0 B8R0.4 C#CCCCCCC#C JZ1986 [0,0,0,0,0,0|1,0,3]=4 1 B8R0.4 C#CCCCCCCC LQ2434 [0,0,0,0,0,0|1,0,1]=2 2 B8R0.4 C#CCCCCCCO RT0526 [0,0,0,0,0,0|0,0,2]=2 3 B8R0.4 C=CCCCCCCC HL1481 [0,0,0,0,0,0|1,0,1]=2 4 B8R0.4 CCC#CCC#CCO RT14011 [0,0,0,0,0,0|0,0,4]=4 5 B8R0.4 CCCCC#CCCO JZ4975 [0,0,0,0,0,0|0,0,2]=2 6 B8R0.4 CCCCCC#CCO XJ4574 [0,0,0,0,0,0|0,0,2]=2 7 B8R0.4 CCCCCCCC#N HL1482 [0,0,0,0,0,0|1,0,1]=2 8 B8R0.4 CCCCCCCCBr XJ0418 [0,0,0,0,0,0|1,0,0]=1 9 B8R0.4 CCCCCCCCC XJ0421 [0,0,0,0,0,0|1,0,0]=1 10 B8R0.4 CCCCCCCCI LQ1253 [0,0,0,0,0,0|1,0,0]=1 11 B8R0.4 CCCCCCCCN YH24980 [0,0,0,0,0,0|1,0,0]=1 12 B8R0.4 CCCCCCCCS XJ0423 [0,0,0,0,0,0|0,1,0]=1 13 B8R0.4 CCCCCCN=C=S JZ2537 [0,0,0,0,0,0|1,1,1]=3 14 B8R0.4 CCCCCCNCC JZ5362 [0,0,0,0,0,0|2,0,0]=2 15 B8R0.4 CCCCCSCCO JZ5724 [0,0,0,0,0,0|1,0,0]=1 16 B8R0.4 CCCCOCCCC HL1566 [0,0,0,0,0,0|2,0,0]=2 17 B8R0.4 CCCCOCCCC LT4297 [0,0,0,0,0,0|2,0,0]=2 18 B8R0.4 CCCC[SnH4+2]CCCC LL0102 [0,0,0,0,0,0|2,0,0]=2 19 B8R0.4 COCCNCCOC XJ0426 [0,0,0,0,0,0|4,0,0]=4 20 B8R0.4 CSCCCCN=C=S RT1003 [0,0,0,0,0,0|2,1,1]=4 21 B8R0.4 CSCCCCN=[N+]=[N-] RT1005 [0,0,0,0,0,0|4,0,0]=4 22 B8R0.4 N#CCCCCCC#N XJ1218 [0,0,0,0,0,0|2,0,2]=4 23 B8R0.4 NCCCCCCCN XJ1217 [0,0,0,0,0,0|2,0,0]=2 24 B8R0.4 NCCCCCCCO YH43193 [0,0,0,0,0,0|1,0,0]=1 25 B8R0.4 NCCCCNCCO JZ5587 [0,0,0,0,0,0|2,0,0]=2 26 B8R0.4 NCCCNCCCN LQ0039 [0,0,0,0,0,0|3,0,0]=3 27 B8R0.4 NCCSCSCCN RT4962 [0,0,0,0,0,0|4,0,0]=4 28 B8R0.4 OCCCNCCCO YH65471 [0,0,0,0,0,0|2,0,0]=2 29 B8R0.4 [NH3+]CCSCSCC[NH3+] RT4963 [0,0,0,0,0,0|4,0,0]=4 30 B7R0.1 C#CCCCCCC LQ1243 [1,0,0,0,0,0|0,0,2]=3 31 B7R0.1 C#CCCCCCO RT14015 [1,0,0,0,0,0|0,0,2]=3 32 B7R0.1 CCCC#CCCC JZ1797 [1,0,0,0,0,0|0,0,2]=3 33 B7R0.1 CCCCC#CCO HL0563 [1,0,0,0,0,0|0,0,2]=3 34 B7R0.1 CCCCCCC#N LQ1245 [1,0,0,0,0,0|1,0,1]=3 35 B7R0.1 CCCCCCCC XJ0405 [1,0,0,0,0,0|0,0,0]=1 36 B7R0.1 CCCCCCCCl LQ1244 [1,0,0,0,0,0|1,0,0]=2 37 B7R0.1 CCCCCCCN XJ0408 [1,0,0,0,0,0|1,0,0]=2 38 B7R0.1 CCCCCCCS HL0937 [1,0,0,0,0,0|0,1,0]=2 39 B7R0.1 CCCCCC[Mg]Cl LQ5137 [1,0,0,0,0,0|2,0,0]=3 40 B7R0.1 CCCCCN=C=O JZ2397 [1,0,0,0,0,0|1,0,2]=4 41 B7R0.1 CCCCCNCC JZ5218 [1,0,0,0,0,0|1,0,0]=2 42 B7R0.1 CCCCCON=O LQ0831 [1,0,0,0,0,0|2,0,1]=4 43 B7R0.1 CCCCNCCC LQ4205 [1,0,0,0,0,0|1,0,0]=2 44 B7R0.1 CCCCOCCO XJ0413 [1,0,0,0,0,0|1,0,0]=2 45 B7R0.1 CCCCSCC#N XJ6193 [1,0,0,0,0,0|2,0,1]=4 46 B7R0.1 CCCSSCCC LQ1250 [1,0,0,0,0,0|2,0,0]=3 47 B7R0.1 CCC\C=C/CCC LQ3284 [1,0,0,0,0,0|0,0,2]=3 48 B7R0.1 CCC\C=C/CCO JZ4690 [1,0,0,0,0,0|0,0,2]=3 49 B7R0.1 CCNCCNCC XJ0412 [1,0,0,0,0,0|2,0,0]=3 50 B7R0.1 CCOCCCCCl XJ5238 [1,0,0,0,0,0|2,0,0]=3 51 B7R0.1 CCOCCCCO LT2386 [1,0,0,0,0,0|1,0,0]=2 52 B7R0.1 CC\C=C/CCCO XJ3057 [1,0,0,0,0,0|0,0,2]=3 53 B7R0.1 COCCOCCCl YH05405 [1,0,0,0,0,0|3,0,0]=4 54 B7R0.1 COCCOCCO XJ0414 [1,0,0,0,0,0|2,0,0]=3 55 B7R0.1 C\C=C\CCCCC XJ0407 [1,0,0,0,0,0|0,0,2]=3 56 B7R0.1 ClCCCCCCI XJ5164 [1,0,0,0,0,0|2,0,0]=3 57 B7R0.1 FCCCCCCBr XJ0714 [1,0,0,0,0,0|2,0,0]=3 58 B7R0.1 ICCCCCCI LQ1246 [1,0,0,0,0,0|2,0,0]=3 59 B7R0.1 N#CCCCCCN XJ2152 [1,0,0,0,0,0|2,0,1]=4 60 B7R0.1 NCCCCCCBr RT0122 [1,0,0,0,0,0|2,0,0]=3 61 B7R0.1 NCCCCCCN RT0396 [1,0,0,0,0,0|2,0,0]=3 62 B7R0.1 NCCCNCCBr YH48383 [1,0,0,0,0,0|3,0,0]=4 63 B7R0.1 NCCCNCCN LQ3660 [1,0,0,0,0,0|3,0,0]=4 64 B7R0.1 NCCCNCCO XJ2715 [1,0,0,0,0,0|2,0,0]=3 65 B7R0.1 NCCCNCCS RT17267 [1,0,0,0,0,0|2,1,0]=4 66 B7R0.1 OCCCCCCCl LT3732 [1,0,0,0,0,0|1,0,0]=2 67 B7R0.1 OCCCCCCS HL0924 [1,0,0,0,0,0|1,0,0]=2 68 B7R0.1 OCCCNCCCl RT0430 [1,0,0,0,0,0|2,0,0]=3 69 B7R0.1 OCCSSCCO LQ1989 [1,0,0,0,0,0|3,0,0]=4 70 B7R0.1 OCC\C=C\CCO RT0115 [1,0,0,0,0,0|1,0,2]=4 71 B7R0.1 SCCCCCCS JZ4451 [1,0,0,0,0,0|1,1,0]=3 72 B7R0.1 [N-]=[N+]=NCCCCO RT18776 [1,0,0,0,0,0|3,0,0]=4 73 B9R0.2 CC(C)CCCCCC=O RT1248 [0,1,0,0,0,0|0,0,2]=3 74 B9R0.2 CC(C)CCCCCCO XJ2143 [0,1,0,0,0,0|0,0,0]=1 75 B9R0.2 CC(C)CCCCCCO XJ4926 [0,1,0,0,0,0|0,0,0]=1 76 B9R0.2 CC(O)COCC#CCO XJ1839 [0,1,0,0,0,0|1,0,2]=4 77 B9R0.2 CCCCCC#CC(=O)O XJ2930 [0,1,0,0,0,0|0,0,3]=4 78 B9R0.2 CCCCCCCC(=O)[O-] HL2823 [0,1,0,0,0,0|0,0,2]=3 79 B9R0.2 CCCCCCCC(=O)[O-] HL4498 [0,1,0,0,0,0|0,0,2]=3 80 B9R0.2 CCCCCCCC(=O)[O-] LQ1024 [0,1,0,0,0,0|0,0,2]=3 81 B9R0.2 CCCCCCCC(C)=O LQ1471 [0,1,0,0,0,0|0,0,2]=3 82 B9R0.2 CCCCCCCC(C)Br XJ2055 [0,1,0,0,0,0|1,0,0]=2 83 B9R0.2 CCCCCCCC(C)C XJ1411 [0,1,0,0,0,0|1,0,0]=2 84 B9R0.2 CCCCCCCC(C)O LQ1241 [0,1,0,0,0,0|0,0,0]=1 85 B9R0.2 CN(C)CCCCCCO RT0044 [0,1,0,0,0,0|1,0,0]=2 86 B9R0.2 O=C(O)CCCCCCBr YH53191 [0,1,0,0,0,0|1,0,1]=3 87 B9R0.2 O=C(O)CCCCCCO RT17679 [0,1,0,0,0,0|1,0,1]=3 88 B9R0.5 CCCCCC(=O)CCC XJ2740 [0,1,0,0,0,0|1,0,1]=3 89 B9R0.5 CCCCCC(O)CCC LQ2960 [0,1,0,0,0,0|1,0,0]=2 90 B9R0.5 CCCCOC(=O)CCC LQ0432 [0,1,0,0,0,0|2,0,1]=4 91 B9R0.5 CCCCOC(=O)CCS XJ4276 [0,1,0,0,0,0|1,1,1]=4 92 B9R0.5 CCOC(=O)CCCCN LQ4498 [0,1,0,0,0,0|2,0,1]=4 93 B9R0.18 CCCCC(=O)CCCC XJ0861 [0,1,0,0,0,0|1,0,1]=3 94 B9R0.18 O=C(CCCCl)CCCCl YH00113 [0,1,0,0,0,0|2,0,1]=4 95 B9R0.45 C#CCCCCCCCC XJ1344 [0,1,0,0,0,0|1,0,0]=2 96 B9R0.45 C=CCCCCCCCC XJ1413 [0,1,0,0,0,0|1,0,0]=2 97 B9R0.45 CCCCC#CCCCC JZ1798 [0,1,0,0,0,0|1,0,1]=3 98 B9R0.45 CCCCCC#CCCO LQ4704 [0,1,0,0,0,0|0,0,1]=2 99 B9R0.45 CCCCCCC#CCO LQ2951 [0,1,0,0,0,0|0,0,1]=2 100 B9R0.45 CCCCCCCCCCl HL2250 [0,1,0,0,0,0|1,0,0]=2 101 B9R0.45 CCCCCCCCCI LQ2646 [0,1,0,0,0,0|1,0,0]=2 102 B9R0.45 CCCCCCCCCN XJ0441 [0,1,0,0,0,0|1,0,0]=2 103 B9R0.45 CCCCCCCCCO HL1569 [0,1,0,0,0,0|0,0,0]=1 104 B9R0.45 CCCCCCCCNC XJ2176 [0,1,0,0,0,0|1,0,0]=2 105 B9R0.45 CCCCCCCCSC LT5548 [0,1,0,0,0,0|0,1,0]=2 106 B9R0.45 CCCCCCCN=C=O JZ2577 [0,1,0,0,0,0|0,0,2]=3 107 B9R0.45 CCCCCCCN=C=S XJ2667 [0,1,0,0,0,0|0,1,1]=3 108 B9R0.45 CCCCCCOCCO XJ0443 [0,1,0,0,0,0|0,0,0]=1 109 B9R0.45 CCCCCC\C=C\C=O LQ4109 [0,1,0,0,0,0|0,0,3]=4 110 B9R0.45 CCCCOCCCCO RT1173 [0,1,0,0,0,0|0,0,0]=1 111 B9R0.45 CCCCSSCCCC LQ1258 [0,1,0,0,0,0|2,0,0]=3 112 B9R0.45 CCCC\C=C\CCCC JZ3144 [0,1,0,0,0,0|1,0,1]=3 113 B9R0.45 CCOCCCCOCC XJ3853 [0,1,0,0,0,0|2,0,0]=3 114 B9R0.45 CC\C=C/CCCCCO LQ4878 [0,1,0,0,0,0|0,0,1]=2 115 B9R0.45 COCCCCCCOC JZ3663 [0,1,0,0,0,0|1,0,0]=2 116 B9R0.45 FCCCCCCCCBr LQ1077 [0,1,0,0,0,0|1,0,0]=2 117 B9R0.45 ICCCCCCCCI LQ4434 [0,1,0,0,0,0|1,0,0]=2 118 B9R0.45 N#CCCCCCCC#N LQ1256 [0,1,0,0,0,0|1,0,2]=4 119 B9R0.45 NCCCCCCCCN XJ0715 [0,1,0,0,0,0|1,0,0]=2 120 B9R0.45 NCCCCNCCCN LT7216 [0,1,0,0,0,0|2,0,0]=3 121 B9R0.45 NCCNCCNCCN XJ0442 [0,1,0,0,0,0|3,0,0]=4 122 B9R0.45 NCCOCCOCCN LQ1537 [0,1,0,0,0,0|3,0,0]=4 123 B9R0.45 OCCCCCCCCCl LQ4379 [0,1,0,0,0,0|0,0,0]=1 124 B9R0.45 OCCCCCCCCO LQ1257 [0,1,0,0,0,0|0,0,0]=1 125 B9R0.46 C=CC(O)CCCCCC JZ5474 [0,1,0,0,0,0|1,0,1]=3 126 B9R0.46 CCCCCCC(=O)CC LQ1506 [0,1,0,0,0,0|1,0,1]=3 127 B9R0.46 CCCCCCC(=O)NC LQ4481 [0,1,0,0,0,0|2,0,1]=4 128 B9R0.46 CCCCCCC(C)C=O XJ3439 [0,1,0,0,0,0|0,0,2]=3 129 B9R0.46 CCCCCCC(O)CC XJ1169 [0,1,0,0,0,0|1,0,0]=2 130 B9R0.46 CCCCCOC(=O)CC XJ1170 [0,1,0,0,0,0|2,0,1]=4 131 B9R1.8 BrCCC1CCCCC1 HL0957 [0,0,0,1,0,0|1,0,0]=2 132 B9R1.8 BrCCN1CCOCC1 LX3103 [0,0,0,1,0,0|3,0,0]=4 133 B9R1.8 C=COC1CCCCC1 LT4678 [0,0,0,1,0,0|2,0,1]=4 134 B9R1.8 CCCC1CCCCN1 LT0385 [0,0,0,1,0,0|1,0,0]=2 135 B9R1.8 CSCN1CCCCC1 LT0505 [0,0,0,1,0,0|3,0,0]=4 136 B9R1.8 ClCCN1CCCCC1 LQ1947 [0,0,0,1,0,0|2,0,0]=3 137 B9R1.8 ClCCN1CCCCC1 LT6058 [0,0,0,1,0,0|2,0,0]=3 138 B9R1.8 ClCCN1CCOCC1 JZ2290 [0,0,0,1,0,0|3,0,0]=4 139 B9R1.8 ClCCN1CCOCC1 XJ2523 [0,0,0,1,0,0|3,0,0]=4 140 B9R1.8 N#CCC1CCCCC1 LX3031 [0,0,0,1,0,0|1,0,1]=3 141 B9R1.8 N#CCN1CCCCC1 LT0501 [0,0,0,1,0,0|2,0,1]=4 142 B9R1.8 NCCC1=CCCCC1 HL2542 [0,0,0,1,0,0|1,0,2]=4 143 B9R1.8 NCCC1CCOCC1 YH12238 [0,0,0,1,0,0|2,0,0]=3 144 B9R1.8 NCCN1CCNCC1 XJ0549 [0,0,0,1,0,0|3,0,0]=4 145 B9R1.8 NCCN1CCOCC1 XJ2031 [0,0,0,1,0,0|3,0,0]=4 146 B9R1.8 OCCC1CCCCC1 XJ2696 [0,0,0,1,0,0|0,0,0]=1 147 B9R1.8 OCCC1CCCCN1 HL0894 [0,0,0,1,0,0|1,0,0]=2 148 B9R1.8 OCCC1CCCNC1 HL4509 [0,0,0,1,0,0|1,0,0]=2 149 B9R1.8 OCCC1CCNCC1 JZ3997 [0,0,0,1,0,0|1,0,0]=2 150 B9R1.8 OCCC1CCOCC1 YH02520 [0,0,0,1,0,0|1,0,0]=2 151 B9R1.8 OCCC1CNCCN1 YH55395 [0,0,0,1,0,0|2,0,0]=3 152 B9R1.8 OCCN1CCCCC1 HL2424 [0,0,0,1,0,0|1,0,0]=2 153 B9R1.8 OCCN1CCNCC1 RT15528 [0,0,0,1,0,0|2,0,0]=3 154 B9R1.8 OCCN1CCOCC1 LT6885 [0,0,0,1,0,0|2,0,0]=3 155 B9R1.8 OCCN1CSCSC1 RT0037 [0,0,0,1,0,0|3,0,0]=4 156 B9R1.8 OCC[C@@H]1CCCCN1 YH18874 [0,0,0,1,0,0|1,0,0]=2 157 B9R1.8 OCC[C@H]1CCCCN1 RT3869 [0,0,0,1,0,0|1,0,0]=2 158 B9R1.12 BrCCCN1CCCC1 YH25403 [0,0,0,1,0,0|2,0,0]=3 159 B9R1.12 BrCCCN1CCCC1 YH93306 [0,0,0,1,0,0|2,0,0]=3 160 B9R1.12 CCCCN1CCCC1 HL0386 [0,0,0,1,0,0|2,0,0]=3 161 B9R1.12 ClCCCC1OCCO1 LT0212 [0,0,0,1,0,0|2,0,0]=3 162 B9R1.12 ClCCCN1CCCC1 LX2632 [0,0,0,1,0,0|2,0,0]=3 163 B9R1.12 ClCCCN1CCCC1 XJ5409 [0,0,0,1,0,0|2,0,0]=3 164 B9R1.12 OCCCC1CCCO1 RT15043 [0,0,0,1,0,0|1,0,0]=2 165 B9R1.12 OCCCN1CCCC1 YH43756 [0,0,0,1,0,0|1,0,0]=2 166 B9R1.14 CCN1CCC[C@H]1CN RT3977 [0,0,0,1,0,0|2,0,0]=3 167 B9R1.15 CCC1CCCCC1=O XJ2656 [0,0,0,1,0,0|0,0,2]=3 168 B9R1.15 CN1CCCCC1CO LT0356 [0,0,0,1,0,0|1,0,0]=2 169 B9R1.33 CN1CCCC1CCCl RT4547 [0,0,0,1,0,0|2,0,0]=3 170 B9R1.33 CN1CCCC1CCN LQ5165 [0,0,0,1,0,0|2,0,0]=3 171 B9R1.50 BrC1CCCCCCC1 JZ4634 [0,0,0,1,0,0|1,0,0]=2 172 B9R1.50 O=C1CCCCCCC1 XJ0860 [0,0,0,1,0,0|0,0,2]=3 173 B9R1.50 O=C1CCCCCCN1 YH13198 [0,0,0,1,0,0|1,0,2]=4 174 B9R1.50 OC1CCCCCCC1 LQ1369 [0,0,0,1,0,0|0,0,0]=1 175 B9R1.83 C=CCCCCC1CO1 XJ4548 [0,0,0,1,0,0|0,0,2]=3 176 B9R1.83 CCCCCCC1CO1 XJ2325 [0,0,0,1,0,0|0,0,0]=1 177 B9R1.83 CCCCOCC1CO1 XJ2135 [0,0,0,1,0,0|1,0,0]=2 178 B9R1.89 COC1=NCCCCC1 YH49605 [0,0,0,1,0,0|2,0,1]=4 179 B9R1.89 N#CC1CCCCCC1 XJ5102 [0,0,0,1,0,0|1,0,1]=3 180 B9R1.89 NCC1CCCCCC1 RT4713 [0,0,0,1,0,0|1,0,0]=2 181 B9R1.89 O=CN1CCCCCC1 JZ5623 [0,0,0,1,0,0|1,0,2]=4 182 B9R1.103 C1CNCCNCCN1 JZ2559 [0,0,0,1,0,0|3,0,0]=4 183 B9R1.103 C1CNCCNCCN1 YH08737 [0,0,0,1,0,0|3,0,0]=4 184 B6R0.6 C#CCCCCC HL0285 [2,0,0,0,0,0|0,0,2]=4 185 B6R0.6 C#CCCCCO LQ1526 [2,0,0,0,0,0|0,0,2]=4 186 B6R0.6 CCCC#CCO XJ1342 [2,0,0,0,0,0|0,0,2]=4 187 B6R0.6 CCCCCC#N HL0286 [2,0,0,0,0,0|1,0,1]=4 188 B6R0.6 CCCCCCCl HL1956 [2,0,0,0,0,0|1,0,0]=3 189 B6R0.6 CCCCCCI JZ4066 [2,0,0,0,0,0|1,0,0]=3 190 B6R0.6 CCCCCCO XJ0385 [2,0,0,0,0,0|0,0,0]=2 191 B6R0.6 CCCCCCS XJ0387 [2,0,0,0,0,0|0,1,0]=3 192 B6R0.6 CCCCCNC LT5645 [2,0,0,0,0,0|1,0,0]=3 193 B6R0.6 CCCCC[Mg]Cl JZ2964 [2,0,0,0,0,0|2,0,0]=4 194 B6R0.6 CCCCOCC HL0289 [2,0,0,0,0,0|1,0,0]=3 195 B6R0.6 CCCCOCCl LT4489 [2,0,0,0,0,0|2,0,0]=4 196 B6R0.6 CCCCSCC JZ4067 [2,0,0,0,0,0|1,0,0]=3 197 B6R0.6 CCCNCCC RT1163 [2,0,0,0,0,0|1,0,0]=3 198 B6R0.6 CCCSSCC LT5405 [2,0,0,0,0,0|2,0,0]=4 199 B6R0.6 CCC\C=C/CO LQ1528 [2,0,0,0,0,0|0,0,2]=4 200 B6R0.6 CCNCCCN HL4191 [2,0,0,0,0,0|2,0,0]=4 201 B6R0.6 CCOCCCCl XJ5236 [2,0,0,0,0,0|2,0,0]=4 202 B6R0.6 CCOCCOC LQ2802 [2,0,0,0,0,0|2,0,0]=4 203 B6R0.6 CCSCSCC RT19812 [2,0,0,0,0,0|2,0,0]=4 204 B6R0.6 CC\C=C/CCO LT4581 [2,0,0,0,0,0|0,0,2]=4 205 B6R0.6 CC\C=C\CCC HL0123 [2,0,0,0,0,0|0,0,2]=4 206 B6R0.6 CNCCCNC XJ0389 [2,0,0,0,0,0|2,0,0]=4 207 B6R0.6 CSCCCSC LQ4459 [2,0,0,0,0,0|2,0,0]=4 208 B6R0.6 C\C=C\CCCO XJ3000 [2,0,0,0,0,0|0,0,2]=4 209 B6R0.6 ClCCCCCI XJ5888 [2,0,0,0,0,0|2,0,0]=4 210 B6R0.6 ICCCCCI HL0288 [2,0,0,0,0,0|2,0,0]=4 211 B6R0.6 NCCCCCBr RT0436 [2,0,0,0,0,0|2,0,0]=4 212 B6R0.6 NCCCCCN LQ0829 [2,0,0,0,0,0|2,0,0]=4 213 B6R0.6 NCCCCCO HL2296 [2,0,0,0,0,0|1,0,0]=3 214 B6R0.6 NCCNCCO JZ0125 [2,0,0,0,0,0|2,0,0]=4 215 B6R0.6 NCCOCCO LQ1534 [2,0,0,0,0,0|2,0,0]=4 216 B6R0.6 O=CCCCCO YH66094 [2,0,0,0,0,0|1,0,1]=4 217 B6R0.6 OCCCCCCl JZ2653 [2,0,0,0,0,0|1,0,0]=3 218 B6R0.6 OCCNCCO LT7673 [2,0,0,0,0,0|2,0,0]=4 219 B6R0.6 OCCOCCCl JZ0962 [2,0,0,0,0,0|2,0,0]=4 220 B6R0.6 OCCSCCO XJ0395 [2,0,0,0,0,0|2,0,0]=4 221 B8R0.1 C=CCC(O)CCCC LQ5051 [1,1,0,0,0,0|0,0,2]=4 222 B8R0.1 CCCCN(C)CCN XJ4506 [1,1,0,0,0,0|2,0,0]=4 223 B8R0.1 CCCOC(=O)CCC XJ0331 [1,1,0,0,0,0|1,0,1]=4 224 B8R0.6 C#CC(O)CCCCC LQ1462 [1,1,0,0,0,0|0,0,2]=4 225 B8R0.6 C=CC(O)CCCCC HL2529 [1,1,0,0,0,0|0,0,2]=4 226 B8R0.6 CCC#CCC(O)CC LQ5289 [1,1,0,0,0,0|0,0,2]=4 227 B8R0.6 CCCCCC(=O)CC HL1322 [1,1,0,0,0,0|0,0,1]=3 228 B8R0.6 CCCCCC(=O)OC HL1324 [1,1,0,0,0,0|1,0,1]=4 229 B8R0.6 CCCCCC(O)CC HL0071 [1,1,0,0,0,0|0,0,0]=2 230 B8R0.6 CCCCOC(=O)CO LT4349 [1,1,0,0,0,0|1,0,1]=4 231 B8R0.6 COC(=O)CCCCO RT18638 [1,1,0,0,0,0|1,0,1]=4 232 B8R0.6 OCCCCC(O)CO HL1323 [1,1,0,0,0,0|1,0,0]=3 233 B8R0.7 CC(C)CCCCC=O RT0529 [1,1,0,0,0,0|0,0,2]=4 234 B8R0.7 CC(C)CCCCCO RT1226 [1,1,0,0,0,0|0,0,0]=2 235 B8R0.7 CCCCCCC(=O)O XJ0376 [1,1,0,0,0,0|0,0,1]=3 236 B8R0.7 CCCCCCC(C)Br LQ1034 [1,1,0,0,0,0|0,0,0]=2 237 B8R0.7 CCCCCCC(C)N LQ1330 [1,1,0,0,0,0|0,0,0]=2 238 B8R0.7 CCCCCCC(C)O XJ2646 [1,1,0,0,0,0|0,0,0]=2 239 B8R0.7 CCCCCCC(C)O XJ2647 [1,1,0,0,0,0|0,0,0]=2 240 B8R0.7 CCCCCCC(C)S XJ2345 [1,1,0,0,0,0|0,0,0]=2 241 B8R0.7 CCCCCCN(C)C JZ2511 [1,1,0,0,0,0|1,0,0]=3 242 B8R0.7 CCCCCC[C@H](C)O XJ6892 [1,1,0,0,0,0|0,0,0]=2 243 B8R0.7 CCCCCC[N+](=O)[O-] RT0284 [1,1,0,0,0,0|1,0,1]=4 244 B8R0.7 CCCCCOC(C)=O HL0284 [1,1,0,0,0,0|1,0,1]=4 245 B8R0.7 CCCCOCC(=O)O HL2310 [1,1,0,0,0,0|1,0,1]=4 246 B8R0.7 CCCCOCC(C)O JZ5031 [1,1,0,0,0,0|1,0,0]=3 247 B8R0.7 CC\C=C\CCC(C)O RT1178 [1,1,0,0,0,0|0,0,2]=4 248 B8R0.7 CN(C)CCOCCO LQ1936 [1,1,0,0,0,0|2,0,0]=4 249 B8R0.7 NCCCCCC(=O)O JZ1196 [1,1,0,0,0,0|1,0,1]=4 250 B8R0.7 NCCCCCC(=O)O RT0574 [1,1,0,0,0,0|1,0,1]=4 251 B8R0.7 O=C(O)CCCCCBr HL2738 [1,1,0,0,0,0|1,0,1]=4 252 B8R0.7 O=C(O)CCCCCCl LT3590 [1,1,0,0,0,0|1,0,1]=4 253 B8R0.7 O=C(O)CCCCCO JZ4450 [1,1,0,0,0,0|1,0,1]=4 254 B10R0.3 CC(C)=CCCC(C)CCO RT0095 [0,2,0,0,0,0|0,0,2]=4 255 B10R0.3 CC(C)=CCCC(C)CCO XJ0350 [0,2,0,0,0,0|0,0,2]=4 256 B10R0.3 CC(C)CCCC(C)CCBr RT0647 [0,2,0,0,0,0|1,0,0]=3 257 B10R0.3 CC(C)CCCC(C)CCO XJ0349 [0,2,0,0,0,0|0,0,0]=2 258 B10R0.3 C\C(=C/CO)CCCC(C)C RT0559 [0,2,0,0,0,0|0,0,2]=4 259 B10R0.4 CC(C)CCCCCCC=O RT1236 [0,2,0,0,0,0|0,0,1]=3 260 B10R0.4 CC(C)CCCCCCCO JZ5690 [0,2,0,0,0,0|0,0,0]=2 261 B10R0.4 CC(C)CCCCCCCO RT1256 [0,2,0,0,0,0|0,0,0]=2 262 B10R0.4 CCCCCCCCC(=O)Cl XJ1343 [0,2,0,0,0,0|0,0,1]=3 263 B10R0.4 CCCCCCCCC(C)O XJ1596 [0,2,0,0,0,0|0,0,0]=2 264 B10R0.4 CCCCCCCCN(C)C JZ3098 [0,2,0,0,0,0|1,0,0]=3 265 B10R0.4 CCCCCCCOC(=O)Cl LQ4802 [0,2,0,0,0,0|0,0,2]=4 266 B10R0.4 CCCCCCCOC(C)=O XJ0432 [0,2,0,0,0,0|0,0,2]=4 267 B10R0.4 CN(C)CCCNCCCN JZ3455 [0,2,0,0,0,0|2,0,0]=4 268 B10R0.4 NCCCCCCCC(=O)O HL0564 [0,2,0,0,0,0|0,0,1]=3 269 B10R0.4 NCCCCCCNC(=O)O HL1567 [0,2,0,0,0,0|1,0,1]=4 270 B10R0.4 O=C(O)CCCCCCCBr LQ4065 [0,2,0,0,0,0|0,0,1]=3 271 B10R0.4 O=C(O)CCCCCCCO YH17816 [0,2,0,0,0,0|0,0,1]=3 272 B10R0.6 CCCCCC(O)CC(=O)O XJ4061 [0,2,0,0,0,0|0,0,1]=3 273 B10R0.22 C[N+](C)(C)CCCCCCBr RT0407 [0,2,0,0,0,0|2,0,0]=4 274 B10R0.22 C[N+](C)(C)CCCCCCN RT0783 [0,2,0,0,0,0|2,0,0]=4 275 B10R0.74 CCCCCCCC(=N)OC RT1143 [0,2,0,0,0,0|0,0,1]=3 276 B10R0.74 CCCCCCCC(=O)CC LQ1524 [0,2,0,0,0,0|1,0,0]=3 277 B10R0.74 CCCCCCCC(=O)OC XJ0374 [0,2,0,0,0,0|0,0,1]=3 278 B10R0.74 CCCCCCCC(C)CO LQ5052 [0,2,0,0,0,0|0,0,0]=2 279 B10R0.74 CCCCCCCC(O)CC JZ4657 [0,2,0,0,0,0|0,0,0]=2 280 B10R0.74 CCCCCCOC(=O)CC XJ2189 [0,2,0,0,0,0|1,0,1]=4 281 B10R0.74 CCOCCCOC(O)CC LT5010 [0,2,0,0,0,0|2,0,0]=4 282 B10R0.74 COC(=O)CCCCCCN RT1454 [0,2,0,0,0,0|1,0,1]=4 283 B10R0.75 CCCCCCC(O)C(=O)O LQ1207 [0,2,0,0,0,0|0,0,1]=3 284 B10R0.75 CCCCCC[C@@H](N)[C@@H](C)O RT1718 [0,2,0,0,0,0|0,0,0]=2 285 B10R0.75 CCCCCC[C@H](N)[C@@H](C)O RT1722 [0,2,0,0,0,0|0,0,0]=2 286 B10R0.97 CC(C)CCCCCC(=O)O JZ5722 [0,2,0,0,0,0|0,0,1]=3 287 B10R0.97 CC(C)CCNCCC(C)C HL1953 [0,2,0,0,0,0|2,0,0]=4 288 B10R0.97 CC(C)CCOCCC(C)C HL1954 [0,2,0,0,0,0|2,0,0]=4 289 B10R0.97 CC(C)CCSCCC(C)C HL1955 [0,2,0,0,0,0|2,0,0]=4 290 B10R0.1 CCCCCOC(=O)CCC XJ0918 [0,2,0,0,0,0|1,0,1]=4 291 B10R0.1 CCOC(=O)CCCCCN XJ0704 [0,2,0,0,0,0|1,0,1]=4 292 B10R0.24 CCCCCC(C=O)CCC RT0097 [0,2,0,0,0,0|1,0,0]=3 293 B10R0.83 CCC\C=C\[C@@H](O)[C@@H](N)CO RT18610 [0,2,0,0,0,0|0,0,2]=4 294 B10R0.91 CCCCCC(=O)CCCC LQ1465 [0,2,0,0,0,0|1,0,0]=3 295 B10R0.91 CCCCOC(=O)CCCC HL0105 [0,2,0,0,0,0|1,0,1]=4 296 B10R0.16 CCCCN(C=O)CCCC XJ1327 [0,2,0,0,0,0|2,0,0]=4 297 B10R0.16 CCCCN(CCCC)N=O RT17997 [0,2,0,0,0,0|2,0,0]=4 298 B10R0.16 CCCCN(CCCC)SCl RT1358 [0,2,0,0,0,0|2,0,0]=4 299 B10R0.116 CCCCS(=O)(=O)CCCC LQ1131 [0,2,0,0,0,0|2,0,0]=4 300 B10R0.71 CCC#CCCCCCCC XJ5881 [0,2,0,0,0,0|1,0,0]=3 301 B10R0.71 CCC#CCCCCCCCl XJ4418 [0,2,0,0,0,0|1,0,0]=3 302 B10R0.71 CCCCCCC#CCCO LQ5236 [0,2,0,0,0,0|0,0,0]=2 303 B10R0.71 CCCCCCCC#CCO XJ2636 [0,2,0,0,0,0|0,0,0]=2 304 B10R0.71 CCCCCCCCCC=O XJ0447 [0,2,0,0,0,0|0,0,1]=3 305 B10R0.71 CCCCCCCCCCC XJ1598 [0,2,0,0,0,0|1,0,0]=3 306 B10R0.71 CCCCCCCCCCCl HL0566 [0,2,0,0,0,0|1,0,0]=3 307 B10R0.71 CCCCCCCCCCI HL2088 [0,2,0,0,0,0|1,0,0]=3 308 B10R0.71 CCCCCCCCCCN XJ1998 [0,2,0,0,0,0|1,0,0]=3 309 B10R0.71 CCCCCCCCN=C=O LQ2430 [0,2,0,0,0,0|0,0,1]=3 310 B10R0.71 CCCCCCCCSC#N LQ4161 [0,2,0,0,0,0|0,1,0]=3 311 B10R0.71 CCCCCSCCCCC XJ1414 [0,2,0,0,0,0|1,0,0]=3 312 B10R0.71 CCCCC\C=C/CCC=O LQ4270 [0,2,0,0,0,0|0,0,2]=4 313 B10R0.71 CCCCC\C=C/CCCO XJ5773 [0,2,0,0,0,0|0,0,0]=2 314 B10R0.71 COCCCCCCCCO RT0565 [0,2,0,0,0,0|0,0,0]=2 315 B10R0.71 COCCOCOCCOC XJ2680 [0,2,0,0,0,0|2,0,0]=4 316 B10R0.71 ClCCCCCCCCCCl LQ1473 [0,2,0,0,0,0|1,0,0]=3 317 B10R0.71 ClCCCCOCCCCCl LQ3094 [0,2,0,0,0,0|1,0,0]=3 318 B10R0.71 NCCCCCCCCCN XJ1219 [0,2,0,0,0,0|1,0,0]=3 319 B10R0.71 NCCCCNCCCCN RT0708 [0,2,0,0,0,0|1,0,0]=3 320 B10R0.71 OCCCCCCCCCBr LT6213 [0,2,0,0,0,0|0,0,0]=2 321 B10R0.71 SCCCCCCCCCS LQ2504 [0,2,0,0,0,0|0,1,0]=3 322 B10R0.41 CCCCCCC(OC)OC LQ3381 [0,2,0,0,0,0|2,0,0]=4 323 B10R0.41 CCN(CC)CCOCCO XJ0561 [0,2,0,0,0,0|2,0,0]=4 324 B10R0.59 OCC(O)COCC(O)CO HL0264 [0,2,0,0,0,0|2,0,0]=4 325 B8R1.2 BrCC1COCCO1 RT8614 [1,0,0,1,0,0|2,0,0]=4 326 B8R1.2 CCC1CCCCC1 LQ1884 [1,0,0,1,0,0|0,0,0]=2 327 B8R1.2 CCC1CCCCN1 HL0893 [1,0,0,1,0,0|1,0,0]=3 328 B8R1.2 CCN1CCCCC1 JZ0120 [1,0,0,1,0,0|1,0,0]=3 329 B8R1.2 CCN1CCNCC1 JZ0119 [1,0,0,1,0,0|2,0,0]=4 330 B8R1.2 CC[C@H]1CNCCN1 YH45335 [1,0,0,1,0,0|2,0,0]=4 331 B8R1.2 CNC1CCCNC1 LT0416 [1,0,0,1,0,0|2,0,0]=4 332 B8R1.2 CNC1CCNCC1 YH02204 [1,0,0,1,0,0|2,0,0]=4 333 B8R1.2 CNC1CCOCC1 YH47081 [1,0,0,1,0,0|2,0,0]=4 334 B8R1.2 Cl[Mg]C1CCCCC1 LQ1557 [1,0,0,1,0,0|2,0,0]=4 335 B8R1.2 N#CC1CCCCC1 XJ1358 [1,0,0,1,0,0|1,0,1]=4 336 B8R1.2 NCC1CCCCO1 YH12666 [1,0,0,1,0,0|1,0,0]=3 337 B8R1.2 NCC1CCCNC1 LQ4363 [1,0,0,1,0,0|2,0,0]=4 338 B8R1.2 NCC1CCNCC1 LT0451 [1,0,0,1,0,0|2,0,0]=4 339 B8R1.2 NCC1CCOCC1 HL3392 [1,0,0,1,0,0|2,0,0]=4 340 B8R1.2 NNC1CCCCC1 LX2848 [1,0,0,1,0,0|2,0,0]=4 341 B8R1.2 NNC1CCCCC1 YH12039 [1,0,0,1,0,0|2,0,0]=4 342 B8R1.2 O=CC1CCCCC1 JZ0373 [1,0,0,1,0,0|0,0,2]=4 343 B8R1.2 O=CC1CCCCC1 LT7159 [1,0,0,1,0,0|0,0,2]=4 344 B8R1.2 OCC1CCCCC1 HL1270 [1,0,0,1,0,0|0,0,0]=2 345 B8R1.2 OCC1CCCCN1 LT1609 [1,0,0,1,0,0|1,0,0]=3 346 B8R1.2 OCC1CCCNC1 LT0402 [1,0,0,1,0,0|1,0,0]=3 347 B8R1.2 OCC1CCNCC1 LT0484 [1,0,0,1,0,0|1,0,0]=3 348 B8R1.2 OCC1CCOCC1 JZ4923 [1,0,0,1,0,0|1,0,0]=3 349 B8R1.2 OCC1CNCCN1 YH52067 [1,0,0,1,0,0|2,0,0]=4 350 B8R1.2 OCC1CNCCO1 HL3143 [1,0,0,1,0,0|2,0,0]=4 351 B8R1.2 OCC1COCCN1 YH23562 [1,0,0,1,0,0|2,0,0]=4 352 B8R1.2 OCC1COCCO1 RT8627 [1,0,0,1,0,0|2,0,0]=4 353 B8R1.2 OC[C@@H]1CNCCN1 YH35885 [1,0,0,1,0,0|2,0,0]=4 354 B8R1.2 OC[C@@H]1CNCCO1 YH31815 [1,0,0,1,0,0|2,0,0]=4 355 B8R1.2 OC[C@H]1COCCN1 YH45867 [1,0,0,1,0,0|2,0,0]=4 356 B8R1.2 ONC1CCCCC1 JZ5616 [1,0,0,1,0,0|1,0,0]=3 357 B8R1.5 CC1CCCCC1=O XJ1009 [1,0,0,1,0,0|0,0,2]=4 358 B8R1.5 CC1CCCCC1C XJ1006 [1,0,0,1,0,0|0,0,0]=2 359 B8R1.5 CC1CCCCC1O XJ1008 [1,0,0,1,0,0|0,0,0]=2 360 B8R1.5 C[C@@H]1CCCC[C@H]1N YH96335 [1,0,0,1,0,0|1,0,0]=3 361 B8R1.5 NC1CCCCC1N LQ1351 [1,0,0,1,0,0|2,0,0]=4 362 B8R1.5 NC1CCCCC1O JZ2993 [1,0,0,1,0,0|1,0,0]=3 363 B8R1.5 NC1CCCC[C@H]1N RT4156 [1,0,0,1,0,0|2,0,0]=4 364 B8R1.5 NC1COCCC1O YH55045 [1,0,0,1,0,0|2,0,0]=4 365 B8R1.5 N[C@@H]1CCCC[C@H]1N HL4195 [1,0,0,1,0,0|2,0,0]=4 366 B8R1.5 N[C@@H]1CCCC[C@H]1N RT4814 [1,0,0,1,0,0|2,0,0]=4 367 B8R1.5 N[C@@H]1CCCC[C@H]1N XJ1617 [1,0,0,1,0,0|2,0,0]=4 368 B8R1.5 N[C@@H]1CCCC[C@H]1O LQ2896 [1,0,0,1,0,0|1,0,0]=3 369 B8R1.5 N[C@@H]1COCC[C@H]1O RT15009 [1,0,0,1,0,0|2,0,0]=4 370 B8R1.5 N[C@H]1CCCC[C@@H]1N YH46273 [1,0,0,1,0,0|2,0,0]=4 371 B8R1.5 N[C@H]1CCCC[C@H]1N XJ1753 [1,0,0,1,0,0|2,0,0]=4 372 B8R1.5 N[C@H]1COCC[C@@H]1O RT15007 [1,0,0,1,0,0|2,0,0]=4 373 B8R1.5 OC1CCCCC1O LQ1555 [1,0,0,1,0,0|1,0,0]=3 374 B8R1.5 O[C@@H]1CCCC[C@@H]1Cl LT2047 [1,0,0,1,0,0|1,0,0]=3 375 B8R1.5 O[C@@H]1CCCC[C@H]1F XJ1265 [1,0,0,1,0,0|1,0,0]=3 376 B8R1.5 O[C@H]1CCCC[C@H]1O XJ1939 [1,0,0,1,0,0|1,0,0]=3 377 B8R1.5 [NH-][C@@H]1CCCC[C@H]1[NH-] RT4589 [1,0,0,1,0,0|2,0,0]=4 378 B8R1.8 BrCCC1OCCO1 LQ4089 [1,0,0,1,0,0|2,0,0]=4 379 B8R1.8 BrCCN1CCCC1 LX2478 [1,0,0,1,0,0|2,0,0]=4 380 B8R1.8 BrCCN1CCCC1 YH06128 [1,0,0,1,0,0|2,0,0]=4 381 B8R1.8 C#CCC1CCCC1 HL3291 [1,0,0,1,0,0|0,0,2]=4 382 B8R1.8 CCOC1CCCO1 XJ3908 [1,0,0,1,0,0|1,0,0]=3 383 B8R1.8 ClCCN1CCCC1 HL2871 [1,0,0,1,0,0|2,0,0]=4 384 B8R1.8 ClCCN1CCCC1 LQ3213 [1,0,0,1,0,0|2,0,0]=4 385 B8R1.8 N#CCC1CCCC1 LQ1738 [1,0,0,1,0,0|1,0,1]=4 386 B8R1.8 NCCC1OCCO1 XJ2993 [1,0,0,1,0,0|2,0,0]=4 387 B8R1.8 O=CCC1CCCC1 RT17688 [1,0,0,1,0,0|0,0,2]=4 388 B8R1.8 O=CCC1CCCO1 RT17487 [1,0,0,1,0,0|1,0,1]=4 389 B8R1.8 OCCC1CCNC1 YH96359 [1,0,0,1,0,0|1,0,0]=3 390 B8R1.8 OCCN1CCCC1 JZ2200 [1,0,0,1,0,0|1,0,0]=3 391 B8R1.11 CCC1CCCC1=O XJ2821 [1,0,0,1,0,0|0,0,2]=4 392 B8R1.11 C[C@H]1CNC[C@@H]1CO YH97380 [1,0,0,1,0,0|1,0,0]=3 393 B8R1.22 CC1CCCCCN1 RT15388 [1,0,0,1,0,0|1,0,0]=3 394 B8R1.22 CC1CCCNCC1 RT15402 [1,0,0,1,0,0|1,0,0]=3 395 B8R1.22 CN1CCCNCC1 LQ2672 [1,0,0,1,0,0|2,0,0]=4 396 B8R1.22 NC1CCCCCC1 LQ2890 [1,0,0,1,0,0|1,0,0]=3 397 B8R1.22 NC1CCCCNC1 YH66537 [1,0,0,1,0,0|2,0,0]=4 398 B8R1.22 NN1CCCCCC1 LT0330 [1,0,0,1,0,0|2,0,0]=4 399 B8R1.22 O=C1CCCCCC1 LT4672 [1,0,0,1,0,0|0,0,2]=4 400 B8R1.22 OC1CCCCCC1 XJ0857 [1,0,0,1,0,0|0,0,0]=2 401 B8R1.36 CCCNCC1CC1 LQ4507 [1,0,0,1,0,0|1,0,0]=3 402 B8R1.49 C1=CCCCCCC1 LQ1558 [1,0,0,1,0,0|0,0,2]=4 403 B8R1.49 C1CCCCCCC1 LL0633 [1,0,0,1,0,0|0,0,0]=2 404 B8R1.49 C1CNCCCNC1 YH07623 [1,0,0,1,0,0|2,0,0]=4 405 B10R1.10 CCCC1CCCC(=O)O1 LQ1386 [0,1,0,1,0,0|0,0,1]=3 406 B10R1.18 CC(=O)CC1CCCCC1 LL0342 [0,1,0,1,0,0|0,0,2]=4 407 B10R1.18 CC(C)CC1CNCCN1 YH90239 [0,1,0,1,0,0|2,0,0]=4 408 B10R1.18 CC(O)CN1CCCCC1 LT0492 [0,1,0,1,0,0|1,0,0]=3 409 B10R1.18 CC(O)CN1CCOCC1 LQ2053 [0,1,0,1,0,0|2,0,0]=4 410 B10R1.18 CN(C)CC1CCCCC1 XJ0262 [0,1,0,1,0,0|2,0,0]=4 411 B10R1.18 O=C(O)CC1CCCCC1 JZ2678 [0,1,0,1,0,0|0,0,1]=3 412 B10R1.18 O=C(O)CC1CCCCN1 YH43926 [0,1,0,1,0,0|1,0,1]=4 413 B10R1.18 O=C(O)CC1CCCNC1 LL1374 [0,1,0,1,0,0|1,0,1]=4 414 B10R1.18 O=C(O)CC1CCC[NH2+]C1 YH15549 [0,1,0,1,0,0|1,0,1]=4 415 B10R1.18 O=C(O)CC1CCOCC1 YH89653 [0,1,0,1,0,0|1,0,1]=4 416 B10R1.18 O=C(O)CC1CC[NH2+]CC1 HL4495 [0,1,0,1,0,0|1,0,1]=4 417 B10R1.61 CC1CCCCC1C(=O)O LT5851 [0,1,0,1,0,0|0,0,1]=3 418 B10R1.61 CN1CCCCC1C(=O)O RT5494 [0,1,0,1,0,0|1,0,1]=4 419 B10R1.61 C[C@H]1CCCN[C@H]1C(=O)O YH29336 [0,1,0,1,0,0|1,0,1]=4 420 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O LQ4559 [0,1,0,1,0,0|1,0,1]=4 421 B10R1.66 CC(=O)OCC1CCCO1 JZ1035 [0,1,0,1,0,0|1,0,1]=4 422 B10R1.66 O=C(O)CCC1CCCC1 RT12350 [0,1,0,1,0,0|0,0,1]=3 423 B10R1.78 O=C1CCCCCCCN1 JZ4295 [0,1,0,1,0,0|0,0,2]=4 424 B10R1.348 O=C(O)C1CCCCCC1 HL0836 [0,1,0,1,0,0|0,0,1]=3 425 B10R1.348 O=C(O)C1CCCCCN1 YH05142 [0,1,0,1,0,0|1,0,1]=4 426 B10R1.21 BrCCCCC1OCCO1 YH91320 [0,1,0,1,0,0|1,0,0]=3 427 B10R1.21 COCCO[C@H]1CCNC1 YH66625 [0,1,0,1,0,0|2,0,0]=4 428 B10R1.29 O=C1CCCN1CCCO LL1008 [0,1,0,1,0,0|1,0,1]=4 429 B10R1.85 ClCCN1CCCCCC1 JZ1940 [0,1,0,1,0,0|1,0,0]=3 430 B10R1.85 ClCCN1CCCCCC1 LQ4524 [0,1,0,1,0,0|1,0,0]=3 431 B10R1.85 NCCN1CCCCCC1 YH66494 [0,1,0,1,0,0|1,0,0]=3 432 B10R1.135 CCOC(=O)C1CC1CO YH36342 [0,1,0,1,0,0|1,0,1]=4 433 B10R1.138 [C@H]1(COC(=O)CCC)CO1 XJ5901 [0,1,0,1,0,0|1,0,1]=4 434 B10R1.377 C=CCC1(O)CCCCC1 HL0666 [0,1,0,1,0,0|1,0,1]=4 435 B10R1.377 CC1(CCN)OCCCO1 RT4117 [0,1,0,1,0,0|2,0,0]=4 436 B10R1.377 CCCC1(O)CCCCC1 LQ2873 [0,1,0,1,0,0|1,0,0]=3 437 B10R1.4 CN1CCCCC1CCCl LQ5449 [0,1,0,1,0,0|1,0,0]=3 438 B10R1.4 CN1CCCCC1CCO LT0504 [0,1,0,1,0,0|0,0,0]=2 439 B10R1.17 BrCCOC1CCCCO1 LX2223 [0,1,0,1,0,0|1,0,0]=3 440 B10R1.17 C1CCCCN1CCCC LT6043 [0,1,0,1,0,0|1,0,0]=3 441 B10R1.17 CCCCC1CCCCC1 LQ1886 [0,1,0,1,0,0|1,0,0]=3 442 B10R1.17 CCCCN1CCOCC1 HL0591 [0,1,0,1,0,0|2,0,0]=4 443 B10R1.17 COCCN1CCOCC1 XJ3577 [0,1,0,1,0,0|2,0,0]=4 444 B10R1.17 ClCCCN1CCCCC1 LQ2937 [0,1,0,1,0,0|1,0,0]=3 445 B10R1.17 ClCCCN1CCOCC1 RT14641 [0,1,0,1,0,0|2,0,0]=4 446 B10R1.17 ClCCCN1CCOCC1 YH08042 [0,1,0,1,0,0|2,0,0]=4 447 B10R1.17 N#CCCC1CCCCC1 YH34124 [0,1,0,1,0,0|1,0,0]=3 448 B10R1.17 O=CCCC1CCCCC1 RT17549 [0,1,0,1,0,0|0,0,1]=3 449 B10R1.17 OCCCN1CCCCC1 LL0377 [0,1,0,1,0,0|0,0,0]=2 450 B10R1.17 OCCCN1CCNCC1 JZ2703 [0,1,0,1,0,0|1,0,0]=3 451 B10R1.17 OCCCN1CCOCC1 XJ2693 [0,1,0,1,0,0|1,0,0]=3 452 B10R1.20 CN[C@@H]1CCCC[C@H]1NC LL1140 [0,1,0,1,0,0|2,0,0]=4 453 B10R1.20 CN[C@@H]1CCCC[C@H]1NC YH65566 [0,1,0,1,0,0|2,0,0]=4 454 B10R1.20 CN[C@H]1CCCC[C@@H]1NC XJ6524 [0,1,0,1,0,0|2,0,0]=4 455 B10R1.20 ClC[C@@H]1CCCC[C@H]1CCl RT11040 [0,1,0,1,0,0|1,0,0]=3 456 B10R1.20 NC[C@@H]1CCCC[C@H]1CN LL1285 [0,1,0,1,0,0|1,0,0]=3 457 B10R1.20 NC[C@H]1CCCC[C@H]1CN LL1284 [0,1,0,1,0,0|1,0,0]=3 458 B10R1.20 OC[C@H]1CCCC[C@@H]1CO YH49978 [0,1,0,1,0,0|0,0,0]=2 459 B10R1.161 O=CC1CCCCCCC1 YH12934 [0,1,0,1,0,0|0,0,1]=3 460 B10R1.161 ON=C1CCCCCCC1 JZ4368 [0,1,0,1,0,0|0,0,1]=3 461 B10R1.1 CCCC1CCC(=O)CC1 LQ5064 [0,1,0,1,0,0|1,0,1]=4 462 B10R1.1 CN1CCC(CCN)CC1 YH65740 [0,1,0,1,0,0|2,0,0]=4 463 B10R1.1 CN1CCN(CCO)CC1 LQ2905 [0,1,0,1,0,0|2,0,0]=4 464 B10R1.2 OC[C@@H]1CNC[C@@H](O)[C@@H]1O RT16048 [0,1,0,1,0,0|2,0,0]=4 465 B10R1.2 OC[C@H]1CNC[C@@H](O)[C@@H]1O RT16046 [0,1,0,1,0,0|2,0,0]=4 466 B10R1.15 CCC(=O)C1CCCCC1 HL0671 [0,1,0,1,0,0|1,0,1]=4 467 B10R1.172 NCC1CCCC(CN)C1 YH50023 [0,1,0,1,0,0|2,0,0]=4 468 B10R1.172 OCC1COCC(CO)O1 RT14151 [0,1,0,1,0,0|2,0,0]=4 469 B10R2.178 O=C1CCC2CCC1C2 HL2848 [0,0,0,2,0,0|0,0,2]=4 470 B10R2.7 C1CCC2CNCC2C1 YH14374 [0,0,0,2,0,0|1,0,0]=3 471 B10R2.7 C1CN[C@H]2CNC[C@H]2C1 YH35473 [0,0,0,2,0,0|2,0,0]=4 472 B10R2.7 [C@H]12CCCC[C@H]1CNC2 HL0863 [0,0,0,2,0,0|1,0,0]=3 473 B10R2.7 [C@H]12CCCC[C@H]1CNC2 LQ4311 [0,0,0,2,0,0|1,0,0]=3 474 B10R2.7 [C@H]12CCCN1CCNC2 YH65022 [0,0,0,2,0,0|2,0,0]=4 475 B10R2.7 [C@H]12CCCN[C@H]1CNC2 LX3224 [0,0,0,2,0,0|2,0,0]=4 476 B10R2.62 N[C@@H]1CN2CCC1CC2 XJ6933 [0,0,0,2,0,0|2,0,0]=4 477 B10R2.62 N[C@H]1CN2CCC1CC2 HL3365 [0,0,0,2,0,0|2,0,0]=4 478 B10R2.62 OC1CN2CCC1CC2 LT6036 [0,0,0,2,0,0|1,0,0]=3 479 B10R2.62 O[C@@H]1CN2CCC1CC2 XJ5148 [0,0,0,2,0,0|1,0,0]=3 480 B10R2.62 O[C@H]1CN2CCC1CC2 JZ5689 [0,0,0,2,0,0|1,0,0]=3 481 B10R2.62 [C@H]1(O)CN2CCC1CC2 LT5920 [0,0,0,2,0,0|1,0,0]=3 482 B10R2.408 B1C2CCCC1CCC2 LL0616 [0,0,0,2,0,0|1,0,0]=3 483 B10R2.409 C1CN2CCC(CC2)N1 YH17270 [0,0,0,2,0,0|2,0,0]=4 484 B10R2.483 C1COC2(CCSC2)O1 RT15704 [0,0,0,2,0,0|2,0,0]=4 485 B10R2.97 [C@H]12C[C@@H](CO)[C@@H](O)[C@H]1O2 RT18869 [0,0,0,2,0,0|2,0,0]=4