0 B8R0.28 C=C(C)CCOC(C)=O LQ2782 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.28 CC(=O)CCCC(=O)O LQ2357 [0,0,0,0,0,0|1,0,1]=2 2 B8R0.28 CC(=O)NCCC(=O)O XJ2381 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.28 CC(=O)NCCC(C)C YH32371 [0,0,0,0,0,0|2,0,0]=2 4 B8R0.28 CC(=O)SCC=C(C)C RT19804 [0,0,0,0,0,0|2,0,2]=4 5 B8R0.28 CC(=O)SCCC(=O)O RT16513 [0,0,0,0,0,0|2,0,1]=3 6 B8R0.28 CC(C)=NOCC(=O)O RT0106 [0,0,0,0,0,0|2,0,1]=3 7 B8R0.28 CC(C)CCCC(=O)O HL0282 [0,0,0,0,0,0|0,0,0]=0 8 B8R0.28 CC(C)CCOC(=S)[S-] LQ1523 [0,0,0,0,0,0|1,2,0]=3 9 B8R0.28 CC(C)CCO[N+](=O)[O-] XJ0969 [0,0,0,0,0,0|2,0,1]=3 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\B(O)O LL2619 [0,0,0,0,0,0|1,0,3]=4 14 B8R0.28 CC(C)C\C=C\C(=O)O RT1138 [0,0,0,0,0,0|0,0,2]=2 15 B8R0.28 CC(O)CCCC(=O)O RT0557 [0,0,0,0,0,0|1,0,0]=1 16 B8R0.28 CC(O)CNCC(C)O XJ0369 [0,0,0,0,0,0|3,0,1]=4 17 B8R0.28 CC(O)COCC(C)O XJ0370 [0,0,0,0,0,0|3,0,1]=4 18 B8R0.28 CN(C)CCCC(=O)O HL4424 [0,0,0,0,0,0|1,0,0]=1 19 B8R0.28 CN(C)C\C=C\C(=O)O RT4916 [0,0,0,0,0,0|1,0,2]=3 20 B8R0.28 NC(=O)NCCC(=O)O RT5605 [0,0,0,0,0,0|3,0,1]=4 21 B8R0.28 NC(=[NH2+])SCCC(=O)O HL2976 [0,0,0,0,0,0|3,0,1]=4 22 B8R0.28 O=C(Cl)CCCC(=O)Cl LQ2315 [0,0,0,0,0,0|3,0,1]=4 23 B8R0.28 O=C(O)CNCC(=O)O HL1558 [0,0,0,0,0,0|3,0,1]=4 24 B8R0.28 O=C(O)CSCC(=O)O HL1472 [0,0,0,0,0,0|3,0,1]=4 25 B7R0.4 C(=O)OCCC(C)C LL0422 [1,0,0,0,0,0|1,0,0]=2 26 B7R0.4 C=CCCCC(C)C JZ3497 [1,0,0,0,0,0|1,0,0]=2 27 B7R0.4 CC(=O)SCCCBr RT1374 [1,0,0,0,0,0|3,0,0]=4 28 B7R0.4 CC(C)CCCC=O RT0513 [1,0,0,0,0,0|0,0,0]=1 29 B7R0.4 CC(C)CCCCO RT0516 [1,0,0,0,0,0|0,0,1]=2 30 B7R0.4 CC(C)OCCCN LT2607 [1,0,0,0,0,0|2,0,1]=4 31 B7R0.4 CCCCCC(C)C HL0115 [1,0,0,0,0,0|1,0,1]=3 32 B7R0.4 CCCCCC(C)N JZ2985 [1,0,0,0,0,0|2,0,1]=4 33 B7R0.4 CCCCCC(C)N XJ0515 [1,0,0,0,0,0|2,0,1]=4 34 B7R0.4 CCCCCC(N)=O HL0268 [1,0,0,0,0,0|1,0,0]=2 35 B7R0.4 CCCCC[C@H](C)O JZ2825 [1,0,0,0,0,0|1,0,1]=3 36 B7R0.4 CCCCNC(N)=S LQ1811 [1,0,0,0,0,0|2,1,0]=4 37 B7R0.4 CCCCOC(=S)[S-] XJ1408 [1,0,0,0,0,0|1,2,0]=4 38 B7R0.4 CCCCOC(C)=O HL1469 [1,0,0,0,0,0|2,0,0]=3 39 B7R0.4 CCCCOC(N)=O LT4346 [1,0,0,0,0,0|2,0,0]=3 40 B7R0.4 CCCCO[N+](=O)[O-] RT17647 [1,0,0,0,0,0|2,0,1]=4 41 B7R0.4 CCCCSC(C)=O LQ1519 [1,0,0,0,0,0|2,0,0]=3 42 B7R0.4 CCCNCC(C)O RT1462 [1,0,0,0,0,0|2,0,1]=4 43 B7R0.4 CCC\C=C\C(=O)O JZ4447 [1,0,0,0,0,0|0,0,2]=3 44 B7R0.4 CCC\C=C\C(C)=O XJ1585 [1,0,0,0,0,0|1,0,2]=4 45 B7R0.4 CN(C)CCCCN JZ2305 [1,0,0,0,0,0|2,0,1]=4 46 B7R0.4 CNCCCC(=O)O RT0333 [1,0,0,0,0,0|1,0,0]=2 47 B7R0.4 COCCOC(=O)Cl HL0272 [1,0,0,0,0,0|3,0,0]=4 48 B7R0.4 COC\C=C\C(=O)O RT17693 [1,0,0,0,0,0|1,0,2]=4 49 B7R0.4 CS(=O)CCCCN RT4961 [1,0,0,0,0,0|3,0,0]=4 50 B7R0.4 C[S@@](=O)CCCCN RT4965 [1,0,0,0,0,0|3,0,0]=4 51 B7R0.4 C\C=C\CCC(=O)[O-] HL0269 [1,0,0,0,0,0|0,0,3]=4 52 B7R0.4 O=C(Cl)CCCCBr HL2752 [1,0,0,0,0,0|2,0,0]=3 53 B7R0.4 O=C(Cl)CCCCCl LT3549 [1,0,0,0,0,0|2,0,0]=3 54 B7R0.4 O=C(Cl)COCCCl RT17538 [1,0,0,0,0,0|3,0,0]=4 55 B7R0.4 O=C(Cl)OCCCCl LT2580 [1,0,0,0,0,0|3,0,0]=4 56 B7R0.4 O=C(O)CCCCBr JZ0370 [1,0,0,0,0,0|1,0,0]=2 57 B7R0.4 O=C(O)CNCCO RT16423 [1,0,0,0,0,0|2,0,0]=3 58 B7R0.4 O=C([O-])CCCCBr LT3131 [1,0,0,0,0,0|1,0,1]=3 59 B7R0.4 O=C([O-])CCCCO YH65793 [1,0,0,0,0,0|1,0,1]=3 60 B9R0.1 CCC(=O)OCCC(C)C XJ0333 [0,1,0,0,0,0|2,0,0]=3 61 B9R0.1 CN(CCCC(=O)O)N=O RT1205 [0,1,0,0,0,0|2,0,0]=3 62 B9R0.1 COC(=O)CCCC(=O)Cl LQ1781 [0,1,0,0,0,0|2,0,1]=4 63 B9R0.1 COC(=O)CCC[N+](=O)[O-] RT1112 [0,1,0,0,0,0|3,0,0]=4 64 B9R0.1 COC(=O)\C=C\CN(C)C RT4829 [0,1,0,0,0,0|1,0,2]=4 65 B9R0.1 COC(C)CCOC(=O)Cl JZ0071 [0,1,0,0,0,0|2,0,0]=3 66 B9R0.1 COC(C)CCOC(C)=O XJ2686 [0,1,0,0,0,0|2,0,0]=3 67 B9R0.1 COC(C)COCC(C)O RT13504 [0,1,0,0,0,0|2,0,1]=4 68 B9R0.1 O=C(O)CCNC(=O)CBr RT5655 [0,1,0,0,0,0|2,0,1]=4 69 B9R0.7 CC(=O)CC[C@H](N)C(=O)O RT5317 [0,1,0,0,0,0|1,0,1]=3 70 B9R0.7 CC(=O)OC[C@H](N)C(=O)O YH12829 [0,1,0,0,0,0|2,0,1]=4 71 B9R0.7 CC(=O)SC[C@H](C)C(=O)O RT0154 [0,1,0,0,0,0|2,0,1]=4 72 B9R0.7 CC(C)=NOC(C)C(=O)O HL2834 [0,1,0,0,0,0|2,0,1]=4 73 B9R0.7 CC(C)C(=O)NCC(=O)O RT5452 [0,1,0,0,0,0|1,0,1]=3 74 B9R0.7 CC(C)CC[C@@H](N)C(=O)O HL3488 [0,1,0,0,0,0|0,0,0]=1 75 B9R0.7 CC(C)CC[C@H](N)C(=O)O RT5348 [0,1,0,0,0,0|0,0,0]=1 76 B9R0.7 CC(CCC(=O)O)C(=O)O LQ1206 [0,1,0,0,0,0|2,0,1]=4 77 B9R0.7 CC(S)C(=O)NCC(=O)O SY0182 [0,1,0,0,0,0|2,0,1]=4 78 B9R0.7 CN(C)C(=O)CCC(=O)O LQ2248 [0,1,0,0,0,0|1,0,1]=3 79 B9R0.7 CS(=O)CCC(N)C(=O)O XJ5975 [0,1,0,0,0,0|2,0,0]=3 80 B9R0.7 NC(=O)CC[C@H](N)C(=O)O LT7544 [0,1,0,0,0,0|2,0,1]=4 81 B9R0.7 NC(CCC(=O)O)C(=O)O JZ1411 [0,1,0,0,0,0|2,0,1]=4 82 B9R0.7 NC(CCC(=O)O)C(=O)O JZ5344 [0,1,0,0,0,0|2,0,1]=4 83 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O JZ1614 [0,1,0,0,0,0|2,0,1]=4 84 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O XJ0521 [0,1,0,0,0,0|2,0,1]=4 85 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] JZ2957 [0,1,0,0,0,0|2,0,1]=4 86 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] LT7546 [0,1,0,0,0,0|2,0,1]=4 87 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] RT5718 [0,1,0,0,0,0|2,0,1]=4 88 B9R0.7 N[C@@H](CCC([15NH2])=O)C(=O)O RT0547 [0,1,0,0,0,0|2,0,1]=4 89 B9R0.53 CC(=O)CC(=O)OC(C)C XJ0948 [0,1,0,0,0,0|2,0,1]=4 90 B9R0.53 CC(=O)NC(C)CC(=O)O CJ2778 [0,1,0,0,0,0|2,0,1]=4 91 B9R0.53 CC(C)CC(O)CC(C)C RT1220 [0,1,0,0,0,0|2,0,1]=4 92 B9R0.53 CC(C)C[C@H](N)CC(=O)O YH47842 [0,1,0,0,0,0|0,0,0]=1 93 B9R0.53 CN(C)C[C@H](O)CC(=O)O RT1299 [0,1,0,0,0,0|1,0,0]=2 94 B9R0.53 O=C(O)CC(O)CC(=O)O RT0446 [0,1,0,0,0,0|2,0,1]=4 95 B9R0.56 CC(C)CCCC(C)(C)O JZ3702 [0,1,0,0,0,0|1,0,1]=3 96 B9R0.56 CN(C)CCOP(=O)(O)O RT4806 [0,1,0,0,0,0|3,0,0]=4 97 B9R0.56 CS(=O)(=S)OCCC(=O)O RT17836 [0,1,0,0,0,0|3,0,0]=4 98 B9R0.56 C[N+](C)(C)CCOC(N)=O HL1007 [0,1,0,0,0,0|3,0,0]=4 99 B9R0.56 C[N+](C)(C)NCCC(=O)[O-] JZ0654 [0,1,0,0,0,0|2,0,1]=4 100 B9R1.35 CC(C)[C@H]1CSC(=S)N1 LT5892 [0,0,0,1,0,0|2,1,0]=4 101 B9R1.35 CC1CC[C@@H](C(=O)O)N1 YH93916 [0,0,0,1,0,0|1,0,0]=2 102 B9R1.35 CC1NC(C(=O)O)CS1 RT15646 [0,0,0,1,0,0|2,0,0]=3 103 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 RT4824 [0,0,0,1,0,0|1,0,2]=4 104 B9R1.35 N[C@H]1C=C[C@H](C(=O)O)C1 YH65621 [0,0,0,1,0,0|1,0,2]=4 105 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 YH45929 [0,0,0,1,0,0|2,0,0]=3 106 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 JZ0404 [0,0,0,1,0,0|2,0,0]=3 107 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 LQ3156 [0,0,0,1,0,0|2,0,0]=3 108 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 LT1116 [0,0,0,1,0,0|2,0,0]=3 109 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 LT1117 [0,0,0,1,0,0|2,0,0]=3 110 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 YH39572 [0,0,0,1,0,0|2,0,0]=3 111 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 LT1114 [0,0,0,1,0,0|2,0,0]=3 112 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 LQ2269 [0,0,0,1,0,0|2,0,0]=3 113 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 YH18351 [0,0,0,1,0,0|2,0,0]=3 114 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 HL2541 [0,0,0,1,0,0|2,0,0]=3 115 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 LL2236 [0,0,0,1,0,0|2,0,0]=3 116 B9R1.35 O=C1CCC(C(=O)O)C1 XJ0255 [0,0,0,1,0,0|1,0,1]=3 117 B9R1.35 O=C1CCC(C(=O)O)N1 JZ1425 [0,0,0,1,0,0|2,0,1]=4 118 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 JZ1638 [0,0,0,1,0,0|2,0,1]=4 119 B9R1.35 O=C1CC[C@H](C(=O)O)N1 JZ1444 [0,0,0,1,0,0|2,0,1]=4 120 B9R1.35 O=C1CC[C@H](C(=O)O)O1 YH05861 [0,0,0,1,0,0|2,0,1]=4 121 B9R1.35 O=C1CC[C@H](C(=O)O)O1 YH46331 [0,0,0,1,0,0|2,0,1]=4 122 B9R1.49 CN1CCCC(=O)CC1 CJ2109 [0,0,0,1,0,0|2,0,0]=3 123 B9R1.49 CN1CCNC(=O)CC1 LQ2863 [0,0,0,1,0,0|3,0,0]=4 124 B9R1.49 CN1CCNC(=O)CC1 YH09522 [0,0,0,1,0,0|3,0,0]=4 125 B9R1.66 CC1(O)CCOC(=O)C1 HL0327 [0,0,0,1,0,0|3,0,0]=4 126 B9R1.85 O=C(O)COCC1CC1 RT17500 [0,0,0,1,0,0|1,0,0]=2 127 B7R0.6 CC(=O)CCC(=O)O RT1110 [0,0,0,0,1,0|1,0,1]=3 128 B7R0.6 CC(=O)CCC(C)=O LL0405 [0,0,0,0,1,0|2,0,1]=4 129 B7R0.6 CC(=O)CCC(C)C LL0404 [0,0,0,0,1,0|1,0,0]=2 130 B7R0.6 CC(=O)NCC(=O)O LT7370 [0,0,0,0,1,0|2,0,1]=4 131 B7R0.6 CC(=O)SCC(=O)O RT19781 [0,0,0,0,1,0|2,0,1]=4 132 B7R0.6 CC(=O)\C=C\C(C)C LQ2825 [0,0,0,0,1,0|1,0,2]=4 133 B7R0.6 CC(C)CCC(=O)O XJ1215 [0,0,0,0,1,0|0,0,0]=1 134 B7R0.6 CC(C)CCC(C)C HL0113 [0,0,0,0,1,0|2,0,1]=4 135 B7R0.6 CC(C)CCC(C)N RT0214 [0,0,0,0,1,0|2,0,1]=4 136 B7R0.6 CC(C)CCC(C)O HL0260 [0,0,0,0,1,0|1,0,1]=3 137 B7R0.6 CC(C)CNC(N)=O RT15753 [0,0,0,0,1,0|2,0,0]=3 138 B7R0.6 CC(C)COC(=O)Cl XJ0965 [0,0,0,0,1,0|2,0,0]=3 139 B7R0.6 CC(O)CCC(C)O JZ2163 [0,0,0,0,1,0|2,0,1]=4 140 B7R0.6 C[S+](C)CCC(=O)O RT0388 [0,0,0,0,1,0|1,0,0]=2 141 B7R0.6 C[S+](C)CCC(=O)[O-] LQ3247 [0,0,0,0,1,0|1,0,1]=3 142 B7R0.6 NC(=O)CCC(=O)O JZ4062 [0,0,0,0,1,0|2,0,1]=4 143 B7R0.6 O=C(O)CCC(=O)O LL0407 [0,0,0,0,1,0|2,0,1]=4 144 B7R0.6 O=C(O)CCC(=O)O XJ4835 [0,0,0,0,1,0|2,0,1]=4 145 B7R0.6 O=C(O)CC[N+](=O)[O-] XJ0882 [0,0,0,0,1,0|3,0,0]=4 146 B9R0.55 CC(=O)NCCCC(=O)O XJ2382 [0,0,0,0,0,1|1,0,1]=3 147 B9R0.55 CC(C)CCCCC(=O)[O-] LL1076 [0,0,0,0,0,1|0,0,1]=2 148 B9R0.55 CC(C)CCCCC(=O)[O-] XJ6478 [0,0,0,0,0,1|0,0,1]=2 149 B9R0.55 CC(C)CCCCC(C)C LQ1649 [0,0,0,0,0,1|2,0,1]=4 150 B9R0.55 O=C(O)CCCCC(=O)O LQ4458 [0,0,0,0,0,1|2,0,1]=4 151 B9R0.55 O=C(O)CCCCC(=O)O RT17669 [0,0,0,0,0,1|2,0,1]=4 152 B6R0.4 C#CCCC(C)C JZ1939 [2,0,0,0,0,0|0,0,2]=4 153 B6R0.4 C=CCCC(=O)O YH08846 [2,0,0,0,0,0|0,0,2]=4 154 B6R0.4 C=CCCC(C)C JZ2300 [2,0,0,0,0,0|0,0,1]=3 155 B6R0.4 CC#CCC(=O)O RT17532 [2,0,0,0,0,0|0,0,2]=4 156 B6R0.4 CC(Br)CCCBr HL0239 [2,0,0,0,0,0|2,0,0]=4 157 B6R0.4 CC(C)CCC=O RT0502 [2,0,0,0,0,0|0,0,0]=2 158 B6R0.4 CC(C)CCCBr HL0240 [2,0,0,0,0,0|1,0,0]=3 159 B6R0.4 CC(C)COC=O XJ0953 [2,0,0,0,0,0|1,0,0]=3 160 B6R0.4 CC(C)OCCO LQ0441 [2,0,0,0,0,0|1,0,0]=3 161 B6R0.4 CC(N)CCCO RT0123 [2,0,0,0,0,0|1,0,0]=3 162 B6R0.4 CCC#CC(=O)O RT17589 [2,0,0,0,0,0|0,0,2]=4 163 B6R0.4 CCCCC(=O)[O-] RT0478 [2,0,0,0,0,0|0,0,1]=3 164 B6R0.4 CCCCC(C)Br HL2516 [2,0,0,0,0,0|1,0,1]=4 165 B6R0.4 CCCCC(N)=O HL0242 [2,0,0,0,0,0|1,0,0]=3 166 B6R0.4 CCCC[Sn](=O)S LQ4511 [2,0,0,0,0,0|1,1,0]=4 167 B6R0.4 CCCNC(C)=O JZ2722 [2,0,0,0,0,0|2,0,0]=4 168 B6R0.4 CCCNC(N)=O HL0246 [2,0,0,0,0,0|2,0,0]=4 169 B6R0.4 CCCOC(N)=O RT1458 [2,0,0,0,0,0|2,0,0]=4 170 B6R0.4 CCCSC(C)C HL2844 [2,0,0,0,0,0|1,0,1]=4 171 B6R0.4 CCOCC(=O)Cl JZ4848 [2,0,0,0,0,0|2,0,0]=4 172 B6R0.4 CN(C)CCCBr LQ5309 [2,0,0,0,0,0|2,0,0]=4 173 B6R0.4 CN(C)CCCBr YH08472 [2,0,0,0,0,0|2,0,0]=4 174 B6R0.4 CN(C)CCCCl HL0729 [2,0,0,0,0,0|2,0,0]=4 175 B6R0.4 CN(C)CCCCl HL2943 [2,0,0,0,0,0|2,0,0]=4 176 B6R0.4 CN(C)CCCCl LQ0440 [2,0,0,0,0,0|2,0,0]=4 177 B6R0.4 CN(C)CCCN RT1449 [2,0,0,0,0,0|2,0,0]=4 178 B6R0.4 CN(C)CCCO LT2968 [2,0,0,0,0,0|1,0,0]=3 179 B6R0.4 COCCC(=O)O LQ2190 [2,0,0,0,0,0|1,0,0]=3 180 B6R0.4 CSCCC(=O)Cl XJ3231 [2,0,0,0,0,0|2,0,0]=4 181 B6R0.4 CSCCC(C)=O LT2666 [2,0,0,0,0,0|2,0,0]=4 182 B6R0.4 NCCCC(=O)O CJ3094 [2,0,0,0,0,0|1,0,0]=3 183 B6R0.4 NCCCC(N)=O RT0435 [2,0,0,0,0,0|2,0,0]=4 184 B6R0.4 O=C(Cl)CCCBr LQ1513 [2,0,0,0,0,0|2,0,0]=4 185 B6R0.4 O=C(O)CCCBr JZ2086 [2,0,0,0,0,0|1,0,0]=3 186 B6R0.4 O=C(O)CCCS RT19786 [2,0,0,0,0,0|1,0,0]=3 187 B6R0.6 C#CCCCCC HL0285 [2,0,0,0,0,0|1,0,1]=4 188 B6R0.6 C=CCCCCCl LQ1525 [2,0,0,0,0,0|2,0,0]=4 189 B6R0.6 CCCCCC#N HL0286 [2,0,0,0,0,0|1,0,1]=4 190 B6R0.6 CCCCCCCl HL1956 [2,0,0,0,0,0|1,0,1]=4 191 B6R0.6 CCCCCCI JZ4066 [2,0,0,0,0,0|1,0,1]=4 192 B6R0.6 CCCCCCO XJ0385 [2,0,0,0,0,0|0,0,1]=3 193 B6R0.6 CCCCCCS XJ0387 [2,0,0,0,0,0|0,1,1]=4 194 B6R0.6 CCCCCNC LT5645 [2,0,0,0,0,0|2,0,0]=4 195 B6R0.6 CCCCC[Mg]Cl JZ2964 [2,0,0,0,0,0|2,0,0]=4 196 B6R0.6 CCC\C=C\C=O LQ3146 [2,0,0,0,0,0|0,0,2]=4 197 B6R0.6 NCCCCCO HL2296 [2,0,0,0,0,0|1,0,1]=4 198 B6R0.6 O=CCCCC=O LT7833 [2,0,0,0,0,0|1,0,1]=4 199 B6R0.6 O=CCCCC=O YH24624 [2,0,0,0,0,0|1,0,1]=4 200 B6R0.6 O=CCCCCO YH66094 [2,0,0,0,0,0|1,0,0]=3 201 B6R0.6 OCCCCCCl JZ2653 [2,0,0,0,0,0|1,0,1]=4 202 B8R0.5 C=CC[C@@H](N)CC(=O)O YH88215 [1,1,0,0,0,0|0,0,2]=4 203 B8R0.5 CCCC(O)CC(=O)O RT0532 [1,1,0,0,0,0|0,0,0]=2 204 B8R0.5 CCOC(=O)CC(=O)O LQ1646 [1,1,0,0,0,0|1,0,1]=4 205 B8R0.6 C#CC(O)CCCCC LQ1462 [1,1,0,0,0,0|1,0,1]=4 206 B8R0.6 C=CC(=O)OCCCC XJ0575 [1,1,0,0,0,0|2,0,0]=4 207 B8R0.6 C=CC(O)CCCCC HL2529 [1,1,0,0,0,0|1,0,1]=4 208 B8R0.6 CCCCCC(=O)CC HL1322 [1,1,0,0,0,0|1,0,0]=3 209 B8R0.6 CCCCCC(=O)OC HL1324 [1,1,0,0,0,0|0,0,0]=2 210 B8R0.6 CCCCCC(O)CC HL0071 [1,1,0,0,0,0|1,0,1]=4 211 B8R0.6 CCCCOC(=O)C=O LQ3022 [1,1,0,0,0,0|1,0,1]=4 212 B8R0.6 CCCCOC(=O)CCl HL0074 [1,1,0,0,0,0|2,0,0]=4 213 B8R0.6 CCCCOC(=O)CO LT4349 [1,1,0,0,0,0|1,0,0]=3 214 B8R0.6 CCC\C=C\C(=O)OC JZ1988 [1,1,0,0,0,0|0,0,2]=4 215 B8R0.6 COC(=O)CCCC=O YH09376 [1,1,0,0,0,0|1,0,1]=4 216 B8R0.6 COC(=O)CCCCCl XJ4043 [1,1,0,0,0,0|1,0,0]=3 217 B8R0.6 COC(=O)CCCCO RT18638 [1,1,0,0,0,0|1,0,0]=3 218 B8R0.6 COC(=O)COCCCl XJ6460 [1,1,0,0,0,0|2,0,0]=4 219 B8R0.6 OCCCCC(O)CO HL1323 [1,1,0,0,0,0|1,0,1]=4 220 B8R0.7 C=CCCCCC(=O)O XJ1588 [1,1,0,0,0,0|0,0,1]=3 221 B8R0.7 CC(=O)OCCCCCl LT2385 [1,1,0,0,0,0|2,0,0]=4 222 B8R0.7 CC(=O)OCCCCI LQ5055 [1,1,0,0,0,0|2,0,0]=4 223 B8R0.7 CC(C)CCCCC=O RT0529 [1,1,0,0,0,0|0,0,0]=2 224 B8R0.7 CC(C)CCCCCO RT1226 [1,1,0,0,0,0|0,0,1]=3 225 B8R0.7 CCCCCCC(=O)O XJ0376 [1,1,0,0,0,0|0,0,0]=2 226 B8R0.7 CCCCCCC(C)O XJ2646 [1,1,0,0,0,0|1,0,1]=4 227 B8R0.7 CCCCCCC(C)O XJ2647 [1,1,0,0,0,0|1,0,1]=4 228 B8R0.7 CCCCCC[C@H](C)O XJ6892 [1,1,0,0,0,0|1,0,1]=4 229 B8R0.7 CCCCCC[N+](=O)[O-] RT0284 [1,1,0,0,0,0|1,0,1]=4 230 B8R0.7 CCCCCOC(=S)[S-] XJ2277 [1,1,0,0,0,0|0,2,0]=4 231 B8R0.7 CCCCCOC(C)=O HL0284 [1,1,0,0,0,0|1,0,0]=3 232 B8R0.7 CCCCOCC(=O)O HL2310 [1,1,0,0,0,0|0,0,0]=2 233 B8R0.7 CCCCOCC(C)O JZ5031 [1,1,0,0,0,0|1,0,1]=4 234 B8R0.7 CCCC\C=C\C(C)=O XJ4452 [1,1,0,0,0,0|1,0,1]=4 235 B8R0.7 CCOCCOC(=O)Cl JZ0072 [1,1,0,0,0,0|2,0,0]=4 236 B8R0.7 CN(C)CCOCCO LQ1936 [1,1,0,0,0,0|1,0,1]=4 237 B8R0.7 CSCCCOC(C)=O LQ3932 [1,1,0,0,0,0|2,0,0]=4 238 B8R0.7 N#CCCCCC(N)=O RT4815 [1,1,0,0,0,0|1,0,1]=4 239 B8R0.7 NCCCCCC(=O)O JZ1196 [1,1,0,0,0,0|0,0,0]=2 240 B8R0.7 NCCCCCC(=O)O RT0574 [1,1,0,0,0,0|0,0,0]=2 241 B8R0.7 NCCC\C=C\C(=O)O RT5552 [1,1,0,0,0,0|0,0,2]=4 242 B8R0.7 O=C(Cl)CCCCCCl XJ4464 [1,1,0,0,0,0|1,0,0]=3 243 B8R0.7 O=C(O)CCCCCBr HL2738 [1,1,0,0,0,0|0,0,0]=2 244 B8R0.7 O=C(O)CCCCCCl LT3590 [1,1,0,0,0,0|0,0,0]=2 245 B8R0.7 O=C(O)CCCCCO JZ4450 [1,1,0,0,0,0|0,0,0]=2 246 B8R0.8 C=CCCC(N)C(=O)O RT13278 [1,1,0,0,0,0|0,0,2]=4 247 B8R0.8 CCCCC(C)C(=O)Cl XJ5458 [1,1,0,0,0,0|1,0,0]=3 248 B8R0.8 CCCCC(C)C(C)=O LQ2154 [1,1,0,0,0,0|1,0,0]=3 249 B8R0.8 CCCCC(O)C(C)C LQ4085 [1,1,0,0,0,0|1,0,1]=4 250 B8R0.8 CCCC[C@H](N)C(=O)O RT3896 [1,1,0,0,0,0|0,0,0]=2 251 B8R0.8 CSCCC(N)C(=O)O JZ0536 [1,1,0,0,0,0|1,0,0]=3 252 B8R0.8 CSCCC(O)C(=O)[O-] LX2742 [1,1,0,0,0,0|1,0,1]=4 253 B8R0.8 CSCC[C@H](N)C(N)=O YH02073 [1,1,0,0,0,0|2,0,0]=4 254 B8R0.8 C[34S]CC[C@H](N)C(=O)O RT5594 [1,1,0,0,0,0|1,0,0]=3 255 B8R0.8 C[Se]CC[C@H](N)C(=O)O HL0850 [1,1,0,0,0,0|1,0,0]=3 256 B8R0.8 C[Se]CC[C@H](N)C(=O)O LT7572 [1,1,0,0,0,0|1,0,0]=3 257 B8R0.8 NCCC[C@H](N)C(=O)O HL1078 [1,1,0,0,0,0|1,0,0]=3 258 B8R0.8 NCCC[C@H](N)C(=O)O JZ0525 [1,1,0,0,0,0|1,0,0]=3 259 B8R0.8 NCCC[C@H](N)C(=O)O YH10461 [1,1,0,0,0,0|1,0,0]=3 260 B8R0.8 [C@@H](N)(CCCN)C(=O)O JZ1434 [1,1,0,0,0,0|1,0,0]=3 261 B8R0.8 [C@@H](N)(CCSC)C(=O)O JZ0524 [1,1,0,0,0,0|1,0,0]=3 262 B8R0.9 C=CC(N)CCC(=O)O RT1432 [1,1,0,0,0,0|0,0,2]=4 263 B8R0.9 C=CC(N)CCC(=O)O XJ5920 [1,1,0,0,0,0|0,0,2]=4 264 B8R0.9 C=C[C@H](N)CCC(=O)O RT4006 [1,1,0,0,0,0|0,0,2]=4 265 B8R0.9 CC(C)NCC(O)CO RT4911 [1,1,0,0,0,0|1,0,1]=4 266 B8R0.9 CCC(=O)NCC(=O)O RT16860 [1,1,0,0,0,0|1,0,1]=4 267 B8R0.9 CCC(C)COC(=O)Cl RT18691 [1,1,0,0,0,0|2,0,0]=4 268 B8R0.9 COC(=O)CCC(=O)O LQ2566 [1,1,0,0,0,0|1,0,1]=4 269 B8R0.9 NCC(=O)CCC(=O)O LQ2887 [1,1,0,0,0,0|1,0,1]=4 270 B8R0.9 NCC(=O)CCC(=O)O YH23463 [1,1,0,0,0,0|1,0,1]=4 271 B8R0.21 CC(C)(S)CCOC=O RT1370 [1,1,0,0,0,0|1,0,0]=3 272 B8R0.21 CCCCOP(=O)(O)O RT1334 [1,1,0,0,0,0|2,0,0]=4 273 B8R0.23 C=C(CC(C)C)C(C)=O RT0525 [0,1,0,0,1,0|1,0,1]=4 274 B8R0.23 C=C(CN(C)C)C(=O)O RT17687 [0,1,0,0,1,0|1,0,1]=4 275 B8R0.23 CC(=O)CC(O)C(=O)O LX2390 [0,1,0,0,1,0|1,0,1]=4 276 B8R0.23 CC(C)CC(=O)C(=O)[O-] XJ6659 [0,1,0,0,1,0|0,0,2]=4 277 B8R0.23 CC(C)CC(=O)C(=O)[O-] YH04847 [0,1,0,0,1,0|0,0,2]=4 278 B8R0.23 CC(C)CC(O)C(=O)O XJ0828 [0,1,0,0,1,0|0,0,0]=2 279 B8R0.23 CC(C)C[C@H](N)C(=O)O JZ0522 [0,1,0,0,1,0|0,0,0]=2 280 B8R0.23 CC(C)C[C@H](N)C(N)=O LQ3425 [0,1,0,0,1,0|1,0,0]=3 281 B8R0.23 CC(C)[C@@H](N)CC(=O)O YH59764 [0,1,0,0,1,0|0,0,0]=2 282 B8R0.23 CC(C)[C@H](N)CC(=O)O YH17525 [0,1,0,0,1,0|0,0,0]=2 283 B8R0.23 N[C@@H](CC(O)O)C(=O)O RT5703 [0,1,0,0,1,0|2,0,0]=4 284 B8R0.29 C[Si](C)(C)CCC(=O)[O-] RT1133 [0,1,0,0,1,0|0,1,1]=4 285 B10R0.15 CS(=O)(=S)OCCCC(=O)O RT17837 [0,1,0,0,0,1|2,0,0]=4 286 B10R0.55 COC(=O)CCCCC(=O)O HL0266 [0,1,0,0,0,1|1,0,1]=4 287 B10R0.96 CC(=O)CC(=O)CCC(=O)O RT1066 [0,1,0,0,0,1|1,0,1]=4 288 B10R0.96 CC(=O)CC(=O)OCC(C)C XJ3346 [0,1,0,0,0,1|1,0,1]=4 289 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O RT5010 [0,1,0,0,0,1|1,0,1]=4 290 B10R0.3 CC(C)CCCC(C)CCO XJ0349 [0,2,0,0,0,0|1,0,1]=4 291 B10R0.3 CCOC(=O)CCCC(=O)O LQ1638 [0,2,0,0,0,0|1,0,1]=4 292 B10R0.3 CCOC(=O)\C=C\CC(C)C RT1131 [0,2,0,0,0,0|0,0,2]=4 293 B10R0.3 C\C(=C/CO)CCCC(C)C RT0559 [0,2,0,0,0,0|1,0,0]=3 294 B10R0.44 COC(=O)CC(=O)CC(C)C YH66121 [0,2,0,0,0,0|0,0,1]=3 295 B10R0.57 CC(CS)C(=O)NCC(=O)O RT5794 [0,2,0,0,0,0|1,0,1]=4 296 B10R0.57 CCC(C)C(=O)NCC(=O)O RT5455 [0,2,0,0,0,0|1,0,1]=4 297 B10R0.59 COC(=O)CCCC(=O)OC XJ1584 [0,2,0,0,0,0|1,0,1]=4 298 B10R0.59 COC(=O)CCCN(C)N=O RT1206 [0,2,0,0,0,0|2,0,0]=4 299 B10R0.60 COC(=O)CCC[N+](C)(C)C JZ3701 [0,2,0,0,0,0|1,0,0]=3 300 B10R0.65 CCC(C)(O)CCCC(C)C LL0119 [0,2,0,0,0,0|1,0,1]=4 301 B10R0.82 COC(=O)CC[C@H](N)C(=O)O LQ1777 [0,2,0,0,0,0|1,0,1]=4 302 B10R0.92 CC(C)(C)OC[C@@H](N)C(=O)O LQ4105 [0,2,0,0,0,0|1,0,0]=3 303 B10R0.92 CS(=N)(=O)CC[C@H](N)C(=O)O RT5436 [0,2,0,0,0,0|2,0,0]=4 304 B10R0.92 CS(=O)(=O)CCC(N)C(=O)O LQ1464 [0,2,0,0,0,0|2,0,0]=4 305 B10R0.92 C[S@](=N)(=O)CC[C@H](N)C(=O)O RT5437 [0,2,0,0,0,0|2,0,0]=4 306 B10R0.31 CC(C)(C)OC(=O)CC(=O)O YH59320 [0,2,0,0,0,0|1,0,1]=4 307 B10R0.31 CC(CC(=O)Cl)CC(C)(C)C JZ0075 [0,2,0,0,0,0|1,0,0]=3 308 B10R0.31 CC(CC(=O)O)CC(C)(C)C HL1902 [0,2,0,0,0,0|0,0,0]=2 309 B10R0.31 C[N+](C)(C)CC(O)CC(=O)O JZ1405 [0,2,0,0,0,0|1,0,0]=3 310 B10R0.31 C[N+](C)(C)CC(O)CC(=O)[O-] LT7550 [0,2,0,0,0,0|1,0,1]=4 311 B10R0.31 C[N+](C)(C)C[C@@H](N)CC(=O)[O-] RT4712 [0,2,0,0,0,0|1,0,1]=4 312 B10R0.31 C[N+](C)(C)C[C@@H](O)CC(=O)[O-] LX2666 [0,2,0,0,0,0|1,0,1]=4 313 B10R0.31 C[N+](C)(C)C[C@H](O)CC(=O)O LT4103 [0,2,0,0,0,0|1,0,0]=3 314 B10R0.70 C=C(C)CC(CN)CC(=O)O RT4696 [0,2,0,0,0,0|0,0,2]=4 315 B10R0.70 CC(C)=CC(CN)CC(=O)O RT4697 [0,2,0,0,0,0|0,0,2]=4 316 B10R0.70 CC(C)CC(CN)CC(=O)O LX3233 [0,2,0,0,0,0|0,0,0]=2 317 B10R0.70 CC(C)CC(CN)CC(=O)O RT17933 [0,2,0,0,0,0|0,0,0]=2 318 B10R0.70 CC(C)C[C@H](CN)CC(=O)O CJ2244 [0,2,0,0,0,0|0,0,0]=2 319 B8R1.1 C=CC1CCC(=O)O1 LT3251 [1,0,0,1,0,0|0,0,2]=4 320 B8R1.1 CC1CCC(CO)O1 RT14154 [1,0,0,1,0,0|1,0,1]=4 321 B8R1.1 NCC1CNC(=O)O1 RT4366 [1,0,0,1,0,0|2,0,0]=4 322 B8R1.1 O=C1CC[C@@H](CO)N1 RT15015 [1,0,0,1,0,0|2,0,0]=4 323 B8R1.1 O=C1CC[C@H](CO)N1 RT14231 [1,0,0,1,0,0|2,0,0]=4 324 B8R1.4 CC1=CC(=O)CCC1 JZ4467 [1,0,0,1,0,0|0,0,2]=4 325 B8R1.4 CC1CCCC(=O)O1 LQ1481 [1,0,0,1,0,0|0,0,0]=2 326 B8R1.4 CC1CCCC(C)C1 HL0097 [1,0,0,1,0,0|1,0,1]=4 327 B8R1.4 CC1CCCC(O)C1 HL0098 [1,0,0,1,0,0|0,0,1]=3 328 B8R1.4 CC1CCNC(=N)C1 LT0381 [1,0,0,1,0,0|2,0,0]=4 329 B8R1.4 CN1CCCC(O)C1 JZ2330 [1,0,0,1,0,0|1,0,1]=4 330 B8R1.4 C[C@H]1CC(=O)CCO1 YH66361 [1,0,0,1,0,0|1,0,0]=3 331 B8R1.4 C[C@H]1CCC[C@@H](O)C1 LQ4462 [1,0,0,1,0,0|0,0,1]=3 332 B8R1.4 NC1CCCC(=O)C1 YH35862 [1,0,0,1,0,0|1,0,0]=3 333 B8R1.4 NC1CCCC(O)C1 JZ2994 [1,0,0,1,0,0|1,0,1]=4 334 B8R1.4 NC1CCNC(=O)C1 JZ2737 [1,0,0,1,0,0|2,0,0]=4 335 B8R1.4 O=C1CC(O)CCN1 HL4116 [1,0,0,1,0,0|2,0,0]=4 336 B8R1.4 OC1CCCC(O)C1 XJ0873 [1,0,0,1,0,0|1,0,1]=4 337 B8R1.7 CC(=O)C1CCCC1 RT17591 [1,0,0,1,0,0|1,0,0]=3 338 B8R1.7 NC(=O)C1CCCN1 RT6733 [1,0,0,1,0,0|2,0,0]=4 339 B8R1.7 NC(=O)[C@@H]1CCCN1 LT6095 [1,0,0,1,0,0|2,0,0]=4 340 B8R1.7 O=C(O)C1CC=CC1 LQ3326 [1,0,0,1,0,0|0,0,2]=4 341 B8R1.7 O=C(O)C1CCCO1 LT5095 [1,0,0,1,0,0|1,0,0]=3 342 B8R1.7 O=C(O)C1CCNC1 YH08955 [1,0,0,1,0,0|1,0,0]=3 343 B8R1.7 O=C(O)C1COCN1 YH53251 [1,0,0,1,0,0|2,0,0]=4 344 B8R1.7 O=C(O)C1NCCS1 LT6660 [1,0,0,1,0,0|2,0,0]=4 345 B8R1.7 O=C(O)[C@@H]1CCCN1 JZ0527 [1,0,0,1,0,0|1,0,0]=3 346 B8R1.7 O=C(O)[C@@H]1CCCO1 XJ6513 [1,0,0,1,0,0|1,0,0]=3 347 B8R1.7 O=C(O)[C@@H]1CCNC1 YH13838 [1,0,0,1,0,0|1,0,0]=3 348 B8R1.7 O=C(O)[C@@H]1CCOC1 YH12920 [1,0,0,1,0,0|1,0,0]=3 349 B8R1.7 O=C(O)[C@@H]1CSCN1 XJ5151 [1,0,0,1,0,0|2,0,0]=4 350 B8R1.7 O=C(O)[C@H]1CCCO1 XJ6512 [1,0,0,1,0,0|1,0,0]=3 351 B8R1.7 O=C(O)[C@H]1CCNC1 JZ0220 [1,0,0,1,0,0|1,0,0]=3 352 B8R1.7 O=C(O)[C@H]1CCNC1 LT4960 [1,0,0,1,0,0|1,0,0]=3 353 B8R1.7 O=C(O)[C@H]1CCOC1 YH39058 [1,0,0,1,0,0|1,0,0]=3 354 B8R1.7 O=[N+]([O-])C1CCCC1 LQ2246 [1,0,0,1,0,0|1,0,1]=4 355 B8R1.19 CC1(C)CCCC1N RT4727 [1,0,0,1,0,0|1,0,1]=4 356 B8R1.22 CC1CCCNCC1 RT15402 [1,0,0,1,0,0|2,0,0]=4 357 B8R1.22 O=C1CCCCCC1 LT4672 [1,0,0,1,0,0|1,0,0]=3 358 B8R1.22 O=C1CCCNCC1 XJ5502 [1,0,0,1,0,0|2,0,0]=4 359 B8R1.22 OC1CCCCCC1 XJ0857 [1,0,0,1,0,0|1,0,1]=4 360 B8R1.72 CC1(O)CCCCC1 HL0085 [1,0,0,1,0,0|1,0,1]=4 361 B8R1.72 CC1(O)CCCCC1 XJ4851 [1,0,0,1,0,0|1,0,1]=4 362 B8R1.3 CC1CCC(=O)CC1 HL0070 [0,0,0,1,1,0|1,0,0]=3 363 B8R1.3 CN1CCC(=O)CC1 RT15013 [0,0,0,1,1,0|2,0,0]=4 364 B8R1.3 C[C@H]1CC[C@@H](O)CC1 JZ3188 [0,0,0,1,1,0|1,0,1]=4 365 B8R1.3 C[C@H]1CC[C@H](O)CC1 JZ3189 [0,0,0,1,1,0|1,0,1]=4 366 B8R1.3 O=C1CCC(O)CC1 LQ3627 [0,0,0,1,1,0|2,0,0]=4 367 B8R1.3 O=C1CC[C@@H](O)CN1 YH21770 [0,0,0,1,1,0|2,0,0]=4 368 B8R1.3 O=C1CC[C@@H](O)CN1 YH43352 [0,0,0,1,1,0|2,0,0]=4 369 B8R1.3 O=C1CC[C@H](O)CN1 YH48824 [0,0,0,1,1,0|2,0,0]=4 370 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 YH91894 [0,0,0,1,1,0|0,0,0]=2 371 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 YH65895 [0,0,0,1,1,0|1,0,0]=3 372 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 YH65914 [0,0,0,1,1,0|1,0,0]=3 373 B8R1.23 O=C1CC(C(=O)O)C1 XJ4733 [0,0,0,1,1,0|1,0,1]=4 374 B8R1.51 CC1(C)COC(=O)N1 LT5107 [0,0,0,1,1,0|2,0,0]=4 375 B8R1.51 CC1(C)COC(=O)O1 RT14540 [0,0,0,1,1,0|1,0,0]=3 376 B8R1.77 [C@H]1(C(N)=O)CC1(C)C YH17484 [0,0,0,1,1,0|1,0,0]=3 377 B10R1.54 CC(C)CC1CNC(=O)C1 RT14639 [0,0,0,1,0,1|1,0,0]=3 378 B10R1.54 CC(C)CC1OCC(C)O1 XJ4462 [0,0,0,1,0,1|1,0,1]=4 379 B10R1.54 O=C(O)CC1CCC(=O)C1 YH50499 [0,0,0,1,0,1|1,0,1]=4 380 B10R1.113 CN1CCC=C(C(=O)O)C1 JZ2810 [0,0,0,1,0,1|1,0,1]=4 381 B10R1.113 CN1CCC=C(C(=O)O)C1 RT16625 [0,0,0,1,0,1|1,0,1]=4 382 B10R1.113 C[C@@H]1CCCN(C(=O)[O-])C1 HL4844 [0,0,0,1,0,1|0,0,1]=3 383 B10R1.113 C[C@@H]1CCN[C@@H](C(=O)O)C1 XJ6310 [0,0,0,1,0,1|0,0,0]=2 384 B10R1.128 CC1(C)CNCC1C(=O)O YH50393 [0,0,0,1,0,1|0,0,0]=2 385 B10R1.128 CC1(C)SCNC1C(=O)O RT14487 [0,0,0,1,0,1|1,0,0]=3 386 B10R1.128 CN1(C)CCC[C@H]1C(=O)O YH02606 [0,0,0,1,0,1|1,0,0]=3 387 B10R1.13 CC(C)N1CCC(=O)CC1 XJ2879 [0,1,0,1,0,0|2,0,0]=4 388 B10R1.13 CC1CCC(C(=O)O)CC1 LT2843 [0,1,0,1,0,0|0,0,0]=2 389 B10R1.13 CN1CCC(C(=O)O)CC1 LT0358 [0,1,0,1,0,0|1,0,0]=3 390 B10R1.13 CN1CCC(C(=O)O)CC1 YH14081 [0,1,0,1,0,0|1,0,0]=3 391 B10R1.13 NC1CCC(C(=O)O)CC1 XJ2555 [0,1,0,1,0,0|1,0,0]=3 392 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 XJ2556 [0,1,0,1,0,0|1,0,0]=3 393 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 YH51578 [0,1,0,1,0,0|1,0,0]=3 394 B10R1.13 O=C(O)C1CCC(F)CC1 RT1228 [0,1,0,1,0,0|1,0,0]=3 395 B10R1.13 O=C(O)C1CCC(O)CC1 LT6124 [0,1,0,1,0,0|1,0,0]=3 396 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 YH57421 [0,1,0,1,0,0|1,0,0]=3 397 B10R1.13 O=C1CCC(C(=O)O)CC1 XJ1441 [0,1,0,1,0,0|1,0,1]=4 398 B10R1.14 COC(=O)C1CCC(=O)C1 YH54630 [0,1,0,1,0,0|1,0,1]=4 399 B10R1.14 COC(=O)C1CCN(C)C1 XJ5154 [0,1,0,1,0,0|1,0,0]=3 400 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 LX2943 [0,1,0,1,0,0|2,0,0]=4 401 B10R1.194 CN1C(=O)CC[C@H]1C(=O)O SY0027 [0,1,0,1,0,0|1,0,1]=4 402 B10R1.301 CC1CCCC(C)(C)C1=O JZ2012 [0,1,0,1,0,0|1,0,1]=4 403 B10R1.190 C=C1C[C@H]1C[C@H](N)C(=O)O RT4994 [0,1,0,1,0,0|0,0,2]=4 404 B10R1.359 CC(=O)C1COC(C)(C)O1 RT14530 [0,1,0,1,0,0|2,0,0]=4 405 B10R1.359 CC1(C)NC(C(=O)O)CS1 YH58695 [0,1,0,1,0,0|1,0,0]=3 406 B10R1.359 CC1(C)NC(C(=O)O)CS1 YH65814 [0,1,0,1,0,0|1,0,0]=3 407 B10R1.329 CC1(C)CC(=O)CC(=O)C1 LT3491 [0,1,0,1,0,0|1,0,1]=4 408 B10R1.329 CC1(C)CC(=O)CC(=O)N1 YH05196 [0,1,0,1,0,0|1,0,1]=4 409 B10R1.329 CC1(C)OC(=O)CC(=O)O1 RT15351 [0,1,0,1,0,0|1,0,1]=4 410 B10R1.329 CC1CC(=O)CC(C)(C)C1 XJ1432 [0,1,0,1,0,0|1,0,0]=3 411 B10R1.329 CC1CC(O)CC(C)(C)C1 HL1464 [0,1,0,1,0,0|1,0,1]=4 412 B10R1.329 C[C@@H]1C[C@H](O)CC(C)(C)C1 LT4578 [0,1,0,1,0,0|1,0,1]=4 413 B10R2.178 O=C1CCC2CCC1C2 HL2848 [0,0,0,2,0,0|1,0,0]=3 414 B6R0.2 CC(=O)CC(C)C LQ0378 [0,0,0,0,2,0|1,0,0]=3 415 B6R0.2 CC(=O)OC(C)C LQ0385 [0,0,0,0,2,0|2,0,0]=4 416 B6R0.2 CC(Br)CC(=O)O JZ2085 [0,0,0,0,2,0|1,0,0]=3 417 B6R0.2 CC(C)=CC(=O)O XJ0940 [0,0,0,0,2,0|0,0,2]=4 418 B6R0.2 CC(C)CB(O)O XJ6479 [0,0,0,0,2,0|1,0,1]=4 419 B6R0.2 CC(C)CC(=O)O XJ0871 [0,0,0,0,2,0|0,0,0]=2 420 B6R0.2 CC(C)CC(N)=O XJ0939 [0,0,0,0,2,0|1,0,0]=3 421 B6R0.2 CC(C)C[C@H](C)O JZ4964 [0,0,0,0,2,0|1,0,1]=4 422 B6R0.2 CC(C)OC(=O)Cl LQ0387 [0,0,0,0,2,0|2,0,0]=4 423 B6R0.2 CC(N)CC(=O)O JZ1398 [0,0,0,0,2,0|1,0,0]=3 424 B6R0.2 CC(O)CC(=O)O LL0657 [0,0,0,0,2,0|1,0,0]=3 425 B6R0.2 CC(O)CC(=O)[O-] LQ0611 [0,0,0,0,2,0|1,0,1]=4 426 B6R0.2 CC(O)CC(=O)[O-] YH53256 [0,0,0,0,2,0|1,0,1]=4 427 B6R0.2 CN(C)CC(=O)Cl CJ3040 [0,0,0,0,2,0|2,0,0]=4 428 B6R0.2 C[C@@H](N)CC(=O)O HL2631 [0,0,0,0,2,0|1,0,0]=3 429 B6R0.2 C[C@H](N)CC(=O)O HL2630 [0,0,0,0,2,0|1,0,0]=3 430 B6R0.2 C[C@H](N)CC(=O)O LQ5428 [0,0,0,0,2,0|1,0,0]=3 431 B6R0.2 C[C@H](N)CC(=O)O YH57972 [0,0,0,0,2,0|1,0,0]=3 432 B6R0.2 C[C@H](N)CC(=O)O YH66623 [0,0,0,0,2,0|1,0,0]=3 433 B6R0.2 C[S+](C)CC(=O)[O-] LQ2769 [0,0,0,0,2,0|1,0,1]=4 434 B10R0.97 CC(C)CCCCCC(=O)O JZ5722 [0,0,0,0,0,2|0,0,0]=2