0 B5R0.2 BrCCCCBr RT17667 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.2 C#CCCCBr RT0013 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.2 C#CCCCC LQ1326 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.2 C#CCCCO XJ2908 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.2 C#CCCCS RT16516 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.2 C=CCCC=C HL0118 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.2 C=CCCCBr XJ1587 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.2 C=CC\C=C\C HL0119 [0,0,0,0,0,0|2,0,2]=4 8 B5R0.2 CCC#CCBr RT0546 [0,0,0,0,0,0|2,0,2]=4 9 B5R0.2 CCCCC#N LL0427 [0,0,0,0,0,0|1,0,2]=3 10 B5R0.2 CCCCCI HL0274 [0,0,0,0,0,0|2,0,0]=2 11 B5R0.2 CCCCNC LL0434 [0,0,0,0,0,0|2,0,0]=2 12 B5R0.2 CCCCSC HL0277 [0,0,0,0,0,0|1,0,0]=1 13 B5R0.2 CCCC[SnH]=O LQ5214 [0,0,0,0,0,0|3,0,0]=3 14 B5R0.2 CCCN=C=O LL0443 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.2 CCCN=C=S HL0278 [0,0,0,0,0,0|3,0,1]=4 16 B5R0.2 CCCOC=O LL0440 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.2 CCCOCCl JZ2364 [0,0,0,0,0,0|3,0,0]=3 18 B5R0.2 CCCSC#N LQ2617 [0,0,0,0,0,0|2,0,2]=4 19 B5R0.2 CCCSCC LT5403 [0,0,0,0,0,0|3,0,0]=3 20 B5R0.2 CCNCCO LL0439 [0,0,0,0,0,0|3,0,0]=3 21 B5R0.2 CCNNCC LQ3339 [0,0,0,0,0,0|4,0,0]=4 22 B5R0.2 CCOCCBr HL0120 [0,0,0,0,0,0|3,0,0]=3 23 B5R0.2 CCOCCCl HL0279 [0,0,0,0,0,0|3,0,0]=3 24 B5R0.2 CCOCCO LL0444 [0,0,0,0,0,0|3,0,0]=3 25 B5R0.2 CC\C=C\CC JZ3712 [0,0,0,0,0,0|2,0,2]=4 26 B5R0.2 CNCCNC LL0436 [0,0,0,0,0,0|3,0,0]=3 27 B5R0.2 CNCCOC LQ4938 [0,0,0,0,0,0|2,1,0]=3 28 B5R0.2 COCCC#N LL0433 [0,0,0,0,0,0|0,1,2]=3 29 B5R0.2 COCCC=O YH51649 [0,0,0,0,0,0|1,1,1]=3 30 B5R0.2 COCCCCl LQ4914 [0,0,0,0,0,0|1,1,0]=2 31 B5R0.2 COCCCN LT2986 [0,0,0,0,0,0|0,1,0]=1 32 B5R0.2 CSCCC=O LT3092 [0,0,0,0,0,0|1,0,1]=2 33 B5R0.2 CSCCCN XJ2622 [0,0,0,0,0,0|0,0,0]=0 34 B5R0.2 CSCCCO XJ0883 [0,0,0,0,0,0|1,0,0]=1 35 B5R0.2 CSC\C=N\O LQ3457 [0,0,0,0,0,0|2,0,1]=3 36 B5R0.2 C\C=C\CCC XJ2577 [0,0,0,0,0,0|2,0,1]=3 37 B5R0.2 ClCCCCI XJ3625 [0,0,0,0,0,0|3,0,0]=3 38 B5R0.2 ClCCOCCl HL0847 [0,0,0,0,0,0|4,0,0]=4 39 B5R0.2 ICCCCI HL0276 [0,0,0,0,0,0|3,0,0]=3 40 B5R0.2 N#CCCCBr XJ2830 [0,0,0,0,0,0|3,0,0]=3 41 B5R0.2 NCCCCCl JZ1120 [0,0,0,0,0,0|2,0,0]=2 42 B5R0.2 NCCCCN LL0428 [0,0,0,0,0,0|2,0,0]=2 43 B5R0.2 NCCCCO XJ3835 [0,0,0,0,0,0|2,0,0]=2 44 B5R0.2 NOCCCS RT0541 [0,0,0,0,0,0|2,1,0]=3 45 B5R0.2 O=C=NCCCl LT6514 [0,0,0,0,0,0|4,0,0]=4 46 B5R0.2 O=CCCC=O YH11511 [0,0,0,0,0,0|3,0,1]=4 47 B5R0.2 OCCCCCl LQ1521 [0,0,0,0,0,0|3,0,0]=3 48 B5R0.2 OCCCCF RT1165 [0,0,0,0,0,0|3,0,0]=3 49 B5R0.2 OCCOCCl RT1169 [0,0,0,0,0,0|4,0,0]=4 50 B5R0.2 S=C=NCCBr HL0884 [0,0,0,0,0,0|4,0,0]=4 51 B5R0.2 S=C=NCCCl JZ2873 [0,0,0,0,0,0|4,0,0]=4 52 B4R0.2 C#CCCC HL0250 [1,0,0,0,0,0|1,0,1]=3 53 B4R0.2 C#CCCO LT6746 [1,0,0,0,0,0|1,0,2]=4 54 B4R0.2 C#CCNC RT0490 [1,0,0,0,0,0|1,0,2]=4 55 B4R0.2 C=CCCBr LQ2822 [1,0,0,0,0,0|1,0,2]=4 56 B4R0.2 C=CCCN LQ2198 [1,0,0,0,0,0|0,0,2]=3 57 B4R0.2 C=CCOC HL0257 [1,0,0,0,0,0|0,1,2]=4 58 B4R0.2 CC#CCO XJ1336 [1,0,0,0,0,0|1,0,2]=4 59 B4R0.2 CCCCN LQ2553 [1,0,0,0,0,0|0,0,0]=1 60 B4R0.2 CCCCS LL0387 [1,0,0,0,0,0|1,0,0]=2 61 B4R0.2 CCCC[O-] HL2476 [1,0,0,0,0,0|1,0,0]=2 62 B4R0.2 CCCC[O-] LQ4485 [1,0,0,0,0,0|1,0,0]=2 63 B4R0.2 CCC[Mg]Br LQ1517 [1,0,0,0,0,0|2,0,0]=3 64 B4R0.2 CCC[Mg]Cl XJ2093 [1,0,0,0,0,0|2,0,0]=3 65 B4R0.2 CCC[Zn-]Br HL3580 [1,0,0,0,0,0|2,0,0]=3 66 B4R0.2 CCOC=N LQ3955 [1,0,0,0,0,0|1,0,2]=4 67 B4R0.2 CCOC=O LL0396 [1,0,0,0,0,0|2,0,1]=4 68 B4R0.2 CCOCC LL1197 [1,0,0,0,0,0|2,0,0]=3 69 B4R0.2 CCOCC XJ5008 [1,0,0,0,0,0|2,0,0]=3 70 B4R0.2 CCSC#N XJ0959 [1,0,0,0,0,0|1,0,2]=4 71 B4R0.2 CCSSC LQ4240 [1,0,0,0,0,0|1,0,0]=2 72 B4R0.2 CC[AlH3+]CC LL0219 [1,0,0,0,0,0|2,0,0]=3 73 B4R0.2 CC[N-]CC RT4825 [1,0,0,0,0,0|2,0,0]=3 74 B4R0.2 CC[NH2+]CC XJ6105 [1,0,0,0,0,0|2,0,0]=3 75 B4R0.2 CC[Se]CC RT0534 [1,0,0,0,0,0|2,0,0]=3 76 B4R0.2 CNCCCl RT4724 [1,0,0,0,0,0|2,0,0]=3 77 B4R0.2 CNCCCl YH54353 [1,0,0,0,0,0|2,0,0]=3 78 B4R0.2 CNCCN LL0389 [1,0,0,0,0,0|1,0,0]=2 79 B4R0.2 COCC#N JZ4756 [1,0,0,0,0,0|0,1,2]=4 80 B4R0.2 COCCN LL0392 [1,0,0,0,0,0|0,1,0]=2 81 B4R0.2 COCCO XJ3502 [1,0,0,0,0,0|1,1,0]=3 82 B4R0.2 CSCC=O JZ5555 [1,0,0,0,0,0|1,0,1]=3 83 B4R0.2 CSCCO JZ2661 [1,0,0,0,0,0|1,0,0]=2 84 B4R0.2 CSSSC LT5322 [1,0,0,0,0,0|2,0,0]=3 85 B4R0.2 C\C=C/CO YH00287 [1,0,0,0,0,0|1,0,2]=4 86 B4R0.2 C\C=C\CC XJ1213 [1,0,0,0,0,0|1,0,1]=3 87 B4R0.2 C\C=C\CCl HL0110 [1,0,0,0,0,0|1,0,2]=4 88 B4R0.2 C\C=C\CN YH07653 [1,0,0,0,0,0|0,0,2]=3 89 B4R0.2 ClCCCI JZ3062 [1,0,0,0,0,0|2,0,0]=3 90 B4R0.2 FCCCBr SY0223 [1,0,0,0,0,0|2,0,0]=3 91 B4R0.2 N#CCCBr JZ2023 [1,0,0,0,0,0|1,0,2]=4 92 B4R0.2 N#CCCO RT1105 [1,0,0,0,0,0|0,1,2]=4 93 B4R0.2 NCCCBr HL2839 [1,0,0,0,0,0|1,0,0]=2 94 B4R0.2 NCCCCl LT6768 [1,0,0,0,0,0|1,0,0]=2 95 B4R0.2 NCCON RT0317 [1,0,0,0,0,0|1,1,0]=3 96 B4R0.2 NNCCO LT2306 [1,0,0,0,0,0|1,1,0]=3 97 B4R0.2 OCCCBr HL0249 [1,0,0,0,0,0|1,1,0]=3 98 B4R0.2 OCCCI HL0254 [1,0,0,0,0,0|1,1,0]=3 99 B4R0.2 OCCCO XJ0879 [1,0,0,0,0,0|1,1,0]=3 100 B4R0.2 SCCCS LL0388 [1,0,0,0,0,0|1,0,0]=2 101 B6R0.1 BrCCC(Br)CBr LQ4943 [0,1,0,0,0,0|3,0,0]=4 102 B6R0.1 C#CC(C)CCC LQ5005 [0,1,0,0,0,0|2,0,1]=4 103 B6R0.1 C#CC(O)CCC XJ0311 [0,1,0,0,0,0|2,0,1]=4 104 B6R0.1 C(Cl)CC(=O)OC LT5092 [0,1,0,0,0,0|1,1,1]=4 105 B6R0.1 C=CC(N)CCO YH91593 [0,1,0,0,0,0|2,0,1]=4 106 B6R0.1 CCC(=O)CSC JZ4808 [0,1,0,0,0,0|1,0,1]=3 107 B6R0.1 CCC(C)CC=O JZ5060 [0,1,0,0,0,0|2,0,1]=4 108 B6R0.1 CCC(C)CCO HL0061 [0,1,0,0,0,0|2,0,0]=3 109 B6R0.1 CCC(C)CCO LL2797 [0,1,0,0,0,0|2,0,0]=3 110 B6R0.1 CCC(C)CCO LQ4221 [0,1,0,0,0,0|2,0,0]=3 111 B6R0.1 CCCC(=O)CC HL0062 [0,1,0,0,0,0|2,0,1]=4 112 B6R0.1 CCCC(=O)NN JZ2316 [0,1,0,0,0,0|2,0,1]=4 113 B6R0.1 CCCC(=O)OC XJ1144 [0,1,0,0,0,0|1,1,1]=4 114 B6R0.1 CCCC(=O)SC XJ2150 [0,1,0,0,0,0|1,0,1]=3 115 B6R0.1 CCCC(Br)CBr JZ2283 [0,1,0,0,0,0|2,0,0]=3 116 B6R0.1 CCCC(C)C#N YH11272 [0,1,0,0,0,0|1,0,2]=4 117 B6R0.1 CCCC(C)CC HL0060 [0,1,0,0,0,0|2,0,0]=3 118 B6R0.1 CCOC(=O)CN JZ1544 [0,1,0,0,0,0|2,0,1]=4 119 B6R0.1 CCOC(=O)[13CH2]N RT5563 [0,1,0,0,0,0|2,0,1]=4 120 B6R0.1 CNCC(O)CO LT2424 [0,1,0,0,0,0|2,0,0]=3 121 B6R0.1 COC(=O)CCN LT4189 [0,1,0,0,0,0|0,1,1]=3 122 B6R0.1 COC(=O)CCS JZ2165 [0,1,0,0,0,0|1,1,1]=4 123 B6R0.1 COCC(O)CCl HL2667 [0,1,0,0,0,0|1,1,0]=3 124 B6R0.1 COCC(O)CO LT2370 [0,1,0,0,0,0|1,1,0]=3 125 B6R0.1 COC[C@@H](N)CO LX2569 [0,1,0,0,0,0|1,1,0]=3 126 B6R0.1 CSC(C)CC=O LT2625 [0,1,0,0,0,0|1,0,1]=3 127 B6R0.1 N#CC[C@H](O)CCl LQ5539 [0,1,0,0,0,0|3,0,0]=4 128 B6R0.1 N[C@H](CS)CCS RT1463 [0,1,0,0,0,0|3,0,0]=4 129 B6R0.1 OCC[C@@H](O)CO YH14636 [0,1,0,0,0,0|3,0,0]=4 130 B6R0.1 OCC[C@H](O)CO LQ5089 [0,1,0,0,0,0|3,0,0]=4 131 B6R0.4 C#CCCC(C)C JZ1939 [0,1,0,0,0,0|2,0,1]=4 132 B6R0.4 C=CCCC(C)=O LQ0437 [0,1,0,0,0,0|2,0,1]=4 133 B6R0.4 C=CCCC(C)C JZ2300 [0,1,0,0,0,0|2,0,1]=4 134 B6R0.4 CC(=O)NCCCl JZ3076 [0,1,0,0,0,0|3,0,0]=4 135 B6R0.4 CC(=O)NCCN HL0561 [0,1,0,0,0,0|2,0,0]=3 136 B6R0.4 CC(=O)OCCBr LQ1516 [0,1,0,0,0,0|3,0,0]=4 137 B6R0.4 CC(Br)CCCBr HL0239 [0,1,0,0,0,0|2,0,0]=3 138 B6R0.4 CC(C)=CCCBr HL2172 [0,1,0,0,0,0|2,0,1]=4 139 B6R0.4 CC(C)CCC=O RT0502 [0,1,0,0,0,0|2,0,1]=4 140 B6R0.4 CC(C)CCCBr HL0240 [0,1,0,0,0,0|2,0,0]=3 141 B6R0.4 CC(C)OCCO LQ0441 [0,1,0,0,0,0|3,0,0]=4 142 B6R0.4 CC(N)CCCO RT0123 [0,1,0,0,0,0|2,0,0]=3 143 B6R0.4 CCCCC(=O)[O-] RT0478 [0,1,0,0,0,0|2,0,1]=4 144 B6R0.4 CCCCC(C)Br HL2516 [0,1,0,0,0,0|2,0,0]=3 145 B6R0.4 CCCCC(N)=O HL0242 [0,1,0,0,0,0|1,0,1]=3 146 B6R0.4 CCCC[Sn](=O)S LQ4511 [0,1,0,0,0,0|3,0,0]=4 147 B6R0.4 CCCNC(C)=O JZ2722 [0,1,0,0,0,0|3,0,0]=4 148 B6R0.4 CCCNC(N)=O HL0246 [0,1,0,0,0,0|2,0,1]=4 149 B6R0.4 CCCNC(N)=S LQ1515 [0,1,0,0,0,0|2,0,1]=4 150 B6R0.4 CCCOC(N)=O RT1458 [0,1,0,0,0,0|2,0,1]=4 151 B6R0.4 CCCSC(C)C HL2844 [0,1,0,0,0,0|3,0,0]=4 152 B6R0.4 CN(C)CCCBr LQ5309 [0,1,0,0,0,0|2,0,0]=3 153 B6R0.4 CN(C)CCCBr YH08472 [0,1,0,0,0,0|2,0,0]=3 154 B6R0.4 CN(C)CCCCl HL0729 [0,1,0,0,0,0|2,0,0]=3 155 B6R0.4 CN(C)CCCCl HL2943 [0,1,0,0,0,0|2,0,0]=3 156 B6R0.4 CN(C)CCCCl LQ0440 [0,1,0,0,0,0|2,0,0]=3 157 B6R0.4 CN(C)CCCN RT1449 [0,1,0,0,0,0|1,0,0]=2 158 B6R0.4 CN(C)CCCO LT2968 [0,1,0,0,0,0|2,0,0]=3 159 B6R0.4 CNCCN(C)C XJ0598 [0,1,0,0,0,0|3,0,0]=4 160 B6R0.4 COCCC(=O)O LQ2190 [0,1,0,0,0,0|1,1,1]=4 161 B6R0.4 COCCC(C)O LT2442 [0,1,0,0,0,0|1,1,0]=3 162 B6R0.4 CSCCC(=O)Cl XJ3231 [0,1,0,0,0,0|1,0,1]=3 163 B6R0.4 CSCCC(C)=O LT2666 [0,1,0,0,0,0|1,0,1]=3 164 B6R0.4 NCCCC(=O)O CJ3094 [0,1,0,0,0,0|2,0,0]=3 165 B6R0.4 NCCCC(N)=O RT0435 [0,1,0,0,0,0|2,0,0]=3 166 B6R0.4 O=C(Cl)CCCBr LQ1513 [0,1,0,0,0,0|3,0,0]=4 167 B6R0.4 O=C(O)CCCBr JZ2086 [0,1,0,0,0,0|3,0,0]=4 168 B6R0.4 O=C(O)CCCS RT19786 [0,1,0,0,0,0|3,0,0]=4 169 B6R0.6 BrCCNCCBr RT17682 [0,1,0,0,0,0|3,0,0]=4 170 B6R0.6 BrCCOCCBr HL2958 [0,1,0,0,0,0|3,0,0]=4 171 B6R0.6 C#CCCCC#C JZ1985 [0,1,0,0,0,0|2,0,1]=4 172 B6R0.6 C#CCCCCC HL0285 [0,1,0,0,0,0|2,0,0]=3 173 B6R0.6 C#CCCCCO LQ1526 [0,1,0,0,0,0|2,0,1]=4 174 B6R0.6 C#CCOCOC LT2103 [0,1,0,0,0,0|1,1,1]=4 175 B6R0.6 C=CCCCCCl LQ1525 [0,1,0,0,0,0|2,0,1]=4 176 B6R0.6 C=CCSSCC LT5765 [0,1,0,0,0,0|2,0,1]=4 177 B6R0.6 CCCC#CCO XJ1342 [0,1,0,0,0,0|2,0,1]=4 178 B6R0.6 CCCCCC#N HL0286 [0,1,0,0,0,0|1,0,1]=3 179 B6R0.6 CCCCCCCl HL1956 [0,1,0,0,0,0|2,0,0]=3 180 B6R0.6 CCCCCCI JZ4066 [0,1,0,0,0,0|2,0,0]=3 181 B6R0.6 CCCCCCO XJ0385 [0,1,0,0,0,0|2,0,0]=3 182 B6R0.6 CCCCCCS XJ0387 [0,1,0,0,0,0|2,0,0]=3 183 B6R0.6 CCCCCNC LT5645 [0,1,0,0,0,0|1,0,0]=2 184 B6R0.6 CCCCC[Mg]Cl JZ2964 [0,1,0,0,0,0|2,0,0]=3 185 B6R0.6 CCCCN=C=S HL0124 [0,1,0,0,0,0|2,0,1]=4 186 B6R0.6 CCCCOCC HL0289 [0,1,0,0,0,0|1,1,0]=3 187 B6R0.6 CCCCOCCl LT4489 [0,1,0,0,0,0|1,1,0]=3 188 B6R0.6 CCCCSC#N HL0290 [0,1,0,0,0,0|1,0,1]=3 189 B6R0.6 CCCCSCC JZ4067 [0,1,0,0,0,0|1,0,0]=2 190 B6R0.6 CCCNCCC RT1163 [0,1,0,0,0,0|2,0,0]=3 191 B6R0.6 CCCSSCC LT5405 [0,1,0,0,0,0|2,0,0]=3 192 B6R0.6 CCCSSSC JZ1910 [0,1,0,0,0,0|2,0,0]=3 193 B6R0.6 CCC\C=C/CO LQ1528 [0,1,0,0,0,0|2,0,1]=4 194 B6R0.6 CCNCCC#N RT4893 [0,1,0,0,0,0|1,0,2]=4 195 B6R0.6 CCNCCCN HL4191 [0,1,0,0,0,0|1,0,0]=2 196 B6R0.6 CCOCCC#N LQ3792 [0,1,0,0,0,0|0,1,2]=4 197 B6R0.6 CCOCCC#N LT2930 [0,1,0,0,0,0|0,1,2]=4 198 B6R0.6 CCOCCCCl XJ5236 [0,1,0,0,0,0|1,1,0]=3 199 B6R0.6 CCOCCOC LQ2802 [0,1,0,0,0,0|1,1,0]=3 200 B6R0.6 CCSCSCC RT19812 [0,1,0,0,0,0|2,0,0]=3 201 B6R0.6 CCSSSCC JZ2380 [0,1,0,0,0,0|3,0,0]=4 202 B6R0.6 CC\C=C/CCO LT4581 [0,1,0,0,0,0|2,0,1]=4 203 B6R0.6 CC\C=C\CCC HL0123 [0,1,0,0,0,0|2,0,1]=4 204 B6R0.6 CNCCCNC XJ0389 [0,1,0,0,0,0|1,0,0]=2 205 B6R0.6 COCCN=C=S LQ4979 [0,1,0,0,0,0|1,1,1]=4 206 B6R0.6 CSCCCSC LQ4459 [0,1,0,0,0,0|1,0,0]=2 207 B6R0.6 C\C=C\CCCO XJ3000 [0,1,0,0,0,0|2,0,0]=3 208 B6R0.6 C\C=C\SCCC YH55419 [0,1,0,0,0,0|2,0,1]=4 209 B6R0.6 ClCCCCCI XJ5888 [0,1,0,0,0,0|2,0,0]=3 210 B6R0.6 ClCCNCCCl LQ1470 [0,1,0,0,0,0|3,0,0]=4 211 B6R0.6 ClCCOCCI YH66175 [0,1,0,0,0,0|3,0,0]=4 212 B6R0.6 ICCCCCI HL0288 [0,1,0,0,0,0|2,0,0]=3 213 B6R0.6 N#CCCCC#N HL1957 [0,1,0,0,0,0|2,0,1]=4 214 B6R0.6 N#CCCCCBr HL2959 [0,1,0,0,0,0|1,0,2]=4 215 B6R0.6 NCCCCCBr RT0436 [0,1,0,0,0,0|1,0,0]=2 216 B6R0.6 NCCCCCN LQ0829 [0,1,0,0,0,0|1,0,0]=2 217 B6R0.6 NCCCCCO HL2296 [0,1,0,0,0,0|1,0,0]=2 218 B6R0.6 NCCNCCN XJ0391 [0,1,0,0,0,0|2,0,0]=3 219 B6R0.6 NCCNCCO JZ0125 [0,1,0,0,0,0|2,0,0]=3 220 B6R0.6 NCCOCCO LQ1534 [0,1,0,0,0,0|2,0,0]=3 221 B6R0.6 O=CCCCC=O LT7833 [0,1,0,0,0,0|3,0,0]=4 222 B6R0.6 O=CCCCC=O YH24624 [0,1,0,0,0,0|3,0,0]=4 223 B6R0.6 O=CCCCCO YH66094 [0,1,0,0,0,0|2,0,1]=4 224 B6R0.6 OCCCCCCl JZ2653 [0,1,0,0,0,0|2,0,0]=3 225 B6R0.6 OCCNCCO LT7673 [0,1,0,0,0,0|3,0,0]=4 226 B6R0.6 OCCOCCCl JZ0962 [0,1,0,0,0,0|3,0,0]=4 227 B6R0.6 OCCSCCO XJ0395 [0,1,0,0,0,0|3,0,0]=4 228 B6R0.6 SCCSCCS JZ2349 [0,1,0,0,0,0|3,0,0]=4 229 B6R1.1 C1=CCCCC1 LL0447 [0,0,0,1,0,0|2,0,1]=4 230 B6R1.1 C1=CCOCC1 RT15029 [0,0,0,1,0,0|1,1,1]=4 231 B6R1.1 C1=COCCC1 JZ1390 [0,0,0,1,0,0|1,1,1]=4 232 B6R1.1 C1CC[NH2+]CC1 HL2776 [0,0,0,1,0,0|1,0,1]=3 233 B6R1.1 C1CNCCN1 JZ0122 [0,0,0,1,0,0|2,0,0]=3 234 B6R1.1 C1CNCCN1 JZ2867 [0,0,0,1,0,0|2,0,0]=3 235 B6R1.1 C1CNCCN1 LQ3756 [0,0,0,1,0,0|2,0,0]=3 236 B6R1.1 C1COCCN1 YH20292 [0,0,0,1,0,0|2,0,0]=3 237 B6R1.1 C1COCCO1 XJ5344 [0,0,0,1,0,0|2,1,0]=4 238 B6R1.1 C1COCCO1 XJ5710 [0,0,0,1,0,0|2,1,0]=4 239 B6R1.1 C1CSCCS1 XJ0886 [0,0,0,1,0,0|2,0,0]=3 240 B6R1.1 C1CSCSC1 XJ0885 [0,0,0,1,0,0|1,0,0]=2 241 B6R1.1 C1OCOCO1 LL0448 [0,0,0,1,0,0|2,1,0]=4 242 B6R1.1 N1CCNCC1 HL1555 [0,0,0,1,0,0|2,0,0]=3 243 B6R1.2 BrC1CCCC1 LL0590 [0,0,0,1,0,0|2,0,0]=3 244 B6R1.2 CC1=NCCC1 XJ1415 [0,0,0,1,0,0|1,0,1]=3 245 B6R1.2 CC1=NCCN1 LL0953 [0,0,0,1,0,0|2,0,0]=3 246 B6R1.2 CC1=NCCO1 XJ1609 [0,0,0,1,0,0|2,0,1]=4 247 B6R1.2 CC1CCCC1 LL0238 [0,0,0,1,0,0|2,0,0]=3 248 B6R1.2 CC1CCCN1 XJ1351 [0,0,0,1,0,0|1,0,0]=2 249 B6R1.2 CC1CCCO1 YH65006 [0,0,0,1,0,0|2,0,0]=3 250 B6R1.2 CC1CCCS1 XJ1945 [0,0,0,1,0,0|2,0,0]=3 251 B6R1.2 CC1CCNC1 YH66261 [0,0,0,1,0,0|2,0,0]=3 252 B6R1.2 CC1SCCS1 JZ2801 [0,0,0,1,0,0|3,0,0]=4 253 B6R1.2 C[C@@H]1CCCN1 JZ0867 [0,0,0,1,0,0|1,0,0]=2 254 B6R1.2 C[C@H]1CCCN1 HL3677 [0,0,0,1,0,0|1,0,0]=2 255 B6R1.2 C[C@H]1CCNC1 YH66267 [0,0,0,1,0,0|2,0,0]=3 256 B6R1.2 ClC1C=CCC1 LL0239 [0,0,0,1,0,0|2,0,1]=4 257 B6R1.2 ClC1CCCC1 LT4693 [0,0,0,1,0,0|2,0,0]=3 258 B6R1.2 NC1=NCCN1 RT4092 [0,0,0,1,0,0|3,0,0]=4 259 B6R1.2 NC1CC=CC1 YH95418 [0,0,0,1,0,0|1,0,1]=3 260 B6R1.2 NC1CCCC1 LT4694 [0,0,0,1,0,0|1,0,0]=2 261 B6R1.2 NC1CCNC1 LL1803 [0,0,0,1,0,0|1,0,0]=2 262 B6R1.2 NC1CCNC1 YH29002 [0,0,0,1,0,0|1,0,0]=2 263 B6R1.2 N[C@@H]1CCNC1 JZ0225 [0,0,0,1,0,0|1,0,0]=2 264 B6R1.2 N[C@@H]1CCOC1 CJ2199 [0,0,0,1,0,0|0,1,0]=2 265 B6R1.2 N[C@H]1CCNC1 JZ0221 [0,0,0,1,0,0|1,0,0]=2 266 B6R1.2 N[C@H]1CCNC1 LT6128 [0,0,0,1,0,0|1,0,0]=2 267 B6R1.2 N[C@H]1CCOC1 XJ6762 [0,0,0,1,0,0|0,1,0]=2 268 B6R1.2 O=C1CCCN1 RT14155 [0,0,0,1,0,0|2,0,0]=3 269 B6R1.2 O=C1CCCO1 YH98377 [0,0,0,1,0,0|3,0,0]=4 270 B6R1.2 O=C1CCCS1 HL0571 [0,0,0,1,0,0|3,0,0]=4 271 B6R1.2 O=C1CCNC1 HL2616 [0,0,0,1,0,0|2,0,1]=4 272 B6R1.2 O=C1CCNC1 YH98366 [0,0,0,1,0,0|2,0,1]=4 273 B6R1.2 O=C1CCOC1 LQ4327 [0,0,0,1,0,0|1,1,1]=4 274 B6R1.2 O=C1CCSC1 JZ1778 [0,0,0,1,0,0|1,0,1]=3 275 B6R1.2 O=C1NCCN1 RT14939 [0,0,0,1,0,0|3,0,0]=4 276 B6R1.2 O=C1NCCO1 LT6610 [0,0,0,1,0,0|3,0,0]=4 277 B6R1.2 O=C1NCCS1 XJ2235 [0,0,0,1,0,0|3,0,0]=4 278 B6R1.2 OC1CC=CC1 XJ4083 [0,0,0,1,0,0|2,0,1]=4 279 B6R1.2 OC1CCCO1 RT17572 [0,0,0,1,0,0|3,0,0]=4 280 B6R1.2 OC1CCNC1 HL4806 [0,0,0,1,0,0|2,0,0]=3 281 B6R1.2 OC1CCOC1 XJ0812 [0,0,0,1,0,0|1,1,0]=3 282 B6R1.2 O[C@@H]1CCNC1 HL2373 [0,0,0,1,0,0|2,0,0]=3 283 B6R1.2 O[C@@H]1CCNC1 JZ0855 [0,0,0,1,0,0|2,0,0]=3 284 B6R1.2 O[C@@H]1CCOC1 HL4808 [0,0,0,1,0,0|1,1,0]=3 285 B6R1.2 O[C@@H]1CCSC1 LT5798 [0,0,0,1,0,0|1,0,0]=2 286 B6R1.2 O[C@H]1CCNC1 JZ0222 [0,0,0,1,0,0|2,0,0]=3 287 B6R1.2 O[C@H]1CCNC1 XJ6747 [0,0,0,1,0,0|2,0,0]=3 288 B6R1.2 O[C@H]1CCOC1 HL4807 [0,0,0,1,0,0|1,1,0]=3 289 B6R1.2 O[C@H]1CCSC1 LT5717 [0,0,0,1,0,0|1,0,0]=2 290 B6R1.2 S=C1NCCN1 XJ3807 [0,0,0,1,0,0|3,0,0]=4 291 B6R1.2 SC1CCCC1 LQ1887 [0,0,0,1,0,0|2,0,0]=3 292 B6R1.2 [Fe]C1CCCC1 HL0728 [0,0,0,1,0,0|2,0,0]=3 293 B6R1.2 [Fe]C1CCCC1 XJ1696 [0,0,0,1,0,0|2,0,0]=3 294 B6R1.3 ICCC1CC1 YH66394 [0,0,0,1,0,0|2,0,0]=3 295 B6R1.3 N#CCC1CC1 YH12245 [0,0,0,1,0,0|1,0,2]=4 296 B6R1.3 NCCN1CC1 YH59500 [0,0,0,1,0,0|2,0,0]=3 297 B6R1.3 NOCC1CC1 YH17345 [0,0,0,1,0,0|2,0,0]=3 298 B6R1.3 OCCN1CC1 JZ4346 [0,0,0,1,0,0|3,0,0]=4 299 B6R1.3 [C@@H]1(COC)CO1 LL1074 [0,0,0,1,0,0|1,1,0]=3 300 B6R1.4 O=C1CCC1Cl RT13553 [0,0,0,1,0,0|3,0,0]=4 301 B6R1.6 BrCC1CCC1 YH39750 [0,0,0,1,0,0|2,0,0]=3 302 B6R1.6 CNC1CNC1 YH49217 [0,0,0,1,0,0|3,0,0]=4 303 B6R1.6 N#CC1CCC1 XJ2664 [0,0,0,1,0,0|1,0,2]=4 304 B6R1.6 NCC1CCC1 JZ2551 [0,0,0,1,0,0|1,0,0]=2 305 B6R1.6 OCC1CCC1 LT4668 [0,0,0,1,0,0|2,0,0]=3 306 B6R1.8 CC1CC1CO JZ2852 [0,0,0,1,0,0|2,0,0]=3 307 B3R0.1 C#CCN RT16379 [2,0,0,0,0,0|0,0,2]=4 308 B3R0.1 C#CCN XJ2196 [2,0,0,0,0,0|0,0,2]=4 309 B3R0.1 C=CCC HL1334 [2,0,0,0,0,0|0,0,2]=4 310 B3R0.1 C=CCN XJ6235 [2,0,0,0,0,0|0,0,2]=4 311 B3R0.1 C=CCS LT3385 [2,0,0,0,0,0|0,0,2]=4 312 B3R0.1 CCC=S LT2311 [2,0,0,0,0,0|0,0,2]=4 313 B3R0.1 CCCCl XJ0925 [2,0,0,0,0,0|1,0,0]=3 314 B3R0.1 CCON LT7287 [2,0,0,0,0,0|1,0,0]=3 315 B3R0.1 CCSC XJ1178 [2,0,0,0,0,0|0,0,0]=2 316 B3R0.1 CNOC LT1363 [2,0,0,0,0,0|1,1,0]=4 317 B3R0.1 COCCl RT17912 [2,0,0,0,0,0|1,1,0]=4 318 B3R0.1 CSC#N LQ1008 [2,0,0,0,0,0|0,0,2]=4 319 B3R0.1 CSCCl LQ2158 [2,0,0,0,0,0|1,0,0]=3 320 B3R0.1 ClCCCl XJ5613 [2,0,0,0,0,0|2,0,0]=4 321 B3R0.1 FCCBr XJ1331 [2,0,0,0,0,0|2,0,0]=4 322 B3R0.1 N#CCN JZ2807 [2,0,0,0,0,0|1,0,1]=4 323 B3R0.1 N#CCN YH65552 [2,0,0,0,0,0|1,0,1]=4 324 B3R0.1 NCCCl XJ1403 [2,0,0,0,0,0|1,0,0]=3 325 B3R0.1 NCCN JZ1006 [2,0,0,0,0,0|1,0,0]=3 326 B3R0.1 NCCN JZ4960 [2,0,0,0,0,0|1,0,0]=3 327 B3R0.1 NCCN LT5412 [2,0,0,0,0,0|1,0,0]=3 328 B3R0.1 NCCN LT7506 [2,0,0,0,0,0|1,0,0]=3 329 B3R0.1 NCCN XJ4257 [2,0,0,0,0,0|1,0,0]=3 330 B3R0.1 NCCO XJ0576 [2,0,0,0,0,0|0,1,0]=3 331 B3R0.1 NCCS LL0054 [2,0,0,0,0,0|0,0,0]=2 332 B3R0.1 NCCS LQ0646 [2,0,0,0,0,0|0,0,0]=2 333 B3R0.1 OCCBr XJ0924 [2,0,0,0,0,0|1,1,0]=4 334 B3R0.1 OCCO LT7654 [2,0,0,0,0,0|1,1,0]=4 335 B3R0.1 [2H]OCC RT1050 [2,0,0,0,0,0|1,1,0]=4 336 B3R0.1 [Li]CCC LQ1980 [2,0,0,0,0,0|1,0,0]=3 337 B3R0.1 [O-]CC[O-] RT16375 [2,0,0,0,0,0|1,1,0]=4 338 B5R0.1 BrCCC(Br)Br YH44143 [1,1,0,0,0,0|2,0,0]=4 339 B5R0.1 C#CCC(C)O LQ2032 [1,1,0,0,0,0|1,0,1]=4 340 B5R0.1 C=C(C)OCC LT1730 [1,1,0,0,0,0|2,0,0]=4 341 B5R0.1 C=CCC(C)C LQ1324 [1,1,0,0,0,0|1,0,1]=4 342 B5R0.1 C=CCC(C)O XJ1184 [1,1,0,0,0,0|1,0,1]=4 343 B5R0.1 CC#C[C@H](C)O HL4870 [1,1,0,0,0,0|1,0,1]=4 344 B5R0.1 CC(=O)CCS XJ5155 [1,1,0,0,0,0|1,0,1]=4 345 B5R0.1 CC(Br)CCBr HL1367 [1,1,0,0,0,0|1,0,0]=3 346 B5R0.1 CC(C)=CCN YH33589 [1,1,0,0,0,0|0,0,2]=4 347 B5R0.1 CC(C)CC#N XJ1183 [1,1,0,0,0,0|0,0,2]=4 348 B5R0.1 CC(C)CCCl HL1371 [1,1,0,0,0,0|1,0,0]=3 349 B5R0.1 CC(C)CCI XJ0935 [1,1,0,0,0,0|1,0,0]=3 350 B5R0.1 CC(O)CC=O HL1375 [1,1,0,0,0,0|1,0,1]=4 351 B5R0.1 CCCC(=O)[O-] XJ2982 [1,1,0,0,0,0|1,0,1]=4 352 B5R0.1 CCCC(C)C HL1370 [1,1,0,0,0,0|1,0,0]=3 353 B5R0.1 CCCC(C)C HL4500 [1,1,0,0,0,0|1,0,0]=3 354 B5R0.1 CCCC(N)=O XJ0937 [1,1,0,0,0,0|0,0,1]=3 355 B5R0.1 CCCC(N)=[NH2+] LX2780 [1,1,0,0,0,0|0,0,1]=3 356 B5R0.1 CCC[C@H](C)O LQ4668 [1,1,0,0,0,0|1,0,0]=3 357 B5R0.1 CCC[N+](=O)[O-] JZ5682 [1,1,0,0,0,0|2,0,0]=4 358 B5R0.1 CCC[N+](=O)[O-] LQ0374 [1,1,0,0,0,0|2,0,0]=4 359 B5R0.1 CCNC(C)=O XJ1192 [1,1,0,0,0,0|2,0,0]=4 360 B5R0.1 CCNC(N)=O XJ1194 [1,1,0,0,0,0|1,0,1]=4 361 B5R0.1 CCNC(N)=O XJ3539 [1,1,0,0,0,0|1,0,1]=4 362 B5R0.1 CCNC(N)=S XJ1195 [1,1,0,0,0,0|1,0,1]=4 363 B5R0.1 CCOC(N)=O RT0197 [1,1,0,0,0,0|1,0,1]=4 364 B5R0.1 CCSC(=N)N RT19776 [1,1,0,0,0,0|1,0,1]=4 365 B5R0.1 CCSC(C)=O HL4138 [1,1,0,0,0,0|2,0,0]=4 366 B5R0.1 CCSC(C)=O XJ1197 [1,1,0,0,0,0|2,0,0]=4 367 B5R0.1 CC[NH2+]C(=N)N LQ2498 [1,1,0,0,0,0|1,0,1]=4 368 B5R0.1 CN(C)CCCl HL2802 [1,1,0,0,0,0|2,0,0]=4 369 B5R0.1 CN(C)CCN HL1382 [1,1,0,0,0,0|1,0,0]=3 370 B5R0.1 CN(C)CCO HL1383 [1,1,0,0,0,0|2,0,0]=4 371 B5R0.1 CN(C)CCS LT4952 [1,1,0,0,0,0|2,0,0]=4 372 B5R0.1 COCC(C)=O LT7464 [1,1,0,0,0,0|0,1,1]=4 373 B5R0.1 COCC(C)N XJ5266 [1,1,0,0,0,0|0,1,0]=3 374 B5R0.1 COC[C@H](C)N XJ6713 [1,1,0,0,0,0|0,1,0]=3 375 B5R0.1 CSCC(=N)N YH65419 [1,1,0,0,0,0|0,0,1]=3 376 B5R0.1 CSCC(=O)O XJ2185 [1,1,0,0,0,0|1,0,1]=4 377 B5R0.1 C[C@@H](N)CC#N YH66415 [1,1,0,0,0,0|0,0,2]=4 378 B5R0.1 C[C@@H](N)CCO RT0497 [1,1,0,0,0,0|0,1,0]=3 379 B5R0.1 C[C@@H](O)CCO SY0267 [1,1,0,0,0,0|1,0,0]=3 380 B5R0.1 C[C@H](N)CC#N YH66374 [1,1,0,0,0,0|0,0,2]=4 381 B5R0.1 NC(=O)CCO RT17509 [1,1,0,0,0,0|0,1,1]=4 382 B5R0.1 NCCC(=O)O JZ0318 [1,1,0,0,0,0|0,1,1]=4 383 B5R0.1 O=C(O)CCS SY0092 [1,1,0,0,0,0|1,0,1]=4 384 B5R0.3 BrCC(Br)CBr LL0220 [1,1,0,0,0,0|2,0,0]=4 385 B5R0.3 C#CC(O)CC HL2704 [1,1,0,0,0,0|1,0,1]=4 386 B5R0.3 C=C(CC)CC XJ1324 [1,1,0,0,0,0|1,0,1]=4 387 B5R0.3 C=CC(C)CC XJ1323 [1,1,0,0,0,0|1,0,1]=4 388 B5R0.3 CC(CO)CO JZ1881 [1,1,0,0,0,0|1,1,0]=4 389 B5R0.3 CCC(=O)NC JZ4434 [1,1,0,0,0,0|1,0,1]=4 390 B5R0.3 CCC(Br)CC XJ1961 [1,1,0,0,0,0|1,0,0]=3 391 B5R0.3 CCC(C)C=O LL0224 [1,1,0,0,0,0|1,0,1]=4 392 B5R0.3 CCC(C)CBr LQ2987 [1,1,0,0,0,0|1,0,0]=3 393 B5R0.3 CCC(C)CBr LQ3410 [1,1,0,0,0,0|1,0,0]=3 394 B5R0.3 CCC(C)CC LL0223 [1,1,0,0,0,0|1,0,0]=3 395 B5R0.3 CCC(C)CCl LQ1182 [1,1,0,0,0,0|1,0,0]=3 396 B5R0.3 CCC(C)CO LL0587 [1,1,0,0,0,0|1,0,0]=3 397 B5R0.3 CCC(C)NC LQ3344 [1,1,0,0,0,0|1,0,0]=3 398 B5R0.3 CCC(Cl)CCl LQ1184 [1,1,0,0,0,0|1,0,0]=3 399 B5R0.3 CCC(N)CC LQ1186 [1,1,0,0,0,0|1,0,0]=3 400 B5R0.3 CCC(N)CO LL0227 [1,1,0,0,0,0|1,0,0]=3 401 B5R0.3 CCC(S)CS XJ4247 [1,1,0,0,0,0|1,0,0]=3 402 B5R0.3 CCN(C)CC LQ1190 [1,1,0,0,0,0|2,0,0]=4 403 B5R0.3 CCN(O)CC HL2577 [1,1,0,0,0,0|2,0,0]=4 404 B5R0.3 CC[C@@H](C)CO LQ1183 [1,1,0,0,0,0|1,0,0]=3 405 B5R0.3 CC[C@@H](O)CO LQ5013 [1,1,0,0,0,0|1,0,0]=3 406 B5R0.3 CC[C@H](C)CBr LL0949 [1,1,0,0,0,0|1,0,0]=3 407 B5R0.3 CC[C@H](O)CO HL4502 [1,1,0,0,0,0|1,0,0]=3 408 B5R0.3 COC(=O)CN RT5049 [1,1,0,0,0,0|0,1,1]=4 409 B5R0.3 NC(CO)CO LL1303 [1,1,0,0,0,0|1,1,0]=4 410 B5R0.3 NCC(O)CN LQ1188 [1,1,0,0,0,0|1,0,0]=3 411 B5R0.3 NCC(O)CO JZ0486 [1,1,0,0,0,0|0,1,0]=3 412 B5R0.3 NC[C@H](O)CO YH09994 [1,1,0,0,0,0|0,1,0]=3 413 B5R0.3 NC[C@H](O)CO YH45696 [1,1,0,0,0,0|0,1,0]=3 414 B5R0.3 OC(CBr)CBr LL0228 [1,1,0,0,0,0|2,0,0]=4 415 B5R0.3 OC(CCl)CCl LL0229 [1,1,0,0,0,0|2,0,0]=4 416 B5R0.3 OCC(Br)CBr LL0222 [1,1,0,0,0,0|1,1,0]=4 417 B5R0.3 OCC(Br)CO RT0384 [1,1,0,0,0,0|1,1,0]=4 418 B5R0.3 OCC(Cl)CCl LQ1185 [1,1,0,0,0,0|1,1,0]=4 419 B5R0.3 OCC(Cl)CO RT1084 [1,1,0,0,0,0|1,1,0]=4 420 B5R0.3 OCC(O)CBr RT0218 [1,1,0,0,0,0|1,1,0]=4 421 B5R0.3 OCC(O)CCl LL0230 [1,1,0,0,0,0|1,1,0]=4 422 B5R0.3 OCC(O)CI RT1254 [1,1,0,0,0,0|1,1,0]=4 423 B5R0.3 OCC(O)CO LT6375 [1,1,0,0,0,0|1,1,0]=4 424 B5R0.3 OCC(O)CO RT14397 [1,1,0,0,0,0|1,1,0]=4 425 B5R0.3 OCC(O)CO XJ4849 [1,1,0,0,0,0|1,1,0]=4 426 B5R0.3 OCC(O)CS LL0232 [1,1,0,0,0,0|1,0,0]=3 427 B5R0.3 OC[C@H](O)CBr YH33404 [1,1,0,0,0,0|1,1,0]=4 428 B5R0.3 OC[C@H](O)CCl LT5275 [1,1,0,0,0,0|1,1,0]=4 429 B5R0.3 O[13CH2][13CH](O)[13CH2]O RT1008 [1,1,0,0,0,0|1,1,0]=4 430 B7R0.2 CC(C)C[C@@H](N)CO LT4736 [0,2,0,0,0,0|2,0,0]=4 431 B7R0.2 CCC(C)CC(C)C XJ0315 [0,2,0,0,0,0|2,0,0]=4 432 B7R0.2 CN(C)CC(O)CO JZ0329 [0,2,0,0,0,0|2,0,0]=4 433 B7R0.2 NCC(O)CC(=O)O YH66693 [0,2,0,0,0,0|2,0,0]=4 434 B7R0.2 [C@@H](N)(CO)CC(C)C JZ1582 [0,2,0,0,0,0|2,0,0]=4 435 B7R0.3 C#CC(O)CCCC JZ3102 [0,2,0,0,0,0|2,0,0]=4 436 B7R0.3 CCCCC(=O)CC XJ0362 [0,2,0,0,0,0|2,0,0]=4 437 B7R0.3 CCCCC(=O)NC HL3084 [0,2,0,0,0,0|1,0,1]=4 438 B7R0.3 CCCCC(=O)NN LQ4942 [0,2,0,0,0,0|1,0,1]=4 439 B7R0.3 CCCCC(C)CC HL0067 [0,2,0,0,0,0|2,0,0]=4 440 B7R0.3 CCCCC(O)CO RT17609 [0,2,0,0,0,0|2,0,0]=4 441 B7R0.3 CCCC\C(N)=N\O YH13028 [0,2,0,0,0,0|1,0,1]=4 442 B7R0.3 CCCOC(=O)CN LQ3564 [0,2,0,0,0,0|1,0,1]=4 443 B7R0.3 CCOCC(O)CCl HL2668 [0,2,0,0,0,0|1,1,0]=4 444 B7R0.3 COC(=O)CCCCl LT5164 [0,2,0,0,0,0|1,1,0]=4 445 B7R0.3 COC(=O)CCCO RT0271 [0,2,0,0,0,0|1,1,0]=4 446 B7R0.3 COC(=O)CCSC LQ3661 [0,2,0,0,0,0|1,0,1]=4 447 B7R0.3 COCO[C@@H](C)CO CJ3006 [0,2,0,0,0,0|1,1,0]=4 448 B7R0.3 COCO[C@H](C)CO CJ2789 [0,2,0,0,0,0|1,1,0]=4 449 B7R0.5 CCCC(O)C(C)C LQ1202 [0,2,0,0,0,0|2,0,0]=4 450 B7R0.5 CSCC(C)C(=O)O RT5786 [0,2,0,0,0,0|1,0,1]=4 451 B7R0.5 CSC[C@H](N)C(=O)O JZ4436 [0,2,0,0,0,0|1,0,1]=4 452 B7R0.5 NCC[C@@H](N)C(=O)O JZ5728 [0,2,0,0,0,0|2,0,0]=4 453 B7R0.5 NCC[C@H](N)C(=O)O LQ1967 [0,2,0,0,0,0|2,0,0]=4 454 B7R0.5 NCC[C@H](O)C(=O)O LT4053 [0,2,0,0,0,0|2,0,0]=4 455 B7R0.7 C=CCC(O)CCC JZ2295 [0,2,0,0,0,0|2,0,0]=4 456 B7R0.7 CC(CCBr)CCBr XJ2711 [0,2,0,0,0,0|2,0,0]=4 457 B7R0.7 CC(CCO)CCO XJ2710 [0,2,0,0,0,0|2,0,0]=4 458 B7R0.7 CCCC(Br)CCC HL0633 [0,2,0,0,0,0|2,0,0]=4 459 B7R0.7 CCCN(C)CCC HL2547 [0,2,0,0,0,0|2,0,0]=4 460 B7R0.7 CCCS(=O)CCC LQ2622 [0,2,0,0,0,0|2,0,0]=4 461 B7R0.7 CCOC(=O)CCN LT4188 [0,2,0,0,0,0|0,1,1]=4 462 B7R0.7 COCC(O)COC XJ1152 [0,2,0,0,0,0|1,1,0]=4 463 B7R0.7 C\C=C\C(O)CCC JZ2612 [0,2,0,0,0,0|2,0,0]=4 464 B7R0.10 CCC(C)C(N)CO LT7578 [0,2,0,0,0,0|2,0,0]=4 465 B7R0.11 CCCC(C)(Cl)CC LQ5130 [0,2,0,0,0,0|2,0,0]=4 466 B7R0.11 CCCC(C)(O)CC LQ1129 [0,2,0,0,0,0|2,0,0]=4 467 B7R0.11 COC(C)(C)CCO HL4652 [0,2,0,0,0,0|1,1,0]=4 468 B7R0.11 COCC(C)(O)CCl LT2283 [0,2,0,0,0,0|1,1,0]=4 469 B7R0.12 CCCC(CO)CO LT1803 [0,2,0,0,0,0|2,0,0]=4 470 B7R0.12 CCN(CC)CCN HL1261 [0,2,0,0,0,0|2,0,0]=4 471 B7R0.12 COC(CSC)OC LT1531 [0,2,0,0,0,0|2,0,0]=4 472 B7R0.4 C=CCCCC(C)C JZ3497 [0,2,0,0,0,0|2,0,0]=4 473 B7R0.4 CC(=O)SCCCBr RT1374 [0,2,0,0,0,0|1,0,0]=3 474 B7R0.4 CC(C)CCCC=O RT0513 [0,2,0,0,0,0|2,0,0]=4 475 B7R0.4 CC(C)CCCCO RT0516 [0,2,0,0,0,0|2,0,0]=4 476 B7R0.4 CC(C)OCCCN LT2607 [0,2,0,0,0,0|0,1,0]=3 477 B7R0.4 CCCCCC(C)C HL0115 [0,2,0,0,0,0|2,0,0]=4 478 B7R0.4 CCCCCC(C)N JZ2985 [0,2,0,0,0,0|1,0,0]=3 479 B7R0.4 CCCCCC(C)N XJ0515 [0,2,0,0,0,0|1,0,0]=3 480 B7R0.4 CCCCCC(N)=O HL0268 [0,2,0,0,0,0|1,0,0]=3 481 B7R0.4 CCCCC[C@H](C)O JZ2825 [0,2,0,0,0,0|2,0,0]=4 482 B7R0.4 CCCCNC(N)=S LQ1811 [0,2,0,0,0,0|1,0,1]=4 483 B7R0.4 CCCCOC(C)=O HL1469 [0,2,0,0,0,0|1,1,0]=4 484 B7R0.4 CCCCOC(N)=O LT4346 [0,2,0,0,0,0|1,0,1]=4 485 B7R0.4 CCCCSC(C)=O LQ1519 [0,2,0,0,0,0|1,0,0]=3 486 B7R0.4 CCCNCC(C)O RT1462 [0,2,0,0,0,0|2,0,0]=4 487 B7R0.4 CCNCCN(C)C XJ0516 [0,2,0,0,0,0|2,0,0]=4 488 B7R0.4 CN(C)CCCCN JZ2305 [0,2,0,0,0,0|1,0,0]=3 489 B7R0.4 CNCCCC(=O)O RT0333 [0,2,0,0,0,0|2,0,0]=4 490 B7R0.4 CS(=O)CCCCN RT4961 [0,2,0,0,0,0|0,0,1]=3 491 B7R0.4 C[S@@](=O)CCCCN RT4965 [0,2,0,0,0,0|0,0,1]=3 492 B7R0.6 CC(=O)CCC(C)C LL0404 [0,2,0,0,0,0|2,0,0]=4 493 B7R0.6 CC(Br)CCC(C)Br LQ4435 [0,2,0,0,0,0|2,0,0]=4 494 B7R0.6 CC(C)CCC(C)C HL0113 [0,2,0,0,0,0|2,0,0]=4 495 B7R0.6 CC(C)CCC(C)N RT0214 [0,2,0,0,0,0|1,0,0]=3 496 B7R0.6 CC(C)CCC(C)O HL0260 [0,2,0,0,0,0|2,0,0]=4 497 B7R0.6 CC(O)CCC(C)O JZ2163 [0,2,0,0,0,0|2,0,0]=4 498 B7R0.8 CCCCC(C)(C)Cl JZ2528 [0,2,0,0,0,0|2,0,0]=4 499 B7R0.8 CCCC[N+](C)(C)C XJ4032 [0,2,0,0,0,0|2,0,0]=4 500 B7R0.8 CS(=O)(=O)SCCN RT4834 [0,2,0,0,0,0|1,0,1]=4 501 B7R0.8 CS(=O)(=S)OCCN RT17812 [0,2,0,0,0,0|1,0,1]=4 502 B7R0.1 C#CCCCCCC LQ1243 [0,2,0,0,0,0|2,0,0]=4 503 B7R0.1 C#CCCCCCO RT14015 [0,2,0,0,0,0|2,0,0]=4 504 B7R0.1 C=CCSSCCC LT3401 [0,2,0,0,0,0|2,0,0]=4 505 B7R0.1 CCCC#CCCC JZ1797 [0,2,0,0,0,0|2,0,0]=4 506 B7R0.1 CCCCC#CCO HL0563 [0,2,0,0,0,0|2,0,0]=4 507 B7R0.1 CCCCCCC#N LQ1245 [0,2,0,0,0,0|1,0,1]=4 508 B7R0.1 CCCCCCCC XJ0405 [0,2,0,0,0,0|2,0,0]=4 509 B7R0.1 CCCCCCCCl LQ1244 [0,2,0,0,0,0|2,0,0]=4 510 B7R0.1 CCCCCCCN XJ0408 [0,2,0,0,0,0|1,0,0]=3 511 B7R0.1 CCCCCCCS HL0937 [0,2,0,0,0,0|2,0,0]=4 512 B7R0.1 CCCCCC[Mg]Cl LQ5137 [0,2,0,0,0,0|2,0,0]=4 513 B7R0.1 CCCCCN=C=O JZ2397 [0,2,0,0,0,0|1,0,1]=4 514 B7R0.1 CCCCCNCC JZ5218 [0,2,0,0,0,0|1,0,0]=3 515 B7R0.1 CCCCCON=O LQ0831 [0,2,0,0,0,0|1,0,1]=4 516 B7R0.1 CCCCNCCC LQ4205 [0,2,0,0,0,0|2,0,0]=4 517 B7R0.1 CCCCOCCO XJ0413 [0,2,0,0,0,0|1,1,0]=4 518 B7R0.1 CCCCSCC#N XJ6193 [0,2,0,0,0,0|1,0,0]=3 519 B7R0.1 CCCSSCCC LQ1250 [0,2,0,0,0,0|2,0,0]=4 520 B7R0.1 CCC\C=C/CCC LQ3284 [0,2,0,0,0,0|2,0,0]=4 521 B7R0.1 CCC\C=C/CCO JZ4690 [0,2,0,0,0,0|2,0,0]=4 522 B7R0.1 CCNCCNCC XJ0412 [0,2,0,0,0,0|2,0,0]=4 523 B7R0.1 CCOCCCCCl XJ5238 [0,2,0,0,0,0|1,1,0]=4 524 B7R0.1 CCOCCCCO LT2386 [0,2,0,0,0,0|1,1,0]=4 525 B7R0.1 CC\C=C/CCCO XJ3057 [0,2,0,0,0,0|2,0,0]=4 526 B7R0.1 COCCOCCCl YH05405 [0,2,0,0,0,0|1,1,0]=4 527 B7R0.1 COCCOCCO XJ0414 [0,2,0,0,0,0|1,1,0]=4 528 B7R0.1 C\C=C\CCCCC XJ0407 [0,2,0,0,0,0|2,0,0]=4 529 B7R0.1 ClCCCCCCI XJ5164 [0,2,0,0,0,0|2,0,0]=4 530 B7R0.1 FCCCCCCBr XJ0714 [0,2,0,0,0,0|2,0,0]=4 531 B7R0.1 ICCCCCCI LQ1246 [0,2,0,0,0,0|2,0,0]=4 532 B7R0.1 N#CCCCCCN XJ2152 [0,2,0,0,0,0|1,0,0]=3 533 B7R0.1 NCCCCCCBr RT0122 [0,2,0,0,0,0|1,0,0]=3 534 B7R0.1 NCCCCCCN RT0396 [0,2,0,0,0,0|1,0,0]=3 535 B7R0.1 NCCCNCCBr YH48383 [0,2,0,0,0,0|1,0,0]=3 536 B7R0.1 NCCCNCCN LQ3660 [0,2,0,0,0,0|1,0,0]=3 537 B7R0.1 NCCCNCCO XJ2715 [0,2,0,0,0,0|1,0,0]=3 538 B7R0.1 NCCCNCCS RT17267 [0,2,0,0,0,0|1,0,0]=3 539 B7R0.1 NCCSSCCN LQ0038 [0,2,0,0,0,0|1,0,0]=3 540 B7R0.1 NCCSSCCN LT4716 [0,2,0,0,0,0|1,0,0]=3 541 B7R0.1 OCCCCCCCl LT3732 [0,2,0,0,0,0|2,0,0]=4 542 B7R0.1 OCCCCCCS HL0924 [0,2,0,0,0,0|2,0,0]=4 543 B7R0.1 OCCCNCCCl RT0430 [0,2,0,0,0,0|2,0,0]=4 544 B7R0.1 OCCSSCCO LQ1989 [0,2,0,0,0,0|2,0,0]=4 545 B7R0.1 SCCCCCCS JZ4451 [0,2,0,0,0,0|2,0,0]=4 546 B5R1.1 C1=CCNC1 LL0398 [1,0,0,1,0,0|0,0,2]=4 547 B5R1.1 C1=CCNC1 YH11319 [1,0,0,1,0,0|0,0,2]=4 548 B5R1.1 C1CCCC1 LT4684 [1,0,0,1,0,0|1,0,0]=3 549 B5R1.1 C1CCCC1 LT5516 [1,0,0,1,0,0|1,0,0]=3 550 B5R1.1 C1CCCC1 XJ1692 [1,0,0,1,0,0|1,0,0]=3 551 B5R1.1 C1CCNC1 JZ1776 [1,0,0,1,0,0|0,0,0]=2 552 B5R1.1 C1CCOC1 JZ5471 [1,0,0,1,0,0|0,1,0]=3 553 B5R1.1 C1CCOC1 LL0399 [1,0,0,1,0,0|0,1,0]=3 554 B5R1.1 C1CCOC1 LQ4465 [1,0,0,1,0,0|0,1,0]=3 555 B5R1.1 C1CNCN1 XJ0880 [1,0,0,1,0,0|1,0,0]=3 556 B5R1.1 C1COCN1 RT14144 [1,0,0,1,0,0|0,1,0]=3 557 B5R1.2 BrC1CCC1 LT7156 [1,0,0,1,0,0|1,0,0]=3 558 B5R1.2 FC1CNC1 RT4119 [1,0,0,1,0,0|2,0,0]=4 559 B5R1.2 FC1CNC1 YH65878 [1,0,0,1,0,0|2,0,0]=4 560 B5R1.2 IC1COC1 YH65509 [1,0,0,1,0,0|1,1,0]=4 561 B5R1.2 NC1COC1 LQ4263 [1,0,0,1,0,0|0,1,0]=3 562 B5R1.2 NC1COC1 YH65543 [1,0,0,1,0,0|0,1,0]=3 563 B5R1.2 O=C1CCC1 LT7155 [1,0,0,1,0,0|1,0,1]=4 564 B5R1.2 O=C1CSC1 YH65134 [1,0,0,1,0,0|1,0,1]=4 565 B5R1.2 OC1CCC1 JZ2141 [1,0,0,1,0,0|1,0,0]=3 566 B5R1.2 OC1CNC1 LQ5145 [1,0,0,1,0,0|2,0,0]=4 567 B5R1.2 OC1CNC1 LX2402 [1,0,0,1,0,0|2,0,0]=4 568 B5R1.2 OC1COC1 JZ3200 [1,0,0,1,0,0|1,1,0]=4 569 B5R1.3 BrCC1CC1 LT6195 [1,0,0,1,0,0|1,0,0]=3 570 B5R1.3 BrCC1CO1 LQ2403 [1,0,0,1,0,0|1,1,0]=4 571 B5R1.3 Br[Mg]C1CC1 XJ4727 [1,0,0,1,0,0|2,0,0]=4 572 B5R1.3 CNC1CC1 YH13207 [1,0,0,1,0,0|1,0,0]=3 573 B5R1.3 ClCC1CO1 RT15055 [1,0,0,1,0,0|1,1,0]=4 574 B5R1.3 ClC[C@H]1CO1 LQ5216 [1,0,0,1,0,0|1,1,0]=4 575 B5R1.3 NCC1CC1 HL2308 [1,0,0,1,0,0|0,0,0]=2 576 B5R1.3 O=CC1CC1 HL0901 [1,0,0,1,0,0|1,0,1]=4 577 B5R1.3 OCC1CC1 LT7741 [1,0,0,1,0,0|1,0,0]=3 578 B5R1.3 OC[C@@H]1CO1 XJ5771 [1,0,0,1,0,0|1,1,0]=4 579 B5R1.3 [C@H]1(CO)CO1 XJ5900 [1,0,0,1,0,0|1,1,0]=4 580 B5R1.4 CC1OC1C XJ2416 [1,0,0,1,0,0|2,0,0]=4 581 B5R1.4 C[C@@H]1O[C@@H]1C XJ1886 [1,0,0,1,0,0|2,0,0]=4 582 B7R1.1 BrCC1CCCO1 JZ4457 [0,1,0,1,0,0|2,0,0]=4 583 B7R1.1 Br[Mg]C1CCCC1 YH54994 [0,1,0,1,0,0|2,0,0]=4 584 B7R1.1 C#CC1CCCC1 LQ1549 [0,1,0,1,0,0|2,0,0]=4 585 B7R1.1 CCC1=NCCC1 RT14089 [0,1,0,1,0,0|1,0,1]=4 586 B7R1.1 CCN1CCCC1 LQ3265 [0,1,0,1,0,0|2,0,0]=4 587 B7R1.1 CNC1CCOC1 YH51455 [0,1,0,1,0,0|0,1,0]=3 588 B7R1.1 CN[C@@H]1CCNC1 YH33765 [0,1,0,1,0,0|1,0,0]=3 589 B7R1.1 COC1CCCC1 JZ2800 [0,1,0,1,0,0|1,1,0]=4 590 B7R1.1 CO[C@@H]1CCNC1 RT17416 [0,1,0,1,0,0|0,1,0]=3 591 B7R1.1 ClCC1=NCCN1 LT2285 [0,1,0,1,0,0|2,0,0]=4 592 B7R1.1 N#CC1CCCC1 LQ2602 [0,1,0,1,0,0|1,0,1]=4 593 B7R1.1 N#C[C@@H]1CCCN1 XJ6095 [0,1,0,1,0,0|1,0,1]=4 594 B7R1.1 NCC1CCCN1 YH08114 [0,1,0,1,0,0|1,0,0]=3 595 B7R1.1 NCC1CCNC1 YH13177 [0,1,0,1,0,0|1,0,0]=3 596 B7R1.1 O=CC1CCCC1 XJ1419 [0,1,0,1,0,0|2,0,0]=4 597 B7R1.1 OCC1CC=CC1 YH65504 [0,1,0,1,0,0|2,0,0]=4 598 B7R1.1 OCC1CCCN1 RT14572 [0,1,0,1,0,0|1,0,0]=3 599 B7R1.1 OCC1CCCO1 YH98620 [0,1,0,1,0,0|2,0,0]=4 600 B7R1.1 OC[C@@H]1CCCN1 LT7573 [0,1,0,1,0,0|1,0,0]=3 601 B7R1.1 OC[C@@H]1CCCN1 LT7642 [0,1,0,1,0,0|1,0,0]=3 602 B7R1.1 OC[C@@H]1CCNC1 LL1852 [0,1,0,1,0,0|2,0,0]=4 603 B7R1.1 OC[C@H]1CCNC1 LL1853 [0,1,0,1,0,0|2,0,0]=4 604 B7R1.2 CC1CCC(=O)C1 XJ1883 [0,1,0,1,0,0|2,0,0]=4 605 B7R1.2 CC1CCC(C)O1 HL0575 [0,1,0,1,0,0|2,0,0]=4 606 B7R1.2 CN1CCC(O)C1 LX2405 [0,1,0,1,0,0|2,0,0]=4 607 B7R1.2 CN1CC[C@@H](N)C1 YH88427 [0,1,0,1,0,0|1,0,0]=3 608 B7R1.2 CN1CC[C@@H](O)C1 YH22686 [0,1,0,1,0,0|2,0,0]=4 609 B7R1.2 CN1CC[C@H](N)C1 YH66272 [0,1,0,1,0,0|1,0,0]=3 610 B7R1.2 CN1CC[C@H](O)C1 XJ6769 [0,1,0,1,0,0|2,0,0]=4 611 B7R1.2 N[C@@H]1CC[C@@H](O)C1 YH65478 [0,1,0,1,0,0|1,0,0]=3 612 B7R1.2 N[C@@H]1CC[C@H](F)C1 RT0640 [0,1,0,1,0,0|1,0,0]=3 613 B7R1.2 N[C@H]1CC[C@@H](O)C1 YH24807 [0,1,0,1,0,0|1,0,0]=3 614 B7R1.2 N[C@H]1CC[C@H](O)C1 YH65948 [0,1,0,1,0,0|1,0,0]=3 615 B7R1.2 O=C1CC(O)CN1 RT4517 [0,1,0,1,0,0|2,0,0]=4 616 B7R1.2 O=C1C[C@@H](O)CN1 RT3914 [0,1,0,1,0,0|2,0,0]=4 617 B7R1.2 O=C1C[C@H](O)CN1 M0400303 [0,1,0,1,0,0|2,0,0]=4 618 B7R1.3 BrC1CCOCC1 YH49891 [0,1,0,1,0,0|1,1,0]=4 619 B7R1.3 CC1=CCCCC1 HL0101 [0,1,0,1,0,0|2,0,0]=4 620 B7R1.3 CC1CCCCC1 LQ0421 [0,1,0,1,0,0|2,0,0]=4 621 B7R1.3 CC1CCCCN1 LQ0427 [0,1,0,1,0,0|1,0,0]=3 622 B7R1.3 CC1CCNCC1 HL0233 [0,1,0,1,0,0|1,0,0]=3 623 B7R1.3 CC1COCCN1 YH00913 [0,1,0,1,0,0|1,0,0]=3 624 B7R1.3 CN1CCNCC1 JZ0117 [0,1,0,1,0,0|2,0,0]=4 625 B7R1.3 CN1CCNCC1 RT14568 [0,1,0,1,0,0|2,0,0]=4 626 B7R1.3 CN1CCOCC1 LT7334 [0,1,0,1,0,0|2,0,0]=4 627 B7R1.3 C[C@@H]1CCCCN1 YH66554 [0,1,0,1,0,0|1,0,0]=3 628 B7R1.3 C[C@@H]1COCCN1 XJ6283 [0,1,0,1,0,0|1,0,0]=3 629 B7R1.3 C[C@@H]1COCCN1 YH65950 [0,1,0,1,0,0|1,0,0]=3 630 B7R1.3 C[C@H]1CCCCN1 JZ2253 [0,1,0,1,0,0|1,0,0]=3 631 B7R1.3 C[C@H]1CCCNC1 HL0232 [0,1,0,1,0,0|1,0,0]=3 632 B7R1.3 C[C@H]1CNCCN1 HL4115 [0,1,0,1,0,0|1,0,0]=3 633 B7R1.3 C[C@H]1CNCCN1 YH16978 [0,1,0,1,0,0|1,0,0]=3 634 B7R1.3 ClC1CCNCC1 XJ2904 [0,1,0,1,0,0|1,0,0]=3 635 B7R1.3 FC1CCNCC1 XJ5827 [0,1,0,1,0,0|1,0,0]=3 636 B7R1.3 IC1CCCCC1 HL0234 [0,1,0,1,0,0|2,0,0]=4 637 B7R1.3 N=C1CCCCN1 LT0382 [0,1,0,1,0,0|1,0,1]=4 638 B7R1.3 NC1=NCCCN1 RT4093 [0,1,0,1,0,0|1,0,1]=4 639 B7R1.3 NC1=NCCCN1 YH00406 [0,1,0,1,0,0|1,0,1]=4 640 B7R1.3 NC1CCCCC1 JZ0026 [0,1,0,1,0,0|1,0,0]=3 641 B7R1.3 NC1CCCCC1 LT4681 [0,1,0,1,0,0|1,0,0]=3 642 B7R1.3 NC1CCCCC1 RT1317 [0,1,0,1,0,0|1,0,0]=3 643 B7R1.3 NC1CCCNC1 YH06108 [0,1,0,1,0,0|1,0,0]=3 644 B7R1.3 NC1CCCNC1 YH33541 [0,1,0,1,0,0|1,0,0]=3 645 B7R1.3 NC1CCNCC1 LQ3556 [0,1,0,1,0,0|1,0,0]=3 646 B7R1.3 NC1CCNCC1 LQ4843 [0,1,0,1,0,0|1,0,0]=3 647 B7R1.3 NC1CCOCC1 LT5833 [0,1,0,1,0,0|0,1,0]=3 648 B7R1.3 NC1CCOCC1 YH54791 [0,1,0,1,0,0|0,1,0]=3 649 B7R1.3 NN1CCCCC1 RT4329 [0,1,0,1,0,0|1,0,0]=3 650 B7R1.3 NN1CCCCC1 XJ2051 [0,1,0,1,0,0|1,0,0]=3 651 B7R1.3 N[C@@H]1CCCNC1 YH55144 [0,1,0,1,0,0|1,0,0]=3 652 B7R1.3 N[C@H]1CCCNC1 HL4050 [0,1,0,1,0,0|1,0,0]=3 653 B7R1.3 N[C@H]1CCCNC1 LT0322 [0,1,0,1,0,0|1,0,0]=3 654 B7R1.3 O=C1CCCCC1 LQ0425 [0,1,0,1,0,0|2,0,0]=4 655 B7R1.3 O=C1CCCNC1 YH04125 [0,1,0,1,0,0|1,0,0]=3 656 B7R1.3 O=C1CCCNC1 YH10216 [0,1,0,1,0,0|1,0,0]=3 657 B7R1.3 O=C1CCNCC1 YH00798 [0,1,0,1,0,0|1,0,1]=4 658 B7R1.3 O=C1CNCCN1 XJ2918 [0,1,0,1,0,0|2,0,0]=4 659 B7R1.3 O=C1COCCN1 LQ0428 [0,1,0,1,0,0|2,0,0]=4 660 B7R1.3 O=C1NCCCO1 YH05298 [0,1,0,1,0,0|0,1,1]=4 661 B7R1.3 OC1CCCCN1 LQ5146 [0,1,0,1,0,0|1,0,0]=3 662 B7R1.3 OC1CCCNC1 HL4242 [0,1,0,1,0,0|1,0,0]=3 663 B7R1.3 OC1CCCNC1 LT6809 [0,1,0,1,0,0|1,0,0]=3 664 B7R1.3 OC1CCCOC1 RT0503 [0,1,0,1,0,0|1,1,0]=4 665 B7R1.3 OC1CCCSC1 RT19790 [0,1,0,1,0,0|1,0,0]=3 666 B7R1.3 OC1CCNCC1 RT17686 [0,1,0,1,0,0|1,0,0]=3 667 B7R1.3 OC1CCOCC1 HL2134 [0,1,0,1,0,0|1,1,0]=4 668 B7R1.3 OC1CCOCC1 YH45458 [0,1,0,1,0,0|1,1,0]=4 669 B7R1.3 OC1COCOC1 LL1585 [0,1,0,1,0,0|1,1,0]=4 670 B7R1.3 ON1CCCCC1 LT0352 [0,1,0,1,0,0|1,0,0]=3 671 B7R1.3 O[C@@H]1CCCNC1 LT0319 [0,1,0,1,0,0|1,0,0]=3 672 B7R1.3 O[C@H]1CCCNC1 HL4109 [0,1,0,1,0,0|1,0,0]=3 673 B7R1.3 [C@@H]1(C)CNCCN1 LT6105 [0,1,0,1,0,0|1,0,0]=3 674 B7R1.4 CC1CCCC1N RT0500 [0,1,0,1,0,0|1,0,0]=3 675 B7R1.4 CC1CCCC1O XJ4791 [0,1,0,1,0,0|2,0,0]=4 676 B7R1.4 CC1CCNC1=O YH49833 [0,1,0,1,0,0|2,0,0]=4 677 B7R1.4 CC1SCCC1=O LT1812 [0,1,0,1,0,0|1,0,1]=4 678 B7R1.4 CN1CCCC1=O RT4374 [0,1,0,1,0,0|2,0,0]=4 679 B7R1.4 CN1CCCC1=O XJ2240 [0,1,0,1,0,0|2,0,0]=4 680 B7R1.4 CN1CCCC1=S LQ3417 [0,1,0,1,0,0|2,0,0]=4 681 B7R1.4 NC1CCCC1O YH93843 [0,1,0,1,0,0|1,0,0]=3 682 B7R1.4 NC1CCNC1=O YH49305 [0,1,0,1,0,0|1,0,1]=4 683 B7R1.4 NC1CCOC1=O LT3746 [0,1,0,1,0,0|0,1,1]=4 684 B7R1.4 NC1CCOC1=O LT3981 [0,1,0,1,0,0|0,1,1]=4 685 B7R1.4 NC1CCSC1=O LT5282 [0,1,0,1,0,0|0,0,1]=3 686 B7R1.4 N[C@@H]1CCC[C@H]1O LT5725 [0,1,0,1,0,0|1,0,0]=3 687 B7R1.4 N[C@@H]1CCC[C@H]1O RT0409 [0,1,0,1,0,0|1,0,0]=3 688 B7R1.4 N[C@@H]1CCC[C@H]1O YH54046 [0,1,0,1,0,0|1,0,0]=3 689 B7R1.4 N[C@@H]1CCOC1=O LL1835 [0,1,0,1,0,0|0,1,1]=4 690 B7R1.4 N[C@@H]1COC[C@@H]1O RT4250 [0,1,0,1,0,0|0,1,0]=3 691 B7R1.4 N[C@H]1COC[C@H]1O RT4251 [0,1,0,1,0,0|0,1,0]=3 692 B7R1.6 ClCCN1CCC1 YH26565 [0,1,0,1,0,0|2,0,0]=4 693 B7R1.25 CC1(CO)COC1 SY0220 [0,1,0,1,0,0|1,1,0]=4 694 B7R1.7 C=CCCC1CO1 YH22163 [0,1,0,1,0,0|1,1,0]=4 695 B7R1.7 C=CCC[C@H]1CO1 YH66356 [0,1,0,1,0,0|1,1,0]=4 696 B7R1.14 CC1(C)CCCO1 HL0572 [0,1,0,1,0,0|2,0,0]=4 697 B7R1.14 CC1(C)COCN1 LT2687 [0,1,0,1,0,0|2,0,0]=4 698 B7R1.14 C[N+]1(C)CCCC1 RT4096 [0,1,0,1,0,0|2,0,0]=4 699 B7R1.14 FC1(F)CCNC1 LL2384 [0,1,0,1,0,0|2,0,0]=4 700 B7R1.14 FC1(F)CCNC1 YH65430 [0,1,0,1,0,0|2,0,0]=4 701 B7R1.14 O=S1(=O)CCCN1 CJ3206 [0,1,0,1,0,0|1,0,1]=4 702 B7R1.18 O=C(O)[C@@H]1CCN1 RT5004 [0,1,0,1,0,0|2,0,0]=4 703 B7R1.24 C1CCCCCC1 LL0631 [0,1,0,1,0,0|2,0,0]=4 704 B7R1.24 C1CCCNCC1 XJ0396 [0,1,0,1,0,0|1,0,0]=3 705 B7R1.24 C1CCCOCC1 LQ1074 [0,1,0,1,0,0|1,1,0]=4 706 B7R1.24 C1CCCSCC1 RT17551 [0,1,0,1,0,0|1,0,0]=3 707 B7R1.24 C1CNCCNC1 JZ0121 [0,1,0,1,0,0|1,0,0]=3 708 B7R2.13 C1NCC2CC12 YH16432 [0,0,0,2,0,0|1,0,0]=3 709 B7R2.13 C1NCC2CC12 YH51935 [0,0,0,2,0,0|1,0,0]=3 710 B7R2.13 C1OCC2OC12 LL0620 [0,0,0,2,0,0|1,1,0]=4