0 B6R0.1 C#CC(=O)OCC JZ0327 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.1 C(Cl)CC(=O)OC LT5092 [0,0,0,0,0,0|2,0,0]=2 2 B6R0.1 C=CC(=O)OCC XJ0563 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.1 C=COC(=O)CC XJ0313 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.1 CCC(=O)CSC JZ4808 [0,0,0,0,0,0|1,0,0]=1 5 B6R0.1 CCC(=O)\C=C\Cl RT1219 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.1 CCCC(=O)CC HL0062 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.1 CCCC(=O)NN JZ2316 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.1 CCCC(=O)OC XJ1144 [0,0,0,0,0,0|1,0,0]=1 9 B6R0.1 CCCC(=O)SC XJ2150 [0,0,0,0,0,0|1,1,0]=2 10 B6R0.1 CCCC(C)CC HL0060 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.1 CCC\C(N)=N\O XJ4957 [0,0,0,0,0,0|4,0,0]=4 12 B6R0.1 CCOC(=O)C=O LQ1498 [0,0,0,0,0,0|4,0,0]=4 13 B6R0.1 CCOC(=O)CBr JZ0369 [0,0,0,0,0,0|4,0,0]=4 14 B6R0.1 CCOC(=O)CN JZ1544 [0,0,0,0,0,0|4,0,0]=4 15 B6R0.1 CCOC(=O)NN LT5272 [0,0,0,0,0,0|4,0,0]=4 16 B6R0.1 CCOC(=O)NN XJ4829 [0,0,0,0,0,0|4,0,0]=4 17 B6R0.1 CCOC(=O)NO HL0063 [0,0,0,0,0,0|4,0,0]=4 18 B6R0.1 CCOC(=O)[13CH2]N RT5563 [0,0,0,0,0,0|4,0,0]=4 19 B6R0.1 CCSC(=O)CC LT5718 [0,0,0,0,0,0|3,0,0]=3 20 B6R0.1 CNC(=O)CC#N LT5789 [0,0,0,0,0,0|3,0,0]=3 21 B6R0.1 CNCC(=O)OC JZ4592 [0,0,0,0,0,0|1,0,0]=1 22 B6R0.1 COC(=O)CCN LT4189 [0,0,0,0,0,0|2,0,0]=2 23 B6R0.1 COC(=O)CCS JZ2165 [0,0,0,0,0,0|2,0,0]=2 24 B6R0.1 COC(=O)NC#N LT5545 [0,0,0,0,0,0|3,0,0]=3 25 B6R0.1 COC(=O)OCCl RT1172 [0,0,0,0,0,0|3,0,0]=3 26 B6R0.1 CO\C(C)=N\C#N LT5619 [0,0,0,0,0,0|4,0,0]=4 27 B6R0.1 C\C=C\C(=O)OC LQ4078 [0,0,0,0,0,0|1,0,1]=2 28 B6R0.1 C\C=C\C(C)=C\C LQ4645 [0,0,0,0,0,0|3,0,1]=4 29 B6R0.1 N#CCC(=O)NN XJ0562 [0,0,0,0,0,0|4,0,0]=4 30 B5R0.1 C(Cl)CC(=O)O CJ2142 [1,0,0,0,0,0|2,0,0]=3 31 B5R0.1 C=C(C)OCC LT1730 [1,0,0,0,0,0|3,0,0]=4 32 B5R0.1 C=CCC(N)=O RT17513 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.1 C=COC(C)=O LQ0375 [1,0,0,0,0,0|2,0,1]=4 34 B5R0.1 C=COC(C)=O LQ4456 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.1 C=COC(C)=O XJ3468 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.1 CC(=O)CC#N HL2246 [1,0,0,0,0,0|2,0,0]=3 37 B5R0.1 CC(=O)CC=O XJ1186 [1,0,0,0,0,0|2,0,0]=3 38 B5R0.1 CC(=O)CCS XJ5155 [1,0,0,0,0,0|2,0,0]=3 39 B5R0.1 CC(=O)\C=N\O LT6064 [1,0,0,0,0,0|2,0,1]=4 40 B5R0.1 CCCC(=O)[O-] XJ2982 [1,0,0,0,0,0|1,0,1]=3 41 B5R0.1 CCCC(C)C HL1370 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.1 CCCC(C)C HL4500 [1,0,0,0,0,0|2,0,1]=4 43 B5R0.1 CCCC(N)=O XJ0937 [1,0,0,0,0,0|2,0,0]=3 44 B5R0.1 CCCC(N)=[NH2+] LX2780 [1,0,0,0,0,0|3,0,0]=4 45 B5R0.1 CCC[C@H](C)O LQ4668 [1,0,0,0,0,0|1,0,2]=4 46 B5R0.1 CCC[N+](=O)[O-] JZ5682 [1,0,0,0,0,0|2,0,1]=4 47 B5R0.1 CCC[N+](=O)[O-] LQ0374 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.1 CCNC(C)=O XJ1192 [1,0,0,0,0,0|2,0,0]=3 49 B5R0.1 CCNC(N)=O XJ1194 [1,0,0,0,0,0|3,0,0]=4 50 B5R0.1 CCNC(N)=O XJ3539 [1,0,0,0,0,0|3,0,0]=4 51 B5R0.1 CCOC(=O)Cl XJ0938 [1,0,0,0,0,0|3,0,0]=4 52 B5R0.1 CCOC(=O)O XJ1147 [1,0,0,0,0,0|2,0,0]=3 53 B5R0.1 CCOC(N)=O RT0197 [1,0,0,0,0,0|3,0,0]=4 54 B5R0.1 CCO[Si](=O)O JZ3510 [1,0,0,0,0,0|2,1,0]=4 55 B5R0.1 CCSC(C)=O HL4138 [1,0,0,0,0,0|2,0,0]=3 56 B5R0.1 CCSC(C)=O XJ1197 [1,0,0,0,0,0|2,0,0]=3 57 B5R0.1 CNCC(=O)O JZ4055 [1,0,0,0,0,0|1,0,0]=2 58 B5R0.1 CNCC(=O)O RT0428 [1,0,0,0,0,0|1,0,0]=2 59 B5R0.1 CNCC(=O)[O-] JZ1762 [1,0,0,0,0,0|1,0,1]=3 60 B5R0.1 COCC(C)=O LT7464 [1,0,0,0,0,0|0,1,0]=2 61 B5R0.1 COCC(C)N XJ5266 [1,0,0,0,0,0|1,1,1]=4 62 B5R0.1 COC[C@H](C)N XJ6713 [1,0,0,0,0,0|1,1,1]=4 63 B5R0.1 CSCC(=N)N YH65419 [1,0,0,0,0,0|2,0,0]=3 64 B5R0.1 CSCC(=O)O XJ2185 [1,0,0,0,0,0|0,0,0]=1 65 B5R0.1 C\C=C\C(=O)Cl XJ1187 [1,0,0,0,0,0|2,0,1]=4 66 B5R0.1 C\C=C\C(=O)O HL1378 [1,0,0,0,0,0|1,0,1]=3 67 B5R0.1 C\C=C\C(N)=O RT17596 [1,0,0,0,0,0|2,0,1]=4 68 B5R0.1 NC(=O)CCO RT17509 [1,0,0,0,0,0|3,0,0]=4 69 B5R0.1 NCCC(=O)O JZ0318 [1,0,0,0,0,0|2,0,0]=3 70 B5R0.1 NOCC(=O)O RT0527 [1,0,0,0,0,0|1,1,0]=3 71 B5R0.1 O=C(Cl)CCCl JZ0826 [1,0,0,0,0,0|3,0,0]=4 72 B5R0.1 O=C(O)CCBr HL0088 [1,0,0,0,0,0|2,0,0]=3 73 B5R0.1 O=C(O)CCS SY0092 [1,0,0,0,0,0|2,0,0]=3 74 B5R0.1 O=C([O-])CCO RT1268 [1,0,0,0,0,0|2,0,1]=4 75 B5R0.2 C=CC\C=C\C HL0119 [1,0,0,0,0,0|2,0,1]=4 76 B5R0.2 CCCCNC LL0434 [1,0,0,0,0,0|2,0,1]=4 77 B5R0.2 CCCCSC HL0277 [1,0,0,0,0,0|1,0,1]=3 78 B5R0.2 CCCSCC LT5403 [1,0,0,0,0,0|3,0,0]=4 79 B5R0.2 CC\C=C\CC JZ3712 [1,0,0,0,0,0|2,0,1]=4 80 B5R0.2 CNCCNC LL0436 [1,0,0,0,0,0|2,0,1]=4 81 B5R0.2 CNCCOC LQ4938 [1,0,0,0,0,0|1,0,1]=3 82 B5R0.2 COCCC#N LL0433 [1,0,0,0,0,0|2,0,1]=4 83 B5R0.2 COCCC=O YH51649 [1,0,0,0,0,0|2,0,1]=4 84 B5R0.2 COCCCCl LQ4914 [1,0,0,0,0,0|2,0,1]=4 85 B5R0.2 COCCCN LT2986 [1,0,0,0,0,0|2,0,1]=4 86 B5R0.2 CO\C=C\C#N LT6188 [1,0,0,0,0,0|2,0,1]=4 87 B5R0.2 CSCCC=O LT3092 [1,0,0,0,0,0|2,0,1]=4 88 B5R0.2 CSCCCN XJ2622 [1,0,0,0,0,0|2,0,1]=4 89 B5R0.2 CSCCCO XJ0883 [1,0,0,0,0,0|2,0,1]=4 90 B5R0.2 CSC\C=N\O LQ3457 [1,0,0,0,0,0|2,0,0]=3 91 B5R0.2 C\C=C\CCC XJ2577 [1,0,0,0,0,0|2,0,0]=3 92 B5R0.3 C#CC(=O)OC LT7442 [1,0,0,0,0,0|0,0,2]=3 93 B5R0.3 C=C(CC)CC XJ1324 [1,0,0,0,0,0|2,0,0]=3 94 B5R0.3 C=CC(=O)OC SY0292 [1,0,0,0,0,0|0,0,2]=3 95 B5R0.3 CCC(=O)NC JZ4434 [1,0,0,0,0,0|1,0,0]=2 96 B5R0.3 CCC(Br)CC XJ1961 [1,0,0,0,0,0|2,0,1]=4 97 B5R0.3 CCC(C)CC LL0223 [1,0,0,0,0,0|2,0,1]=4 98 B5R0.3 CCC(C)NC LQ3344 [1,0,0,0,0,0|2,0,1]=4 99 B5R0.3 CCC(N)CC LQ1186 [1,0,0,0,0,0|2,0,1]=4 100 B5R0.3 CCC(S)CS XJ4247 [1,0,0,0,0,0|1,1,1]=4 101 B5R0.3 CCN(C)CC LQ1190 [1,0,0,0,0,0|3,0,0]=4 102 B5R0.3 CCN(O)CC HL2577 [1,0,0,0,0,0|2,0,1]=4 103 B5R0.3 CC\C(C)=N\O LL0233 [1,0,0,0,0,0|3,0,0]=4 104 B5R0.3 COC(=O)C=O LQ1491 [1,0,0,0,0,0|0,1,1]=3 105 B5R0.3 COC(=O)CN RT5049 [1,0,0,0,0,0|1,0,0]=2 106 B5R0.3 COC(=O)OC LQ1189 [1,0,0,0,0,0|0,1,0]=2 107 B5R0.3 CS\C(C)=N/O RT1099 [1,0,0,0,0,0|3,0,0]=4 108 B5R0.3 O=C(CBr)CBr LQ1454 [1,0,0,0,0,0|3,0,0]=4 109 B5R0.3 O=C(CF)CF CJ2432 [1,0,0,0,0,0|3,0,0]=4 110 B5R0.3 O=C(CI)CI RT0766 [1,0,0,0,0,0|3,0,0]=4 111 B5R0.3 O=C(CO)CO LL1029 [1,0,0,0,0,0|2,1,0]=4 112 B7R0.2 CCC(=O)CC(N)=O YH16677 [0,1,0,0,0,0|3,0,0]=4 113 B7R0.2 CCC(=O)OC(C)C JZ4049 [0,1,0,0,0,0|3,0,0]=4 114 B7R0.2 CNC(=O)CC(C)=O LQ4229 [0,1,0,0,0,0|2,0,0]=3 115 B7R0.2 CNC(=O)C[N+](=O)[O-] RT0518 [0,1,0,0,0,0|3,0,0]=4 116 B7R0.2 COC(=O)C=C(C)C LQ1499 [0,1,0,0,0,0|1,0,1]=3 117 B7R0.2 COC(=O)CC(=O)Cl YH57814 [0,1,0,0,0,0|2,0,0]=3 118 B7R0.2 COC(=O)CC(C)=O XJ0317 [0,1,0,0,0,0|1,0,0]=2 119 B7R0.2 COC(=O)C[C@@H](C)O JZ2426 [0,1,0,0,0,0|1,0,0]=2 120 B7R0.2 COC(=O)C[C@H](C)O LQ5263 [0,1,0,0,0,0|1,0,0]=2 121 B7R0.2 COC(=O)NC(N)=O YH17640 [0,1,0,0,0,0|3,0,0]=4 122 B7R0.2 COC(=O)\C=C(/C)N LT2444 [0,1,0,0,0,0|1,0,1]=3 123 B7R0.2 COC(=O)\C=C(\C)N LQ4292 [0,1,0,0,0,0|1,0,1]=3 124 B7R0.3 C#CCOC(=O)CC LQ2026 [0,1,0,0,0,0|2,0,1]=4 125 B7R0.3 CCCCC(=O)CC XJ0362 [0,1,0,0,0,0|2,0,0]=3 126 B7R0.3 CCCCC(=O)NC HL3084 [0,1,0,0,0,0|2,0,0]=3 127 B7R0.3 CCCCC(=O)NN LQ4942 [0,1,0,0,0,0|3,0,0]=4 128 B7R0.3 CCCOC(=O)CCl HL2914 [0,1,0,0,0,0|3,0,0]=4 129 B7R0.3 CCCOC(=O)CN LQ3564 [0,1,0,0,0,0|3,0,0]=4 130 B7R0.3 CCOCC(=O)OC RT17745 [0,1,0,0,0,0|0,1,0]=2 131 B7R0.3 COC(=O)CCC=O YH33690 [0,1,0,0,0,0|1,0,1]=3 132 B7R0.3 COC(=O)CCCCl LT5164 [0,1,0,0,0,0|1,0,0]=2 133 B7R0.3 COC(=O)CCCO RT0271 [0,1,0,0,0,0|1,0,0]=2 134 B7R0.3 COC(=O)CCSC LQ3661 [0,1,0,0,0,0|0,0,0]=1 135 B7R0.3 COC(=O)\C=C\CBr XJ1572 [0,1,0,0,0,0|1,0,1]=3 136 B7R0.3 COCCC(=O)OC LQ2522 [0,1,0,0,0,0|0,1,0]=2 137 B7R0.3 CO\C=C\C(=O)OC HL3008 [0,1,0,0,0,0|0,1,1]=3 138 B7R0.5 C=C(C)C(=O)OCC LL0282 [0,1,0,0,0,0|3,0,0]=4 139 B7R0.5 CCCC(=O)C(C)=O LQ2544 [0,1,0,0,0,0|2,0,0]=3 140 B7R0.5 CCCC(=O)N(C)C XJ1325 [0,1,0,0,0,0|2,0,0]=3 141 B7R0.5 CCOC(=O)C(C)=O RT1264 [0,1,0,0,0,0|3,0,0]=4 142 B7R0.5 CCOC(=O)C(C)Br LL0957 [0,1,0,0,0,0|3,0,0]=4 143 B7R0.5 CCOC(=O)C(C)F LQ5515 [0,1,0,0,0,0|3,0,0]=4 144 B7R0.5 CCOC(=O)C(C)O HL0374 [0,1,0,0,0,0|3,0,0]=4 145 B7R0.5 CCOC(=O)[C@@H](C)N JZ1462 [0,1,0,0,0,0|3,0,0]=4 146 B7R0.5 CCOC(=O)[C@H](C)O RT17626 [0,1,0,0,0,0|3,0,0]=4 147 B7R0.5 CN(C)C(=O)CC#N JZ3110 [0,1,0,0,0,0|3,0,0]=4 148 B7R0.5 C[Se]CC(=O)C(=O)O RT1095 [0,1,0,0,0,0|2,1,0]=4 149 B7R0.7 C=C(OCC)OCC YH65772 [0,1,0,0,0,0|3,0,0]=4 150 B7R0.7 CCCC(=O)OCCl LQ4784 [0,1,0,0,0,0|1,0,0]=2 151 B7R0.7 CCCS(=O)CCC LQ2622 [0,1,0,0,0,0|3,0,0]=4 152 B7R0.7 CCNC(=O)NCC XJ1156 [0,1,0,0,0,0|3,0,0]=4 153 B7R0.7 CCOC(=O)CC#N LT6197 [0,1,0,0,0,0|2,0,0]=3 154 B7R0.7 CCOC(=O)CC=O YH56003 [0,1,0,0,0,0|2,0,0]=3 155 B7R0.7 CCOC(=O)CCCl XJ1154 [0,1,0,0,0,0|2,0,0]=3 156 B7R0.7 CCOC(=O)CCN LT4188 [0,1,0,0,0,0|2,0,0]=3 157 B7R0.7 CCOC(=O)CCS LQ2910 [0,1,0,0,0,0|2,0,0]=3 158 B7R0.7 CCOC(=O)CNN JZ3067 [0,1,0,0,0,0|2,0,0]=3 159 B7R0.7 CCOC(=O)OCCl RT1170 [0,1,0,0,0,0|2,0,0]=3 160 B7R0.7 CCOC(=O)\C=C/Br YH66073 [0,1,0,0,0,0|2,0,1]=4 161 B7R0.7 CCOC(=S)SCC XJ1157 [0,1,0,0,0,0|2,1,0]=4 162 B7R0.7 CCOC(=S)SCC XJ1158 [0,1,0,0,0,0|2,1,0]=4 163 B7R0.7 CCOC(=S)SCC XJ1396 [0,1,0,0,0,0|2,1,0]=4 164 B7R0.7 CCOS(=O)OCC XJ1159 [0,1,0,0,0,0|3,0,0]=4 165 B7R0.7 COCC(O)COC XJ1152 [0,1,0,0,0,0|0,1,2]=4 166 B7R0.7 O=C(CCBr)CCBr YH33973 [0,1,0,0,0,0|3,0,0]=4 167 B7R0.7 O=C(CCCl)CCCl JZ2373 [0,1,0,0,0,0|3,0,0]=4 168 B7R0.7 [C-]#[N+]CC(=O)OCC XJ2343 [0,1,0,0,0,0|1,0,1]=3 169 B7R0.10 C=C(OC)C(=C)OC JZ2368 [0,1,0,0,0,0|1,1,1]=4 170 B7R0.10 CCC(=O)C(=O)OC RT0515 [0,1,0,0,0,0|1,0,1]=3 171 B7R0.10 CCC(C)C(=O)OC XJ1392 [0,1,0,0,0,0|1,0,0]=2 172 B7R0.10 CCC(N)C(=O)OC RT5378 [0,1,0,0,0,0|1,0,0]=2 173 B7R0.10 CCC(N)C(=O)OC RT5379 [0,1,0,0,0,0|1,0,0]=2 174 B7R0.10 CC[C@@H](N)C(=O)OC YH90152 [0,1,0,0,0,0|1,0,0]=2 175 B7R0.10 COC(=O)C(=O)CBr JZ3137 [0,1,0,0,0,0|2,0,1]=4 176 B7R0.10 COC(=O)C(=O)OC LT5549 [0,1,0,0,0,0|0,1,1]=3 177 B7R0.10 COC(=O)C(=O)OC XJ3029 [0,1,0,0,0,0|0,1,1]=3 178 B7R0.10 COC(=O)C(Br)CBr JZ4729 [0,1,0,0,0,0|2,0,0]=3 179 B7R0.10 COC(=O)C(C)OC LQ4052 [0,1,0,0,0,0|0,1,0]=2 180 B7R0.10 COC(=O)C(Cl)CO LL1708 [0,1,0,0,0,0|2,0,0]=3 181 B7R0.10 COC(=O)C(N)CCl RT5025 [0,1,0,0,0,0|2,0,0]=3 182 B7R0.10 COC(=O)[C@@H](C)CO LT7462 [0,1,0,0,0,0|2,0,0]=3 183 B7R0.10 COC(=O)[C@@H](N)CS JZ0418 [0,1,0,0,0,0|2,0,0]=3 184 B7R0.10 COC(=O)[C@H](N)CO RT5050 [0,1,0,0,0,0|2,0,0]=3 185 B7R0.10 COC(=O)\C(Cl)=N\O RT18720 [0,1,0,0,0,0|2,0,1]=4 186 B7R0.12 CCCN(CC)N=O RT17895 [0,1,0,0,0,0|3,0,0]=4 187 B7R0.12 COC(CSC)OC LT1531 [0,1,0,0,0,0|0,0,2]=3 188 B7R1.1 CCC1=NCCC1 RT14089 [0,0,0,1,0,0|3,0,0]=4 189 B7R1.1 COC1CCCC1 JZ2800 [0,0,0,1,0,0|2,0,1]=4 190 B7R1.1 CO[C@@H]1CCNC1 RT17416 [0,0,0,1,0,0|2,0,1]=4 191 B7R1.2 CC1=CC(=O)CC1 HL2331 [0,0,0,1,0,0|2,0,1]=4 192 B7R1.2 CC1=NNC(=O)C1 LQ0389 [0,0,0,1,0,0|3,0,0]=4 193 B7R1.2 CC1CCC(=O)C1 XJ1883 [0,0,0,1,0,0|2,0,0]=3 194 B7R1.2 CC1CSC(=O)S1 RT14660 [0,0,0,1,0,0|2,1,0]=4 195 B7R1.2 CN1CCC(=O)C1 XJ6122 [0,0,0,1,0,0|2,0,0]=3 196 B7R1.2 C[C@H]1COC(=O)N1 YH59595 [0,0,0,1,0,0|2,0,0]=3 197 B7R1.2 O=C1CC(O)CN1 RT4517 [0,0,0,1,0,0|3,0,0]=4 198 B7R1.2 O=C1COC(=O)C1 XJ2822 [0,0,0,1,0,0|2,0,0]=3 199 B7R1.2 O=C1C[C@@H](O)CN1 RT3914 [0,0,0,1,0,0|3,0,0]=4 200 B7R1.2 O=C1C[C@H](O)CN1 M0400303 [0,0,0,1,0,0|3,0,0]=4 201 B7R1.2 O=C1OCC(Cl)O1 LT4482 [0,0,0,1,0,0|3,0,0]=4 202 B7R1.2 O=C1OCC(Cl)O1 LT7595 [0,0,0,1,0,0|3,0,0]=4 203 B7R1.3 CC1=CCCCC1 HL0101 [0,0,0,1,0,0|3,0,0]=4 204 B7R1.3 N=C1CCCCN1 LT0382 [0,0,0,1,0,0|3,0,0]=4 205 B7R1.3 O=C1C=CCCN1 RT4551 [0,0,0,1,0,0|2,0,1]=4 206 B7R1.3 O=C1CCCCC1 LQ0425 [0,0,0,1,0,0|2,0,0]=3 207 B7R1.3 O=C1CCCNC1 YH04125 [0,0,0,1,0,0|2,0,0]=3 208 B7R1.3 O=C1CCCNC1 YH10216 [0,0,0,1,0,0|2,0,0]=3 209 B7R1.3 O=C1CCNCC1 YH00798 [0,0,0,1,0,0|3,0,0]=4 210 B7R1.3 O=C1CCOCC1 XJ5024 [0,0,0,1,0,0|3,0,0]=4 211 B7R1.3 O=C1CNCCN1 XJ2918 [0,0,0,1,0,0|2,0,0]=3 212 B7R1.3 O=C1COCCN1 LQ0428 [0,0,0,1,0,0|1,1,0]=3 213 B7R1.3 O=C1COCCO1 HL2425 [0,0,0,1,0,0|0,1,0]=2 214 B7R1.3 O=C1NCCCO1 YH05298 [0,0,0,1,0,0|2,0,0]=3 215 B7R1.3 O=C1OCCCO1 XJ2200 [0,0,0,1,0,0|2,0,0]=3 216 B7R1.3 OC1CCCSC1 RT19790 [0,0,0,1,0,0|1,0,2]=4 217 B7R1.4 CC1=CCCC1=O XJ1611 [0,0,0,1,0,0|2,0,1]=4 218 B7R1.4 CC1CCNC1=O YH49833 [0,0,0,1,0,0|3,0,0]=4 219 B7R1.4 CC1CCOC1=O LQ1890 [0,0,0,1,0,0|3,0,0]=4 220 B7R1.4 CC1OCCC1=O LT1811 [0,0,0,1,0,0|3,0,0]=4 221 B7R1.4 CC1SCCC1=O LT1812 [0,0,0,1,0,0|3,0,0]=4 222 B7R1.4 CN1CCCC1=O RT4374 [0,0,0,1,0,0|2,0,0]=3 223 B7R1.4 CN1CCCC1=O XJ2240 [0,0,0,1,0,0|2,0,0]=3 224 B7R1.4 CN1CCCC1=S LQ3417 [0,0,0,1,0,0|2,1,0]=4 225 B7R1.4 CN1CCNC1=O RT13275 [0,0,0,1,0,0|3,0,0]=4 226 B7R1.4 CN1CCOC1=O LT3023 [0,0,0,1,0,0|3,0,0]=4 227 B7R1.22 O=C(CBr)C1CC1 YH14275 [0,0,0,1,0,0|3,0,0]=4 228 B4R0.1 C#CC(=O)O LQ0858 [2,0,0,0,0,0|0,0,2]=4 229 B4R0.1 C=C(Br)CC LQ4356 [2,0,0,0,0,0|1,0,1]=4 230 B4R0.1 C=C(C)CC LQ1059 [2,0,0,0,0,0|1,0,0]=3 231 B4R0.1 C=C(C)OC HL1466 [2,0,0,0,0,0|1,0,0]=3 232 B4R0.1 C=CC(=O)O LL0145 [2,0,0,0,0,0|0,0,2]=4 233 B4R0.1 C=CC(=O)O LQ4543 [2,0,0,0,0,0|0,0,2]=4 234 B4R0.1 CC(=O)CBr LQ1137 [2,0,0,0,0,0|1,0,0]=3 235 B4R0.1 CC(=O)CN LX3064 [2,0,0,0,0,0|1,0,0]=3 236 B4R0.1 CC(=O)NBr XJ0071 [2,0,0,0,0,0|2,0,0]=4 237 B4R0.1 CC(=O)NN LQ1629 [2,0,0,0,0,0|2,0,0]=4 238 B4R0.1 CC(C)CS HL1915 [2,0,0,0,0,0|1,0,1]=4 239 B4R0.1 CCB(O)O XJ2684 [2,0,0,0,0,0|1,0,1]=4 240 B4R0.1 CCC(=O)Cl YH19012 [2,0,0,0,0,0|1,0,0]=3 241 B4R0.1 CCC(=O)[O-] HL1636 [2,0,0,0,0,0|0,0,1]=3 242 B4R0.1 CCC(=O)[O-] LQ1030 [2,0,0,0,0,0|0,0,1]=3 243 B4R0.1 CCC(C)I LT2185 [2,0,0,0,0,0|1,0,1]=4 244 B4R0.1 CC[C@@H](C)N JZ3698 [2,0,0,0,0,0|1,0,1]=4 245 B4R0.1 COC(=N)N JZ2721 [2,0,0,0,0,0|2,0,0]=4 246 B4R0.1 COC(=O)Cl XJ0076 [2,0,0,0,0,0|1,0,0]=3 247 B4R0.1 COC(C)=N YH35544 [2,0,0,0,0,0|1,0,0]=3 248 B4R0.1 COC(C)C RT17590 [2,0,0,0,0,0|1,0,1]=4 249 B4R0.1 COC(N)=O LQ1144 [2,0,0,0,0,0|1,0,0]=3 250 B4R0.1 COC(N)=[NH2+] LT5794 [2,0,0,0,0,0|2,0,0]=4 251 B4R0.1 CSC(=N)N HL3579 [2,0,0,0,0,0|2,0,0]=4 252 B4R0.1 CSC(C)C LT4098 [2,0,0,0,0,0|1,0,1]=4 253 B4R0.1 CS[S+](C)C HL3015 [2,0,0,0,0,0|2,0,0]=4 254 B4R0.1 C\C=C(\C)Br JZ3724 [2,0,0,0,0,0|1,0,1]=4 255 B4R0.1 N=C(O)CO LQ1140 [2,0,0,0,0,0|1,1,0]=4 256 B4R0.1 NC(=O)CCl RT4709 [2,0,0,0,0,0|2,0,0]=4 257 B4R0.1 NCC(=O)O JZ0518 [2,0,0,0,0,0|1,0,0]=3 258 B4R0.1 NCC(=O)O LQ3009 [2,0,0,0,0,0|1,0,0]=3 259 B4R0.1 NCC(=O)[O-] JZ1232 [2,0,0,0,0,0|1,0,1]=4 260 B4R0.1 NCC(=O)[O-] JZ1274 [2,0,0,0,0,0|1,0,1]=4 261 B4R0.1 NCC(=O)[O-] JZ1346 [2,0,0,0,0,0|1,0,1]=4 262 B4R0.1 NCC(=O)[O-] JZ1545 [2,0,0,0,0,0|1,0,1]=4 263 B4R0.1 NCC(=O)[O-] JZ1650 [2,0,0,0,0,0|1,0,1]=4 264 B4R0.1 NCC(N)=O HL0991 [2,0,0,0,0,0|2,0,0]=4 265 B4R0.1 NCC(N)=O LQ1139 [2,0,0,0,0,0|2,0,0]=4 266 B4R0.1 O=C(O)CBr LL0143 [2,0,0,0,0,0|1,0,0]=3 267 B4R0.1 O=C(O)CF LT5771 [2,0,0,0,0,0|1,0,0]=3 268 B4R0.1 O=C([O-])CCl LQ2589 [2,0,0,0,0,0|1,0,1]=4 269 B4R0.1 O=C([O-])CO LQ2283 [2,0,0,0,0,0|0,1,1]=4 270 B4R0.1 O=C([O-])CO XJ5448 [2,0,0,0,0,0|0,1,1]=4 271 B4R0.1 O=C([O-])CS HL2967 [2,0,0,0,0,0|0,0,1]=3 272 B4R0.1 O=C([O-])CS LQ1436 [2,0,0,0,0,0|0,0,1]=3 273 B4R0.1 O=C([O-])CS XJ0675 [2,0,0,0,0,0|0,0,1]=3 274 B4R0.1 O=C([O-])CS XJ6033 [2,0,0,0,0,0|0,0,1]=3 275 B4R0.1 O=CC(=O)O LL0641 [2,0,0,0,0,0|0,1,1]=4 276 B4R0.1 O=CC(=O)O LQ1072 [2,0,0,0,0,0|0,1,1]=4 277 B4R0.1 [2H]OC(C)=O XJ1316 [2,0,0,0,0,0|1,0,0]=3 278 B4R0.2 C=CCOC HL0257 [2,0,0,0,0,0|0,1,1]=4 279 B4R0.2 CCCCS LL0387 [2,0,0,0,0,0|1,0,1]=4 280 B4R0.2 CCOC=O LL0396 [2,0,0,0,0,0|2,0,0]=4 281 B4R0.2 CCOCC LL1197 [2,0,0,0,0,0|2,0,0]=4 282 B4R0.2 CCOCC XJ5008 [2,0,0,0,0,0|2,0,0]=4 283 B4R0.2 CCSSC LQ4240 [2,0,0,0,0,0|1,0,1]=4 284 B4R0.2 CC[AlH3+]CC LL0219 [2,0,0,0,0,0|2,0,0]=4 285 B4R0.2 CC[N-]CC RT4825 [2,0,0,0,0,0|2,0,0]=4 286 B4R0.2 CC[NH2+]CC XJ6105 [2,0,0,0,0,0|2,0,0]=4 287 B4R0.2 CC[Se]CC RT0534 [2,0,0,0,0,0|2,0,0]=4 288 B4R0.2 COCC#N JZ4756 [2,0,0,0,0,0|2,0,0]=4 289 B4R0.2 COCCN LL0392 [2,0,0,0,0,0|1,0,1]=4 290 B4R0.2 COCCO XJ3502 [2,0,0,0,0,0|0,1,1]=4 291 B4R0.2 CSCC=O JZ5555 [2,0,0,0,0,0|0,0,0]=2 292 B4R0.2 CSCCO JZ2661 [2,0,0,0,0,0|0,0,1]=3 293 B4R0.2 CSSSC LT5322 [2,0,0,0,0,0|1,1,0]=4 294 B4R0.2 C\C=C/CO YH00287 [2,0,0,0,0,0|1,1,0]=4 295 B4R0.2 C\C=C\C=O XJ0511 [2,0,0,0,0,0|1,0,1]=4 296 B4R0.2 C\C=C\CC XJ1213 [2,0,0,0,0,0|1,0,0]=3 297 B4R0.2 C\C=C\CCl HL0110 [2,0,0,0,0,0|2,0,0]=4 298 B4R0.2 C\C=C\CN YH07653 [2,0,0,0,0,0|2,0,0]=4 299 B6R0.2 CC(=O)CC(=O)[O-] LQ2436 [1,1,0,0,0,0|1,0,1]=4 300 B6R0.2 CC(=O)CC(C)=O LQ3994 [1,1,0,0,0,0|1,0,0]=3 301 B6R0.2 CC(=O)CC(C)=O XJ0505 [1,1,0,0,0,0|1,0,0]=3 302 B6R0.2 CC(=O)CC(C)C LQ0378 [1,1,0,0,0,0|1,0,0]=3 303 B6R0.2 CC(=O)NC(C)=O XJ1199 [1,1,0,0,0,0|2,0,0]=4 304 B6R0.2 CC(=O)OC(C)Br LQ5001 [1,1,0,0,0,0|2,0,0]=4 305 B6R0.2 CC(=O)OC(C)C LQ0385 [1,1,0,0,0,0|2,0,0]=4 306 B6R0.2 CC(=O)\C=C(/C)N XJ1576 [1,1,0,0,0,0|1,0,1]=4 307 B6R0.2 CC(=O)\C=C(/C)[O-] LL2811 [1,1,0,0,0,0|1,0,1]=4 308 B6R0.2 CC(=O)\C=C(\C)[O-] JZ5312 [1,1,0,0,0,0|1,0,1]=4 309 B6R0.2 CC(=O)\C=C(\C)[O-] LL1065 [1,1,0,0,0,0|1,0,1]=4 310 B6R0.2 CC(=O)\C=C(\C)[O-] LQ3492 [1,1,0,0,0,0|1,0,1]=4 311 B6R0.2 CC(=O)\C=C(\C)[O-] XJ4055 [1,1,0,0,0,0|1,0,1]=4 312 B6R0.2 CC(=O)\C=C(\C)[O-] XJ4174 [1,1,0,0,0,0|1,0,1]=4 313 B6R0.2 CC(Br)CC(=O)O JZ2085 [1,1,0,0,0,0|1,0,0]=3 314 B6R0.2 CC(C)=CC(=O)O XJ0940 [1,1,0,0,0,0|1,0,1]=4 315 B6R0.2 CC(C)CC(=O)O XJ0871 [1,1,0,0,0,0|1,0,0]=3 316 B6R0.2 CC(C)CC(N)=O XJ0939 [1,1,0,0,0,0|2,0,0]=4 317 B6R0.2 CC(N)CC(=O)O JZ1398 [1,1,0,0,0,0|1,0,0]=3 318 B6R0.2 CC(O)CC(=O)O LL0657 [1,1,0,0,0,0|1,0,0]=3 319 B6R0.2 CC(O)CC(=O)[O-] LQ0611 [1,1,0,0,0,0|1,0,1]=4 320 B6R0.2 CC(O)CC(=O)[O-] YH53256 [1,1,0,0,0,0|1,0,1]=4 321 B6R0.2 CN(C)CC(=O)Cl CJ3040 [1,1,0,0,0,0|2,0,0]=4 322 B6R0.2 C[C@@H](N)CC(=O)O HL2631 [1,1,0,0,0,0|1,0,0]=3 323 B6R0.2 C[C@H](N)CC(=O)O HL2630 [1,1,0,0,0,0|1,0,0]=3 324 B6R0.2 C[C@H](N)CC(=O)O LQ5428 [1,1,0,0,0,0|1,0,0]=3 325 B6R0.2 C[C@H](N)CC(=O)O YH57972 [1,1,0,0,0,0|1,0,0]=3 326 B6R0.2 C[C@H](N)CC(=O)O YH66623 [1,1,0,0,0,0|1,0,0]=3 327 B6R0.2 C[S+](C)CC(=O)[O-] LQ2769 [1,1,0,0,0,0|0,0,2]=4 328 B6R0.2 O=C(O)C[N+](=O)[O-] YH10730 [1,1,0,0,0,0|2,0,0]=4 329 B6R0.3 C=C[C@@H](N)C(=O)O YH05396 [1,1,0,0,0,0|1,0,1]=4 330 B6R0.3 C=C[C@H](N)C(=O)O YH15079 [1,1,0,0,0,0|1,0,1]=4 331 B6R0.3 CC(=O)C(C)CO HL2533 [1,1,0,0,0,0|2,0,0]=4 332 B6R0.3 CC(CBr)C(=O)O RT17689 [1,1,0,0,0,0|2,0,0]=4 333 B6R0.3 CC(CN)C(=O)O JZ1399 [1,1,0,0,0,0|2,0,0]=4 334 B6R0.3 CC(CN)C(=O)O RT5016 [1,1,0,0,0,0|2,0,0]=4 335 B6R0.3 CC(CN)C(=O)O YH46231 [1,1,0,0,0,0|2,0,0]=4 336 B6R0.3 CC(CO)C(=O)O RT16856 [1,1,0,0,0,0|2,0,0]=4 337 B6R0.3 CCC(C)C(=O)Cl LT2056 [1,1,0,0,0,0|2,0,0]=4 338 B6R0.3 CCC(C)C(=O)[O-] LL2514 [1,1,0,0,0,0|1,0,1]=4 339 B6R0.3 CCC(Cl)C(=O)O HL2688 [1,1,0,0,0,0|1,0,0]=3 340 B6R0.3 CCC(Cl)C(N)=O XJ3322 [1,1,0,0,0,0|2,0,0]=4 341 B6R0.3 CCC(N)C(=O)O JZ1396 [1,1,0,0,0,0|1,0,0]=3 342 B6R0.3 CCC(N)C(=O)O JZ1397 [1,1,0,0,0,0|1,0,0]=3 343 B6R0.3 CCC(O)C(=O)[O-] JZ5280 [1,1,0,0,0,0|1,0,1]=4 344 B6R0.3 CCC(S)C(C)=O LL1144 [1,1,0,0,0,0|1,0,0]=3 345 B6R0.3 CC[C@@H](Br)C(=O)O RT0003 [1,1,0,0,0,0|1,0,0]=3 346 B6R0.3 CC[C@@H](C)C(=O)O RT0213 [1,1,0,0,0,0|1,0,0]=3 347 B6R0.3 CC[C@@H](N)C(=O)O JZ1364 [1,1,0,0,0,0|1,0,0]=3 348 B6R0.3 CC[C@H](N)C(N)=O LQ3256 [1,1,0,0,0,0|2,0,0]=4 349 B6R0.3 CC[C@H](N)C(N)=O LX2937 [1,1,0,0,0,0|2,0,0]=4 350 B6R0.3 COC(=O)C(C)=O LT7441 [1,1,0,0,0,0|0,1,1]=4 351 B6R0.3 CON(C)C(C)=O LL1390 [1,1,0,0,0,0|1,1,0]=4 352 B6R0.3 C\C=C(/C)C(=O)O RT0199 [1,1,0,0,0,0|1,0,1]=4 353 B6R0.3 C\C=C(/C)C(C)=O LL0992 [1,1,0,0,0,0|1,0,1]=4 354 B6R0.3 C\C=C(\C)C(=O)O LX1016 [1,1,0,0,0,0|1,0,1]=4 355 B6R0.3 NC(CCl)C(=O)O RT4761 [1,1,0,0,0,0|2,0,0]=4 356 B6R0.3 NC(CO)C(=O)O JZ1426 [1,1,0,0,0,0|2,0,0]=4 357 B6R0.3 NCC(N)C(=O)O HL1942 [1,1,0,0,0,0|2,0,0]=4 358 B6R0.3 NC[C@H](O)C(=O)O LX3228 [1,1,0,0,0,0|2,0,0]=4 359 B6R0.3 N[C@@H](CO)C(=O)O JZ0405 [1,1,0,0,0,0|2,0,0]=4 360 B6R0.3 N[C@@H](CS)C(=O)O JZ0515 [1,1,0,0,0,0|2,0,0]=4 361 B6R0.3 N[C@@H](CS)C(=O)O JZ0516 [1,1,0,0,0,0|2,0,0]=4 362 B6R0.3 N[C@@H](CS)C(=O)O JZ1611 [1,1,0,0,0,0|2,0,0]=4 363 B6R0.3 N[C@H](CO)C(=O)O JZ1445 [1,1,0,0,0,0|2,0,0]=4 364 B6R0.3 N[C@H](CS)C(=O)O JZ1381 [1,1,0,0,0,0|2,0,0]=4 365 B6R0.3 N[C@H](CS)C(=O)O JZ1382 [1,1,0,0,0,0|2,0,0]=4 366 B6R0.3 N[C@H](CS)C(=O)O JZ1384 [1,1,0,0,0,0|2,0,0]=4 367 B6R0.3 O=C(O)C(O)CCl RT1118 [1,1,0,0,0,0|2,0,0]=4 368 B6R0.3 O=C(O)C(O)CS RT17775 [1,1,0,0,0,0|2,0,0]=4 369 B6R0.3 O=CC(F)C(=O)O RT1091 [1,1,0,0,0,0|2,0,0]=4 370 B6R0.3 [C@H](N)(CC)C(=O)O LX2077 [1,1,0,0,0,0|1,0,0]=3 371 B6R0.4 C#CCOC(C)=O HL0247 [1,1,0,0,0,0|1,0,1]=4 372 B6R0.4 C=CCCC(=O)O YH08846 [1,1,0,0,0,0|1,0,1]=4 373 B6R0.4 C=CCCC(C)=O LQ0437 [1,1,0,0,0,0|1,0,1]=4 374 B6R0.4 C=CCOC(C)=O HL0108 [1,1,0,0,0,0|1,0,1]=4 375 B6R0.4 CC#CCC(=O)O RT17532 [1,1,0,0,0,0|1,0,0]=3 376 B6R0.4 CC(=O)NCCCl JZ3076 [1,1,0,0,0,0|2,0,0]=4 377 B6R0.4 CC(=O)NCCN HL0561 [1,1,0,0,0,0|2,0,0]=4 378 B6R0.4 CC(=O)OCCBr LQ1516 [1,1,0,0,0,0|2,0,0]=4 379 B6R0.4 CCC#CC(=O)O RT17589 [1,1,0,0,0,0|1,0,1]=4 380 B6R0.4 CCCCC(=O)[O-] RT0478 [1,1,0,0,0,0|1,0,1]=4 381 B6R0.4 CCCCC(N)=O HL0242 [1,1,0,0,0,0|2,0,0]=4 382 B6R0.4 CCCNC(C)=O JZ2722 [1,1,0,0,0,0|1,0,0]=3 383 B6R0.4 CCCNC(N)=O HL0246 [1,1,0,0,0,0|2,0,0]=4 384 B6R0.4 CCCOC(N)=O RT1458 [1,1,0,0,0,0|2,0,0]=4 385 B6R0.4 CCOCC(=O)Cl JZ4848 [1,1,0,0,0,0|1,1,0]=4 386 B6R0.4 COCCC(=O)O LQ2190 [1,1,0,0,0,0|0,1,0]=3 387 B6R0.4 CO\C=C\C(C)=O LQ2718 [1,1,0,0,0,0|0,1,1]=4 388 B6R0.4 CSCCC(=O)Cl XJ3231 [1,1,0,0,0,0|1,0,0]=3 389 B6R0.4 CSCCC(C)=O LT2666 [1,1,0,0,0,0|0,0,0]=2 390 B6R0.4 NCCCC(=O)O CJ3094 [1,1,0,0,0,0|1,0,0]=3 391 B6R0.4 NCCCC(N)=O RT0435 [1,1,0,0,0,0|2,0,0]=4 392 B6R0.4 O=C(Cl)CCCBr LQ1513 [1,1,0,0,0,0|2,0,0]=4 393 B6R0.4 O=C(O)CCCBr JZ2086 [1,1,0,0,0,0|1,0,0]=3 394 B6R0.4 O=C(O)CCCS RT19786 [1,1,0,0,0,0|1,0,0]=3 395 B6R0.4 O=C(O)\C=C\CBr LT3163 [1,1,0,0,0,0|1,0,1]=4 396 B6R0.4 O=C(O)\C=C\CCl YH66283 [1,1,0,0,0,0|1,0,1]=4 397 B6R0.4 O=C(O)\C=C\CO RT13448 [1,1,0,0,0,0|1,0,1]=4 398 B6R0.4 O=C([O-])CNCO JZ1760 [1,1,0,0,0,0|1,0,1]=4 399 B6R0.4 O=CNCC(=O)O HL2274 [1,1,0,0,0,0|1,0,1]=4 400 B6R0.5 CCCS(=O)(=O)O JZ2673 [1,1,0,0,0,0|2,0,0]=4 401 B6R0.5 CNCP(=O)(O)O RT4702 [1,1,0,0,0,0|2,0,0]=4 402 B6R0.6 CCCCOCC HL0289 [1,1,0,0,0,0|1,0,1]=4 403 B6R0.6 CCCCOCCl LT4489 [1,1,0,0,0,0|1,0,1]=4 404 B6R0.6 CCCCSCC JZ4067 [1,1,0,0,0,0|1,0,1]=4 405 B6R0.6 CCC\C=C/CO LQ1528 [1,1,0,0,0,0|2,0,0]=4 406 B6R0.6 CCOCCOC LQ2802 [1,1,0,0,0,0|0,1,1]=4 407 B6R0.6 CCSCSCC RT19812 [1,1,0,0,0,0|2,0,0]=4 408 B6R0.6 CC\C=C\CCC HL0123 [1,1,0,0,0,0|2,0,0]=4 409 B6R0.6 CC\C=C\OCC LQ1533 [1,1,0,0,0,0|1,0,1]=4 410 B6R0.6 CSCCCSC LQ4459 [1,1,0,0,0,0|0,1,1]=4 411 B6R0.6 C\C=C\CCCO XJ3000 [1,1,0,0,0,0|2,0,0]=4 412 B6R0.6 C\C=C\SCCC YH55419 [1,1,0,0,0,0|2,0,0]=4 413 B6R0.8 CCP(=O)(Cl)CC XJ1551 [1,1,0,0,0,0|2,0,0]=4 414 B6R0.8 CCS(=O)(=O)CC LQ1119 [1,1,0,0,0,0|2,0,0]=4 415 B6R0.8 CCS(=O)(=O)OC LT2073 [1,1,0,0,0,0|1,0,0]=3 416 B6R0.8 COP(=O)(Cl)OC RT1350 [1,1,0,0,0,0|1,1,0]=4 417 B6R0.8 COP(=O)(O)OC LQ1431 [1,1,0,0,0,0|1,1,0]=4 418 B6R0.8 COP(=O)([O-])OC RT1339 [1,1,0,0,0,0|1,1,0]=4 419 B6R0.8 COP(C)(=O)OC XJ1313 [1,1,0,0,0,0|1,1,0]=4 420 B6R0.8 COS(=O)(=O)OC LL0089 [1,1,0,0,0,0|1,1,0]=4 421 B6R0.9 CCN(C=O)CC LQ1209 [1,1,0,0,0,0|2,0,0]=4 422 B6R0.9 COC(C=O)OC LQ5229 [1,1,0,0,0,0|0,1,1]=4 423 B6R0.9 C\N=C(/NC)SC RT4830 [1,1,0,0,0,0|2,0,0]=4 424 B8R0.2 COC(=O)C(=O)C(C)Br RT18729 [0,2,0,0,0,0|1,0,1]=4 425 B8R0.2 COC(=O)[C@@H](N)C(C)C LT7524 [0,2,0,0,0,0|1,0,0]=3 426 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O HL2513 [0,2,0,0,0,0|1,0,0]=3 427 B8R0.2 COC(=O)[C@H](N)[C@H](C)O LT7528 [0,2,0,0,0,0|1,0,0]=3 428 B8R0.5 CC(C)OC(=O)CC#N XJ3859 [0,2,0,0,0,0|2,0,0]=4 429 B8R0.5 CC(C)OC(=O)OCCl LT5932 [0,2,0,0,0,0|2,0,0]=4 430 B8R0.5 CCNC(=O)CC(C)=O RT17389 [0,2,0,0,0,0|2,0,0]=4 431 B8R0.5 CCOC(=O)C=C(C)C JZ4058 [0,2,0,0,0,0|1,0,1]=4 432 B8R0.5 CCOC(=O)CC(=O)O LQ1646 [0,2,0,0,0,0|2,0,0]=4 433 B8R0.5 CCOC(=O)CC(=O)[O-] RT16410 [0,2,0,0,0,0|2,0,0]=4 434 B8R0.5 CCOC(=O)CC(C)=O JZ0311 [0,2,0,0,0,0|1,0,0]=3 435 B8R0.5 CCOC(=O)CC(C)O HL2936 [0,2,0,0,0,0|1,0,0]=3 436 B8R0.5 CCOC(=O)CC(N)=O XJ1561 [0,2,0,0,0,0|2,0,0]=4 437 B8R0.5 CCOC(=O)CC(N)=S YH32982 [0,2,0,0,0,0|2,0,0]=4 438 B8R0.5 CCOC(=O)CN(C)C LT7396 [0,2,0,0,0,0|1,0,0]=3 439 B8R0.5 CCOC(=O)C[N+](=O)[O-] HL0228 [0,2,0,0,0,0|2,0,0]=4 440 B8R0.5 CCOC(=O)OC(C)I YH19442 [0,2,0,0,0,0|2,0,0]=4 441 B8R0.5 CCOC(=O)\C=C(/C)N LQ3251 [0,2,0,0,0,0|1,0,1]=4 442 B8R0.19 CCC(=O)CC(=O)OC LT5551 [0,2,0,0,0,0|1,0,0]=3 443 B8R0.19 COC(=O)CC(=O)CCl XJ5114 [0,2,0,0,0,0|1,0,0]=3 444 B8R0.19 COC(=O)CC(=O)OC LQ0408 [0,2,0,0,0,0|0,1,0]=3 445 B8R0.19 COC(=O)CN(C)N=O RT1192 [0,2,0,0,0,0|1,0,0]=3 446 B8R0.19 COC(=O)C[C@H](O)CBr YH93213 [0,2,0,0,0,0|1,0,0]=3 447 B8R0.24 COC(=O)CC(C)(C)C XJ3591 [0,2,0,0,0,0|1,0,0]=3 448 B8R0.1 C=CCOC(=O)CC#N XJ3861 [0,2,0,0,0,0|2,0,0]=4 449 B8R0.1 CCCC(=O)OCSC XJ6296 [0,2,0,0,0,0|1,0,0]=3 450 B8R0.1 CCCOC(=O)CCC XJ0331 [0,2,0,0,0,0|1,0,0]=3 451 B8R0.1 CCCOC(=O)OCCl RT17526 [0,2,0,0,0,0|1,0,0]=3 452 B8R0.1 CCOC(=O)CCCBr LT5161 [0,2,0,0,0,0|1,0,0]=3 453 B8R0.1 CCOC(=O)CCCN JZ3049 [0,2,0,0,0,0|1,0,0]=3 454 B8R0.1 CCOC(=O)CCSC LT5684 [0,2,0,0,0,0|0,0,0]=2 455 B8R0.1 CCOC(=O)COCCl RT0554 [0,2,0,0,0,0|0,1,0]=3 456 B8R0.1 CCOC(=O)NCCBr RT0086 [0,2,0,0,0,0|2,0,0]=4 457 B8R0.1 CCOC(=O)NCCCl YH11214 [0,2,0,0,0,0|2,0,0]=4 458 B8R0.1 CCOC(=O)\C=C\CBr LT2980 [0,2,0,0,0,0|1,0,1]=4 459 B8R0.1 CCOCC(=O)OCC LQ1457 [0,2,0,0,0,0|0,1,0]=3 460 B8R0.3 CCCC(Br)C(=O)OC JZ5299 [0,2,0,0,0,0|1,0,0]=3 461 B8R0.3 CCC[C@H](N)C(=O)OC YH07449 [0,2,0,0,0,0|1,0,0]=3 462 B8R0.3 CCOC(=O)C(Br)CBr LT5069 [0,2,0,0,0,0|2,0,0]=4 463 B8R0.3 CCOC(=O)C(Br)CC LL0944 [0,2,0,0,0,0|1,0,0]=3 464 B8R0.3 CCOC(=O)C(C)OC RT0257 [0,2,0,0,0,0|0,1,0]=3 465 B8R0.3 CCOC(=O)C(N)C#N YH54556 [0,2,0,0,0,0|2,0,0]=4 466 B8R0.3 CCOC(=O)C(N)CO YH58945 [0,2,0,0,0,0|2,0,0]=4 467 B8R0.3 CCOC(=O)C(O)CCl RT1135 [0,2,0,0,0,0|2,0,0]=4 468 B8R0.3 CCOC(=O)[C@@H](N)CO LQ4499 [0,2,0,0,0,0|2,0,0]=4 469 B8R0.3 CCOC(=O)[C@@H](N)CS JZ0417 [0,2,0,0,0,0|2,0,0]=4 470 B8R0.3 CCOC(=O)[C@H](N)CS JZ1383 [0,2,0,0,0,0|2,0,0]=4 471 B8R0.3 COC(=O)C(Br)CCBr LL1241 [0,2,0,0,0,0|1,0,0]=3 472 B8R0.3 COC(=O)[C@H](N)CCCl YH46879 [0,2,0,0,0,0|1,0,0]=3 473 B8R0.6 CCCCCC(=O)CC HL1322 [0,2,0,0,0,0|2,0,0]=4 474 B8R0.6 CCCCCC(=O)OC HL1324 [0,2,0,0,0,0|1,0,0]=3 475 B8R0.6 CCC\C=C\C(=O)OC JZ1988 [0,2,0,0,0,0|1,0,0]=3 476 B8R0.6 COC(=O)CCCC=O YH09376 [0,2,0,0,0,0|1,0,0]=3 477 B8R0.6 COC(=O)CCCCCl XJ4043 [0,2,0,0,0,0|1,0,0]=3 478 B8R0.6 COC(=O)CCCCO RT18638 [0,2,0,0,0,0|1,0,0]=3 479 B8R0.6 COC(=O)CCN=C=S LQ4144 [0,2,0,0,0,0|1,0,1]=4 480 B8R0.6 COC(=O)COCCCl XJ6460 [0,2,0,0,0,0|0,1,0]=3 481 B8R0.8 CCCOC(=O)[C@H](C)O LQ5281 [0,2,0,0,0,0|2,0,0]=4 482 B8R0.9 CCC(=O)OCC(C)C XJ0923 [0,2,0,0,0,0|2,0,0]=4 483 B8R0.9 COC(=O)CCC(=O)O LQ2566 [0,2,0,0,0,0|1,0,1]=4 484 B8R0.9 COC(=O)CNC(C)=O RT4975 [0,2,0,0,0,0|1,0,0]=3 485 B8R0.9 COC(=O)COC(=O)[O-] LT5321 [0,2,0,0,0,0|0,1,1]=4 486 B8R0.14 CCCC(=O)C(C)(C)C HL2939 [0,2,0,0,0,0|2,0,0]=4 487 B8R0.13 C#CC(C)(C)C(=O)OC RT0524 [0,2,0,0,0,0|1,0,1]=4 488 B8R0.13 COC(=O)[C@@](C)(O)CO RT0014 [0,2,0,0,0,0|2,0,0]=4 489 B8R0.20 COC(=O)\C(=N\O)SC RT0057 [0,2,0,0,0,0|0,0,1]=3 490 B8R0.31 CCCP(=O)(OC)OC RT1336 [0,2,0,0,0,0|2,0,0]=4 491 B6R1.2 CC1=NCCC1 XJ1415 [1,0,0,1,0,0|2,0,0]=4 492 B6R1.2 O=C1C=CCC1 LQ1544 [1,0,0,1,0,0|1,0,1]=4 493 B6R1.2 O=C1C=CCO1 XJ0818 [1,0,0,1,0,0|1,0,1]=4 494 B6R1.2 O=C1CCCN1 RT14155 [1,0,0,1,0,0|2,0,0]=4 495 B6R1.2 O=C1CCCO1 YH98377 [1,0,0,1,0,0|1,0,0]=3 496 B6R1.2 O=C1CCCS1 HL0571 [1,0,0,1,0,0|1,1,0]=4 497 B6R1.2 O=C1CCNC1 HL2616 [1,0,0,1,0,0|1,0,0]=3 498 B6R1.2 O=C1CCNC1 YH98366 [1,0,0,1,0,0|1,0,0]=3 499 B6R1.2 O=C1CCOC1 LQ4327 [1,0,0,1,0,0|0,1,0]=3 500 B6R1.2 O=C1CCSC1 JZ1778 [1,0,0,1,0,0|0,0,0]=2 501 B6R1.2 O=C1CO[Pt]O1 LX2640 [1,0,0,1,0,0|1,1,0]=4 502 B6R1.2 O=C1NCCO1 LT6610 [1,0,0,1,0,0|2,0,0]=4 503 B6R1.2 O=C1OCCO1 LL0243 [1,0,0,1,0,0|2,0,0]=4 504 B6R1.2 O[C@@H]1CCSC1 LT5798 [1,0,0,1,0,0|0,0,2]=4 505 B6R1.2 O[C@H]1CCSC1 LT5717 [1,0,0,1,0,0|0,0,2]=4 506 B6R1.5 C=C1CC(=O)O1 JZ0310 [1,0,0,1,0,0|1,0,1]=4 507 B6R1.5 CC1CC(=O)O1 HL2455 [1,0,0,1,0,0|1,0,0]=3 508 B6R1.11 CC(=O)C1CC1 LT4698 [1,0,0,1,0,0|1,0,0]=3 509 B6R1.11 CC(=O)C1CO1 YH01735 [1,0,0,1,0,0|0,1,0]=3 510 B6R1.11 CC(=O)N1CC1 RT15034 [1,0,0,1,0,0|2,0,0]=4 511 B6R1.11 NC(=O)C1CC1 YH10544 [1,0,0,1,0,0|2,0,0]=4 512 B6R1.11 NC(=O)C1CO1 RT17350 [1,0,0,1,0,0|1,1,0]=4 513 B6R1.11 O=C(O)C1CO1 LX3011 [1,0,0,1,0,0|0,1,0]=3 514 B6R1.1 C1=CCCCC1 LL0447 [1,0,0,1,0,0|2,0,0]=4 515 B6R1.1 C1=CCOCC1 RT15029 [1,0,0,1,0,0|1,1,0]=4 516 B6R1.1 C1=COCCC1 JZ1390 [1,0,0,1,0,0|1,0,1]=4 517 B6R1.1 C1COCCN1 YH20292 [1,0,0,1,0,0|1,0,1]=4 518 B6R1.1 C1COCCO1 XJ5344 [1,0,0,1,0,0|0,1,1]=4 519 B6R1.1 C1COCCO1 XJ5710 [1,0,0,1,0,0|0,1,1]=4 520 B6R1.1 C1CSCCS1 XJ0886 [1,0,0,1,0,0|0,1,1]=4 521 B6R1.1 C1CSCSC1 XJ0885 [1,0,0,1,0,0|2,0,0]=4 522 B8R1.1 C=CC1COC(=O)O1 XJ2668 [0,1,0,1,0,0|1,0,1]=4 523 B8R1.1 NCC1COC(=O)N1 RT4368 [0,1,0,1,0,0|2,0,0]=4 524 B8R1.4 CC1=CC(=O)CCC1 JZ4467 [0,1,0,1,0,0|2,0,0]=4 525 B8R1.4 CC1CCCC(=O)O1 LQ1481 [0,1,0,1,0,0|1,0,0]=3 526 B8R1.4 C[C@H]1CC(=O)CCO1 YH66361 [0,1,0,1,0,0|2,0,0]=4 527 B8R1.4 NC1CCCC(=O)C1 YH35862 [0,1,0,1,0,0|2,0,0]=4 528 B8R1.4 NC1CCNC(=O)C1 JZ2737 [0,1,0,1,0,0|2,0,0]=4 529 B8R1.4 O=C1CC(O)CCN1 HL4116 [0,1,0,1,0,0|2,0,0]=4 530 B8R1.4 O=C1COCC(=O)C1 LX3297 [0,1,0,1,0,0|2,0,0]=4 531 B8R1.4 O=C1CSCC(=O)O1 XJ2411 [0,1,0,1,0,0|0,0,1]=3 532 B8R1.18 CC1=C(C)OC(=O)O1 RT14592 [0,1,0,1,0,0|2,0,0]=4 533 B8R1.18 CC1=CC(=O)OC1O LT3256 [0,1,0,1,0,0|1,0,1]=4 534 B8R1.18 CC1=NN(C)C(=O)C1 HL2323 [0,1,0,1,0,0|2,0,0]=4 535 B8R1.18 CC1CC(=O)OC1=O LT7128 [0,1,0,1,0,0|1,0,1]=4 536 B8R1.18 CC1CC(=O)OC1=O XJ2618 [0,1,0,1,0,0|1,0,1]=4 537 B8R1.18 CN1CC(=O)OC1=O RT17690 [0,1,0,1,0,0|1,0,1]=4 538 B8R1.51 CC1(C)COC(=O)N1 LT5107 [0,1,0,1,0,0|2,0,0]=4 539 B8R1.51 CC1(C)COC(=O)O1 RT14540 [0,1,0,1,0,0|2,0,0]=4 540 B8R1.83 COC(=O)C1OC1C RT15027 [0,1,0,1,0,0|0,1,0]=3 541 B8R1.2 O=CC1=CCCCC1 JZ4462 [0,1,0,1,0,0|2,0,0]=4 542 B8R1.3 CC1=CCC(=O)CC1 RT16462 [0,1,0,1,0,0|2,0,0]=4 543 B8R1.3 CC1CCC(=O)CC1 HL0070 [0,1,0,1,0,0|2,0,0]=4 544 B8R1.3 CN1CCC(=O)CC1 RT15013 [0,1,0,1,0,0|2,0,0]=4 545 B8R1.3 O=C1CCC(O)CC1 LQ3627 [0,1,0,1,0,0|2,0,0]=4 546 B8R1.3 O=C1CC[C@@H](O)CN1 YH21770 [0,1,0,1,0,0|2,0,0]=4 547 B8R1.3 O=C1CC[C@@H](O)CN1 YH43352 [0,1,0,1,0,0|2,0,0]=4 548 B8R1.3 O=C1CC[C@H](O)CN1 YH48824 [0,1,0,1,0,0|2,0,0]=4 549 B8R1.5 CC1CCCCC1=O XJ1009 [0,1,0,1,0,0|2,0,0]=4 550 B8R1.5 CC1CNCCC1=O YH08115 [0,1,0,1,0,0|2,0,0]=4 551 B8R1.5 NC1CCCNC1=O YH33632 [0,1,0,1,0,0|2,0,0]=4 552 B8R1.5 NN1CCCCC1=O YH54161 [0,1,0,1,0,0|2,0,0]=4 553 B8R1.5 NN1CCCOC1=O RT4104 [0,1,0,1,0,0|2,0,0]=4 554 B8R1.5 O=C1CCCCC1=O XJ1356 [0,1,0,1,0,0|2,0,0]=4 555 B8R1.5 O=C1CCCCC1Br LX2735 [0,1,0,1,0,0|2,0,0]=4 556 B8R1.5 O=C1CCCCC1Cl LQ1480 [0,1,0,1,0,0|2,0,0]=4 557 B8R1.5 O=C1CCCCC1F LQ1350 [0,1,0,1,0,0|2,0,0]=4 558 B8R1.22 O=C1CCCCCC1 LT4672 [0,1,0,1,0,0|2,0,0]=4 559 B8R1.22 O=C1CCCNCC1 XJ5502 [0,1,0,1,0,0|2,0,0]=4 560 B8R1.22 O=C1COCCOC1 YH51929 [0,1,0,1,0,0|0,1,0]=3 561 B8R1.38 COC(=O)C1CNC1 YH20266 [0,1,0,1,0,0|1,0,0]=3 562 B8R1.50 CC1CSC(C)C1=O RT4653 [0,1,0,1,0,0|1,0,0]=3 563 B8R1.50 CN1C(=O)CCC1O RT14805 [0,1,0,1,0,0|2,0,0]=4 564 B8R1.37 CCOC(=O)C1CC1 HL2819 [0,1,0,1,0,0|1,0,0]=3 565 B8R1.8 CSCC1=CC=CO1 LT5048 [0,1,0,1,0,0|1,0,1]=4 566 B8R1.11 CCC1CCCC1=O XJ2821 [0,1,0,1,0,0|2,0,0]=4 567 B8R1.11 CCN1CCCC1=O YH50862 [0,1,0,1,0,0|2,0,0]=4 568 B8R1.39 COC(=O)C1(N)CC1 RT5082 [0,1,0,1,0,0|1,0,0]=3 569 B8R1.39 COC(=O)C1(N)CC1 YH00987 [0,1,0,1,0,0|1,0,0]=3 570 B8R1.39 COC(=O)C1(O)CC1 RT17524 [0,1,0,1,0,0|1,0,0]=3 571 B8R1.72 O=S1(=O)CCCCO1 HL0926 [0,1,0,1,0,0|2,0,0]=4