0,2,0,0,0,0|1,0,1]=4 260 B10R0.17 CCCCC(C(C)=O)C(=O)[O-] HL0104 [0,2,0,0,0,0|0,0,1]=3 261 B10R0.17 CCCCC(C(C)=O)C(C)=O JZ4609 [0,2,0,0,0,0|0,0,1]=3 262 B10R0.17 CCOC=C(C(C)=O)C(C)=O LQ4817 [0,2,0,0,0,0|1,0,1]=4 263 B10R0.98 CC(C)CCOC(=O)C(C)C HL2078 [0,2,0,0,0,0|1,0,1]=4 264 B8R1.2 O=CC1=CCCCC1 JZ4462 [1,0,0,1,0,0|1,0,0]=3 265 B8R1.2 O=CC1CCCCC1 JZ0373 [1,0,0,1,0,0|1,0,1]=4 266 B8R1.2 O=CC1CCCCC1 LT7159 [1,0,0,1,0,0|1,0,1]=4 267 B8R1.2 O=CN1CCCCC1 JZ2045 [1,0,0,1,0,0|2,0,0]=4 268 B8R1.3 CC1CCC(=O)CC1 HL0070 [1,0,0,1,0,0|0,0,1]=3 269 B8R1.3 CN1CCC(=O)CC1 RT15013 [1,0,0,1,0,0|1,0,1]=4 270 B8R1.3 O=C1CCC(O)CC1 LQ3627 [1,0,0,1,0,0|1,0,1]=4 271 B8R1.3 O=C1CC[C@@H](O)CN1 YH21770 [1,0,0,1,0,0|2,0,0]=4 272 B8R1.3 O=C1CC[C@@H](O)CN1 YH43352 [1,0,0,1,0,0|2,0,0]=4 273 B8R1.3 O=C1CC[C@H](O)CN1 YH48824 [1,0,0,1,0,0|2,0,0]=4 274 B8R1.5 CC1CCCCC1=O XJ1009 [1,0,0,1,0,0|0,0,1]=3 275 B8R1.5 CC1CNCCC1=O YH08115 [1,0,0,1,0,0|1,0,1]=4 276 B8R1.5 NN1CCCCC1=O YH54161 [1,0,0,1,0,0|2,0,0]=4 277 B8R1.5 O=C1CCCC=C1I YH66603 [1,0,0,1,0,0|1,0,1]=4 278 B8R1.5 O=C1CCCCC1=O XJ1356 [1,0,0,1,0,0|0,0,0]=2 279 B8R1.5 O=C1CCCCC1Br LX2735 [1,0,0,1,0,0|1,0,1]=4 280 B8R1.5 O=C1CCCCC1Cl LQ1480 [1,0,0,1,0,0|1,0,1]=4 281 B8R1.5 O=C1CCCCC1F LQ1350 [1,0,0,1,0,0|1,0,1]=4 282 B8R1.22 O=C1CCCCCC1 LT4672 [1,0,0,1,0,0|0,0,1]=3 283 B8R1.22 O=C1CCCNCC1 XJ5502 [1,0,0,1,0,0|1,0,1]=4 284 B8R1.38 COC(=O)C1CNC1 YH20266 [1,0,0,1,0,0|2,0,0]=4 285 B8R1.50 CC1=C(O)C(=O)CC1 XJ0127 [1,0,0,1,0,0|0,0,2]=4 286 B8R1.50 CN1C(=O)CCC1O RT14805 [1,0,0,1,0,0|2,0,0]=4 287 B8R1.83 COC(=O)C1OC1C RT15027 [1,0,0,1,0,0|2,0,0]=4 288 B8R1.4 CC1CCCC(=O)O1 LQ1481 [1,0,0,1,0,0|1,0,1]=4 289 B8R1.4 CC1CCNC(=N)C1 LT0381 [1,0,0,1,0,0|2,0,0]=4 290 B8R1.4 C[C@H]1CC(=O)CCO1 YH66361 [1,0,0,1,0,0|1,0,1]=4 291 B8R1.4 NC1CCCC(=O)C1 YH35862 [1,0,0,1,0,0|1,0,1]=4 292 B8R1.4 NC1CCNC(=O)C1 JZ2737 [1,0,0,1,0,0|2,0,0]=4 293 B8R1.4 O=C1CC(O)CCN1 HL4116 [1,0,0,1,0,0|2,0,0]=4 294 B8R1.7 CC(=O)C1=NCCC1 RT14173 [1,0,0,1,0,0|1,0,0]=3 295 B8R1.7 CC(=O)C1CCCC1 RT17591 [1,0,0,1,0,0|0,0,1]=3 296 B8R1.18 C=C1CC(C)OC1=O YH10932 [1,0,0,1,0,0|2,0,0]=4 297 B10R1.18 CC(=O)CC1CCCCC1 LL0342 [0,0,0,1,0,1|1,0,1]=4 298 B10R1.18 CC(=O)OC1=CCCCC1 XJ1738 [0,0,0,1,0,1|1,0,0]=3 299 B10R1.18 CC(=O)OC1=CCCCC1 XJ4417 [0,0,0,1,0,1|1,0,0]=3 300 B10R1.18 CC(=O)OC1CCCCS1 RT15702 [0,0,0,1,0,1|0,1,1]=4 301 B10R1.61 CC(=O)N1CCCCC1=O YH55007 [0,0,0,1,0,1|0,0,0]=2 302 B10R1.130 O=C1NC(=O)C(CCBr)N1 RT14550 [0,0,0,1,0,1|2,0,0]=4 303 B10R1.192 CC(=O)C1C(=O)CCC1=O YH66070 [0,0,0,1,0,1|1,0,1]=4 304 B10R1.23 CN(C)C(=O)[C@@H]1CCCN1 YH52670 [0,1,0,1,0,0|2,0,0]=4 305 B10R1.34 CCC1OC(=O)C(O)=C1C YH14543 [0,1,0,1,0,0|1,0,1]=4 306 B10R1.275 CN1CCCC[C@H](N)C1=O LX2515 [0,1,0,1,0,0|1,0,1]=4 307 B10R1.301 CC1CCCC(C)(C)C1=O JZ2012 [0,1,0,1,0,0|1,0,1]=4 308 B10R1.15 CCC(=O)C1=NCCCC1 RT14170 [0,1,0,1,0,0|1,0,0]=3 309 B10R1.15 CCC(=O)C1CCCCC1 HL0671 [0,1,0,1,0,0|1,0,1]=4 310 B10R1.15 COC(=O)C1=CCCCC1 YH42043 [0,1,0,1,0,0|1,0,0]=3 311 B10R1.15 COC(=O)C1=CCCNC1 RT4411 [0,1,0,1,0,0|2,0,0]=4 312 B10R1.15 COC(=O)C1CCCCC1 RT0241 [0,1,0,1,0,0|1,0,1]=4 313 B10R1.15 COC(=O)C1CCCCN1 YH00803 [0,1,0,1,0,0|1,0,1]=4 314 B10R1.15 COC(=O)[C@@H]1CCCCN1 LT0320 [0,1,0,1,0,0|1,0,1]=4 315 B10R1.15 COC(=O)[C@@H]1CCCCN1 YH56731 [0,1,0,1,0,0|1,0,1]=4 316 B10R1.19 C=CN1CCCCCC1=O XJ2095 [0,1,0,1,0,0|2,0,0]=4 317 B10R1.411 COC(=O)C1(N)CCCC1 LT1103 [0,1,0,1,0,0|1,0,1]=4 318 B10R1.363 CC(=O)C1(O)CCCCC1 YH66059 [0,1,0,1,0,0|0,0,2]=4 319 B10R2.178 O=C1CCC2CCC1C2 HL2848 [0,0,0,2,0,0|1,0,1]=4