0 B7R0.9 CC(=O)NC(C)(C)C XJ1333 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.9 CC(=O)OC(C)(C)C LT6202 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.9 CC(C)(C)CC(=O)Cl XJ3242 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.9 CC(C)(C)CC(=O)O LQ1642 [0,0,0,0,0,0|1,0,1]=2 4 B7R0.9 CC(C)(C)NC(N)=O JZ0729 [0,0,0,0,0,0|3,0,0]=3 5 B7R0.9 CC(C)(C)OC(N)=O LQ2613 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.9 CC(C)(N)CC(=O)O YH58525 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.9 CC(C)=CC(C)(C)C HL1356 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.9 CC(O)C[N+](C)(C)[O-] RT2807 [0,0,0,0,0,0|2,0,2]=4 9 B7R0.9 CS(=O)(=O)CC(=O)O HL2312 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.9 C[As+](C)(C)CC(=O)O RT1085 [0,0,0,0,0,0|0,1,1]=2 11 B7R0.9 C[N+](C)(C)CC(=O)O LT4198 [0,0,0,0,0,0|0,0,1]=1 12 B7R0.9 C[N+](C)(C)CC(=O)[O-] HL1358 [0,0,0,0,0,0|0,0,0]=0 13 B6R0.2 CC(=O)CC(=O)[O-] LQ2436 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.2 CC(=O)CC(C)=O LQ3994 [1,0,0,0,0,0|3,0,0]=4 15 B6R0.2 CC(=O)CC(C)=O XJ0505 [1,0,0,0,0,0|3,0,0]=4 16 B6R0.2 CC(=O)CC(C)C LQ0378 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.2 CC(=O)OC(C)C LQ0385 [1,0,0,0,0,0|3,0,0]=4 18 B6R0.2 CC(Br)CC(=O)O JZ2085 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.2 CC(C)=CC(=O)O XJ0940 [1,0,0,0,0,0|1,0,2]=4 20 B6R0.2 CC(C)CC(=O)O XJ0871 [1,0,0,0,0,0|1,0,1]=3 21 B6R0.2 CC(C)CC(N)=O XJ0939 [1,0,0,0,0,0|2,0,0]=3 22 B6R0.2 CC(C)OC(=O)Cl LQ0387 [1,0,0,0,0,0|3,0,0]=4 23 B6R0.2 CC(C)O[N+](=O)[O-] JZ4698 [1,0,0,0,0,0|3,0,0]=4 24 B6R0.2 CC(N)CC(=O)O JZ1398 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.2 CC(O)CC(=O)O LL0657 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.2 CC(O)CC(=O)[O-] LQ0611 [1,0,0,0,0,0|2,0,0]=3 27 B6R0.2 CC(O)CC(=O)[O-] YH53256 [1,0,0,0,0,0|2,0,0]=3 28 B6R0.2 CN(C)CC(=O)Cl CJ3040 [1,0,0,0,0,0|1,0,1]=3 29 B6R0.2 C[C@@H](N)CC(=O)O HL2631 [1,0,0,0,0,0|2,0,1]=4 30 B6R0.2 C[C@H](N)CC(=O)O HL2630 [1,0,0,0,0,0|2,0,1]=4 31 B6R0.2 C[C@H](N)CC(=O)O LQ5428 [1,0,0,0,0,0|2,0,1]=4 32 B6R0.2 C[C@H](N)CC(=O)O YH57972 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.2 C[C@H](N)CC(=O)O YH66623 [1,0,0,0,0,0|2,0,1]=4 34 B6R0.2 C[S+](C)CC(=O)[O-] LQ2769 [1,0,0,0,0,0|1,0,0]=2 35 B6R0.2 O=C([O-])CC(=O)[O-] XJ0592 [1,0,0,0,0,0|3,0,0]=4 36 B6R0.5 C=CC[N+](C)(C)C LQ1810 [1,0,0,0,0,0|1,0,0]=2 37 B6R0.5 CC(C)(C)CCBr HL0956 [1,0,0,0,0,0|2,0,1]=4 38 B6R0.5 CC(C)(C)CCO XJ1179 [1,0,0,0,0,0|1,0,2]=4 39 B6R0.5 CC(C)(C)N=C=O XJ1845 [1,0,0,0,0,0|2,0,1]=4 40 B6R0.5 CC(C)(C)NC=O JZ2037 [1,0,0,0,0,0|2,0,0]=3 41 B6R0.5 CCC[N+](C)(C)C RT0535 [1,0,0,0,0,0|1,0,1]=3 42 B6R0.5 C[As+](C)(C)CCO RT1086 [1,0,0,0,0,0|0,1,2]=4 43 B6R0.5 C[N+](C)(C)CC=O RT17781 [1,0,0,0,0,0|0,0,0]=1 44 B6R0.5 C[N+](C)(C)CCO JZ5198 [1,0,0,0,0,0|0,0,2]=3 45 B6R0.5 C[Si](C)(C)CCO JZ2139 [1,0,0,0,0,0|1,0,2]=4 46 B6R0.5 C[Si](C)(C)\C=C\I YH66357 [1,0,0,0,0,0|2,0,1]=4 47 B8R0.24 C=CC(=O)NC(C)(C)C HL1361 [0,1,0,0,0,0|3,0,0]=4 48 B8R0.24 CC(C)(C)NC(=O)CCl RT4828 [0,1,0,0,0,0|3,0,0]=4 49 B8R0.24 CC(C)(C)OC(=O)CBr LT6203 [0,1,0,0,0,0|3,0,0]=4 50 B8R0.24 CC(C)(C)OC(=O)CCl LT6201 [0,1,0,0,0,0|3,0,0]=4 51 B8R0.24 CC(C)(C)OC(=O)CI RT1142 [0,1,0,0,0,0|3,0,0]=4 52 B8R0.24 CC(C)(C)OC(=O)CN LT4069 [0,1,0,0,0,0|3,0,0]=4 53 B8R0.24 CC(C)(C)OC(=O)NN XJ1404 [0,1,0,0,0,0|3,0,0]=4 54 B8R0.24 COC(=O)CC(C)(C)C XJ3591 [0,1,0,0,0,0|1,0,1]=3 55 B8R0.24 C[N+](C)(C)CC(=O)NN LT3205 [0,1,0,0,0,0|1,0,0]=2 56 B8R0.24 C[N+](C)(C)CC(O)CCl LT2336 [0,1,0,0,0,0|1,0,2]=4 57 B8R0.27 CC(C)(C)C(=O)C(=O)O LQ1447 [0,1,0,0,0,0|1,0,2]=4 58 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O LQ4575 [0,1,0,0,0,0|1,0,1]=3 59 B8R0.27 CC(C)(C)[C@H](N)C(=O)O LT6046 [0,1,0,0,0,0|1,0,1]=3 60 B8R0.27 CC(C)(C)[C@H](O)C(=O)O YH47225 [0,1,0,0,0,0|1,0,1]=3 61 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O RT5796 [0,1,0,0,0,0|2,0,1]=4 62 B8R0.27 [2H]C(C)(C)C(=O)C(=O)[O-] RT0536 [0,1,0,0,0,0|2,0,1]=4 63 B8R0.27 [C@@H](N)(C(=O)O)C(C)(C)O CJ2140 [0,1,0,0,0,0|2,0,1]=4 64 B8R0.27 [C@H](N)(C(=O)O)C(C)(C)O LX2927 [0,1,0,0,0,0|2,0,1]=4 65 B8R0.33 CC(C)(C)CS(N)(=O)=O RT4718 [0,1,0,0,0,0|2,0,1]=4 66 B8R0.33 C[Si](C)(C)CS(=O)(=O)O JZ3368 [0,1,0,0,0,0|2,0,1]=4 67 B8R0.34 CC(=O)OC(C)(C)CO RT0009 [0,1,0,0,0,0|3,0,0]=4 68 B8R0.34 CC(C)(CO)N[N+](=O)[O-] RT4823 [0,1,0,0,0,0|3,0,0]=4 69 B8R1.51 CC1(C)COC(=O)N1 LT5107 [0,0,0,1,0,0|2,0,1]=4 70 B8R1.51 CC1(C)COC(=O)O1 RT14540 [0,0,0,1,0,0|2,0,1]=4 71 B8R1.77 [C@H]1(C(N)=O)CC1(C)C YH17484 [0,0,0,1,0,0|2,0,0]=3 72 B6R0.7 CC(C)(Br)C(=O)Br XJ4581 [0,0,0,0,1,0|3,0,0]=4 73 B6R0.7 CC(C)(Br)C(=O)O HL2102 [0,0,0,0,1,0|2,0,1]=4 74 B6R0.7 CC(C)(Br)C(N)=O YH16835 [0,0,0,0,1,0|3,0,0]=4 75 B6R0.7 CC(C)(C)C(=N)N XJ4393 [0,0,0,0,1,0|3,0,0]=4 76 B6R0.7 CC(C)(C)C(=O)Cl JZ0680 [0,0,0,0,1,0|2,0,0]=3 77 B6R0.7 CC(C)(C)C(=O)O JZ0676 [0,0,0,0,1,0|1,0,1]=3 78 B6R0.7 CC(C)(C)C(N)=S LQ1285 [0,0,0,0,1,0|2,1,0]=4 79 B6R0.7 CC(C)(C)S(=O)Cl LQ4733 [0,0,0,0,1,0|3,0,0]=4 80 B6R0.7 CC(C)(C)[N+](=O)[O-] LQ1103 [0,0,0,0,1,0|2,0,0]=3 81 B6R0.7 CC(C)(C)[N+](=O)[O-] XJ0928 [0,0,0,0,1,0|2,0,0]=3 82 B6R0.7 CC(C)(C)[S@@](N)=O HL3531 [0,0,0,0,1,0|3,0,0]=4 83 B6R0.7 CC(C)(C)[S@@](N)=O LT1104 [0,0,0,0,1,0|3,0,0]=4 84 B6R0.7 CC(C)(C)[S@@](N)=O LT1105 [0,0,0,0,1,0|3,0,0]=4 85 B6R0.7 CC(C)(Cl)[N+](=O)[O-] LQ1104 [0,0,0,0,1,0|3,0,0]=4 86 B6R0.7 CC(C)(N)C(=O)O JZ1007 [0,0,0,0,1,0|2,0,1]=4 87 B6R0.7 CC(C)(O)C(=O)O LQ1101 [0,0,0,0,1,0|2,0,1]=4 88 B6R0.7 CC(C)(O)C(N)=O LQ3549 [0,0,0,0,1,0|3,0,0]=4 89 B6R0.7 CC(C)(S)C(=O)O LQ2741 [0,0,0,0,1,0|2,0,1]=4 90 B6R0.7 CC(Cl)(Cl)C(=O)[O-] HL1538 [0,0,0,0,1,0|3,0,0]=4 91 B8R0.29 C[Si](C)(C)CCC(=O)[O-] RT1133 [0,0,0,0,0,1|1,0,0]=2 92 B5R0.1 C=CCC(C)C LQ1324 [2,0,0,0,0,0|2,0,0]=4 93 B5R0.1 C=CCN(C)C JZ1867 [2,0,0,0,0,0|1,0,1]=4 94 B5R0.1 CC(=O)CC=O XJ1186 [2,0,0,0,0,0|2,0,0]=4 95 B5R0.1 CC(C)OC=O XJ1196 [2,0,0,0,0,0|2,0,0]=4 96 B5R0.1 CC(O)CC=O HL1375 [2,0,0,0,0,0|2,0,0]=4 97 B5R0.1 CCCC(=O)[O-] XJ2982 [2,0,0,0,0,0|1,0,0]=3 98 B5R0.1 CCCC(N)=O XJ0937 [2,0,0,0,0,0|2,0,0]=4 99 B5R0.1 CCC[N+](=O)[O-] JZ5682 [2,0,0,0,0,0|2,0,0]=4 100 B5R0.1 CCC[N+](=O)[O-] LQ0374 [2,0,0,0,0,0|2,0,0]=4 101 B5R0.1 CNCC(=O)O JZ4055 [2,0,0,0,0,0|0,0,2]=4 102 B5R0.1 CNCC(=O)O RT0428 [2,0,0,0,0,0|0,0,2]=4 103 B5R0.1 CNCC(=O)[O-] JZ1762 [2,0,0,0,0,0|0,0,1]=3 104 B5R0.1 COCC(C)=O LT7464 [2,0,0,0,0,0|2,0,0]=4 105 B5R0.1 CSCC(=O)O XJ2185 [2,0,0,0,0,0|1,0,1]=4 106 B5R0.1 O=C([O-])CCO RT1268 [2,0,0,0,0,0|2,0,0]=4 107 B5R0.4 CC(C)(C)C=O RT1153 [2,0,0,0,0,0|1,0,0]=3 108 B5R0.4 CC(C)(C)CBr LQ1283 [2,0,0,0,0,0|2,0,0]=4 109 B5R0.4 CC(C)(C)CCl XJ1305 [2,0,0,0,0,0|2,0,0]=4 110 B5R0.4 CC(C)(C)CO LQ0123 [2,0,0,0,0,0|1,0,1]=4 111 B5R0.4 C[N+](C)(C)CI XJ5407 [2,0,0,0,0,0|1,0,0]=3 112 B5R0.4 C[Si](C)(C)CCl LT7112 [2,0,0,0,0,0|2,0,0]=4 113 B5R0.4 C[Si](C)(C)CN YH41576 [2,0,0,0,0,0|2,0,0]=4 114 B7R0.2 CC[C@H](C)CC(=O)O LX2881 [1,1,0,0,0,0|1,0,1]=4 115 B7R0.2 CC[C@H](C)CC(=O)O YH39271 [1,1,0,0,0,0|1,0,1]=4 116 B7R0.16 CC(C)C(=O)C(=O)[O-] HL2578 [1,1,0,0,0,0|1,0,1]=4 117 B7R0.16 CC(C)C(Br)C(=O)O LL0997 [1,1,0,0,0,0|1,0,1]=4 118 B7R0.16 CC(C)C(N)C(=O)O JZ1429 [1,1,0,0,0,0|1,0,1]=4 119 B7R0.16 CC(C)C(O)C(=O)O RT0379 [1,1,0,0,0,0|1,0,1]=4 120 B7R0.16 CC(C)[C@@H](N)C(=O)O JZ0470 [1,1,0,0,0,0|1,0,1]=4 121 B7R0.16 CC(C)[C@H](N)C(=O)O JZ0531 [1,1,0,0,0,0|1,0,1]=4 122 B7R0.16 CC(C)[C@H](N)C(=O)O LQ3992 [1,1,0,0,0,0|1,0,1]=4 123 B7R0.16 [C@@H](N)(C(N)=O)C(C)C XJ2373 [1,1,0,0,0,0|2,0,0]=4 124 B7R0.8 C=CCC[Si](C)(C)C XJ1334 [1,1,0,0,0,0|2,0,0]=4 125 B7R0.8 CCCC[N+](C)(C)C XJ4032 [1,1,0,0,0,0|1,0,1]=4 126 B7R0.8 C[Si](C)(C)C#CC=O XJ2314 [1,1,0,0,0,0|1,0,1]=4 127 B7R0.11 C=CCC(C)(C)CC YH38506 [1,1,0,0,0,0|2,0,0]=4 128 B7R0.13 CC(C)(CN)C(=O)O YH42944 [0,1,0,0,1,0|1,0,1]=4 129 B7R0.13 CC(C)(CN)C(N)=O RT4896 [0,1,0,0,1,0|2,0,0]=4 130 B7R0.13 CC(C)(CO)C(=O)O JZ2632 [0,1,0,0,1,0|1,0,1]=4 131 B7R0.13 CC(C)(CO)[N+](=O)[O-] LQ0142 [0,1,0,0,1,0|2,0,0]=4 132 B7R0.13 CCC(C)(C)C(=O)Cl HL3059 [0,1,0,0,1,0|2,0,0]=4 133 B9R0.10 CC(C)(C)[C@H](N)CC(=O)O YH57331 [0,1,0,0,0,1|1,0,1]=4 134 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O YH92132 [0,1,0,0,0,1|1,0,1]=4 135 B9R0.64 CC(C)(CO)NCC(=O)O RT1434 [0,1,0,0,0,1|1,0,1]=4 136 B9R0.77 C[N+](C)(C)CSS(C)(=O)=O RT17818 [0,1,0,0,0,1|1,0,1]=4 137 B9R0.22 CNC(=O)CC(C)(C)NC RT0542 [0,2,0,0,0,0|2,0,0]=4 138 B9R0.44 CCOC(=O)CC(C)(C)C XJ2853 [0,2,0,0,0,0|1,0,1]=4 139 B9R0.32 CC(C)(CO)C(O)C(=O)[O-] RT0442 [0,2,0,0,0,0|1,0,0]=3 140 B9R0.32 CSC(C)(C)[C@@H](N)C(=O)O RT5640 [0,2,0,0,0,0|1,0,1]=4 141 B9R0.72 CC(C)(C)[C@@H](CN)C(=O)O YH57330 [0,2,0,0,0,0|1,0,1]=4 142 B9R0.58 C[C@@](O)(CCO)CC(=O)[O-] RT1240 [0,2,0,0,0,0|2,0,0]=4 143 B7R1.2 CC1CCC(=O)C1 XJ1883 [1,0,0,1,0,0|2,0,0]=4 144 B7R1.2 CN1CCC(=O)C1 XJ6122 [1,0,0,1,0,0|1,0,1]=4 145 B7R1.20 O=C(O)CC1CC1 LQ2859 [1,0,0,1,0,0|1,0,1]=4 146 B7R1.14 C[N+]1(C)CCCC1 RT4096 [1,0,0,1,0,0|1,0,1]=4 147 B7R1.17 CC1(C)COC1=O RT14112 [0,0,0,1,1,0|1,0,1]=4 148 B7R1.19 CC(=O)C1(C)CC1 JZ4659 [0,0,0,1,1,0|2,0,0]=4 149 B7R1.19 CC1(C(=O)O)CC1 LT5850 [0,0,0,1,1,0|1,0,1]=4 150 B9R1.10 CC1(C)CCC(=O)CC1 LQ2625 [0,0,0,1,0,1|2,0,0]=4 151 B9R1.36 CC1CC(C)(C)CC1=O LQ2692 [0,1,0,1,0,0|2,0,0]=4 152 B9R1.128 O=C(O)CC1(CO)CC1 YH90917 [0,1,0,1,0,0|1,0,1]=4 153 B5R0.5 C=C(C)C(=O)[O-] LQ1630 [1,0,0,0,1,0|1,0,1]=4 154 B5R0.5 CC(=O)C(=O)[O-] JZ2145 [1,0,0,0,1,0|2,0,0]=4 155 B5R0.5 CC(=O)C(=O)[O-] LQ4156 [1,0,0,0,1,0|2,0,0]=4 156 B5R0.5 CC(=O)C(=O)[O-] RT0509 [1,0,0,0,1,0|2,0,0]=4 157 B5R0.5 CC(=O)N(C)C LT7398 [1,0,0,0,1,0|1,0,1]=4 158 B5R0.5 CC(C)C(=O)[O-] JZ5651 [1,0,0,0,1,0|1,0,0]=3 159 B5R0.5 CC(C)C(=O)[O-] YH98974 [1,0,0,0,1,0|1,0,0]=3 160 B5R0.5 CC(C)C(N)=O LQ1071 [1,0,0,0,1,0|2,0,0]=4 161 B5R0.5 CC(O)C(=O)[O-] HL1943 [1,0,0,0,1,0|2,0,0]=4 162 B5R0.5 CC(O)C(=O)[O-] LT7892 [1,0,0,0,1,0|2,0,0]=4 163 B5R0.5 CC(O)C(=O)[O-] XJ1528 [1,0,0,0,1,0|2,0,0]=4 164 B5R0.5 CN(C)C(=O)Cl LT7881 [1,0,0,0,1,0|1,0,1]=4 165 B5R0.5 C[C@H](O)C(=O)[O-] HL4794 [1,0,0,0,1,0|2,0,0]=4 166 B5R0.5 [2H]C(=O)N(C)C JZ2134 [1,0,0,0,1,0|1,0,1]=4 167 B7R0.6 CC(=O)CCC(C)C LL0404 [1,0,0,0,0,1|2,0,0]=4 168 B7R0.6 CC(C)CCC(=O)O XJ1215 [1,0,0,0,0,1|1,0,1]=4 169 B7R0.6 CC(C)CNC(N)=O RT15753 [1,0,0,0,0,1|2,0,0]=4 170 B7R0.6 CC(C)COC(=O)Cl XJ0965 [1,0,0,0,0,1|2,0,0]=4 171 B7R0.6 C[S+](C)CCC(=O)O RT0388 [1,0,0,0,0,1|1,0,1]=4 172 B7R0.6 C[S+](C)CCC(=O)[O-] LQ3247 [1,0,0,0,0,1|1,0,0]=3 173 B9R0.56 C[N+](C)(C)CCOC(N)=O HL1007 [0,0,0,0,0,2|1,0,0]=3 174 B9R0.56 C[N+](C)(C)C\C=C\C(=O)[O-] RT0539 [0,0,0,0,0,2|0,0,0]=2 175 B9R0.56 C[N+](C)(C)NCCC(=O)[O-] JZ0654 [0,0,0,0,0,2|0,0,0]=2