0 B5R0.2 BrCCCCBr RT17667 [0,0,0,0,0,0|2,0,0]=2 1 B5R0.2 BrC\C=C\CBr LT4968 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.2 C#CCCCBr RT0013 [0,0,0,0,0,0|1,0,2]=3 3 B5R0.2 C#CCCCC LQ1326 [0,0,0,0,0,0|1,0,1]=2 4 B5R0.2 C#CCCCO XJ2908 [0,0,0,0,0,0|0,0,2]=2 5 B5R0.2 C#CCCCS RT16516 [0,0,0,0,0,0|0,1,2]=3 6 B5R0.2 C#C\C=C\CO JZ2763 [0,0,0,0,0,0|0,0,4]=4 7 B5R0.2 C=CCCC=C HL0118 [0,0,0,0,0,0|1,0,3]=4 8 B5R0.2 C=CCCCBr XJ1587 [0,0,0,0,0,0|1,0,2]=3 9 B5R0.2 C=CC\C=C\C HL0119 [0,0,0,0,0,0|1,0,3]=4 10 B5R0.2 CCC#CCBr RT0546 [0,0,0,0,0,0|1,0,2]=3 11 B5R0.2 CCCCC#N LL0427 [0,0,0,0,0,0|1,0,1]=2 12 B5R0.2 CCCCCI HL0274 [0,0,0,0,0,0|1,0,0]=1 13 B5R0.2 CCCCNC LL0434 [0,0,0,0,0,0|2,0,0]=2 14 B5R0.2 CCCCSC HL0277 [0,0,0,0,0,0|2,0,0]=2 15 B5R0.2 CCCC[SnH]=O LQ5214 [0,0,0,0,0,0|1,0,1]=2 16 B5R0.2 CCCN=C=O LL0443 [0,0,0,0,0,0|1,0,2]=3 17 B5R0.2 CCCN=C=S HL0278 [0,0,0,0,0,0|1,1,1]=3 18 B5R0.2 CCCOC=O LL0440 [0,0,0,0,0,0|1,0,2]=3 19 B5R0.2 CCCOCCl JZ2364 [0,0,0,0,0,0|2,0,0]=2 20 B5R0.2 CCCSC#N LQ2617 [0,0,0,0,0,0|2,0,1]=3 21 B5R0.2 CCCSCC LT5403 [0,0,0,0,0,0|2,0,0]=2 22 B5R0.2 CCNCCO LL0439 [0,0,0,0,0,0|1,0,0]=1 23 B5R0.2 CCNNCC LQ3339 [0,0,0,0,0,0|3,0,0]=3 24 B5R0.2 CCOCCBr HL0120 [0,0,0,0,0,0|2,0,0]=2 25 B5R0.2 CCOCCCl HL0279 [0,0,0,0,0,0|2,0,0]=2 26 B5R0.2 CCOCCO LL0444 [0,0,0,0,0,0|1,0,0]=1 27 B5R0.2 CCO\C=C\Cl RT17648 [0,0,0,0,0,0|2,0,2]=4 28 B5R0.2 CC\C=C\CC JZ3712 [0,0,0,0,0,0|1,0,2]=3 29 B5R0.2 CNCCNC LL0436 [0,0,0,0,0,0|3,0,0]=3 30 B5R0.2 CNCCOC LQ4938 [0,0,0,0,0,0|3,0,0]=3 31 B5R0.2 COCCC#N LL0433 [0,0,0,0,0,0|2,0,1]=3 32 B5R0.2 COCCC=O YH51649 [0,0,0,0,0,0|1,0,2]=3 33 B5R0.2 COCCCCl LQ4914 [0,0,0,0,0,0|2,0,0]=2 34 B5R0.2 COCCCN LT2986 [0,0,0,0,0,0|2,0,0]=2 35 B5R0.2 CSCCC=O LT3092 [0,0,0,0,0,0|1,0,2]=3 36 B5R0.2 CSCCCN XJ2622 [0,0,0,0,0,0|2,0,0]=2 37 B5R0.2 CSCCCO XJ0883 [0,0,0,0,0,0|1,0,0]=1 38 B5R0.2 CSC\C=N\O LQ3457 [0,0,0,0,0,0|2,0,1]=3 39 B5R0.2 C\C=C\CCC XJ2577 [0,0,0,0,0,0|1,0,2]=3 40 B5R0.2 ClCCCCI XJ3625 [0,0,0,0,0,0|2,0,0]=2 41 B5R0.2 ClCCOCCl HL0847 [0,0,0,0,0,0|3,0,0]=3 42 B5R0.2 ClC\C=C/CCl LT6210 [0,0,0,0,0,0|2,0,2]=4 43 B5R0.2 ClC\C=C\CCl LL0426 [0,0,0,0,0,0|2,0,2]=4 44 B5R0.2 ICCCCI HL0276 [0,0,0,0,0,0|2,0,0]=2 45 B5R0.2 N#CCCCBr XJ2830 [0,0,0,0,0,0|2,0,1]=3 46 B5R0.2 NCCCCCl JZ1120 [0,0,0,0,0,0|2,0,0]=2 47 B5R0.2 NCCCCN LL0428 [0,0,0,0,0,0|2,0,0]=2 48 B5R0.2 NCCCCO XJ3835 [0,0,0,0,0,0|1,0,0]=1 49 B5R0.2 NOCCCS RT0541 [0,0,0,0,0,0|2,1,0]=3 50 B5R0.2 O=C=NCCCl LT6514 [0,0,0,0,0,0|2,0,2]=4 51 B5R0.2 O=CCCC=O YH11511 [0,0,0,0,0,0|1,0,3]=4 52 B5R0.2 OCC#CCCl JZ3715 [0,0,0,0,0,0|1,0,2]=3 53 B5R0.2 OCCCCCl LQ1521 [0,0,0,0,0,0|1,0,0]=1 54 B5R0.2 OCCCCF RT1165 [0,0,0,0,0,0|1,0,0]=1 55 B5R0.2 OCCOCCl RT1169 [0,0,0,0,0,0|2,0,0]=2 56 B5R0.2 OC\C=C\CBr RT1108 [0,0,0,0,0,0|1,0,2]=3 57 B5R0.2 S=C=NCCBr HL0884 [0,0,0,0,0,0|2,1,1]=4 58 B5R0.2 S=C=NCCCl JZ2873 [0,0,0,0,0,0|2,1,1]=4 59 B4R0.2 C#CCCC HL0250 [1,0,0,0,0,0|0,0,2]=3 60 B4R0.2 C#CCCO LT6746 [1,0,0,0,0,0|0,0,2]=3 61 B4R0.2 C#CCNC RT0490 [1,0,0,0,0,0|1,0,2]=4 62 B4R0.2 C=CCCBr LQ2822 [1,0,0,0,0,0|1,0,2]=4 63 B4R0.2 C=CCCN LQ2198 [1,0,0,0,0,0|1,0,2]=4 64 B4R0.2 C=CCOC HL0257 [1,0,0,0,0,0|1,0,2]=4 65 B4R0.2 CC#CCO XJ1336 [1,0,0,0,0,0|0,0,2]=3 66 B4R0.2 CCCCN LQ2553 [1,0,0,0,0,0|1,0,0]=2 67 B4R0.2 CCCCS LL0387 [1,0,0,0,0,0|0,1,0]=2 68 B4R0.2 CCCC[O-] HL2476 [1,0,0,0,0,0|0,0,1]=2 69 B4R0.2 CCCC[O-] LQ4485 [1,0,0,0,0,0|0,0,1]=2 70 B4R0.2 CCC[Mg]Br LQ1517 [1,0,0,0,0,0|2,0,0]=3 71 B4R0.2 CCC[Mg]Cl XJ2093 [1,0,0,0,0,0|2,0,0]=3 72 B4R0.2 CCC[Zn-]Br HL3580 [1,0,0,0,0,0|2,0,0]=3 73 B4R0.2 CCOC=N LQ3955 [1,0,0,0,0,0|2,0,1]=4 74 B4R0.2 CCOC=O LL0396 [1,0,0,0,0,0|1,0,2]=4 75 B4R0.2 CCOCC LL1197 [1,0,0,0,0,0|1,0,0]=2 76 B4R0.2 CCOCC XJ5008 [1,0,0,0,0,0|1,0,0]=2 77 B4R0.2 CCSC#N XJ0959 [1,0,0,0,0,0|2,0,1]=4 78 B4R0.2 CCSSC LQ4240 [1,0,0,0,0,0|2,0,0]=3 79 B4R0.2 CC[AlH3+]CC LL0219 [1,0,0,0,0,0|1,0,0]=2 80 B4R0.2 CC[N-]CC RT4825 [1,0,0,0,0,0|1,0,0]=2 81 B4R0.2 CC[NH2+]CC XJ6105 [1,0,0,0,0,0|1,0,0]=2 82 B4R0.2 CC[Se]CC RT0534 [1,0,0,0,0,0|1,0,0]=2 83 B4R0.2 CNCCCl RT4724 [1,0,0,0,0,0|2,0,0]=3 84 B4R0.2 CNCCCl YH54353 [1,0,0,0,0,0|2,0,0]=3 85 B4R0.2 CNCCN LL0389 [1,0,0,0,0,0|2,0,0]=3 86 B4R0.2 COCC#N JZ4756 [1,0,0,0,0,0|2,0,1]=4 87 B4R0.2 COCCN LL0392 [1,0,0,0,0,0|2,0,0]=3 88 B4R0.2 COCCO XJ3502 [1,0,0,0,0,0|1,0,0]=2 89 B4R0.2 CSCC=O JZ5555 [1,0,0,0,0,0|1,0,2]=4 90 B4R0.2 CSCCO JZ2661 [1,0,0,0,0,0|1,0,0]=2 91 B4R0.2 CSSSC LT5322 [1,0,0,0,0,0|3,0,0]=4 92 B4R0.2 C\C=C/CO YH00287 [1,0,0,0,0,0|0,0,2]=3 93 B4R0.2 C\C=C\CC XJ1213 [1,0,0,0,0,0|0,0,2]=3 94 B4R0.2 C\C=C\CCl HL0110 [1,0,0,0,0,0|1,0,2]=4 95 B4R0.2 C\C=C\CN YH07653 [1,0,0,0,0,0|1,0,2]=4 96 B4R0.2 ClCCCI JZ3062 [1,0,0,0,0,0|2,0,0]=3 97 B4R0.2 FCCCBr SY0223 [1,0,0,0,0,0|2,0,0]=3 98 B4R0.2 N#CCCBr JZ2023 [1,0,0,0,0,0|2,0,1]=4 99 B4R0.2 N#CCCO RT1105 [1,0,0,0,0,0|1,0,1]=3 100 B4R0.2 NCCCBr HL2839 [1,0,0,0,0,0|2,0,0]=3 101 B4R0.2 NCCCCl LT6768 [1,0,0,0,0,0|2,0,0]=3 102 B4R0.2 NCCON RT0317 [1,0,0,0,0,0|3,0,0]=4 103 B4R0.2 NNCCO LT2306 [1,0,0,0,0,0|2,0,0]=3 104 B4R0.2 OCCCBr HL0249 [1,0,0,0,0,0|1,0,0]=2 105 B4R0.2 OCCCI HL0254 [1,0,0,0,0,0|1,0,0]=2 106 B4R0.2 OCCCO XJ0879 [1,0,0,0,0,0|1,0,0]=2 107 B4R0.2 SCCCS LL0388 [1,0,0,0,0,0|1,1,0]=3 108 B6R0.1 BrCCC(Br)CBr LQ4943 [0,1,0,0,0,0|2,0,0]=3 109 B6R0.1 C#CC(C)CCC LQ5005 [0,1,0,0,0,0|1,0,1]=3 110 B6R0.1 C#CC(O)CCC XJ0311 [0,1,0,0,0,0|1,0,1]=3 111 B6R0.1 C(Cl)CC(=O)OC LT5092 [0,1,0,0,0,0|2,0,1]=4 112 B6R0.1 C=CC(N)CCO YH91593 [0,1,0,0,0,0|0,0,2]=3 113 B6R0.1 CCC(=O)CSC JZ4808 [0,1,0,0,0,0|2,0,1]=4 114 B6R0.1 CCC(C)CC=O JZ5060 [0,1,0,0,0,0|0,0,2]=3 115 B6R0.1 CCC(C)CCO HL0061 [0,1,0,0,0,0|0,0,0]=1 116 B6R0.1 CCC(C)CCO LL2797 [0,1,0,0,0,0|0,0,0]=1 117 B6R0.1 CCC(C)CCO LQ4221 [0,1,0,0,0,0|0,0,0]=1 118 B6R0.1 CCCC(=O)CC HL0062 [0,1,0,0,0,0|1,0,1]=3 119 B6R0.1 CCCC(=O)NN JZ2316 [0,1,0,0,0,0|2,0,1]=4 120 B6R0.1 CCCC(=O)OC XJ1144 [0,1,0,0,0,0|2,0,1]=4 121 B6R0.1 CCCC(=O)SC XJ2150 [0,1,0,0,0,0|2,0,1]=4 122 B6R0.1 CCCC(Br)CBr JZ2283 [0,1,0,0,0,0|1,0,0]=2 123 B6R0.1 CCCC(C)C#N YH11272 [0,1,0,0,0,0|1,0,1]=3 124 B6R0.1 CCCC(C)CC HL0060 [0,1,0,0,0,0|1,0,0]=2 125 B6R0.1 CCC\C(N)=N\O XJ4957 [0,1,0,0,0,0|1,0,1]=3 126 B6R0.1 CCOC(=O)CBr JZ0369 [0,1,0,0,0,0|2,0,1]=4 127 B6R0.1 CCOC(=O)CN JZ1544 [0,1,0,0,0,0|2,0,1]=4 128 B6R0.1 CCOC(=O)NO HL0063 [0,1,0,0,0,0|2,0,1]=4 129 B6R0.1 CCOC(=O)[13CH2]N RT5563 [0,1,0,0,0,0|2,0,1]=4 130 B6R0.1 CCO\C(C)=N\O JZ3459 [0,1,0,0,0,0|2,0,1]=4 131 B6R0.1 CCSC(=O)CC LT5718 [0,1,0,0,0,0|2,0,1]=4 132 B6R0.1 CNCC(O)CO LT2424 [0,1,0,0,0,0|1,0,0]=2 133 B6R0.1 COC(=O)CCN LT4189 [0,1,0,0,0,0|2,0,1]=4 134 B6R0.1 COC(=O)CCS JZ2165 [0,1,0,0,0,0|1,1,1]=4 135 B6R0.1 COCC(O)CCl HL2667 [0,1,0,0,0,0|2,0,0]=3 136 B6R0.1 COCC(O)CO LT2370 [0,1,0,0,0,0|1,0,0]=2 137 B6R0.1 COC[C@@H](N)CO LX2569 [0,1,0,0,0,0|1,0,0]=2 138 B6R0.1 CSC(C)CC=O LT2625 [0,1,0,0,0,0|1,0,2]=4 139 B6R0.1 N#CC[C@H](O)CCl LQ5539 [0,1,0,0,0,0|2,0,1]=4 140 B6R0.1 N[C@H](CS)CCS RT1463 [0,1,0,0,0,0|1,1,0]=3 141 B6R0.1 O=C(CBr)NCO RT1446 [0,1,0,0,0,0|2,0,1]=4 142 B6R0.1 O=C(CCl)NCO HL2402 [0,1,0,0,0,0|2,0,1]=4 143 B6R0.1 OCC[C@@H](O)CO YH14636 [0,1,0,0,0,0|1,0,0]=2 144 B6R0.1 OCC[C@H](O)CO LQ5089 [0,1,0,0,0,0|1,0,0]=2 145 B6R0.4 C#CCCC(C)C JZ1939 [0,1,0,0,0,0|1,0,1]=3 146 B6R0.4 C=CCCC(=O)O YH08846 [0,1,0,0,0,0|0,0,3]=4 147 B6R0.4 C=CCCC(C)=O LQ0437 [0,1,0,0,0,0|1,0,2]=4 148 B6R0.4 C=CCCC(C)C JZ2300 [0,1,0,0,0,0|1,0,1]=3 149 B6R0.4 CC#CCC(=O)O RT17532 [0,1,0,0,0,0|0,0,3]=4 150 B6R0.4 CC(=O)NCCCl JZ3076 [0,1,0,0,0,0|2,0,1]=4 151 B6R0.4 CC(=O)NCCN HL0561 [0,1,0,0,0,0|2,0,1]=4 152 B6R0.4 CC(=O)OCCBr LQ1516 [0,1,0,0,0,0|2,0,1]=4 153 B6R0.4 CC(Br)CCCBr HL0239 [0,1,0,0,0,0|1,0,0]=2 154 B6R0.4 CC(C)=CCCBr HL2172 [0,1,0,0,0,0|1,0,2]=4 155 B6R0.4 CC(C)CCC=O RT0502 [0,1,0,0,0,0|0,0,2]=3 156 B6R0.4 CC(C)CCCBr HL0240 [0,1,0,0,0,0|1,0,0]=2 157 B6R0.4 CC(C)CN=C=S HL0107 [0,1,0,0,0,0|1,1,1]=4 158 B6R0.4 CC(C)COC=O XJ0953 [0,1,0,0,0,0|1,0,2]=4 159 B6R0.4 CC(C)OCCO LQ0441 [0,1,0,0,0,0|1,0,0]=2 160 B6R0.4 CC(N)CCCO RT0123 [0,1,0,0,0,0|0,0,0]=1 161 B6R0.4 CCC#CC(=O)O RT17589 [0,1,0,0,0,0|0,0,3]=4 162 B6R0.4 CCC#CC(C)O LT2389 [0,1,0,0,0,0|0,0,2]=3 163 B6R0.4 CCCCC(=O)[O-] RT0478 [0,1,0,0,0,0|0,0,2]=3 164 B6R0.4 CCCCC(C)Br HL2516 [0,1,0,0,0,0|1,0,0]=2 165 B6R0.4 CCCCC(N)=O HL0242 [0,1,0,0,0,0|0,0,2]=3 166 B6R0.4 CCCC[Sn](=O)S LQ4511 [0,1,0,0,0,0|1,0,1]=3 167 B6R0.4 CCCNC(C)=O JZ2722 [0,1,0,0,0,0|1,0,2]=4 168 B6R0.4 CCCNC(N)=O HL0246 [0,1,0,0,0,0|1,0,2]=4 169 B6R0.4 CCCNC(N)=S LQ1515 [0,1,0,0,0,0|1,1,1]=4 170 B6R0.4 CCCOC(N)=O RT1458 [0,1,0,0,0,0|1,0,2]=4 171 B6R0.4 CCCSC(C)C HL2844 [0,1,0,0,0,0|2,0,0]=3 172 B6R0.4 CCOCC(=O)Cl JZ4848 [0,1,0,0,0,0|1,0,2]=4 173 B6R0.4 CN(C)CCCBr LQ5309 [0,1,0,0,0,0|2,0,0]=3 174 B6R0.4 CN(C)CCCBr YH08472 [0,1,0,0,0,0|2,0,0]=3 175 B6R0.4 CN(C)CCCCl HL0729 [0,1,0,0,0,0|2,0,0]=3 176 B6R0.4 CN(C)CCCCl HL2943 [0,1,0,0,0,0|2,0,0]=3 177 B6R0.4 CN(C)CCCCl LQ0440 [0,1,0,0,0,0|2,0,0]=3 178 B6R0.4 CN(C)CCCN RT1449 [0,1,0,0,0,0|2,0,0]=3 179 B6R0.4 CN(C)CCCO LT2968 [0,1,0,0,0,0|1,0,0]=2 180 B6R0.4 CNCCN(C)C XJ0598 [0,1,0,0,0,0|3,0,0]=4 181 B6R0.4 COCCC(=O)O LQ2190 [0,1,0,0,0,0|1,0,1]=3 182 B6R0.4 COCCC(C)O LT2442 [0,1,0,0,0,0|1,0,0]=2 183 B6R0.4 CSCCC(=O)Cl XJ3231 [0,1,0,0,0,0|1,0,2]=4 184 B6R0.4 CSCCC(C)=O LT2666 [0,1,0,0,0,0|1,0,2]=4 185 B6R0.4 NCCCC(=O)O CJ3094 [0,1,0,0,0,0|1,0,1]=3 186 B6R0.4 NCCCC(N)=O RT0435 [0,1,0,0,0,0|1,0,2]=4 187 B6R0.4 O=C(Cl)CCCBr LQ1513 [0,1,0,0,0,0|1,0,2]=4 188 B6R0.4 O=C(O)CCCBr JZ2086 [0,1,0,0,0,0|1,0,1]=3 189 B6R0.4 O=C(O)CCCS RT19786 [0,1,0,0,0,0|1,0,1]=3 190 B6R0.4 O=C([O-])CNCO JZ1760 [0,1,0,0,0,0|2,0,1]=4 191 B6R0.4 O=[N+]([O-])NCCO RT0372 [0,1,0,0,0,0|3,0,0]=4 192 B6R0.6 BrCCNCCBr RT17682 [0,1,0,0,0,0|2,0,0]=3 193 B6R0.6 BrCCOCCBr HL2958 [0,1,0,0,0,0|2,0,0]=3 194 B6R0.6 C#CCCCC#C JZ1985 [0,1,0,0,0,0|1,0,2]=4 195 B6R0.6 C#CCCCCC HL0285 [0,1,0,0,0,0|1,0,0]=2 196 B6R0.6 C#CCCCCO LQ1526 [0,1,0,0,0,0|0,0,1]=2 197 B6R0.6 C#CCOCOC LT2103 [0,1,0,0,0,0|1,0,2]=4 198 B6R0.6 C=CCCCCCl LQ1525 [0,1,0,0,0,0|1,0,1]=3 199 B6R0.6 C=CCSSCC LT5765 [0,1,0,0,0,0|2,0,1]=4 200 B6R0.6 CCCC#CCO XJ1342 [0,1,0,0,0,0|0,0,1]=2 201 B6R0.6 CCCCCC#N HL0286 [0,1,0,0,0,0|1,0,0]=2 202 B6R0.6 CCCCCCCl HL1956 [0,1,0,0,0,0|1,0,0]=2 203 B6R0.6 CCCCCCI JZ4066 [0,1,0,0,0,0|1,0,0]=2 204 B6R0.6 CCCCCCO XJ0385 [0,1,0,0,0,0|0,0,0]=1 205 B6R0.6 CCCCCCS XJ0387 [0,1,0,0,0,0|0,1,0]=2 206 B6R0.6 CCCCCNC LT5645 [0,1,0,0,0,0|1,0,0]=2 207 B6R0.6 CCCCC[Mg]Cl JZ2964 [0,1,0,0,0,0|1,0,0]=2 208 B6R0.6 CCCCN=C=S HL0124 [0,1,0,0,0,0|0,1,1]=3 209 B6R0.6 CCCCOCC HL0289 [0,1,0,0,0,0|1,0,0]=2 210 B6R0.6 CCCCOCCl LT4489 [0,1,0,0,0,0|1,0,0]=2 211 B6R0.6 CCCCSC#N HL0290 [0,1,0,0,0,0|1,0,1]=3 212 B6R0.6 CCCCSCC JZ4067 [0,1,0,0,0,0|1,0,0]=2 213 B6R0.6 CCCNCCC RT1163 [0,1,0,0,0,0|1,0,0]=2 214 B6R0.6 CCCSSCC LT5405 [0,1,0,0,0,0|2,0,0]=3 215 B6R0.6 CCCSSSC JZ1910 [0,1,0,0,0,0|2,1,0]=4 216 B6R0.6 CCC\C=C/CO LQ1528 [0,1,0,0,0,0|0,0,1]=2 217 B6R0.6 CCC\C=C\C=O LQ3146 [0,1,0,0,0,0|0,0,3]=4 218 B6R0.6 CCNCCC#N RT4893 [0,1,0,0,0,0|1,0,1]=3 219 B6R0.6 CCNCCCN HL4191 [0,1,0,0,0,0|1,0,0]=2 220 B6R0.6 CCOCCC#N LQ3792 [0,1,0,0,0,0|1,0,1]=3 221 B6R0.6 CCOCCC#N LT2930 [0,1,0,0,0,0|1,0,1]=3 222 B6R0.6 CCOCCCCl XJ5236 [0,1,0,0,0,0|1,0,0]=2 223 B6R0.6 CCOCCOC LQ2802 [0,1,0,0,0,0|1,0,0]=2 224 B6R0.6 CCSCSCC RT19812 [0,1,0,0,0,0|2,0,0]=3 225 B6R0.6 CCSSSCC JZ2380 [0,1,0,0,0,0|3,0,0]=4 226 B6R0.6 CC\C=C/CCO LT4581 [0,1,0,0,0,0|0,0,1]=2 227 B6R0.6 CC\C=C\CCC HL0123 [0,1,0,0,0,0|1,0,1]=3 228 B6R0.6 CC\C=C\OCC LQ1533 [0,1,0,0,0,0|1,0,2]=4 229 B6R0.6 CNCCCNC XJ0389 [0,1,0,0,0,0|2,0,0]=3 230 B6R0.6 COCCN=C=S LQ4979 [0,1,0,0,0,0|1,1,1]=4 231 B6R0.6 CSCCCSC LQ4459 [0,1,0,0,0,0|1,1,0]=3 232 B6R0.6 C\C=C\CCCO XJ3000 [0,1,0,0,0,0|0,0,1]=2 233 B6R0.6 C\C=C\SCCC YH55419 [0,1,0,0,0,0|1,0,2]=4 234 B6R0.6 ClCCCCCI XJ5888 [0,1,0,0,0,0|1,0,0]=2 235 B6R0.6 ClCCNCCCl LQ1470 [0,1,0,0,0,0|2,0,0]=3 236 B6R0.6 ClCCOCCI YH66175 [0,1,0,0,0,0|2,0,0]=3 237 B6R0.6 ICCCCCI HL0288 [0,1,0,0,0,0|1,0,0]=2 238 B6R0.6 N#CCCCC#N HL1957 [0,1,0,0,0,0|1,0,2]=4 239 B6R0.6 N#CCCCCBr HL2959 [0,1,0,0,0,0|1,0,1]=3 240 B6R0.6 NCCCCCBr RT0436 [0,1,0,0,0,0|1,0,0]=2 241 B6R0.6 NCCCCCN LQ0829 [0,1,0,0,0,0|1,0,0]=2 242 B6R0.6 NCCCCCO HL2296 [0,1,0,0,0,0|0,0,0]=1 243 B6R0.6 NCCNCCN XJ0391 [0,1,0,0,0,0|2,0,0]=3 244 B6R0.6 NCCNCCO JZ0125 [0,1,0,0,0,0|1,0,0]=2 245 B6R0.6 NCCOCCO LQ1534 [0,1,0,0,0,0|1,0,0]=2 246 B6R0.6 O=CCCCC=O LT7833 [0,1,0,0,0,0|0,0,3]=4 247 B6R0.6 O=CCCCC=O YH24624 [0,1,0,0,0,0|0,0,3]=4 248 B6R0.6 O=CCCCCO YH66094 [0,1,0,0,0,0|0,0,1]=2 249 B6R0.6 OCCCCCCl JZ2653 [0,1,0,0,0,0|0,0,0]=1 250 B6R0.6 OCCNCCO LT7673 [0,1,0,0,0,0|1,0,0]=2 251 B6R0.6 OCCOCCCl JZ0962 [0,1,0,0,0,0|1,0,0]=2 252 B6R0.6 OCCSCCO XJ0395 [0,1,0,0,0,0|1,0,0]=2 253 B6R0.6 SCCSCCS JZ2349 [0,1,0,0,0,0|1,1,0]=3 254 B6R1.1 C1=CCCCC1 LL0447 [0,0,0,1,0,0|1,0,1]=3 255 B6R1.1 C1=CCOCC1 RT15029 [0,0,0,1,0,0|0,0,2]=3 256 B6R1.1 C1=COCCC1 JZ1390 [0,0,0,1,0,0|0,0,2]=3 257 B6R1.1 C1CC[NH2+]CC1 HL2776 [0,0,0,1,0,0|1,0,0]=2 258 B6R1.1 C1CNCCN1 JZ0122 [0,0,0,1,0,0|2,0,0]=3 259 B6R1.1 C1CNCCN1 JZ2867 [0,0,0,1,0,0|2,0,0]=3 260 B6R1.1 C1CNCCN1 LQ3756 [0,0,0,1,0,0|2,0,0]=3 261 B6R1.1 C1COCCN1 YH20292 [0,0,0,1,0,0|1,0,0]=2 262 B6R1.1 C1COCCO1 XJ5344 [0,0,0,1,0,0|1,0,0]=2 263 B6R1.1 C1COCCO1 XJ5710 [0,0,0,1,0,0|1,0,0]=2 264 B6R1.1 C1CSCCS1 XJ0886 [0,0,0,1,0,0|1,1,0]=3 265 B6R1.1 C1CSCSC1 XJ0885 [0,0,0,1,0,0|1,1,0]=3 266 B6R1.1 C1OCOCO1 LL0448 [0,0,0,1,0,0|2,0,0]=3 267 B6R1.1 N1CCNCC1 HL1555 [0,0,0,1,0,0|2,0,0]=3 268 B6R1.2 BrC1CCCC1 LL0590 [0,0,0,1,0,0|1,0,0]=2 269 B6R1.2 CC1=NCCC1 XJ1415 [0,0,0,1,0,0|1,0,1]=3 270 B6R1.2 CC1=NCCN1 LL0953 [0,0,0,1,0,0|2,0,1]=4 271 B6R1.2 CC1=NCCO1 XJ1609 [0,0,0,1,0,0|1,0,1]=3 272 B6R1.2 CC1CCCC1 LL0238 [0,0,0,1,0,0|1,0,0]=2 273 B6R1.2 CC1CCCN1 XJ1351 [0,0,0,1,0,0|1,0,0]=2 274 B6R1.2 CC1CCCO1 YH65006 [0,0,0,1,0,0|0,0,0]=1 275 B6R1.2 CC1CCCS1 XJ1945 [0,0,0,1,0,0|0,1,0]=2 276 B6R1.2 CC1CCNC1 YH66261 [0,0,0,1,0,0|2,0,0]=3 277 B6R1.2 CC1N=CCS1 LT2114 [0,0,0,1,0,0|1,1,1]=4 278 B6R1.2 CC1SCCS1 JZ2801 [0,0,0,1,0,0|1,1,0]=3 279 B6R1.2 C[C@@H]1CCCN1 JZ0867 [0,0,0,1,0,0|1,0,0]=2 280 B6R1.2 C[C@H]1CCCN1 HL3677 [0,0,0,1,0,0|1,0,0]=2 281 B6R1.2 C[C@H]1CCNC1 YH66267 [0,0,0,1,0,0|2,0,0]=3 282 B6R1.2 ClC1C=CCC1 LL0239 [0,0,0,1,0,0|1,0,2]=4 283 B6R1.2 ClC1CCCC1 LT4693 [0,0,0,1,0,0|1,0,0]=2 284 B6R1.2 NC1CC=CC1 YH95418 [0,0,0,1,0,0|1,0,2]=4 285 B6R1.2 NC1CCCC1 LT4694 [0,0,0,1,0,0|1,0,0]=2 286 B6R1.2 NC1CCNC1 LL1803 [0,0,0,1,0,0|2,0,0]=3 287 B6R1.2 NC1CCNC1 YH29002 [0,0,0,1,0,0|2,0,0]=3 288 B6R1.2 N[C@@H]1CCNC1 JZ0225 [0,0,0,1,0,0|2,0,0]=3 289 B6R1.2 N[C@@H]1CCOC1 CJ2199 [0,0,0,1,0,0|2,0,0]=3 290 B6R1.2 N[C@H]1CCNC1 JZ0221 [0,0,0,1,0,0|2,0,0]=3 291 B6R1.2 N[C@H]1CCNC1 LT6128 [0,0,0,1,0,0|2,0,0]=3 292 B6R1.2 N[C@H]1CCOC1 XJ6762 [0,0,0,1,0,0|2,0,0]=3 293 B6R1.2 O=C1CCCN1 RT14155 [0,0,0,1,0,0|1,0,2]=4 294 B6R1.2 O=C1CCCO1 YH98377 [0,0,0,1,0,0|1,0,1]=3 295 B6R1.2 O=C1CCCS1 HL0571 [0,0,0,1,0,0|1,0,2]=4 296 B6R1.2 O=C1CCNC1 HL2616 [0,0,0,1,0,0|1,0,2]=4 297 B6R1.2 O=C1CCNC1 YH98366 [0,0,0,1,0,0|1,0,2]=4 298 B6R1.2 O=C1CCOC1 LQ4327 [0,0,0,1,0,0|1,0,2]=4 299 B6R1.2 O=C1CCSC1 JZ1778 [0,0,0,1,0,0|1,0,2]=4 300 B6R1.2 O=C1NCCO1 LT6610 [0,0,0,1,0,0|2,0,1]=4 301 B6R1.2 O=C1OCCO1 LL0243 [0,0,0,1,0,0|2,0,1]=4 302 B6R1.2 O=S1OCCO1 HL2604 [0,0,0,1,0,0|3,0,0]=4 303 B6R1.2 OC1CC=CC1 XJ4083 [0,0,0,1,0,0|0,0,2]=3 304 B6R1.2 OC1CCCO1 RT17572 [0,0,0,1,0,0|1,0,0]=2 305 B6R1.2 OC1CCNC1 HL4806 [0,0,0,1,0,0|1,0,0]=2 306 B6R1.2 OC1CCOC1 XJ0812 [0,0,0,1,0,0|1,0,0]=2 307 B6R1.2 O[C@@H]1CCNC1 HL2373 [0,0,0,1,0,0|1,0,0]=2 308 B6R1.2 O[C@@H]1CCNC1 JZ0855 [0,0,0,1,0,0|1,0,0]=2 309 B6R1.2 O[C@@H]1CCOC1 HL4808 [0,0,0,1,0,0|1,0,0]=2 310 B6R1.2 O[C@@H]1CCSC1 LT5798 [0,0,0,1,0,0|1,0,0]=2 311 B6R1.2 O[C@H]1CCNC1 JZ0222 [0,0,0,1,0,0|1,0,0]=2 312 B6R1.2 O[C@H]1CCNC1 XJ6747 [0,0,0,1,0,0|1,0,0]=2 313 B6R1.2 O[C@H]1CCOC1 HL4807 [0,0,0,1,0,0|1,0,0]=2 314 B6R1.2 O[C@H]1CCSC1 LT5717 [0,0,0,1,0,0|1,0,0]=2 315 B6R1.2 SC1CCCC1 LQ1887 [0,0,0,1,0,0|0,1,0]=2 316 B6R1.2 [Fe]C1CCCC1 HL0728 [0,0,0,1,0,0|1,0,0]=2 317 B6R1.2 [Fe]C1CCCC1 XJ1696 [0,0,0,1,0,0|1,0,0]=2 318 B6R1.3 C(=O)NC1CC1 RT15774 [0,0,0,1,0,0|1,0,2]=4 319 B6R1.3 ICCC1CC1 YH66394 [0,0,0,1,0,0|1,0,0]=2 320 B6R1.3 N#CCC1CC1 YH12245 [0,0,0,1,0,0|1,0,1]=3 321 B6R1.3 NCCN1CC1 YH59500 [0,0,0,1,0,0|2,0,0]=3 322 B6R1.3 NOCC1CC1 YH17345 [0,0,0,1,0,0|2,0,0]=3 323 B6R1.3 OCCN1CC1 JZ4346 [0,0,0,1,0,0|1,0,0]=2 324 B6R1.3 [C@@H]1(COC)CO1 LL1074 [0,0,0,1,0,0|1,0,0]=2 325 B6R1.4 O=C1CCC1Cl RT13553 [0,0,0,1,0,0|1,0,2]=4 326 B6R1.6 BrCC1CCC1 YH39750 [0,0,0,1,0,0|1,0,0]=2 327 B6R1.6 CNC1CNC1 YH49217 [0,0,0,1,0,0|3,0,0]=4 328 B6R1.6 N#CC1CCC1 XJ2664 [0,0,0,1,0,0|1,0,1]=3 329 B6R1.6 NCC1CCC1 JZ2551 [0,0,0,1,0,0|1,0,0]=2 330 B6R1.6 OCC1CCC1 LT4668 [0,0,0,1,0,0|0,0,0]=1 331 B6R1.8 CC1CC1CO JZ2852 [0,0,0,1,0,0|0,0,0]=1 332 B3R0.1 C=CCC HL1334 [2,0,0,0,0,0|0,0,2]=4 333 B3R0.1 C=CCO LT3384 [2,0,0,0,0,0|0,0,2]=4 334 B3R0.1 CCC=S LT2311 [2,0,0,0,0,0|0,1,1]=4 335 B3R0.1 CCCCl XJ0925 [2,0,0,0,0,0|1,0,0]=3 336 B3R0.1 CCON LT7287 [2,0,0,0,0,0|2,0,0]=4 337 B3R0.1 CCSC XJ1178 [2,0,0,0,0,0|1,0,0]=3 338 B3R0.1 CNOC LT1363 [2,0,0,0,0,0|2,0,0]=4 339 B3R0.1 COCCl RT17912 [2,0,0,0,0,0|2,0,0]=4 340 B3R0.1 CSCCl LQ2158 [2,0,0,0,0,0|2,0,0]=4 341 B3R0.1 C\C=N\O LT3638 [2,0,0,0,0,0|1,0,1]=4 342 B3R0.1 ClCCCl XJ5613 [2,0,0,0,0,0|2,0,0]=4 343 B3R0.1 FCCBr XJ1331 [2,0,0,0,0,0|2,0,0]=4 344 B3R0.1 NCCCl XJ1403 [2,0,0,0,0,0|2,0,0]=4 345 B3R0.1 NCCN JZ1006 [2,0,0,0,0,0|2,0,0]=4 346 B3R0.1 NCCN JZ4960 [2,0,0,0,0,0|2,0,0]=4 347 B3R0.1 NCCN LT5412 [2,0,0,0,0,0|2,0,0]=4 348 B3R0.1 NCCN LT7506 [2,0,0,0,0,0|2,0,0]=4 349 B3R0.1 NCCN XJ4257 [2,0,0,0,0,0|2,0,0]=4 350 B3R0.1 NCCO XJ0576 [2,0,0,0,0,0|1,0,0]=3 351 B3R0.1 NCCS LL0054 [2,0,0,0,0,0|1,1,0]=4 352 B3R0.1 NCCS LQ0646 [2,0,0,0,0,0|1,1,0]=4 353 B3R0.1 OCCBr XJ0924 [2,0,0,0,0,0|1,0,0]=3 354 B3R0.1 OCCO LT7654 [2,0,0,0,0,0|1,0,0]=3 355 B3R0.1 [2H]OCC RT1050 [2,0,0,0,0,0|2,0,0]=4 356 B3R0.1 [Li]CCC LQ1980 [2,0,0,0,0,0|1,0,0]=3 357 B3R0.1 [O-]CC[O-] RT16375 [2,0,0,0,0,0|1,0,1]=4 358 B5R0.1 BrCCC(Br)Br YH44143 [1,1,0,0,0,0|2,0,0]=4 359 B5R0.1 C#CCC(C)O LQ2032 [1,1,0,0,0,0|0,0,2]=4 360 B5R0.1 C(Cl)CC(=O)O CJ2142 [1,1,0,0,0,0|1,0,1]=4 361 B5R0.1 C=C(C)OCC LT1730 [1,1,0,0,0,0|1,0,1]=4 362 B5R0.1 C=CCC(C)C LQ1324 [1,1,0,0,0,0|0,0,2]=4 363 B5R0.1 C=CCC(C)O XJ1184 [1,1,0,0,0,0|0,0,2]=4 364 B5R0.1 CC#C[C@H](C)O HL4870 [1,1,0,0,0,0|0,0,2]=4 365 B5R0.1 CC(=O)CCS XJ5155 [1,1,0,0,0,0|0,1,1]=4 366 B5R0.1 CC(Br)CCBr HL1367 [1,1,0,0,0,0|1,0,0]=3 367 B5R0.1 CC(C)=CCO LT3091 [1,1,0,0,0,0|0,0,2]=4 368 B5R0.1 CC(C)CC#N XJ1183 [1,1,0,0,0,0|1,0,1]=4 369 B5R0.1 CC(C)CCCl HL1371 [1,1,0,0,0,0|1,0,0]=3 370 B5R0.1 CC(C)CCI XJ0935 [1,1,0,0,0,0|1,0,0]=3 371 B5R0.1 CC(O)CC=O HL1375 [1,1,0,0,0,0|0,0,2]=4 372 B5R0.1 CCCC(=O)[O-] XJ2982 [1,1,0,0,0,0|0,0,2]=4 373 B5R0.1 CCCC(C)C HL1370 [1,1,0,0,0,0|0,0,0]=2 374 B5R0.1 CCCC(C)C HL4500 [1,1,0,0,0,0|0,0,0]=2 375 B5R0.1 CCCC(N)=O XJ0937 [1,1,0,0,0,0|0,0,2]=4 376 B5R0.1 CCCC(N)=[NH2+] LX2780 [1,1,0,0,0,0|1,0,1]=4 377 B5R0.1 CCC[C@H](C)O LQ4668 [1,1,0,0,0,0|0,0,0]=2 378 B5R0.1 CCC[N+](=O)[O-] JZ5682 [1,1,0,0,0,0|1,0,1]=4 379 B5R0.1 CCC[N+](=O)[O-] LQ0374 [1,1,0,0,0,0|1,0,1]=4 380 B5R0.1 CCNC(C)=O XJ1192 [1,1,0,0,0,0|1,0,1]=4 381 B5R0.1 CCOC(=O)O XJ1147 [1,1,0,0,0,0|1,0,1]=4 382 B5R0.1 CCO[Si](=O)O JZ3510 [1,1,0,0,0,0|1,1,0]=4 383 B5R0.1 CCSC(C)=O HL4138 [1,1,0,0,0,0|1,0,1]=4 384 B5R0.1 CCSC(C)=O XJ1197 [1,1,0,0,0,0|1,0,1]=4 385 B5R0.1 CN(C)CCCl HL2802 [1,1,0,0,0,0|2,0,0]=4 386 B5R0.1 CN(C)CCN HL1382 [1,1,0,0,0,0|2,0,0]=4 387 B5R0.1 CN(C)CCO HL1383 [1,1,0,0,0,0|1,0,0]=3 388 B5R0.1 CN(C)CCS LT4952 [1,1,0,0,0,0|1,1,0]=4 389 B5R0.1 CNCC(=O)O JZ4055 [1,1,0,0,0,0|1,0,1]=4 390 B5R0.1 CNCC(=O)O RT0428 [1,1,0,0,0,0|1,0,1]=4 391 B5R0.1 COCC(C)=O LT7464 [1,1,0,0,0,0|1,0,1]=4 392 B5R0.1 COCC(C)N XJ5266 [1,1,0,0,0,0|1,0,0]=3 393 B5R0.1 COC[C@H](C)N XJ6713 [1,1,0,0,0,0|1,0,0]=3 394 B5R0.1 CSCC(=O)O XJ2185 [1,1,0,0,0,0|1,0,1]=4 395 B5R0.1 C[C@@H](N)CC#N YH66415 [1,1,0,0,0,0|1,0,1]=4 396 B5R0.1 C[C@@H](N)CCO RT0497 [1,1,0,0,0,0|0,0,0]=2 397 B5R0.1 C[C@@H](O)CCO SY0267 [1,1,0,0,0,0|0,0,0]=2 398 B5R0.1 C[C@H](N)CC#N YH66374 [1,1,0,0,0,0|1,0,1]=4 399 B5R0.1 C\C(Cl)=C\CO RT17544 [1,1,0,0,0,0|0,0,2]=4 400 B5R0.1 C\C(I)=C/CO RT17534 [1,1,0,0,0,0|0,0,2]=4 401 B5R0.1 NC(=O)CCO RT17509 [1,1,0,0,0,0|1,0,1]=4 402 B5R0.1 NCCC(=O)O JZ0318 [1,1,0,0,0,0|1,0,1]=4 403 B5R0.1 O=C(O)CCBr HL0088 [1,1,0,0,0,0|1,0,1]=4 404 B5R0.1 O=C(O)CCS SY0092 [1,1,0,0,0,0|1,0,1]=4 405 B5R0.1 O=C([O-])CCO RT1268 [1,1,0,0,0,0|1,0,1]=4 406 B5R0.3 BrCC(Br)CBr LL0220 [1,1,0,0,0,0|2,0,0]=4 407 B5R0.3 C#CC(O)CC HL2704 [1,1,0,0,0,0|0,0,2]=4 408 B5R0.3 C=C(CC)CC XJ1324 [1,1,0,0,0,0|0,0,1]=3 409 B5R0.3 C=CC(C)CC XJ1323 [1,1,0,0,0,0|0,0,2]=4 410 B5R0.3 C=CC(O)CO RT18762 [1,1,0,0,0,0|0,0,2]=4 411 B5R0.3 C=C[C@@H](N)CO YH53874 [1,1,0,0,0,0|0,0,2]=4 412 B5R0.3 C=C[C@H](N)CO LX2169 [1,1,0,0,0,0|0,0,2]=4 413 B5R0.3 CC(CO)CO JZ1881 [1,1,0,0,0,0|1,0,0]=3 414 B5R0.3 CCC(=O)NC JZ4434 [1,1,0,0,0,0|1,0,1]=4 415 B5R0.3 CCC(Br)CC XJ1961 [1,1,0,0,0,0|0,0,0]=2 416 B5R0.3 CCC(C)C=O LL0224 [1,1,0,0,0,0|0,0,2]=4 417 B5R0.3 CCC(C)CBr LQ2987 [1,1,0,0,0,0|1,0,0]=3 418 B5R0.3 CCC(C)CBr LQ3410 [1,1,0,0,0,0|1,0,0]=3 419 B5R0.3 CCC(C)CC LL0223 [1,1,0,0,0,0|0,0,0]=2 420 B5R0.3 CCC(C)CCl LQ1182 [1,1,0,0,0,0|1,0,0]=3 421 B5R0.3 CCC(C)CO LL0587 [1,1,0,0,0,0|0,0,0]=2 422 B5R0.3 CCC(C)NC LQ3344 [1,1,0,0,0,0|1,0,0]=3 423 B5R0.3 CCC(Cl)CCl LQ1184 [1,1,0,0,0,0|1,0,0]=3 424 B5R0.3 CCC(N)CC LQ1186 [1,1,0,0,0,0|0,0,0]=2 425 B5R0.3 CCC(N)CO LL0227 [1,1,0,0,0,0|0,0,0]=2 426 B5R0.3 CCC(S)CS XJ4247 [1,1,0,0,0,0|0,1,0]=3 427 B5R0.3 CCN(C)CC LQ1190 [1,1,0,0,0,0|1,0,0]=3 428 B5R0.3 CCN(O)CC HL2577 [1,1,0,0,0,0|1,0,0]=3 429 B5R0.3 CC[C@@H](C)CO LQ1183 [1,1,0,0,0,0|0,0,0]=2 430 B5R0.3 CC[C@@H](O)CO LQ5013 [1,1,0,0,0,0|0,0,0]=2 431 B5R0.3 CC[C@H](C)CBr LL0949 [1,1,0,0,0,0|1,0,0]=3 432 B5R0.3 CC[C@H](O)CO HL4502 [1,1,0,0,0,0|0,0,0]=2 433 B5R0.3 CC\C(C)=N\O LL0233 [1,1,0,0,0,0|1,0,1]=4 434 B5R0.3 NC(CO)CO LL1303 [1,1,0,0,0,0|1,0,0]=3 435 B5R0.3 NCC(O)CN LQ1188 [1,1,0,0,0,0|2,0,0]=4 436 B5R0.3 NCC(O)CO JZ0486 [1,1,0,0,0,0|1,0,0]=3 437 B5R0.3 NC[C@H](O)CO YH09994 [1,1,0,0,0,0|1,0,0]=3 438 B5R0.3 NC[C@H](O)CO YH45696 [1,1,0,0,0,0|1,0,0]=3 439 B5R0.3 O=C(CO)CO LL1029 [1,1,0,0,0,0|1,0,1]=4 440 B5R0.3 O=C[C@H](O)CO LT7747 [1,1,0,0,0,0|1,0,1]=4 441 B5R0.3 OC(CBr)CBr LL0228 [1,1,0,0,0,0|2,0,0]=4 442 B5R0.3 OC(CCl)CCl LL0229 [1,1,0,0,0,0|2,0,0]=4 443 B5R0.3 OCC(Br)CBr LL0222 [1,1,0,0,0,0|1,0,0]=3 444 B5R0.3 OCC(Br)CO RT0384 [1,1,0,0,0,0|1,0,0]=3 445 B5R0.3 OCC(Cl)CCl LQ1185 [1,1,0,0,0,0|1,0,0]=3 446 B5R0.3 OCC(Cl)CO RT1084 [1,1,0,0,0,0|1,0,0]=3 447 B5R0.3 OCC(O)CBr RT0218 [1,1,0,0,0,0|1,0,0]=3 448 B5R0.3 OCC(O)CCl LL0230 [1,1,0,0,0,0|1,0,0]=3 449 B5R0.3 OCC(O)CI RT1254 [1,1,0,0,0,0|1,0,0]=3 450 B5R0.3 OCC(O)CO LT6375 [1,1,0,0,0,0|1,0,0]=3 451 B5R0.3 OCC(O)CO RT14397 [1,1,0,0,0,0|1,0,0]=3 452 B5R0.3 OCC(O)CO XJ4849 [1,1,0,0,0,0|1,0,0]=3 453 B5R0.3 OCC(O)CS LL0232 [1,1,0,0,0,0|1,0,0]=3 454 B5R0.3 OC[C@H](O)CBr YH33404 [1,1,0,0,0,0|1,0,0]=3 455 B5R0.3 OC[C@H](O)CCl LT5275 [1,1,0,0,0,0|1,0,0]=3 456 B5R0.3 O[13CH2][13CH](O)[13CH2]O RT1008 [1,1,0,0,0,0|1,0,0]=3 457 B7R0.2 CC(C)C[C@@H](N)CO LT4736 [0,2,0,0,0,0|0,0,0]=2 458 B7R0.2 CCC(C)CC(C)C XJ0315 [0,2,0,0,0,0|1,0,0]=3 459 B7R0.2 CCC(N)CC(=O)O YH66442 [0,2,0,0,0,0|0,0,1]=3 460 B7R0.2 CC[C@@H](N)CC(=O)O YH31614 [0,2,0,0,0,0|0,0,1]=3 461 B7R0.2 CC[C@H](C)CC(=O)O LX2881 [0,2,0,0,0,0|0,0,1]=3 462 B7R0.2 CC[C@H](C)CC(=O)O YH39271 [0,2,0,0,0,0|0,0,1]=3 463 B7R0.2 CC[C@H](N)CC(=O)O YH34687 [0,2,0,0,0,0|0,0,1]=3 464 B7R0.2 CN(C)CC(O)CO JZ0329 [0,2,0,0,0,0|1,0,0]=3 465 B7R0.2 COC(=O)C[C@@H](C)O JZ2426 [0,2,0,0,0,0|1,0,1]=4 466 B7R0.2 COC(=O)C[C@H](C)O LQ5263 [0,2,0,0,0,0|1,0,1]=4 467 B7R0.2 NCC(O)CC(=O)O YH66693 [0,2,0,0,0,0|1,0,1]=4 468 B7R0.2 [C@@H](N)(CO)CC(C)C JZ1582 [0,2,0,0,0,0|0,0,0]=2 469 B7R0.3 C#CC(O)CCCC JZ3102 [0,2,0,0,0,0|0,0,0]=2 470 B7R0.3 C#CCOC(C)CO JZ2424 [0,2,0,0,0,0|0,0,2]=4 471 B7R0.3 C=CCC[C@H](O)CCl YH66482 [0,2,0,0,0,0|0,0,2]=4 472 B7R0.3 CCC#CC(O)CC XJ5066 [0,2,0,0,0,0|0,0,2]=4 473 B7R0.3 CCCCC(=O)CC XJ0362 [0,2,0,0,0,0|1,0,0]=3 474 B7R0.3 CCCCC(=O)NC HL3084 [0,2,0,0,0,0|0,0,2]=4 475 B7R0.3 CCCCC(=O)NN LQ4942 [0,2,0,0,0,0|0,0,2]=4 476 B7R0.3 CCCCC(C)CC HL0067 [0,2,0,0,0,0|1,0,0]=3 477 B7R0.3 CCCCC(O)CO RT17609 [0,2,0,0,0,0|0,0,0]=2 478 B7R0.3 CCCC\C(N)=N\O YH13028 [0,2,0,0,0,0|0,0,1]=3 479 B7R0.3 CCCOC(=O)CCl HL2914 [0,2,0,0,0,0|1,0,1]=4 480 B7R0.3 CCCOC(=O)CN LQ3564 [0,2,0,0,0,0|1,0,1]=4 481 B7R0.3 CCOCC(=O)OC RT17745 [0,2,0,0,0,0|1,0,1]=4 482 B7R0.3 CCOCC(O)CCl HL2668 [0,2,0,0,0,0|1,0,0]=3 483 B7R0.3 CC\C(C)=C\CCBr JZ5314 [0,2,0,0,0,0|1,0,1]=4 484 B7R0.3 COC(=O)CCCCl LT5164 [0,2,0,0,0,0|1,0,1]=4 485 B7R0.3 COC(=O)CCCO RT0271 [0,2,0,0,0,0|0,0,1]=3 486 B7R0.3 COC(=O)CCSC LQ3661 [0,2,0,0,0,0|1,0,1]=4 487 B7R0.3 COCCC(=O)OC LQ2522 [0,2,0,0,0,0|1,0,1]=4 488 B7R0.3 COCO[C@@H](C)CO CJ3006 [0,2,0,0,0,0|1,0,0]=3 489 B7R0.3 COCO[C@H](C)CO CJ2789 [0,2,0,0,0,0|1,0,0]=3 490 B7R0.5 CCCC(C)C(=O)Cl LQ2858 [0,2,0,0,0,0|0,0,2]=4 491 B7R0.5 CCCC(C)C(=O)O LL0280 [0,2,0,0,0,0|0,0,1]=3 492 B7R0.5 CCCC(O)C(C)C LQ1202 [0,2,0,0,0,0|1,0,0]=3 493 B7R0.5 CCC[C@H](C)C(=O)O RT0270 [0,2,0,0,0,0|0,0,1]=3 494 B7R0.5 CCC[C@H](N)C(=O)O LT7574 [0,2,0,0,0,0|0,0,1]=3 495 B7R0.5 CCOC(=O)C(C)O HL0374 [0,2,0,0,0,0|1,0,1]=4 496 B7R0.5 CCOC(=O)[C@H](C)O RT17626 [0,2,0,0,0,0|1,0,1]=4 497 B7R0.5 CNCC(N)C(=O)O RT5659 [0,2,0,0,0,0|1,0,1]=4 498 B7R0.5 COCC(Cl)C(=O)O YH49766 [0,2,0,0,0,0|1,0,1]=4 499 B7R0.5 COCC(N)C(=O)O YH43849 [0,2,0,0,0,0|1,0,1]=4 500 B7R0.5 COC[C@@H](N)C(=O)O HL4811 [0,2,0,0,0,0|1,0,1]=4 501 B7R0.5 COC[C@H](N)C(=O)O XJ5093 [0,2,0,0,0,0|1,0,1]=4 502 B7R0.5 CSCC(C)C(=O)O RT5786 [0,2,0,0,0,0|1,0,1]=4 503 B7R0.5 CSC[C@H](N)C(=O)O JZ4436 [0,2,0,0,0,0|1,0,1]=4 504 B7R0.5 NC(CCO)C(=O)O XJ0825 [0,2,0,0,0,0|1,0,1]=4 505 B7R0.5 NCC[C@@H](N)C(=O)O JZ5728 [0,2,0,0,0,0|1,0,1]=4 506 B7R0.5 NCC[C@H](N)C(=O)O LQ1967 [0,2,0,0,0,0|1,0,1]=4 507 B7R0.5 NCC[C@H](O)C(=O)O LT4053 [0,2,0,0,0,0|1,0,1]=4 508 B7R0.5 N[C@@H](CCO)C(=O)O JZ1619 [0,2,0,0,0,0|1,0,1]=4 509 B7R0.5 N[C@H](CCO)C(=O)O JZ2820 [0,2,0,0,0,0|1,0,1]=4 510 B7R0.7 C=CCC(O)CCC JZ2295 [0,2,0,0,0,0|1,0,0]=3 511 B7R0.7 CC(CCBr)CCBr XJ2711 [0,2,0,0,0,0|1,0,0]=3 512 B7R0.7 CC(CCO)CCO XJ2710 [0,2,0,0,0,0|0,0,0]=2 513 B7R0.7 CCCC(=O)OCCl LQ4784 [0,2,0,0,0,0|1,0,1]=4 514 B7R0.7 CCCC(Br)CCC HL0633 [0,2,0,0,0,0|1,0,0]=3 515 B7R0.7 CCCN(C)CCC HL2547 [0,2,0,0,0,0|1,0,0]=3 516 B7R0.7 CCCS(=O)CCC LQ2622 [0,2,0,0,0,0|1,0,0]=3 517 B7R0.7 CCOC(=O)CCCl XJ1154 [0,2,0,0,0,0|1,0,1]=4 518 B7R0.7 CCOC(=O)CCN LT4188 [0,2,0,0,0,0|1,0,1]=4 519 B7R0.7 CCOC(=O)CCS LQ2910 [0,2,0,0,0,0|0,1,1]=4 520 B7R0.7 CN(CCCl)CCCl LQ0036 [0,2,0,0,0,0|2,0,0]=4 521 B7R0.7 CN(CCO)CCO RT1442 [0,2,0,0,0,0|1,0,0]=3 522 B7R0.7 CN(CCO)CCO XJ0326 [0,2,0,0,0,0|1,0,0]=3 523 B7R0.7 COCC(O)COC XJ1152 [0,2,0,0,0,0|1,0,0]=3 524 B7R0.7 C\C=C\C(O)CCC JZ2612 [0,2,0,0,0,0|1,0,1]=4 525 B7R0.7 O=C(CCBr)CCBr YH33973 [0,2,0,0,0,0|1,0,1]=4 526 B7R0.7 O=C(CCCl)CCCl JZ2373 [0,2,0,0,0,0|1,0,1]=4 527 B7R0.10 BrCC(Br)C(Br)CBr LQ1843 [0,2,0,0,0,0|2,0,0]=4 528 B7R0.10 CCC(C)C(N)CO LT7578 [0,2,0,0,0,0|0,0,0]=2 529 B7R0.10 COC(=O)C(Cl)CO LL1708 [0,2,0,0,0,0|1,0,1]=4 530 B7R0.10 COC(=O)[C@@H](C)CO LT7462 [0,2,0,0,0,0|1,0,1]=4 531 B7R0.10 COC(=O)[C@H](N)CO RT5050 [0,2,0,0,0,0|1,0,1]=4 532 B7R0.10 O=C[C@H](O)[C@H](O)CO XJ1003 [0,2,0,0,0,0|1,0,1]=4 533 B7R0.10 OC(CBr)C(O)CBr YH34708 [0,2,0,0,0,0|2,0,0]=4 534 B7R0.10 OC(CS)C(O)CS XJ4944 [0,2,0,0,0,0|1,1,0]=4 535 B7R0.10 OC[C@H](O)[C@H](O)CO LT7467 [0,2,0,0,0,0|1,0,0]=3 536 B7R0.10 O[C@H](CS)[C@@H](O)CS JZ3019 [0,2,0,0,0,0|1,1,0]=4 537 B7R0.11 C=CCC(C)(C)CC YH38506 [0,2,0,0,0,0|1,0,1]=4 538 B7R0.11 CCCC(C)(Cl)CC LQ5130 [0,2,0,0,0,0|1,0,0]=3 539 B7R0.11 CCCC(C)(O)CC LQ1129 [0,2,0,0,0,0|1,0,0]=3 540 B7R0.11 CCS(=O)(=O)CCO HL1909 [0,2,0,0,0,0|1,0,0]=3 541 B7R0.11 COC(C)(C)CCO HL4652 [0,2,0,0,0,0|1,0,0]=3 542 B7R0.11 COCC(C)(O)CCl LT2283 [0,2,0,0,0,0|2,0,0]=4 543 B7R0.12 C=CCC(CO)CO YH22206 [0,2,0,0,0,0|0,0,2]=4 544 B7R0.12 CCCC(CO)CO LT1803 [0,2,0,0,0,0|0,0,0]=2 545 B7R0.12 CCCN(CC)N=O RT17895 [0,2,0,0,0,0|2,0,0]=4 546 B7R0.12 CCN(CC)CCCl XJ1399 [0,2,0,0,0,0|2,0,0]=4 547 B7R0.12 CCN(CC)CCN HL1261 [0,2,0,0,0,0|2,0,0]=4 548 B7R0.12 CCN(CC)CCO HL1262 [0,2,0,0,0,0|1,0,0]=3 549 B7R0.12 CCN(CC)CCO LT5094 [0,2,0,0,0,0|1,0,0]=3 550 B7R0.12 CCN(CC)CCS LT6528 [0,2,0,0,0,0|1,1,0]=4 551 B7R0.4 C(=O)OCCC(C)C LL0422 [0,2,0,0,0,0|0,0,2]=4 552 B7R0.4 C=CCCCC(C)C JZ3497 [0,2,0,0,0,0|1,0,0]=3 553 B7R0.4 CC(=O)SCCCBr RT1374 [0,2,0,0,0,0|1,0,1]=4 554 B7R0.4 CC(C)CCCC=O RT0513 [0,2,0,0,0,0|0,0,1]=3 555 B7R0.4 CC(C)CCCCO RT0516 [0,2,0,0,0,0|0,0,0]=2 556 B7R0.4 CC(C)OCCCN LT2607 [0,2,0,0,0,0|1,0,0]=3 557 B7R0.4 CCCCCC(C)C HL0115 [0,2,0,0,0,0|1,0,0]=3 558 B7R0.4 CCCCCC(C)N JZ2985 [0,2,0,0,0,0|1,0,0]=3 559 B7R0.4 CCCCCC(C)N XJ0515 [0,2,0,0,0,0|1,0,0]=3 560 B7R0.4 CCCCCC(N)=O HL0268 [0,2,0,0,0,0|0,0,1]=3 561 B7R0.4 CCCCC[C@H](C)O JZ2825 [0,2,0,0,0,0|0,0,0]=2 562 B7R0.4 CCCCNC(N)=S LQ1811 [0,2,0,0,0,0|0,1,1]=4 563 B7R0.4 CCCCOC(=S)[S-] XJ1408 [0,2,0,0,0,0|0,1,1]=4 564 B7R0.4 CCCCOC(C)=O HL1469 [0,2,0,0,0,0|0,0,2]=4 565 B7R0.4 CCCCOC(N)=O LT4346 [0,2,0,0,0,0|0,0,2]=4 566 B7R0.4 CCCCO[N+](=O)[O-] RT17647 [0,2,0,0,0,0|1,0,1]=4 567 B7R0.4 CCCCSC(C)=O LQ1519 [0,2,0,0,0,0|0,0,2]=4 568 B7R0.4 CCCNCC(C)O RT1462 [0,2,0,0,0,0|0,0,0]=2 569 B7R0.4 CCC\C=C\C(=O)O JZ4447 [0,2,0,0,0,0|0,0,2]=4 570 B7R0.4 CCNCCN(C)C XJ0516 [0,2,0,0,0,0|2,0,0]=4 571 B7R0.4 CN(C)CCCCN JZ2305 [0,2,0,0,0,0|1,0,0]=3 572 B7R0.4 CNCCCC(=O)O RT0333 [0,2,0,0,0,0|0,0,1]=3 573 B7R0.4 CS(=O)CCCCN RT4961 [0,2,0,0,0,0|1,0,0]=3 574 B7R0.4 C[S@@](=O)CCCCN RT4965 [0,2,0,0,0,0|1,0,0]=3 575 B7R0.4 O=C(Cl)CCCCBr HL2752 [0,2,0,0,0,0|0,0,2]=4 576 B7R0.4 O=C(Cl)CCCCCl LT3549 [0,2,0,0,0,0|0,0,2]=4 577 B7R0.4 O=C(O)CCCCBr JZ0370 [0,2,0,0,0,0|0,0,1]=3 578 B7R0.4 O=C(O)CNCCO RT16423 [0,2,0,0,0,0|1,0,1]=4 579 B7R0.4 O=C([O-])CCCCBr LT3131 [0,2,0,0,0,0|0,0,2]=4 580 B7R0.4 O=C([O-])CCCCO YH65793 [0,2,0,0,0,0|0,0,1]=3 581 B7R0.6 CC(=O)CCC(=O)O RT1110 [0,2,0,0,0,0|0,0,2]=4 582 B7R0.6 CC(=O)CCC(C)C LL0404 [0,2,0,0,0,0|0,0,2]=4 583 B7R0.6 CC(Br)CCC(C)Br LQ4435 [0,2,0,0,0,0|1,0,0]=3 584 B7R0.6 CC(C)CCC(=O)O XJ1215 [0,2,0,0,0,0|0,0,1]=3 585 B7R0.6 CC(C)CCC(C)C HL0113 [0,2,0,0,0,0|1,0,0]=3 586 B7R0.6 CC(C)CCC(C)N RT0214 [0,2,0,0,0,0|1,0,0]=3 587 B7R0.6 CC(C)CCC(C)O HL0260 [0,2,0,0,0,0|0,0,0]=2 588 B7R0.6 CC(O)CCC(C)O JZ2163 [0,2,0,0,0,0|0,0,0]=2 589 B7R0.6 C[S+](C)CCC(=O)O RT0388 [0,2,0,0,0,0|1,0,1]=4 590 B7R0.8 CC(C)(C)OCCO RT17621 [0,2,0,0,0,0|1,0,0]=3 591 B7R0.8 CCCCC(C)(C)Cl JZ2528 [0,2,0,0,0,0|1,0,0]=3 592 B7R0.8 CCCCS(=O)(=O)O JZ1954 [0,2,0,0,0,0|1,0,0]=3 593 B7R0.8 CCCC[N+](C)(C)C XJ4032 [0,2,0,0,0,0|2,0,0]=4 594 B7R0.8 CCCC[Sn](Cl)(Cl)Cl XJ1574 [0,2,0,0,0,0|2,0,0]=4 595 B7R0.8 CCCOC(C)(C)C YH65394 [0,2,0,0,0,0|2,0,0]=4 596 B7R0.8 CS(=O)(=O)SCCO RT17795 [0,2,0,0,0,0|2,0,0]=4 597 B7R0.8 O=P(O)(O)CCCBr YH27349 [0,2,0,0,0,0|2,0,0]=4 598 B7R0.8 O=S(=O)([O-])CCCO JZ2319 [0,2,0,0,0,0|2,0,0]=4 599 B7R0.1 BrCC\C=C\CCBr RT0177 [0,2,0,0,0,0|1,0,1]=4 600 B7R0.1 C#CCCCCC#C XJ1412 [0,2,0,0,0,0|1,0,1]=4 601 B7R0.1 C#CCCCCCC LQ1243 [0,2,0,0,0,0|1,0,0]=3 602 B7R0.1 C#CCCCCCO RT14015 [0,2,0,0,0,0|0,0,0]=2 603 B7R0.1 C=CCCCCC#N HL2868 [0,2,0,0,0,0|1,0,1]=4 604 B7R0.1 C=CCSSCCC LT3401 [0,2,0,0,0,0|1,0,1]=4 605 B7R0.1 CCCC#CCCC JZ1797 [0,2,0,0,0,0|1,0,0]=3 606 B7R0.1 CCCCC#CCO HL0563 [0,2,0,0,0,0|0,0,0]=2 607 B7R0.1 CCCCCCC#N LQ1245 [0,2,0,0,0,0|1,0,0]=3 608 B7R0.1 CCCCCCCC XJ0405 [0,2,0,0,0,0|1,0,0]=3 609 B7R0.1 CCCCCCCCl LQ1244 [0,2,0,0,0,0|1,0,0]=3 610 B7R0.1 CCCCCCCN XJ0408 [0,2,0,0,0,0|1,0,0]=3 611 B7R0.1 CCCCCCCS HL0937 [0,2,0,0,0,0|0,1,0]=3 612 B7R0.1 CCCCCC[Mg]Cl LQ5137 [0,2,0,0,0,0|1,0,0]=3 613 B7R0.1 CCCCCN=C=O JZ2397 [0,2,0,0,0,0|0,0,1]=3 614 B7R0.1 CCCCCNCC JZ5218 [0,2,0,0,0,0|1,0,0]=3 615 B7R0.1 CCCCCON=O LQ0831 [0,2,0,0,0,0|0,0,0]=2 616 B7R0.1 CCCCNCCC LQ4205 [0,2,0,0,0,0|1,0,0]=3 617 B7R0.1 CCCCOCCO XJ0413 [0,2,0,0,0,0|0,0,0]=2 618 B7R0.1 CCCCSCC#N XJ6193 [0,2,0,0,0,0|1,0,0]=3 619 B7R0.1 CCCSSCCC LQ1250 [0,2,0,0,0,0|1,0,0]=3 620 B7R0.1 CCC\C=C/CCC LQ3284 [0,2,0,0,0,0|1,0,0]=3 621 B7R0.1 CCC\C=C/CCO JZ4690 [0,2,0,0,0,0|0,0,0]=2 622 B7R0.1 CCNCCNCC XJ0412 [0,2,0,0,0,0|1,0,0]=3 623 B7R0.1 CCOCCCCCl XJ5238 [0,2,0,0,0,0|1,0,0]=3 624 B7R0.1 CCOCCCCO LT2386 [0,2,0,0,0,0|0,0,0]=2 625 B7R0.1 CC\C=C/CCCO XJ3057 [0,2,0,0,0,0|0,0,0]=2 626 B7R0.1 CC\C=C\C=C\CO RT14062 [0,2,0,0,0,0|0,0,2]=4 627 B7R0.1 COCCOCCCl YH05405 [0,2,0,0,0,0|1,0,0]=3 628 B7R0.1 COCCOCCO XJ0414 [0,2,0,0,0,0|0,0,0]=2 629 B7R0.1 C\C=C\CCCCC XJ0407 [0,2,0,0,0,0|1,0,0]=3 630 B7R0.1 ClCCCCCCI XJ5164 [0,2,0,0,0,0|1,0,0]=3 631 B7R0.1 FCCCCCCBr XJ0714 [0,2,0,0,0,0|1,0,0]=3 632 B7R0.1 ICCCCCCI LQ1246 [0,2,0,0,0,0|1,0,0]=3 633 B7R0.1 N#CCCCCCN XJ2152 [0,2,0,0,0,0|1,0,0]=3 634 B7R0.1 NCCCCCCBr RT0122 [0,2,0,0,0,0|1,0,0]=3 635 B7R0.1 NCCCCCCN RT0396 [0,2,0,0,0,0|1,0,0]=3 636 B7R0.1 NCCCNCCBr YH48383 [0,2,0,0,0,0|1,0,0]=3 637 B7R0.1 NCCCNCCN LQ3660 [0,2,0,0,0,0|1,0,0]=3 638 B7R0.1 NCCCNCCO XJ2715 [0,2,0,0,0,0|0,0,0]=2 639 B7R0.1 NCCCNCCS RT17267 [0,2,0,0,0,0|0,1,0]=3 640 B7R0.1 NCCSSCCN LQ0038 [0,2,0,0,0,0|2,0,0]=4 641 B7R0.1 NCCSSCCN LT4716 [0,2,0,0,0,0|2,0,0]=4 642 B7R0.1 OCCCCCCCl LT3732 [0,2,0,0,0,0|0,0,0]=2 643 B7R0.1 OCCCCCCS HL0924 [0,2,0,0,0,0|0,0,0]=2 644 B7R0.1 OCCCNCCCl RT0430 [0,2,0,0,0,0|0,0,0]=2 645 B7R0.1 OCCSSCCO LQ1989 [0,2,0,0,0,0|1,0,0]=3 646 B7R0.1 OCC\C=C\CCO RT0115 [0,2,0,0,0,0|0,0,1]=3 647 B7R0.1 SCCCCCCS JZ4451 [0,2,0,0,0,0|0,1,0]=3 648 B7R0.1 [N-]=[N+]=NCCCCO RT18776 [0,2,0,0,0,0|1,0,0]=3 649 B5R1.1 C1=COCC1 RT14584 [1,0,0,1,0,0|0,0,2]=4 650 B5R1.1 C1=NCCO1 XJ4908 [1,0,0,1,0,0|1,0,1]=4 651 B5R1.1 C1CCCC1 LT4684 [1,0,0,1,0,0|0,0,0]=2 652 B5R1.1 C1CCCC1 LT5516 [1,0,0,1,0,0|0,0,0]=2 653 B5R1.1 C1CCCC1 XJ1692 [1,0,0,1,0,0|0,0,0]=2 654 B5R1.1 C1CCNC1 JZ1776 [1,0,0,1,0,0|1,0,0]=3 655 B5R1.1 C1CCOC1 JZ5471 [1,0,0,1,0,0|0,0,0]=2 656 B5R1.1 C1CCOC1 LL0399 [1,0,0,1,0,0|0,0,0]=2 657 B5R1.1 C1CCOC1 LQ4465 [1,0,0,1,0,0|0,0,0]=2 658 B5R1.1 C1CNCN1 XJ0880 [1,0,0,1,0,0|2,0,0]=4 659 B5R1.1 C1COCN1 RT14144 [1,0,0,1,0,0|1,0,0]=3 660 B5R1.2 BrC1CCC1 LT7156 [1,0,0,1,0,0|1,0,0]=3 661 B5R1.2 FC1CNC1 RT4119 [1,0,0,1,0,0|2,0,0]=4 662 B5R1.2 FC1CNC1 YH65878 [1,0,0,1,0,0|2,0,0]=4 663 B5R1.2 IC1COC1 YH65509 [1,0,0,1,0,0|2,0,0]=4 664 B5R1.2 NC1COC1 LQ4263 [1,0,0,1,0,0|2,0,0]=4 665 B5R1.2 NC1COC1 YH65543 [1,0,0,1,0,0|2,0,0]=4 666 B5R1.2 O=C1CCC1 LT7155 [1,0,0,1,0,0|0,0,2]=4 667 B5R1.2 OC1CCC1 JZ2141 [1,0,0,1,0,0|0,0,0]=2 668 B5R1.2 OC1CNC1 LQ5145 [1,0,0,1,0,0|1,0,0]=3 669 B5R1.2 OC1CNC1 LX2402 [1,0,0,1,0,0|1,0,0]=3 670 B5R1.2 OC1COC1 JZ3200 [1,0,0,1,0,0|1,0,0]=3 671 B5R1.3 BrCC1CC1 LT6195 [1,0,0,1,0,0|1,0,0]=3 672 B5R1.3 BrCC1CO1 LQ2403 [1,0,0,1,0,0|1,0,0]=3 673 B5R1.3 Br[Mg]C1CC1 XJ4727 [1,0,0,1,0,0|2,0,0]=4 674 B5R1.3 C=CC1CO1 LQ1542 [1,0,0,1,0,0|0,0,2]=4 675 B5R1.3 CNC1CC1 YH13207 [1,0,0,1,0,0|1,0,0]=3 676 B5R1.3 ClCC1CO1 RT15055 [1,0,0,1,0,0|1,0,0]=3 677 B5R1.3 ClC[C@H]1CO1 LQ5216 [1,0,0,1,0,0|1,0,0]=3 678 B5R1.3 N#CC1CO1 RT14822 [1,0,0,1,0,0|1,0,1]=4 679 B5R1.3 NCC1CC1 HL2308 [1,0,0,1,0,0|1,0,0]=3 680 B5R1.3 O=CC1CC1 HL0901 [1,0,0,1,0,0|0,0,2]=4 681 B5R1.3 OCC1CC1 LT7741 [1,0,0,1,0,0|0,0,0]=2 682 B5R1.3 OC[C@@H]1CO1 XJ5771 [1,0,0,1,0,0|1,0,0]=3 683 B5R1.3 [C@H]1(CO)CO1 XJ5900 [1,0,0,1,0,0|1,0,0]=3 684 B5R1.4 CC1OC1C XJ2416 [1,0,0,1,0,0|1,0,0]=3 685 B5R1.4 C[C@@H]1O[C@@H]1C XJ1886 [1,0,0,1,0,0|1,0,0]=3 686 B7R1.1 BrCC1CCCO1 JZ4457 [0,1,0,1,0,0|0,0,0]=2 687 B7R1.1 Br[Mg]C1CCCC1 YH54994 [0,1,0,1,0,0|1,0,0]=3 688 B7R1.1 C#CC1CCCC1 LQ1549 [0,1,0,1,0,0|1,0,0]=3 689 B7R1.1 CCC1=NCCC1 RT14089 [0,1,0,1,0,0|1,0,0]=3 690 B7R1.1 CCC1=NCCO1 XJ4890 [0,1,0,1,0,0|0,0,1]=3 691 B7R1.1 CCN1CCCC1 LQ3265 [0,1,0,1,0,0|1,0,0]=3 692 B7R1.1 CNC1CCOC1 YH51455 [0,1,0,1,0,0|1,0,0]=3 693 B7R1.1 CN[C@@H]1CCNC1 YH33765 [0,1,0,1,0,0|2,0,0]=4 694 B7R1.1 COC1CCCC1 JZ2800 [0,1,0,1,0,0|0,0,0]=2 695 B7R1.1 CO[C@@H]1CCNC1 RT17416 [0,1,0,1,0,0|1,0,0]=3 696 B7R1.1 N#CC1CCCC1 LQ2602 [0,1,0,1,0,0|1,0,0]=3 697 B7R1.1 N#C[C@@H]1CCCN1 XJ6095 [0,1,0,1,0,0|1,0,1]=4 698 B7R1.1 NCC1CCCN1 YH08114 [0,1,0,1,0,0|1,0,0]=3 699 B7R1.1 NCC1CCNC1 YH13177 [0,1,0,1,0,0|1,0,0]=3 700 B7R1.1 O=CC1CCCC1 XJ1419 [0,1,0,1,0,0|0,0,1]=3 701 B7R1.1 O=CC1CCCO1 LX2512 [0,1,0,1,0,0|0,0,1]=3 702 B7R1.1 OCC1CC=CC1 YH65504 [0,1,0,1,0,0|0,0,1]=3 703 B7R1.1 OCC1CCCN1 RT14572 [0,1,0,1,0,0|0,0,0]=2 704 B7R1.1 OCC1CCCO1 YH98620 [0,1,0,1,0,0|0,0,0]=2 705 B7R1.1 OC[C@@H]1CCCN1 LT7573 [0,1,0,1,0,0|0,0,0]=2 706 B7R1.1 OC[C@@H]1CCCN1 LT7642 [0,1,0,1,0,0|0,0,0]=2 707 B7R1.1 OC[C@@H]1CCNC1 LL1852 [0,1,0,1,0,0|0,0,0]=2 708 B7R1.1 OC[C@H]1CCNC1 LL1853 [0,1,0,1,0,0|0,0,0]=2 709 B7R1.2 CC1CCC(=O)C1 XJ1883 [0,1,0,1,0,0|0,0,2]=4 710 B7R1.2 CC1CCC(C)O1 HL0575 [0,1,0,1,0,0|0,0,0]=2 711 B7R1.2 CN1CCC(O)C1 LX2405 [0,1,0,1,0,0|1,0,0]=3 712 B7R1.2 CN1CC[C@@H](N)C1 YH88427 [0,1,0,1,0,0|2,0,0]=4 713 B7R1.2 CN1CC[C@@H](O)C1 YH22686 [0,1,0,1,0,0|1,0,0]=3 714 B7R1.2 CN1CC[C@H](N)C1 YH66272 [0,1,0,1,0,0|2,0,0]=4 715 B7R1.2 CN1CC[C@H](O)C1 XJ6769 [0,1,0,1,0,0|1,0,0]=3 716 B7R1.2 N[C@@H]1CC[C@@H](O)C1 YH65478 [0,1,0,1,0,0|0,0,0]=2 717 B7R1.2 N[C@@H]1CC[C@H](F)C1 RT0640 [0,1,0,1,0,0|1,0,0]=3 718 B7R1.2 N[C@H]1CC[C@@H](O)C1 YH24807 [0,1,0,1,0,0|0,0,0]=2 719 B7R1.2 N[C@H]1CC[C@H](O)C1 YH65948 [0,1,0,1,0,0|0,0,0]=2 720 B7R1.2 O=C1CC(O)CN1 RT4517 [0,1,0,1,0,0|1,0,1]=4 721 B7R1.2 O=C1C[C@@H](O)CN1 RT3914 [0,1,0,1,0,0|1,0,1]=4 722 B7R1.2 O=C1C[C@H](O)CN1 M0400303 [0,1,0,1,0,0|1,0,1]=4 723 B7R1.3 BrC1CCOCC1 YH49891 [0,1,0,1,0,0|0,0,0]=2 724 B7R1.3 CC1=CCCCC1 HL0101 [0,1,0,1,0,0|1,0,0]=3 725 B7R1.3 CC1CCCCC1 LQ0421 [0,1,0,1,0,0|1,0,0]=3 726 B7R1.3 CC1CCCCN1 LQ0427 [0,1,0,1,0,0|1,0,0]=3 727 B7R1.3 CC1CCNCC1 HL0233 [0,1,0,1,0,0|1,0,0]=3 728 B7R1.3 CC1COCCN1 YH00913 [0,1,0,1,0,0|1,0,0]=3 729 B7R1.3 CN1CCNCC1 JZ0117 [0,1,0,1,0,0|2,0,0]=4 730 B7R1.3 CN1CCNCC1 RT14568 [0,1,0,1,0,0|2,0,0]=4 731 B7R1.3 CN1CCOCC1 LT7334 [0,1,0,1,0,0|1,0,0]=3 732 B7R1.3 C[C@@H]1CCCCN1 YH66554 [0,1,0,1,0,0|1,0,0]=3 733 B7R1.3 C[C@@H]1COCCN1 XJ6283 [0,1,0,1,0,0|1,0,0]=3 734 B7R1.3 C[C@@H]1COCCN1 YH65950 [0,1,0,1,0,0|1,0,0]=3 735 B7R1.3 C[C@H]1CCCCN1 JZ2253 [0,1,0,1,0,0|1,0,0]=3 736 B7R1.3 C[C@H]1CCCNC1 HL0232 [0,1,0,1,0,0|1,0,0]=3 737 B7R1.3 C[C@H]1CNCCN1 HL4115 [0,1,0,1,0,0|1,0,0]=3 738 B7R1.3 C[C@H]1CNCCN1 YH16978 [0,1,0,1,0,0|1,0,0]=3 739 B7R1.3 ClC1CCNCC1 XJ2904 [0,1,0,1,0,0|1,0,0]=3 740 B7R1.3 FC1CCNCC1 XJ5827 [0,1,0,1,0,0|1,0,0]=3 741 B7R1.3 IC1CCCCC1 HL0234 [0,1,0,1,0,0|1,0,0]=3 742 B7R1.3 N=C1CCCCN1 LT0382 [0,1,0,1,0,0|1,0,1]=4 743 B7R1.3 NC1CCCCC1 JZ0026 [0,1,0,1,0,0|1,0,0]=3 744 B7R1.3 NC1CCCCC1 LT4681 [0,1,0,1,0,0|1,0,0]=3 745 B7R1.3 NC1CCCCC1 RT1317 [0,1,0,1,0,0|1,0,0]=3 746 B7R1.3 NC1CCCNC1 YH06108 [0,1,0,1,0,0|1,0,0]=3 747 B7R1.3 NC1CCCNC1 YH33541 [0,1,0,1,0,0|1,0,0]=3 748 B7R1.3 NC1CCNCC1 LQ3556 [0,1,0,1,0,0|1,0,0]=3 749 B7R1.3 NC1CCNCC1 LQ4843 [0,1,0,1,0,0|1,0,0]=3 750 B7R1.3 NC1CCOCC1 LT5833 [0,1,0,1,0,0|0,0,0]=2 751 B7R1.3 NC1CCOCC1 YH54791 [0,1,0,1,0,0|0,0,0]=2 752 B7R1.3 NN1CCCCC1 RT4329 [0,1,0,1,0,0|1,0,0]=3 753 B7R1.3 NN1CCCCC1 XJ2051 [0,1,0,1,0,0|1,0,0]=3 754 B7R1.3 N[C@@H]1CCCNC1 YH55144 [0,1,0,1,0,0|1,0,0]=3 755 B7R1.3 N[C@H]1CCCNC1 HL4050 [0,1,0,1,0,0|1,0,0]=3 756 B7R1.3 N[C@H]1CCCNC1 LT0322 [0,1,0,1,0,0|1,0,0]=3 757 B7R1.3 O=C1CCCCC1 LQ0425 [0,1,0,1,0,0|0,0,1]=3 758 B7R1.3 O=C1CCCNC1 YH04125 [0,1,0,1,0,0|0,0,2]=4 759 B7R1.3 O=C1CCCNC1 YH10216 [0,1,0,1,0,0|0,0,2]=4 760 B7R1.3 O=C1CCNCC1 YH00798 [0,1,0,1,0,0|0,0,2]=4 761 B7R1.3 O=C1CCOCC1 XJ5024 [0,1,0,1,0,0|0,0,1]=3 762 B7R1.3 O=C1COCCN1 LQ0428 [0,1,0,1,0,0|1,0,1]=4 763 B7R1.3 O=C1COCCO1 HL2425 [0,1,0,1,0,0|1,0,1]=4 764 B7R1.3 O=C1NCCCO1 YH05298 [0,1,0,1,0,0|1,0,1]=4 765 B7R1.3 O=C1OCCCO1 XJ2200 [0,1,0,1,0,0|1,0,1]=4 766 B7R1.3 OC1C=CCCC1 YH66647 [0,1,0,1,0,0|0,0,1]=3 767 B7R1.3 OC1CCCCN1 LQ5146 [0,1,0,1,0,0|0,0,0]=2 768 B7R1.3 OC1CCCNC1 HL4242 [0,1,0,1,0,0|0,0,0]=2 769 B7R1.3 OC1CCCNC1 LT6809 [0,1,0,1,0,0|0,0,0]=2 770 B7R1.3 OC1CCCOC1 RT0503 [0,1,0,1,0,0|0,0,0]=2 771 B7R1.3 OC1CCCSC1 RT19790 [0,1,0,1,0,0|0,0,0]=2 772 B7R1.3 OC1CCNCC1 RT17686 [0,1,0,1,0,0|0,0,0]=2 773 B7R1.3 OC1CCOCC1 HL2134 [0,1,0,1,0,0|0,0,0]=2 774 B7R1.3 OC1CCOCC1 YH45458 [0,1,0,1,0,0|0,0,0]=2 775 B7R1.3 OC1COCOC1 LL1585 [0,1,0,1,0,0|1,0,0]=3 776 B7R1.3 ON1CCCCC1 LT0352 [0,1,0,1,0,0|0,0,0]=2 777 B7R1.3 O[C@@H]1CCCNC1 LT0319 [0,1,0,1,0,0|0,0,0]=2 778 B7R1.3 O[C@H]1CCCNC1 HL4109 [0,1,0,1,0,0|0,0,0]=2 779 B7R1.3 [C@@H]1(C)CNCCN1 LT6105 [0,1,0,1,0,0|1,0,0]=3 780 B7R1.4 CC1=C(S)CCO1 LT1786 [0,1,0,1,0,0|0,0,2]=4 781 B7R1.4 CC1CCCC1N RT0500 [0,1,0,1,0,0|1,0,0]=3 782 B7R1.4 CC1CCCC1O XJ4791 [0,1,0,1,0,0|0,0,0]=2 783 B7R1.4 CC1CCNC1=O YH49833 [0,1,0,1,0,0|0,0,2]=4 784 B7R1.4 CC1CCOC1=O LQ1890 [0,1,0,1,0,0|0,0,2]=4 785 B7R1.4 CC1OCCC1=O LT1811 [0,1,0,1,0,0|0,0,1]=3 786 B7R1.4 CC1SCCC1=O LT1812 [0,1,0,1,0,0|0,0,2]=4 787 B7R1.4 CN1CCCC1=O RT4374 [0,1,0,1,0,0|0,0,2]=4 788 B7R1.4 CN1CCCC1=O XJ2240 [0,1,0,1,0,0|0,0,2]=4 789 B7R1.4 CN1CCCC1=S LQ3417 [0,1,0,1,0,0|0,1,1]=4 790 B7R1.4 NC1CCCC1O YH93843 [0,1,0,1,0,0|0,0,0]=2 791 B7R1.4 NC1CCOC1=O LT3746 [0,1,0,1,0,0|1,0,1]=4 792 B7R1.4 NC1CCOC1=O LT3981 [0,1,0,1,0,0|1,0,1]=4 793 B7R1.4 N[C@@H]1CCC[C@H]1O LT5725 [0,1,0,1,0,0|0,0,0]=2 794 B7R1.4 N[C@@H]1CCC[C@H]1O RT0409 [0,1,0,1,0,0|0,0,0]=2 795 B7R1.4 N[C@@H]1CCC[C@H]1O YH54046 [0,1,0,1,0,0|0,0,0]=2 796 B7R1.4 N[C@@H]1CCOC1=O LL1835 [0,1,0,1,0,0|1,0,1]=4 797 B7R1.4 N[C@@H]1COC[C@@H]1O RT4250 [0,1,0,1,0,0|1,0,0]=3 798 B7R1.4 N[C@H]1COC[C@H]1O RT4251 [0,1,0,1,0,0|1,0,0]=3 799 B7R1.4 O=C1OCCC1Br LT3313 [0,1,0,1,0,0|1,0,1]=4 800 B7R1.4 O=C1OCCC1O LT6912 [0,1,0,1,0,0|1,0,1]=4 801 B7R1.6 ClCCN1CCC1 YH26565 [0,1,0,1,0,0|1,0,0]=3 802 B7R1.21 CCOC1(O)CC1 YH65469 [0,1,0,1,0,0|2,0,0]=4 803 B7R1.22 N\C(=N/O)C1CC1 LQ4326 [0,1,0,1,0,0|1,0,1]=4 804 B7R1.22 O=C(CBr)C1CC1 YH14275 [0,1,0,1,0,0|1,0,1]=4 805 B7R1.25 CC1(CO)CCO1 YH09979 [0,1,0,1,0,0|1,0,0]=3 806 B7R1.25 CC1(CO)COC1 SY0220 [0,1,0,1,0,0|1,0,0]=3 807 B7R1.7 C=CCCC1CO1 YH22163 [0,1,0,1,0,0|0,0,1]=3 808 B7R1.7 C=CCC[C@H]1CO1 YH66356 [0,1,0,1,0,0|0,0,1]=3 809 B7R1.14 CC1(C)CCCO1 HL0572 [0,1,0,1,0,0|0,0,0]=2 810 B7R1.14 CC1(C)COCN1 LT2687 [0,1,0,1,0,0|2,0,0]=4 811 B7R1.14 CC1(C)OCCO1 JZ2138 [0,1,0,1,0,0|1,0,0]=3 812 B7R1.14 C[N+]1(C)CCCC1 RT4096 [0,1,0,1,0,0|2,0,0]=4 813 B7R1.14 FC1(F)CCNC1 LL2384 [0,1,0,1,0,0|2,0,0]=4 814 B7R1.14 FC1(F)CCNC1 YH65430 [0,1,0,1,0,0|2,0,0]=4 815 B7R1.14 O=S1(=O)CCCC1 JZ0025 [0,1,0,1,0,0|1,0,1]=4 816 B7R1.14 O=S1(=O)CCCO1 RT15692 [0,1,0,1,0,0|2,0,0]=4 817 B7R1.18 O=C(Cl)C1CCC1 HL2843 [0,1,0,1,0,0|0,0,2]=4 818 B7R1.18 O=C(O)C1CCC1 LT4667 [0,1,0,1,0,0|0,0,1]=3 819 B7R1.18 O=C(O)C1CCO1 YH90563 [0,1,0,1,0,0|1,0,1]=4 820 B7R1.18 O=C(O)C1CNC1 RT5032 [0,1,0,1,0,0|1,0,1]=4 821 B7R1.18 O=C(O)C1CNC1 YH21684 [0,1,0,1,0,0|1,0,1]=4 822 B7R1.18 O=C(O)[C@@H]1CCN1 RT5004 [0,1,0,1,0,0|1,0,1]=4 823 B7R1.20 O=C(O)CC1CC1 LQ2859 [0,1,0,1,0,0|0,0,1]=3 824 B7R1.24 C1CCCCCC1 LL0631 [0,1,0,1,0,0|1,0,0]=3 825 B7R1.24 C1CCCNCC1 XJ0396 [0,1,0,1,0,0|1,0,0]=3 826 B7R1.24 C1CCCOCC1 LQ1074 [0,1,0,1,0,0|0,0,0]=2 827 B7R1.24 C1CCCSCC1 RT17551 [0,1,0,1,0,0|0,1,0]=3 828 B7R1.24 C1CNCCNC1 JZ0121 [0,1,0,1,0,0|1,0,0]=3 829 B7R2.13 C1NCC2CC12 YH16432 [0,0,0,2,0,0|1,0,0]=3 830 B7R2.13 C1NCC2CC12 YH51935 [0,0,0,2,0,0|1,0,0]=3 831 B7R2.13 C1OCC2OC12 LL0620 [0,0,0,2,0,0|1,0,0]=3