0 B7R0.1 C#CCCCCC#C XJ1412 [0,0,0,0,0,0|1,0,3]=4 1 B7R0.1 C#CCCCCCC LQ1243 [0,0,0,0,0,0|1,0,1]=2 2 B7R0.1 C#CCCCCCO RT14015 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.1 C=CCCCCC#N HL2868 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.1 C=CCSSCCC LT3401 [0,0,0,0,0,0|3,0,0]=3 5 B7R0.1 CCCC#CCCC JZ1797 [0,0,0,0,0,0|1,0,3]=4 6 B7R0.1 CCCCC#CCO HL0563 [0,0,0,0,0,0|0,0,4]=4 7 B7R0.1 CCCCCCC#N LQ1245 [0,0,0,0,0,0|1,0,1]=2 8 B7R0.1 CCCCCCCC XJ0405 [0,0,0,0,0,0|1,0,1]=2 9 B7R0.1 CCCCCCCCl LQ1244 [0,0,0,0,0,0|1,0,1]=2 10 B7R0.1 CCCCCCCN XJ0408 [0,0,0,0,0,0|1,0,1]=2 11 B7R0.1 CCCCCCCS HL0937 [0,0,0,0,0,0|0,1,1]=2 12 B7R0.1 CCCCCC[Mg]Cl LQ5137 [0,0,0,0,0,0|2,0,0]=2 13 B7R0.1 CCCCCN=C=O JZ2397 [0,0,0,0,0,0|1,0,1]=2 14 B7R0.1 CCCCCNCC JZ5218 [0,0,0,0,0,0|2,0,1]=3 15 B7R0.1 CCCCCON=O LQ0831 [0,0,0,0,0,0|2,0,0]=2 16 B7R0.1 CCCCNCCC LQ4205 [0,0,0,0,0,0|2,0,1]=3 17 B7R0.1 CCCCOCCO XJ0413 [0,0,0,0,0,0|1,0,2]=3 18 B7R0.1 CCCCSCC#N XJ6193 [0,0,0,0,0,0|2,0,1]=3 19 B7R0.1 CCCSSCCC LQ1250 [0,0,0,0,0,0|3,0,1]=4 20 B7R0.1 CCC\C=C/CCC LQ3284 [0,0,0,0,0,0|1,0,3]=4 21 B7R0.1 CCC\C=C/CCO JZ4690 [0,0,0,0,0,0|0,0,4]=4 22 B7R0.1 CCNCCNCC XJ0412 [0,0,0,0,0,0|3,0,1]=4 23 B7R0.1 CCOCCCCCl XJ5238 [0,0,0,0,0,0|2,0,1]=3 24 B7R0.1 CCOCCCCO LT2386 [0,0,0,0,0,0|1,0,2]=3 25 B7R0.1 CC\C=C/CCCO XJ3057 [0,0,0,0,0,0|0,0,4]=4 26 B7R0.1 CC\C=C\C=C\C=O LQ2607 [0,0,0,0,0,0|0,0,4]=4 27 B7R0.1 COCCOCCCl YH05405 [0,0,0,0,0,0|3,0,1]=4 28 B7R0.1 COCCOCCO XJ0414 [0,0,0,0,0,0|2,0,2]=4 29 B7R0.1 C\C=C\CCCCC XJ0407 [0,0,0,0,0,0|1,0,1]=2 30 B7R0.1 ClCCCCCCI XJ5164 [0,0,0,0,0,0|2,0,1]=3 31 B7R0.1 FCCCCCCBr XJ0714 [0,0,0,0,0,0|2,0,1]=3 32 B7R0.1 ICCCCCCI LQ1246 [0,0,0,0,0,0|2,0,1]=3 33 B7R0.1 N#CCCCCCN XJ2152 [0,0,0,0,0,0|2,0,1]=3 34 B7R0.1 NCCCCCCBr RT0122 [0,0,0,0,0,0|2,0,1]=3 35 B7R0.1 NCCCCCCN RT0396 [0,0,0,0,0,0|2,0,1]=3 36 B7R0.1 NCCCNCCBr YH48383 [0,0,0,0,0,0|3,0,1]=4 37 B7R0.1 NCCCNCCN LQ3660 [0,0,0,0,0,0|3,0,1]=4 38 B7R0.1 NCCCNCCO XJ2715 [0,0,0,0,0,0|2,0,2]=4 39 B7R0.1 NCCCNCCS RT17267 [0,0,0,0,0,0|2,1,1]=4 40 B7R0.1 OCCCCCCCl LT3732 [0,0,0,0,0,0|1,0,2]=3 41 B7R0.1 OCCCCCCS HL0924 [0,0,0,0,0,0|1,0,2]=3 42 B7R0.1 OCCCNCCCl RT0430 [0,0,0,0,0,0|2,0,2]=4 43 B7R0.1 SCCCCCCS JZ4451 [0,0,0,0,0,0|1,1,1]=3 44 B7R0.1 [N-]=[N+]=NCCCCO RT18776 [0,0,0,0,0,0|4,0,0]=4 45 B6R0.6 BrCCNCCBr RT17682 [1,0,0,0,0,0|3,0,0]=4 46 B6R0.6 BrCCOCCBr HL2958 [1,0,0,0,0,0|3,0,0]=4 47 B6R0.6 C#CCCCCC HL0285 [1,0,0,0,0,0|0,0,2]=3 48 B6R0.6 C#CCCCCO LQ1526 [1,0,0,0,0,0|0,0,3]=4 49 B6R0.6 C=CCCCCCl LQ1525 [1,0,0,0,0,0|1,0,1]=3 50 B6R0.6 C=CCSSCC LT5765 [1,0,0,0,0,0|2,0,1]=4 51 B6R0.6 CCCC#CCO XJ1342 [1,0,0,0,0,0|0,0,3]=4 52 B6R0.6 CCCCCC#N HL0286 [1,0,0,0,0,0|1,0,1]=3 53 B6R0.6 CCCCCCCl HL1956 [1,0,0,0,0,0|1,0,0]=2 54 B6R0.6 CCCCCCI JZ4066 [1,0,0,0,0,0|1,0,0]=2 55 B6R0.6 CCCCCCO XJ0385 [1,0,0,0,0,0|0,0,1]=2 56 B6R0.6 CCCCCCS XJ0387 [1,0,0,0,0,0|0,1,0]=2 57 B6R0.6 CCCCCNC LT5645 [1,0,0,0,0,0|1,0,1]=3 58 B6R0.6 CCCCC[Mg]Cl JZ2964 [1,0,0,0,0,0|2,0,0]=3 59 B6R0.6 CCCCN=C=S HL0124 [1,0,0,0,0,0|1,1,1]=4 60 B6R0.6 CCCCOCC HL0289 [1,0,0,0,0,0|1,0,1]=3 61 B6R0.6 CCCCOCCl LT4489 [1,0,0,0,0,0|2,0,0]=3 62 B6R0.6 CCCCSC#N HL0290 [1,0,0,0,0,0|2,0,1]=4 63 B6R0.6 CCCCSCC JZ4067 [1,0,0,0,0,0|1,0,1]=3 64 B6R0.6 CCCNCCC RT1163 [1,0,0,0,0,0|1,0,1]=3 65 B6R0.6 CCCSSCC LT5405 [1,0,0,0,0,0|2,0,1]=4 66 B6R0.6 CCC\C=C/CO LQ1528 [1,0,0,0,0,0|0,0,3]=4 67 B6R0.6 CCC\C=C\C=O LQ3146 [1,0,0,0,0,0|0,0,2]=3 68 B6R0.6 CCNCCC#N RT4893 [1,0,0,0,0,0|2,0,1]=4 69 B6R0.6 CCNCCCN HL4191 [1,0,0,0,0,0|2,0,0]=3 70 B6R0.6 CCOCCC#N LQ3792 [1,0,0,0,0,0|2,0,1]=4 71 B6R0.6 CCOCCC#N LT2930 [1,0,0,0,0,0|2,0,1]=4 72 B6R0.6 CCOCCCCl XJ5236 [1,0,0,0,0,0|2,0,0]=3 73 B6R0.6 CCOCCOC LQ2802 [1,0,0,0,0,0|2,0,1]=4 74 B6R0.6 CCSCSCC RT19812 [1,0,0,0,0,0|2,0,1]=4 75 B6R0.6 CC\C=C/CCO LT4581 [1,0,0,0,0,0|0,0,3]=4 76 B6R0.6 CC\C=C\CCC HL0123 [1,0,0,0,0,0|0,0,3]=4 77 B6R0.6 CNCCCNC XJ0389 [1,0,0,0,0,0|2,0,1]=4 78 B6R0.6 CSCCCSC LQ4459 [1,0,0,0,0,0|2,0,1]=4 79 B6R0.6 C\C=C\CCCO XJ3000 [1,0,0,0,0,0|0,0,3]=4 80 B6R0.6 C\C=C\SCCC YH55419 [1,0,0,0,0,0|2,0,1]=4 81 B6R0.6 ClCCCCCI XJ5888 [1,0,0,0,0,0|2,0,0]=3 82 B6R0.6 ClCCNCCCl LQ1470 [1,0,0,0,0,0|3,0,0]=4 83 B6R0.6 ClCCOCCI YH66175 [1,0,0,0,0,0|3,0,0]=4 84 B6R0.6 ICCCCCI HL0288 [1,0,0,0,0,0|2,0,0]=3 85 B6R0.6 N#CCCCCBr HL2959 [1,0,0,0,0,0|2,0,1]=4 86 B6R0.6 NCCCCCBr RT0436 [1,0,0,0,0,0|2,0,0]=3 87 B6R0.6 NCCCCCN LQ0829 [1,0,0,0,0,0|2,0,0]=3 88 B6R0.6 NCCCCCO HL2296 [1,0,0,0,0,0|1,0,1]=3 89 B6R0.6 NCCNCCN XJ0391 [1,0,0,0,0,0|3,0,0]=4 90 B6R0.6 NCCNCCO JZ0125 [1,0,0,0,0,0|2,0,1]=4 91 B6R0.6 NCCOCCO LQ1534 [1,0,0,0,0,0|2,0,1]=4 92 B6R0.6 O=CCCCC=O LT7833 [1,0,0,0,0,0|1,0,1]=3 93 B6R0.6 O=CCCCC=O YH24624 [1,0,0,0,0,0|1,0,1]=3 94 B6R0.6 O=CCCCCO YH66094 [1,0,0,0,0,0|1,0,0]=2 95 B6R0.6 OCCCCCCl JZ2653 [1,0,0,0,0,0|1,0,1]=3 96 B6R0.6 OCCNCCO LT7673 [1,0,0,0,0,0|2,0,1]=4 97 B6R0.6 OCCOCCCl JZ0962 [1,0,0,0,0,0|2,0,1]=4 98 B6R0.6 OCCSCCO XJ0395 [1,0,0,0,0,0|2,0,1]=4 99 B6R0.6 SCCSCCS JZ2349 [1,0,0,0,0,0|2,1,0]=4 100 B8R0.1 C=CCC(O)CCCC LQ5051 [0,1,0,0,0,0|1,0,0]=2 101 B8R0.1 CCCCN(C)CCN XJ4506 [0,1,0,0,0,0|2,0,1]=4 102 B8R0.4 C#CCCCCCC#C JZ1986 [0,1,0,0,0,0|1,0,2]=4 103 B8R0.4 C#CCCCCCCC LQ2434 [0,1,0,0,0,0|1,0,1]=3 104 B8R0.4 C#CCCCCCCO RT0526 [0,1,0,0,0,0|1,0,1]=3 105 B8R0.4 C=CCCCCCCC HL1481 [0,1,0,0,0,0|1,0,0]=2 106 B8R0.4 CCCCC#CCCO JZ4975 [0,1,0,0,0,0|0,0,3]=4 107 B8R0.4 CCCCCC#CCO XJ4574 [0,1,0,0,0,0|0,0,3]=4 108 B8R0.4 CCCCCCCC#N HL1482 [0,1,0,0,0,0|1,0,1]=3 109 B8R0.4 CCCCCCCCBr XJ0418 [0,1,0,0,0,0|1,0,1]=3 110 B8R0.4 CCCCCCCCC XJ0421 [0,1,0,0,0,0|1,0,1]=3 111 B8R0.4 CCCCCCCCI LQ1253 [0,1,0,0,0,0|1,0,1]=3 112 B8R0.4 CCCCCCCCN YH24980 [0,1,0,0,0,0|1,0,1]=3 113 B8R0.4 CCCCCCCCS XJ0423 [0,1,0,0,0,0|0,1,1]=3 114 B8R0.4 CCCCCCN=C=S JZ2537 [0,1,0,0,0,0|0,1,1]=3 115 B8R0.4 CCCCCCNCC JZ5362 [0,1,0,0,0,0|1,0,1]=3 116 B8R0.4 CCCCCSCCO JZ5724 [0,1,0,0,0,0|0,0,2]=3 117 B8R0.4 CCCCOCCCC HL1566 [0,1,0,0,0,0|1,0,1]=3 118 B8R0.4 CCCCOCCCC LT4297 [0,1,0,0,0,0|1,0,1]=3 119 B8R0.4 CCCC[SnH4+2]CCCC LL0102 [0,1,0,0,0,0|1,0,1]=3 120 B8R0.4 CCC\C=C\C=C\C=O LT5073 [0,1,0,0,0,0|0,0,3]=4 121 B8R0.4 COCCNCCOC XJ0426 [0,1,0,0,0,0|3,0,0]=4 122 B8R0.4 CSCCCCN=C=S RT1003 [0,1,0,0,0,0|1,1,1]=4 123 B8R0.4 CSCCCCN=[N+]=[N-] RT1005 [0,1,0,0,0,0|3,0,0]=4 124 B8R0.4 N#CCCCCCC#N XJ1218 [0,1,0,0,0,0|1,0,2]=4 125 B8R0.4 NCCCCCCCN XJ1217 [0,1,0,0,0,0|1,0,1]=3 126 B8R0.4 NCCCCCCCO YH43193 [0,1,0,0,0,0|0,0,2]=3 127 B8R0.4 NCCCCNCCO JZ5587 [0,1,0,0,0,0|1,0,2]=4 128 B8R0.4 NCCCNCCCN LQ0039 [0,1,0,0,0,0|2,0,1]=4 129 B8R0.4 OCCCNCCCO YH65471 [0,1,0,0,0,0|1,0,2]=4 130 B8R0.6 C#CC(O)CCCCC LQ1462 [0,1,0,0,0,0|1,0,1]=3 131 B8R0.6 C=CC(=O)OCCCC XJ0575 [0,1,0,0,0,0|2,0,1]=4 132 B8R0.6 C=CC(O)CCCCC HL2529 [0,1,0,0,0,0|1,0,0]=2 133 B8R0.6 CCCCCC(=O)CC HL1322 [0,1,0,0,0,0|1,0,2]=4 134 B8R0.6 CCCCCC(=O)OC HL1324 [0,1,0,0,0,0|2,0,1]=4 135 B8R0.6 CCCCCC(O)CC HL0071 [0,1,0,0,0,0|1,0,1]=3 136 B8R0.6 CCCCOC(=O)C=O LQ3022 [0,1,0,0,0,0|1,0,1]=3 137 B8R0.6 COC(=O)CCCC=O YH09376 [0,1,0,0,0,0|1,0,1]=3 138 B8R0.6 OCCCCC(O)CO HL1323 [0,1,0,0,0,0|1,0,2]=4 139 B8R0.7 C=CCCCCC(=O)O XJ1588 [0,1,0,0,0,0|0,0,2]=3 140 B8R0.7 CC(=O)OCCCCCl LT2385 [0,1,0,0,0,0|2,0,0]=3 141 B8R0.7 CC(=O)OCCCCI LQ5055 [0,1,0,0,0,0|2,0,0]=3 142 B8R0.7 CC(=O)OCCOCBr YH19992 [0,1,0,0,0,0|3,0,0]=4 143 B8R0.7 CC(=O)SCCCC#N RT17765 [0,1,0,0,0,0|2,0,1]=4 144 B8R0.7 CC(C)CCCCC=O RT0529 [0,1,0,0,0,0|0,0,0]=1 145 B8R0.7 CC(C)CCCCCO RT1226 [0,1,0,0,0,0|0,0,2]=3 146 B8R0.7 CCCCCCC(=O)O XJ0376 [0,1,0,0,0,0|0,0,0]=1 147 B8R0.7 CCCCCCC(C)Br LQ1034 [0,1,0,0,0,0|1,0,1]=3 148 B8R0.7 CCCCCCC(C)N LQ1330 [0,1,0,0,0,0|1,0,1]=3 149 B8R0.7 CCCCCCC(C)O XJ2646 [0,1,0,0,0,0|0,0,2]=3 150 B8R0.7 CCCCCCC(C)O XJ2647 [0,1,0,0,0,0|0,0,2]=3 151 B8R0.7 CCCCCCC(C)S XJ2345 [0,1,0,0,0,0|0,1,1]=3 152 B8R0.7 CCCCCCN(C)C JZ2511 [0,1,0,0,0,0|2,0,0]=3 153 B8R0.7 CCCCCC[C@H](C)O XJ6892 [0,1,0,0,0,0|0,0,2]=3 154 B8R0.7 CCCCCC[N+](=O)[O-] RT0284 [0,1,0,0,0,0|1,0,0]=2 155 B8R0.7 CCCCCOC(=S)[S-] XJ2277 [0,1,0,0,0,0|1,1,0]=3 156 B8R0.7 CCCCCOC(C)=O HL0284 [0,1,0,0,0,0|1,0,0]=2 157 B8R0.7 CCCCOCC(=O)O HL2310 [0,1,0,0,0,0|1,0,0]=2 158 B8R0.7 CCCCOCC(C)O JZ5031 [0,1,0,0,0,0|1,0,2]=4 159 B8R0.7 CCCC\C=C\C(C)=O XJ4452 [0,1,0,0,0,0|0,0,2]=3 160 B8R0.7 CCOCCOC(=O)Cl JZ0072 [0,1,0,0,0,0|2,0,0]=3 161 B8R0.7 CSCCCOC(C)=O LQ3932 [0,1,0,0,0,0|2,0,0]=3 162 B8R0.7 N#CCCCCC(N)=O RT4815 [0,1,0,0,0,0|1,0,1]=3 163 B8R0.7 NCCCCCC(=O)O JZ1196 [0,1,0,0,0,0|1,0,0]=2 164 B8R0.7 NCCCCCC(=O)O RT0574 [0,1,0,0,0,0|1,0,0]=2 165 B8R0.7 NCCC\C=C\C(=O)O RT5552 [0,1,0,0,0,0|1,0,2]=4 166 B8R0.7 O=C(Cl)CCCCCCl XJ4464 [0,1,0,0,0,0|1,0,0]=2 167 B8R0.7 O=C(O)CCCCCBr HL2738 [0,1,0,0,0,0|1,0,0]=2 168 B8R0.7 O=C(O)CCCCCCl LT3590 [0,1,0,0,0,0|1,0,0]=2 169 B8R0.7 O=C(O)CCCCCO JZ4450 [0,1,0,0,0,0|1,0,0]=2 170 B8R1.2 C=CC1CC=CCC1 HL1264 [0,0,0,1,0,0|1,0,2]=4 171 B8R1.2 CCC1CCCCC1 LQ1884 [0,0,0,1,0,0|1,0,1]=3 172 B8R1.2 CCC1CCCCN1 HL0893 [0,0,0,1,0,0|1,0,1]=3 173 B8R1.2 CCN1CCCCC1 JZ0120 [0,0,0,1,0,0|2,0,1]=4 174 B8R1.2 CC[C@H]1CNCCN1 YH45335 [0,0,0,1,0,0|2,0,1]=4 175 B8R1.2 CNC1CCCNC1 LT0416 [0,0,0,1,0,0|3,0,0]=4 176 B8R1.2 CNC1CCNCC1 YH02204 [0,0,0,1,0,0|3,0,0]=4 177 B8R1.2 CNC1CCOCC1 YH47081 [0,0,0,1,0,0|3,0,0]=4 178 B8R1.2 Cl[Mg]C1CCCCC1 LQ1557 [0,0,0,1,0,0|2,0,0]=3 179 B8R1.2 N#CC1CCCCC1 XJ1358 [0,0,0,1,0,0|1,0,1]=3 180 B8R1.2 N#CC1CCCCN1 LT6523 [0,0,0,1,0,0|2,0,1]=4 181 B8R1.2 N#CC1CCCNC1 YH17001 [0,0,0,1,0,0|2,0,1]=4 182 B8R1.2 N#CC1CCNCC1 YH48709 [0,0,0,1,0,0|2,0,1]=4 183 B8R1.2 NCC1CCCCO1 YH12666 [0,0,0,1,0,0|1,0,2]=4 184 B8R1.2 NCC1CCCNC1 LQ4363 [0,0,0,1,0,0|2,0,1]=4 185 B8R1.2 NCC1CCNCC1 LT0451 [0,0,0,1,0,0|2,0,1]=4 186 B8R1.2 NCC1CCOCC1 HL3392 [0,0,0,1,0,0|2,0,1]=4 187 B8R1.2 NNC1CCCCC1 LX2848 [0,0,0,1,0,0|2,0,0]=3 188 B8R1.2 NNC1CCCCC1 YH12039 [0,0,0,1,0,0|2,0,0]=3 189 B8R1.2 O=CC1=CCCCC1 JZ4462 [0,0,0,1,0,0|0,0,2]=3 190 B8R1.2 O=CC1CCC=CO1 HL1284 [0,0,0,1,0,0|1,0,2]=4 191 B8R1.2 O=CC1CCCCC1 JZ0373 [0,0,0,1,0,0|0,0,0]=1 192 B8R1.2 O=CC1CCCCC1 LT7159 [0,0,0,1,0,0|0,0,0]=1 193 B8R1.2 O=CC1CCNCC1 YH04107 [0,0,0,1,0,0|1,0,0]=2 194 B8R1.2 O=CN1CCCCC1 JZ2045 [0,0,0,1,0,0|1,0,0]=2 195 B8R1.2 O=CN1CCNCC1 JZ3205 [0,0,0,1,0,0|2,0,0]=3 196 B8R1.2 O=CN1CCOCC1 JZ2522 [0,0,0,1,0,0|2,0,0]=3 197 B8R1.2 O=NN1CCNCC1 RT15111 [0,0,0,1,0,0|3,0,0]=4 198 B8R1.2 O=NN1CCOCC1 RT17897 [0,0,0,1,0,0|3,0,0]=4 199 B8R1.2 OCC1CCC=CO1 LT2060 [0,0,0,1,0,0|1,0,2]=4 200 B8R1.2 OCC1CCCCC1 HL1270 [0,0,0,1,0,0|0,0,2]=3 201 B8R1.2 OCC1CCCCN1 LT1609 [0,0,0,1,0,0|1,0,2]=4 202 B8R1.2 OCC1CCCNC1 LT0402 [0,0,0,1,0,0|1,0,2]=4 203 B8R1.2 OCC1CCNCC1 LT0484 [0,0,0,1,0,0|1,0,2]=4 204 B8R1.2 OCC1CCOCC1 JZ4923 [0,0,0,1,0,0|1,0,2]=4 205 B8R1.2 ONC1CCCCC1 JZ5616 [0,0,0,1,0,0|1,0,1]=3 206 B8R1.5 C=C1CCCCC1Cl RT11015 [0,0,0,1,0,0|2,0,0]=3 207 B8R1.5 CC1CCCCC1=O XJ1009 [0,0,0,1,0,0|0,0,0]=1 208 B8R1.5 CC1CCCCC1C XJ1006 [0,0,0,1,0,0|1,0,1]=3 209 B8R1.5 CC1CCCCC1O XJ1008 [0,0,0,1,0,0|0,0,2]=3 210 B8R1.5 CC1CNCCC1=O YH08115 [0,0,0,1,0,0|1,0,0]=2 211 B8R1.5 C[C@@H]1CCCC[C@H]1N YH96335 [0,0,0,1,0,0|1,0,1]=3 212 B8R1.5 NC1CCCCC1N LQ1351 [0,0,0,1,0,0|2,0,1]=4 213 B8R1.5 NC1CCCCC1O JZ2993 [0,0,0,1,0,0|1,0,2]=4 214 B8R1.5 NC1CCCC[C@H]1N RT4156 [0,0,0,1,0,0|2,0,1]=4 215 B8R1.5 NC1CCCNC1=O YH33632 [0,0,0,1,0,0|2,0,0]=3 216 B8R1.5 NN1CCCCC1=O YH54161 [0,0,0,1,0,0|2,0,0]=3 217 B8R1.5 NN1CCCOC1=O RT4104 [0,0,0,1,0,0|3,0,0]=4 218 B8R1.5 N[C@@H]1CCCC[C@H]1N HL4195 [0,0,0,1,0,0|2,0,1]=4 219 B8R1.5 N[C@@H]1CCCC[C@H]1N RT4814 [0,0,0,1,0,0|2,0,1]=4 220 B8R1.5 N[C@@H]1CCCC[C@H]1N XJ1617 [0,0,0,1,0,0|2,0,1]=4 221 B8R1.5 N[C@@H]1CCCC[C@H]1O LQ2896 [0,0,0,1,0,0|1,0,2]=4 222 B8R1.5 N[C@H]1CCCC[C@@H]1N YH46273 [0,0,0,1,0,0|2,0,1]=4 223 B8R1.5 N[C@H]1CCCC[C@H]1N XJ1753 [0,0,0,1,0,0|2,0,1]=4 224 B8R1.5 O=C1CCCC=C1I YH66603 [0,0,0,1,0,0|1,0,2]=4 225 B8R1.5 O=C1CCCCC1=O XJ1356 [0,0,0,1,0,0|1,0,1]=3 226 B8R1.5 O=C1CCCCC1Br LX2735 [0,0,0,1,0,0|1,0,0]=2 227 B8R1.5 O=C1CCCCC1Cl LQ1480 [0,0,0,1,0,0|1,0,0]=2 228 B8R1.5 O=C1CCCCC1F LQ1350 [0,0,0,1,0,0|1,0,0]=2 229 B8R1.5 O=C1CCNCC1F YH23614 [0,0,0,1,0,0|2,0,0]=3 230 B8R1.5 O=C1CCOCC1O CJ3043 [0,0,0,1,0,0|2,0,0]=3 231 B8R1.5 OC1CCCCC1O LQ1555 [0,0,0,1,0,0|1,0,2]=4 232 B8R1.5 O[C@@H]1CCCC[C@@H]1Cl LT2047 [0,0,0,1,0,0|1,0,2]=4 233 B8R1.5 O[C@@H]1CCCC[C@H]1F XJ1265 [0,0,0,1,0,0|1,0,2]=4 234 B8R1.5 O[C@H]1CCCC[C@H]1O XJ1939 [0,0,0,1,0,0|1,0,2]=4 235 B8R1.5 [NH-][C@@H]1CCCC[C@H]1[NH-] RT4589 [0,0,0,1,0,0|2,0,1]=4 236 B8R1.8 BrCCN1CCCC1 LX2478 [0,0,0,1,0,0|2,0,1]=4 237 B8R1.8 BrCCN1CCCC1 YH06128 [0,0,0,1,0,0|2,0,1]=4 238 B8R1.8 C#CCC1CCCC1 HL3291 [0,0,0,1,0,0|1,0,1]=3 239 B8R1.8 CCOC1CCCO1 XJ3908 [0,0,0,1,0,0|1,0,2]=4 240 B8R1.8 ClCCN1CCCC1 HL2871 [0,0,0,1,0,0|2,0,1]=4 241 B8R1.8 ClCCN1CCCC1 LQ3213 [0,0,0,1,0,0|2,0,1]=4 242 B8R1.8 N#CCC1CCCC1 LQ1738 [0,0,0,1,0,0|1,0,1]=3 243 B8R1.8 O=CCC1CCCC1 RT17688 [0,0,0,1,0,0|0,0,0]=1 244 B8R1.8 O=CCC1CCCO1 RT17487 [0,0,0,1,0,0|1,0,0]=2 245 B8R1.8 O=CCC1CCOC1 RT15000 [0,0,0,1,0,0|1,0,0]=2 246 B8R1.8 OCCC1CCNC1 YH96359 [0,0,0,1,0,0|1,0,2]=4 247 B8R1.8 OCCN1CCCC1 JZ2200 [0,0,0,1,0,0|1,0,2]=4 248 B8R1.11 CCC1CCCC1=O XJ2821 [0,0,0,1,0,0|0,0,0]=1 249 B8R1.11 CCN1CCCC1=O YH50862 [0,0,0,1,0,0|1,0,0]=2 250 B8R1.11 C[C@H]1CNC[C@@H]1CO YH97380 [0,0,0,1,0,0|1,0,2]=4 251 B8R1.11 N#CC1CCCC1=O JZ2170 [0,0,0,1,0,0|1,0,1]=3 252 B8R1.22 CC1CCCCCN1 RT15388 [0,0,0,1,0,0|1,0,1]=3 253 B8R1.22 CC1CCCNCC1 RT15402 [0,0,0,1,0,0|2,0,1]=4 254 B8R1.22 CN1CCCNCC1 LQ2672 [0,0,0,1,0,0|3,0,0]=4 255 B8R1.22 NC1CCCCCC1 LQ2890 [0,0,0,1,0,0|1,0,1]=3 256 B8R1.22 NC1CCCCNC1 YH66537 [0,0,0,1,0,0|2,0,1]=4 257 B8R1.22 NN1CCCCCC1 LT0330 [0,0,0,1,0,0|2,0,0]=3 258 B8R1.22 O=C1CCCCCC1 LT4672 [0,0,0,1,0,0|0,0,0]=1 259 B8R1.22 O=C1CCCNCC1 XJ5502 [0,0,0,1,0,0|1,0,0]=2 260 B8R1.22 O=C1COCCOC1 YH51929 [0,0,0,1,0,0|2,0,0]=3 261 B8R1.22 OC1CCCCCC1 XJ0857 [0,0,0,1,0,0|0,0,2]=3 262 B8R1.36 CCCNCC1CC1 LQ4507 [0,0,0,1,0,0|2,0,1]=4 263 B8R1.49 C1=CCCC=CCC1 JZ4626 [0,0,0,1,0,0|1,0,2]=4 264 B8R1.49 C1=CCCC=CCC1 LQ3488 [0,0,0,1,0,0|1,0,2]=4 265 B8R1.49 C1=CCCC=CCC1 LQ3498 [0,0,0,1,0,0|1,0,2]=4 266 B8R1.49 C1=CCCC=CCC1 LQ3501 [0,0,0,1,0,0|1,0,2]=4 267 B8R1.49 C1=CCCC=CCC1 LQ3507 [0,0,0,1,0,0|1,0,2]=4 268 B8R1.49 C1=CCCC=CCC1 XJ6687 [0,0,0,1,0,0|1,0,2]=4 269 B8R1.49 C1=CCCC=CCC1 YH56305 [0,0,0,1,0,0|1,0,2]=4 270 B8R1.49 C1=CCCCCCC1 LQ1558 [0,0,0,1,0,0|1,0,0]=2 271 B8R1.49 C1CCCCCCC1 LL0633 [0,0,0,1,0,0|1,0,1]=3 272 B8R1.49 C1CNCCCNC1 YH07623 [0,0,0,1,0,0|2,0,1]=4 273 B5R0.2 BrCCCCBr RT17667 [2,0,0,0,0,0|2,0,0]=4 274 B5R0.2 C#CCCCC LQ1326 [2,0,0,0,0,0|0,0,2]=4 275 B5R0.2 C=CCCCBr XJ1587 [2,0,0,0,0,0|1,0,1]=4 276 B5R0.2 CCCCC#N LL0427 [2,0,0,0,0,0|1,0,1]=4 277 B5R0.2 CCCCCI HL0274 [2,0,0,0,0,0|1,0,0]=3 278 B5R0.2 CCCCNC LL0434 [2,0,0,0,0,0|1,0,0]=3 279 B5R0.2 CCCCSC HL0277 [2,0,0,0,0,0|1,0,0]=3 280 B5R0.2 CCCC[SnH]=O LQ5214 [2,0,0,0,0,0|1,0,0]=3 281 B5R0.2 CCCN=C=O LL0443 [2,0,0,0,0,0|1,0,1]=4 282 B5R0.2 CCCOC=O LL0440 [2,0,0,0,0,0|1,0,0]=3 283 B5R0.2 CCCOCCl JZ2364 [2,0,0,0,0,0|2,0,0]=4 284 B5R0.2 CCCSCC LT5403 [2,0,0,0,0,0|1,0,0]=3 285 B5R0.2 CCNCCO LL0439 [2,0,0,0,0,0|1,0,1]=4 286 B5R0.2 CCNNCC LQ3339 [2,0,0,0,0,0|2,0,0]=4 287 B5R0.2 CCOCCBr HL0120 [2,0,0,0,0,0|2,0,0]=4 288 B5R0.2 CCOCCCl HL0279 [2,0,0,0,0,0|2,0,0]=4 289 B5R0.2 CCOCCO LL0444 [2,0,0,0,0,0|1,0,1]=4 290 B5R0.2 CC\C=C\CC JZ3712 [2,0,0,0,0,0|0,0,2]=4 291 B5R0.2 CNCCNC LL0436 [2,0,0,0,0,0|2,0,0]=4 292 B5R0.2 CNCCOC LQ4938 [2,0,0,0,0,0|2,0,0]=4 293 B5R0.2 COCCC=O YH51649 [2,0,0,0,0,0|1,0,0]=3 294 B5R0.2 COCCCCl LQ4914 [2,0,0,0,0,0|2,0,0]=4 295 B5R0.2 COCCCN LT2986 [2,0,0,0,0,0|2,0,0]=4 296 B5R0.2 CSCCC=O LT3092 [2,0,0,0,0,0|1,0,0]=3 297 B5R0.2 CSCCCN XJ2622 [2,0,0,0,0,0|2,0,0]=4 298 B5R0.2 CSCCCO XJ0883 [2,0,0,0,0,0|1,0,1]=4 299 B5R0.2 C\C=C\CCC XJ2577 [2,0,0,0,0,0|0,0,2]=4 300 B5R0.2 ClCCCCI XJ3625 [2,0,0,0,0,0|2,0,0]=4 301 B5R0.2 ICCCCI HL0276 [2,0,0,0,0,0|2,0,0]=4 302 B5R0.2 NCCCCCl JZ1120 [2,0,0,0,0,0|2,0,0]=4 303 B5R0.2 NCCCCN LL0428 [2,0,0,0,0,0|2,0,0]=4 304 B5R0.2 NCCCCO XJ3835 [2,0,0,0,0,0|1,0,1]=4 305 B5R0.2 O=CCCC=O YH11511 [2,0,0,0,0,0|1,0,1]=4 306 B5R0.2 OCCCCCl LQ1521 [2,0,0,0,0,0|1,0,1]=4 307 B5R0.2 OCCCCF RT1165 [2,0,0,0,0,0|1,0,1]=4 308 B7R0.3 C#CC(O)CCCC JZ3102 [1,1,0,0,0,0|0,0,2]=4 309 B7R0.3 C=CCC[C@H](O)CCl YH66482 [1,1,0,0,0,0|1,0,1]=4 310 B7R0.3 CCCCC(=O)CC XJ0362 [1,1,0,0,0,0|0,0,2]=4 311 B7R0.3 CCCCC(C)CC HL0067 [1,1,0,0,0,0|0,0,1]=3 312 B7R0.3 CCCCC(O)CO RT17609 [1,1,0,0,0,0|0,0,1]=3 313 B7R0.3 CCOCC(O)CCl HL2668 [1,1,0,0,0,0|2,0,0]=4 314 B7R0.3 COC(=O)CCC=O YH33690 [1,1,0,0,0,0|1,0,1]=4 315 B7R0.4 C(=O)OCCC(C)C LL0422 [1,1,0,0,0,0|1,0,0]=3 316 B7R0.4 C=CCCCC(C)C JZ3497 [1,1,0,0,0,0|0,0,1]=3 317 B7R0.4 CC(=O)SCCCBr RT1374 [1,1,0,0,0,0|2,0,0]=4 318 B7R0.4 CC(C)CCCC=O RT0513 [1,1,0,0,0,0|0,0,0]=2 319 B7R0.4 CC(C)CCCCO RT0516 [1,1,0,0,0,0|0,0,1]=3 320 B7R0.4 CC(C)OCCCN LT2607 [1,1,0,0,0,0|2,0,0]=4 321 B7R0.4 CCCCCC(C)C HL0115 [1,1,0,0,0,0|0,0,1]=3 322 B7R0.4 CCCCCC(C)N JZ2985 [1,1,0,0,0,0|0,0,1]=3 323 B7R0.4 CCCCCC(C)N XJ0515 [1,1,0,0,0,0|0,0,1]=3 324 B7R0.4 CCCCCC(N)=O HL0268 [1,1,0,0,0,0|0,0,0]=2 325 B7R0.4 CCCCC[C@H](C)O JZ2825 [1,1,0,0,0,0|0,0,1]=3 326 B7R0.4 CCCCNC(N)=S LQ1811 [1,1,0,0,0,0|1,1,0]=4 327 B7R0.4 CCCCOC(=S)[S-] XJ1408 [1,1,0,0,0,0|1,1,0]=4 328 B7R0.4 CCCCOC(C)=O HL1469 [1,1,0,0,0,0|1,0,0]=3 329 B7R0.4 CCCCOC(N)=O LT4346 [1,1,0,0,0,0|1,0,0]=3 330 B7R0.4 CCCCO[N+](=O)[O-] RT17647 [1,1,0,0,0,0|2,0,0]=4 331 B7R0.4 CCCCSC(C)=O LQ1519 [1,1,0,0,0,0|1,0,0]=3 332 B7R0.4 CCCNCC(C)O RT1462 [1,1,0,0,0,0|1,0,1]=4 333 B7R0.4 CCC\C=C\C(=O)O JZ4447 [1,1,0,0,0,0|0,0,2]=4 334 B7R0.4 CCC\C=C\C(C)=O XJ1585 [1,1,0,0,0,0|0,0,2]=4 335 B7R0.4 CN(C)CCCCN JZ2305 [1,1,0,0,0,0|2,0,0]=4 336 B7R0.4 CNCCCC(=O)O RT0333 [1,1,0,0,0,0|1,0,0]=3 337 B7R0.4 COCCOC(=O)Cl HL0272 [1,1,0,0,0,0|2,0,0]=4 338 B7R0.4 CS(=O)CCCCN RT4961 [1,1,0,0,0,0|2,0,0]=4 339 B7R0.4 C[S@@](=O)CCCCN RT4965 [1,1,0,0,0,0|2,0,0]=4 340 B7R0.4 C\C=C\CCC(=O)[O-] HL0269 [1,1,0,0,0,0|0,0,2]=4 341 B7R0.4 O=C(Cl)CCCCBr HL2752 [1,1,0,0,0,0|1,0,0]=3 342 B7R0.4 O=C(Cl)CCCCCl LT3549 [1,1,0,0,0,0|1,0,0]=3 343 B7R0.4 O=C(Cl)COCCCl RT17538 [1,1,0,0,0,0|2,0,0]=4 344 B7R0.4 O=C(Cl)OCCCCl LT2580 [1,1,0,0,0,0|2,0,0]=4 345 B7R0.4 O=C(O)CCCCBr JZ0370 [1,1,0,0,0,0|1,0,0]=3 346 B7R0.4 O=C(O)CNCCO RT16423 [1,1,0,0,0,0|2,0,0]=4 347 B7R0.4 O=C([O-])CCCCBr LT3131 [1,1,0,0,0,0|1,0,0]=3 348 B7R0.4 O=C([O-])CCCCO YH65793 [1,1,0,0,0,0|1,0,0]=3 349 B7R0.7 C=CCC(O)CCC JZ2295 [1,1,0,0,0,0|0,0,1]=3 350 B7R0.7 CC(CCBr)CCBr XJ2711 [1,1,0,0,0,0|2,0,0]=4 351 B7R0.7 CC(CCO)CCO XJ2710 [1,1,0,0,0,0|1,0,1]=4 352 B7R0.7 CCCC(Br)CCC HL0633 [1,1,0,0,0,0|0,0,1]=3 353 B7R0.7 CCCN(C)CCC HL2547 [1,1,0,0,0,0|1,0,1]=4 354 B7R0.7 CCCS(=O)CCC LQ2622 [1,1,0,0,0,0|1,0,1]=4 355 B7R0.7 CCOC(=O)CC=O YH56003 [1,1,0,0,0,0|1,0,1]=4 356 B7R0.7 C\C=C\C(O)CCC JZ2612 [1,1,0,0,0,0|1,0,1]=4 357 B9R0.5 CCCCCC(=O)CCC XJ2740 [0,2,0,0,0,0|1,0,1]=4 358 B9R0.5 CCCCCC(O)CCC LQ2960 [0,2,0,0,0,0|1,0,1]=4 359 B9R0.18 CCCCC(=O)CCCC XJ0861 [0,2,0,0,0,0|1,0,1]=4 360 B9R0.48 CCCC(=O)NCC(=O)O RT5454 [0,2,0,0,0,0|1,0,1]=4 361 B9R0.48 CCCC(C)CCC(C)=O LQ5431 [0,2,0,0,0,0|0,0,0]=2 362 B9R0.66 CCCCC(C)(O)CCC JZ5568 [0,2,0,0,0,0|1,0,1]=4 363 B9R0.2 CC(C)CCCCCC=O RT1248 [0,2,0,0,0,0|0,0,0]=2 364 B9R0.2 CC(C)CCCCCCO XJ2143 [0,2,0,0,0,0|0,0,2]=4 365 B9R0.2 CC(C)CCCCCCO XJ4926 [0,2,0,0,0,0|0,0,2]=4 366 B9R0.2 CCCCCC#CC(=O)O XJ2930 [0,2,0,0,0,0|0,0,1]=3 367 B9R0.2 CCCCCCCC(=O)[O-] HL2823 [0,2,0,0,0,0|0,0,0]=2 368 B9R0.2 CCCCCCCC(=O)[O-] HL4498 [0,2,0,0,0,0|0,0,0]=2 369 B9R0.2 CCCCCCCC(=O)[O-] LQ1024 [0,2,0,0,0,0|0,0,0]=2 370 B9R0.2 CCCCCCCC(C)=O LQ1471 [0,2,0,0,0,0|0,0,0]=2 371 B9R0.2 CCCCCCCC(C)Br XJ2055 [0,2,0,0,0,0|1,0,1]=4 372 B9R0.2 CCCCCCCC(C)C XJ1411 [0,2,0,0,0,0|1,0,1]=4 373 B9R0.2 CCCCCCCC(C)O LQ1241 [0,2,0,0,0,0|0,0,2]=4 374 B9R0.2 CCC\C=C\COC(C)=O HL2284 [0,2,0,0,0,0|0,0,2]=4 375 B9R0.2 CC\C=C/CCOC(C)=O XJ2549 [0,2,0,0,0,0|0,0,2]=4 376 B9R0.2 CN(C)CCCCCCO RT0044 [0,2,0,0,0,0|0,0,2]=4 377 B9R0.2 NCCSSCCC(=O)O RT4042 [0,2,0,0,0,0|2,0,0]=4 378 B9R0.2 O=C(O)CCCCCCBr YH53191 [0,2,0,0,0,0|0,0,0]=2 379 B9R0.2 O=C(O)CCCCCCO RT17679 [0,2,0,0,0,0|0,0,0]=2 380 B9R0.2 O=C(O)CCSSCCO RT19778 [0,2,0,0,0,0|2,0,0]=4 381 B9R0.45 C#CCCCCCCCC XJ1344 [0,2,0,0,0,0|1,0,1]=4 382 B9R0.45 C=CCCCCCCCC XJ1413 [0,2,0,0,0,0|1,0,0]=3 383 B9R0.45 CCCCC#CCCCC JZ1798 [0,2,0,0,0,0|1,0,1]=4 384 B9R0.45 CCCCCC#CCCO LQ4704 [0,2,0,0,0,0|0,0,2]=4 385 B9R0.45 CCCCCCC#CCO LQ2951 [0,2,0,0,0,0|0,0,2]=4 386 B9R0.45 CCCCCCCCCCl HL2250 [0,2,0,0,0,0|1,0,1]=4 387 B9R0.45 CCCCCCCCCI LQ2646 [0,2,0,0,0,0|1,0,1]=4 388 B9R0.45 CCCCCCCCCN XJ0441 [0,2,0,0,0,0|1,0,1]=4 389 B9R0.45 CCCCCCCCCO HL1569 [0,2,0,0,0,0|0,0,2]=4 390 B9R0.45 CCCCCCCCNC XJ2176 [0,2,0,0,0,0|1,0,1]=4 391 B9R0.45 CCCCCCCCSC LT5548 [0,2,0,0,0,0|0,1,1]=4 392 B9R0.45 CCCCCCCN=C=O JZ2577 [0,2,0,0,0,0|0,0,1]=3 393 B9R0.45 CCCCCCCN=C=S XJ2667 [0,2,0,0,0,0|0,1,1]=4 394 B9R0.45 CCCCCCOCCO XJ0443 [0,2,0,0,0,0|0,0,2]=4 395 B9R0.45 CCCCCC\C=C\C=O LQ4109 [0,2,0,0,0,0|0,0,0]=2 396 B9R0.45 CCCCOCCCCO RT1173 [0,2,0,0,0,0|0,0,2]=4 397 B9R0.45 CCCCSSCCCC LQ1258 [0,2,0,0,0,0|1,0,1]=4 398 B9R0.45 CCCC\C=C\CCCC JZ3144 [0,2,0,0,0,0|1,0,1]=4 399 B9R0.45 CCOCCCCOCC XJ3853 [0,2,0,0,0,0|1,0,1]=4 400 B9R0.45 CC\C=C/CCCCCO LQ4878 [0,2,0,0,0,0|0,0,2]=4 401 B9R0.45 CC\C=C/CC\C=C\C=O LQ1037 [0,2,0,0,0,0|0,0,2]=4 402 B9R0.45 COCCCCCCOC JZ3663 [0,2,0,0,0,0|0,0,2]=4 403 B9R0.45 FCCCCCCCCBr LQ1077 [0,2,0,0,0,0|1,0,1]=4 404 B9R0.45 ICCCCCCCCI LQ4434 [0,2,0,0,0,0|1,0,1]=4 405 B9R0.45 N#CCCCCCCC#N LQ1256 [0,2,0,0,0,0|1,0,1]=4 406 B9R0.45 NCCCCCCCCN XJ0715 [0,2,0,0,0,0|1,0,1]=4 407 B9R0.45 NCCCCNCCCN LT7216 [0,2,0,0,0,0|1,0,1]=4 408 B9R0.45 OCCCCCCCCCl LQ4379 [0,2,0,0,0,0|0,0,2]=4 409 B9R0.45 OCCCCCCCCO LQ1257 [0,2,0,0,0,0|0,0,2]=4 410 B9R0.46 C=CC(O)CCCCCC JZ5474 [0,2,0,0,0,0|1,0,0]=3 411 B9R0.46 CCCCCCC(=O)CC LQ1506 [0,2,0,0,0,0|0,0,0]=2 412 B9R0.46 CCCCCCC(=O)NC LQ4481 [0,2,0,0,0,0|0,0,0]=2 413 B9R0.46 CCCCCCC(C)C=O XJ3439 [0,2,0,0,0,0|0,0,0]=2 414 B9R0.46 CCCCCCC(O)CC XJ1169 [0,2,0,0,0,0|0,0,2]=4 415 B9R0.46 CCCCCOC(=O)CC XJ1170 [0,2,0,0,0,0|1,0,0]=3 416 B9R0.1 COC(=O)CCCC(=O)Cl LQ1781 [0,2,0,0,0,0|1,0,1]=4 417 B9R0.1 COC(C)CCOC(=O)Cl JZ0071 [0,2,0,0,0,0|2,0,0]=4 418 B9R0.1 COC(C)CCOC(C)=O XJ2686 [0,2,0,0,0,0|2,0,0]=4 419 B9R0.20 CCCCCC(C)(C)CC XJ2628 [0,2,0,0,0,0|1,0,1]=4 420 B9R0.20 CCCCCC(C)(O)CC XJ2852 [0,2,0,0,0,0|1,0,1]=4 421 B9R0.47 C(=O)CCC[C@H](N)C(=O)O XJ1581 [0,2,0,0,0,0|1,0,1]=4 422 B9R0.47 C=CCCCC(N)C(=O)O RT18866 [0,2,0,0,0,0|0,0,2]=4 423 B9R0.47 CCCCOC(=O)C(C)=O LT5784 [0,2,0,0,0,0|1,0,1]=4 424 B9R0.47 CCSCC[C@H](N)C(=O)O RT5770 [0,2,0,0,0,0|1,0,0]=3 425 B9R0.47 NCCCCC(N)C(=O)O JZ1418 [0,2,0,0,0,0|1,0,0]=3 426 B9R0.47 NCCCCC(N)C(=O)O JZ1419 [0,2,0,0,0,0|1,0,0]=3 427 B9R0.47 NCCCC[C@@H](N)C(=O)O JZ1430 [0,2,0,0,0,0|1,0,0]=3 428 B9R0.47 NCCCC[C@H](N)C(=O)O JZ0474 [0,2,0,0,0,0|1,0,0]=3 429 B9R0.47 NCCCC[C@H](N)C(=O)O JZ1624 [0,2,0,0,0,0|1,0,0]=3 430 B9R0.47 NCCCC[C@H](N)C(=O)O RT5744 [0,2,0,0,0,0|1,0,0]=3 431 B9R0.47 N[C@@H](CCCCO)C(=O)O RT5052 [0,2,0,0,0,0|1,0,0]=3 432 B9R0.47 N[C@@H](CSCCO)C(=O)O RT5641 [0,2,0,0,0,0|2,0,0]=4 433 B9R0.38 CCCCCCC(C)(C)S JZ5696 [0,2,0,0,0,0|0,1,1]=4 434 B9R0.38 CCCCCCP(=O)(O)O LQ2762 [0,2,0,0,0,0|1,0,0]=3 435 B9R0.38 CCCCCCS(=O)(=O)[O-] HL2404 [0,2,0,0,0,0|1,0,0]=3 436 B9R0.38 CCCCCC[N+](C)(C)C JZ2124 [0,2,0,0,0,0|2,0,0]=4 437 B9R0.38 CCCCCOS(=O)(=O)[O-] LQ1010 [0,2,0,0,0,0|2,0,0]=4 438 B9R0.38 CCCCCOS(N)(=O)=O RT16425 [0,2,0,0,0,0|2,0,0]=4 439 B9R0.38 CCCCCSS(C)(=O)=O RT17819 [0,2,0,0,0,0|2,0,0]=4 440 B9R0.38 O=S(=O)([O-])CCCCCBr RT1180 [0,2,0,0,0,0|2,0,0]=4 441 B9R0.55 CC(=O)NCCCC(=O)O XJ2382 [0,2,0,0,0,0|1,0,1]=4 442 B9R0.55 CC(C)CCCCC(=O)[O-] LL1076 [0,2,0,0,0,0|0,0,0]=2 443 B9R0.55 CC(C)CCCCC(=O)[O-] XJ6478 [0,2,0,0,0,0|0,0,0]=2 444 B9R0.55 CC(C)CCCCC(C)C LQ1649 [0,2,0,0,0,0|1,0,1]=4 445 B9R0.55 NC(=O)CCCCC(N)=O HL0293 [0,2,0,0,0,0|1,0,1]=4 446 B9R0.55 O=C(Cl)CCCCC(=O)Cl XJ0397 [0,2,0,0,0,0|1,0,1]=4 447 B9R0.55 O=C(O)CCCCC(=O)O LQ4458 [0,2,0,0,0,0|1,0,1]=4 448 B9R0.55 O=C(O)CCCCC(=O)O RT17669 [0,2,0,0,0,0|1,0,1]=4 449 B9R0.55 O=C([O-])CCCCC(=O)[O-] JZ5289 [0,2,0,0,0,0|1,0,1]=4 450 B9R0.55 O=C([O-])CCCCC(=O)[O-] LT4846 [0,2,0,0,0,0|1,0,1]=4 451 B7R1.1 BrCC1CCCO1 JZ4457 [1,0,0,1,0,0|1,0,1]=4 452 B7R1.1 Br[Mg]C1CCCC1 YH54994 [1,0,0,1,0,0|2,0,0]=4 453 B7R1.1 C#CC1CCCC1 LQ1549 [1,0,0,1,0,0|0,0,2]=4 454 B7R1.1 CCC1=NCCC1 RT14089 [1,0,0,1,0,0|1,0,1]=4 455 B7R1.1 CCN1CCCC1 LQ3265 [1,0,0,1,0,0|1,0,1]=4 456 B7R1.1 COC1CCCC1 JZ2800 [1,0,0,1,0,0|1,0,1]=4 457 B7R1.1 N#CC1CCCC1 LQ2602 [1,0,0,1,0,0|1,0,1]=4 458 B7R1.1 NCC1CCCN1 YH08114 [1,0,0,1,0,0|2,0,0]=4 459 B7R1.1 NCC1CCNC1 YH13177 [1,0,0,1,0,0|2,0,0]=4 460 B7R1.1 O=CC1CCCC1 XJ1419 [1,0,0,1,0,0|0,0,0]=2 461 B7R1.1 O=CC1CCCO1 LX2512 [1,0,0,1,0,0|1,0,0]=3 462 B7R1.1 OCC1CCCN1 RT14572 [1,0,0,1,0,0|1,0,1]=4 463 B7R1.1 OCC1CCCO1 YH98620 [1,0,0,1,0,0|1,0,1]=4 464 B7R1.1 OC[C@@H]1CCCN1 LT7573 [1,0,0,1,0,0|1,0,1]=4 465 B7R1.1 OC[C@@H]1CCCN1 LT7642 [1,0,0,1,0,0|1,0,1]=4 466 B7R1.1 OC[C@@H]1CCNC1 LL1852 [1,0,0,1,0,0|1,0,1]=4 467 B7R1.1 OC[C@H]1CCNC1 LL1853 [1,0,0,1,0,0|1,0,1]=4 468 B7R1.3 BrC1CCOCC1 YH49891 [1,0,0,1,0,0|2,0,0]=4 469 B7R1.3 CC1=CCCCC1 HL0101 [1,0,0,1,0,0|0,0,1]=3 470 B7R1.3 CC1CCCCC1 LQ0421 [1,0,0,1,0,0|0,0,1]=3 471 B7R1.3 CC1CCCCN1 LQ0427 [1,0,0,1,0,0|1,0,0]=3 472 B7R1.3 CC1CCNCC1 HL0233 [1,0,0,1,0,0|1,0,1]=4 473 B7R1.3 CC1COCCN1 YH00913 [1,0,0,1,0,0|2,0,0]=4 474 B7R1.3 C[C@@H]1CCCCN1 YH66554 [1,0,0,1,0,0|1,0,0]=3 475 B7R1.3 C[C@@H]1COCCN1 XJ6283 [1,0,0,1,0,0|2,0,0]=4 476 B7R1.3 C[C@@H]1COCCN1 YH65950 [1,0,0,1,0,0|2,0,0]=4 477 B7R1.3 C[C@H]1CCCCN1 JZ2253 [1,0,0,1,0,0|1,0,0]=3 478 B7R1.3 C[C@H]1CCCNC1 HL0232 [1,0,0,1,0,0|1,0,1]=4 479 B7R1.3 C[C@H]1CNCCN1 HL4115 [1,0,0,1,0,0|2,0,0]=4 480 B7R1.3 C[C@H]1CNCCN1 YH16978 [1,0,0,1,0,0|2,0,0]=4 481 B7R1.3 ClC1CCNCC1 XJ2904 [1,0,0,1,0,0|2,0,0]=4 482 B7R1.3 FC1CCNCC1 XJ5827 [1,0,0,1,0,0|2,0,0]=4 483 B7R1.3 IC1CCCCC1 HL0234 [1,0,0,1,0,0|1,0,0]=3 484 B7R1.3 N=C1CCCCN1 LT0382 [1,0,0,1,0,0|2,0,0]=4 485 B7R1.3 NC1CCCCC1 JZ0026 [1,0,0,1,0,0|1,0,0]=3 486 B7R1.3 NC1CCCCC1 LT4681 [1,0,0,1,0,0|1,0,0]=3 487 B7R1.3 NC1CCCCC1 RT1317 [1,0,0,1,0,0|1,0,0]=3 488 B7R1.3 NC1CCCNC1 YH06108 [1,0,0,1,0,0|2,0,0]=4 489 B7R1.3 NC1CCCNC1 YH33541 [1,0,0,1,0,0|2,0,0]=4 490 B7R1.3 NC1CCNCC1 LQ3556 [1,0,0,1,0,0|2,0,0]=4 491 B7R1.3 NC1CCNCC1 LQ4843 [1,0,0,1,0,0|2,0,0]=4 492 B7R1.3 NC1CCOCC1 LT5833 [1,0,0,1,0,0|2,0,0]=4 493 B7R1.3 NC1CCOCC1 YH54791 [1,0,0,1,0,0|2,0,0]=4 494 B7R1.3 NN1CCCCC1 RT4329 [1,0,0,1,0,0|2,0,0]=4 495 B7R1.3 NN1CCCCC1 XJ2051 [1,0,0,1,0,0|2,0,0]=4 496 B7R1.3 N[C@@H]1CCCNC1 YH55144 [1,0,0,1,0,0|2,0,0]=4 497 B7R1.3 N[C@H]1CCCNC1 HL4050 [1,0,0,1,0,0|2,0,0]=4 498 B7R1.3 N[C@H]1CCCNC1 LT0322 [1,0,0,1,0,0|2,0,0]=4 499 B7R1.3 O=C1CCCCC1 LQ0425 [1,0,0,1,0,0|0,0,0]=2 500 B7R1.3 O=C1CCCNC1 YH04125 [1,0,0,1,0,0|1,0,0]=3 501 B7R1.3 O=C1CCCNC1 YH10216 [1,0,0,1,0,0|1,0,0]=3 502 B7R1.3 O=C1CCNCC1 YH00798 [1,0,0,1,0,0|1,0,0]=3 503 B7R1.3 O=C1CCOCC1 XJ5024 [1,0,0,1,0,0|1,0,0]=3 504 B7R1.3 O=C1CNCCN1 XJ2918 [1,0,0,1,0,0|2,0,0]=4 505 B7R1.3 O=C1COCCN1 LQ0428 [1,0,0,1,0,0|2,0,0]=4 506 B7R1.3 O=C1COCCO1 HL2425 [1,0,0,1,0,0|2,0,0]=4 507 B7R1.3 O=C1NCCCO1 YH05298 [1,0,0,1,0,0|2,0,0]=4 508 B7R1.3 O=C1OCCCO1 XJ2200 [1,0,0,1,0,0|2,0,0]=4 509 B7R1.3 OC1C=CCCC1 YH66647 [1,0,0,1,0,0|1,0,1]=4 510 B7R1.3 OC1CCCCN1 LQ5146 [1,0,0,1,0,0|1,0,1]=4 511 B7R1.3 OC1CCCNC1 HL4242 [1,0,0,1,0,0|1,0,1]=4 512 B7R1.3 OC1CCCNC1 LT6809 [1,0,0,1,0,0|1,0,1]=4 513 B7R1.3 OC1CCCOC1 RT0503 [1,0,0,1,0,0|1,0,1]=4 514 B7R1.3 OC1CCCSC1 RT19790 [1,0,0,1,0,0|1,0,1]=4 515 B7R1.3 OC1CCNCC1 RT17686 [1,0,0,1,0,0|1,0,1]=4 516 B7R1.3 OC1CCOCC1 HL2134 [1,0,0,1,0,0|1,0,1]=4 517 B7R1.3 OC1CCOCC1 YH45458 [1,0,0,1,0,0|1,0,1]=4 518 B7R1.3 ON1CCCCC1 LT0352 [1,0,0,1,0,0|1,0,1]=4 519 B7R1.3 O[C@@H]1CCCNC1 LT0319 [1,0,0,1,0,0|1,0,1]=4 520 B7R1.3 O[C@H]1CCCNC1 HL4109 [1,0,0,1,0,0|1,0,1]=4 521 B7R1.3 [C@@H]1(C)CNCCN1 LT6105 [1,0,0,1,0,0|2,0,0]=4 522 B7R1.4 CC1=CCCC1=O XJ1611 [1,0,0,1,0,0|0,0,2]=4 523 B7R1.4 CC1CCCC1N RT0500 [1,0,0,1,0,0|1,0,0]=3 524 B7R1.4 CC1CCCC1O XJ4791 [1,0,0,1,0,0|0,0,1]=3 525 B7R1.4 CC1CCNC1=O YH49833 [1,0,0,1,0,0|1,0,0]=3 526 B7R1.4 CC1CCOC1=O LQ1890 [1,0,0,1,0,0|1,0,0]=3 527 B7R1.4 CC1OCCC1=O LT1811 [1,0,0,1,0,0|1,0,0]=3 528 B7R1.4 CC1SCCC1=O LT1812 [1,0,0,1,0,0|1,0,0]=3 529 B7R1.4 CN1CCCC1=O RT4374 [1,0,0,1,0,0|1,0,0]=3 530 B7R1.4 CN1CCCC1=O XJ2240 [1,0,0,1,0,0|1,0,0]=3 531 B7R1.4 CN1CCCC1=S LQ3417 [1,0,0,1,0,0|1,1,0]=4 532 B7R1.4 CN1CCNC1=O RT13275 [1,0,0,1,0,0|2,0,0]=4 533 B7R1.4 CN1CCOC1=O LT3023 [1,0,0,1,0,0|2,0,0]=4 534 B7R1.4 NC1CCCC1O YH93843 [1,0,0,1,0,0|1,0,1]=4 535 B7R1.4 NC1CCNC1=O YH49305 [1,0,0,1,0,0|2,0,0]=4 536 B7R1.4 NC1CCOC1=O LT3746 [1,0,0,1,0,0|2,0,0]=4 537 B7R1.4 NC1CCOC1=O LT3981 [1,0,0,1,0,0|2,0,0]=4 538 B7R1.4 NC1CCSC1=O LT5282 [1,0,0,1,0,0|2,0,0]=4 539 B7R1.4 N[C@@H]1CCC[C@H]1O LT5725 [1,0,0,1,0,0|1,0,1]=4 540 B7R1.4 N[C@@H]1CCC[C@H]1O RT0409 [1,0,0,1,0,0|1,0,1]=4 541 B7R1.4 N[C@@H]1CCC[C@H]1O YH54046 [1,0,0,1,0,0|1,0,1]=4 542 B7R1.4 N[C@@H]1CCOC1=O LL1835 [1,0,0,1,0,0|2,0,0]=4 543 B7R1.4 O=C1OCCC1Br LT3313 [1,0,0,1,0,0|2,0,0]=4 544 B7R1.4 O=C1OCCC1O LT6912 [1,0,0,1,0,0|2,0,0]=4 545 B7R1.6 ClCCN1CCC1 YH26565 [1,0,0,1,0,0|2,0,0]=4 546 B7R1.7 C=CCCC1CO1 YH22163 [1,0,0,1,0,0|1,0,1]=4 547 B7R1.7 C=CCC[C@H]1CO1 YH66356 [1,0,0,1,0,0|1,0,1]=4 548 B7R1.24 C1CCCCCC1 LL0631 [1,0,0,1,0,0|0,0,1]=3 549 B7R1.24 C1CCCNCC1 XJ0396 [1,0,0,1,0,0|1,0,0]=3 550 B7R1.24 C1CCCOCC1 LQ1074 [1,0,0,1,0,0|0,0,1]=3 551 B7R1.24 C1CCCSCC1 RT17551 [1,0,0,1,0,0|0,1,0]=3 552 B7R1.24 C1CNCCNC1 JZ0121 [1,0,0,1,0,0|2,0,0]=4 553 B9R1.7 CCC[C@H]1COC(=O)C1 YH66390 [0,1,0,1,0,0|1,0,0]=3 554 B9R1.7 CCOC1CCC(=O)N1 YH59072 [0,1,0,1,0,0|1,0,0]=3 555 B9R1.8 BrCCC1CCCCC1 HL0957 [0,1,0,1,0,0|1,0,1]=4 556 B9R1.8 C=COC1CCCCC1 LT4678 [0,1,0,1,0,0|1,0,0]=3 557 B9R1.8 CCCC1CCCCN1 LT0385 [0,1,0,1,0,0|1,0,1]=4 558 B9R1.8 CSCN1CCCCC1 LT0505 [0,1,0,1,0,0|2,0,0]=4 559 B9R1.8 ClCCN1CCCCC1 LQ1947 [0,1,0,1,0,0|1,0,1]=4 560 B9R1.8 ClCCN1CCCCC1 LT6058 [0,1,0,1,0,0|1,0,1]=4 561 B9R1.8 N#CC=C1CCCCC1 YH66072 [0,1,0,1,0,0|1,0,1]=4 562 B9R1.8 N#CCC1CCCCC1 LX3031 [0,1,0,1,0,0|1,0,1]=4 563 B9R1.8 N#CCN1CCCCC1 LT0501 [0,1,0,1,0,0|1,0,1]=4 564 B9R1.8 NCCC1CCOCC1 YH12238 [0,1,0,1,0,0|1,0,1]=4 565 B9R1.8 OCCC1CCCCC1 XJ2696 [0,1,0,1,0,0|0,0,2]=4 566 B9R1.8 OCCC1CCCCN1 HL0894 [0,1,0,1,0,0|0,0,2]=4 567 B9R1.8 OCCC1CCCNC1 HL4509 [0,1,0,1,0,0|0,0,2]=4 568 B9R1.8 OCCC1CCNCC1 JZ3997 [0,1,0,1,0,0|0,0,2]=4 569 B9R1.8 OCCC1CCOCC1 YH02520 [0,1,0,1,0,0|0,0,2]=4 570 B9R1.8 OCCN1CCCCC1 HL2424 [0,1,0,1,0,0|0,0,2]=4 571 B9R1.8 OCC[C@@H]1CCCCN1 YH18874 [0,1,0,1,0,0|0,0,2]=4 572 B9R1.8 OCC[C@H]1CCCCN1 RT3869 [0,1,0,1,0,0|0,0,2]=4 573 B9R1.12 BrCCCN1CCCC1 YH25403 [0,1,0,1,0,0|1,0,1]=4 574 B9R1.12 BrCCCN1CCCC1 YH93306 [0,1,0,1,0,0|1,0,1]=4 575 B9R1.12 CCCCN1CCCC1 HL0386 [0,1,0,1,0,0|1,0,1]=4 576 B9R1.12 ClCCCN1CCCC1 LX2632 [0,1,0,1,0,0|1,0,1]=4 577 B9R1.12 ClCCCN1CCCC1 XJ5409 [0,1,0,1,0,0|1,0,1]=4 578 B9R1.12 O=C\C=C\C1CCCC1 YH66556 [0,1,0,1,0,0|0,0,1]=3 579 B9R1.12 OCCCC1CCCO1 RT15043 [0,1,0,1,0,0|0,0,2]=4 580 B9R1.12 OCCCN1CCCC1 YH43756 [0,1,0,1,0,0|0,0,2]=4 581 B9R1.15 C=CN1CCCCC1=O RT15514 [0,1,0,1,0,0|0,0,2]=4 582 B9R1.15 CCC1CCCCC1=O XJ2656 [0,1,0,1,0,0|0,0,0]=2 583 B9R1.15 CN1CCCCC1CO LT0356 [0,1,0,1,0,0|0,0,2]=4 584 B9R1.33 C=CCN1CCCC1=O YH50864 [0,1,0,1,0,0|0,0,2]=4 585 B9R1.33 CN1CCCC1CCCl RT4547 [0,1,0,1,0,0|1,0,1]=4 586 B9R1.33 CN1CCCC1CCN LQ5165 [0,1,0,1,0,0|1,0,1]=4 587 B9R1.33 O=C1NCCN1CCCl JZ1962 [0,1,0,1,0,0|2,0,0]=4 588 B9R1.49 CN1CCCC(=O)CC1 CJ2109 [0,1,0,1,0,0|1,0,0]=3 589 B9R1.49 CN1CCNC(=O)CC1 LQ2863 [0,1,0,1,0,0|2,0,0]=4 590 B9R1.49 CN1CCNC(=O)CC1 YH09522 [0,1,0,1,0,0|2,0,0]=4 591 B9R1.50 BrC1CCCCCCC1 JZ4634 [0,1,0,1,0,0|1,0,1]=4 592 B9R1.50 O=C1CCCCCCC1 XJ0860 [0,1,0,1,0,0|0,0,0]=2 593 B9R1.50 O=C1CCCCCCN1 YH13198 [0,1,0,1,0,0|0,0,0]=2 594 B9R1.50 OC1CCCCCCC1 LQ1369 [0,1,0,1,0,0|0,0,2]=4 595 B9R1.69 CC1CN(C)CCC1=O YH02404 [0,1,0,1,0,0|1,0,0]=3 596 B9R1.5 NC1CCCCNC1=O YH41189 [0,1,0,1,0,0|1,0,0]=3 597 B9R1.5 N[C@H]1CCCCNC1=O JZ0849 [0,1,0,1,0,0|1,0,0]=3 598 B9R1.5 O=C1CCCCCN1Br XJ2178 [0,1,0,1,0,0|1,0,0]=3 599 B9R1.14 CCN1CCC[C@H]1CN RT3977 [0,1,0,1,0,0|1,0,1]=4 600 B9R1.83 C=CCCCCC1CO1 XJ4548 [0,1,0,1,0,0|1,0,0]=3 601 B9R1.83 CCCCCCC1CO1 XJ2325 [0,1,0,1,0,0|0,0,2]=4 602 B9R1.83 CCCCOCC1CO1 XJ2135 [0,1,0,1,0,0|0,0,2]=4 603 B9R1.89 COC1=NCCCCC1 YH49605 [0,1,0,1,0,0|1,0,1]=4 604 B9R1.89 N#CC1CCCCCC1 XJ5102 [0,1,0,1,0,0|1,0,1]=4 605 B9R1.89 NCC1CCCCCC1 RT4713 [0,1,0,1,0,0|1,0,1]=4 606 B9R1.89 O=CN1CCCCCC1 JZ5623 [0,1,0,1,0,0|0,0,0]=2 607 B9R1.1 NCC1CCC(N)CC1 XJ3851 [0,1,0,1,0,0|1,0,1]=4 608 B9R1.1 N[C@H]1CC[C@H](CO)CC1 RT1412 [0,1,0,1,0,0|0,0,2]=4 609 B9R1.3 CC1C(=O)CCCC1=O JZ4470 [0,1,0,1,0,0|0,0,1]=3 610 B9R1.3 CC1CCCC(=O)C1=O XJ2361 [0,1,0,1,0,0|0,0,1]=3 611 B9R1.3 CC1CCCC(C)N1N LT0329 [0,1,0,1,0,0|2,0,0]=4 612 B9R1.118 C#CC1(O)CCCCC1 LL0108 [0,1,0,1,0,0|1,0,1]=4 613 B9R1.118 CC1(CO)CCCCC1 RT17446 [0,1,0,1,0,0|0,0,2]=4 614 B9R1.118 N#CC1(O)CCCCC1 LQ1559 [0,1,0,1,0,0|1,0,1]=4 615 B9R1.6 CC(=O)C1=CCCCC1 JZ4276 [0,1,0,1,0,0|0,0,2]=4 616 B9R1.6 CC(=O)C1=NCCCC1 RT15379 [0,1,0,1,0,0|1,0,1]=4 617 B9R1.6 CC(=O)C1CCCCN1 YH98487 [0,1,0,1,0,0|1,0,0]=3 618 B9R1.6 CC(=O)C1CCOCC1 YH65687 [0,1,0,1,0,0|1,0,0]=3 619 B9R1.6 CC(=O)N1CCCCC1 LQ3683 [0,1,0,1,0,0|1,0,0]=3 620 B9R1.6 CC(C)C1CCCCC1 LQ1361 [0,1,0,1,0,0|1,0,1]=4 621 B9R1.6 CC(O)C1CCCCN1 RT14152 [0,1,0,1,0,0|1,0,1]=4 622 B9R1.6 N=C(N)C1CCNCC1 LT0512 [0,1,0,1,0,0|2,0,0]=4 623 B9R1.6 N=C(N)N1CCCCC1 LT0509 [0,1,0,1,0,0|2,0,0]=4 624 B9R1.6 NC(=O)C1CCCNC1 YH00565 [0,1,0,1,0,0|1,0,0]=3 625 B9R1.6 NC(=O)C1CCNCC1 RT4533 [0,1,0,1,0,0|1,0,0]=3 626 B9R1.6 NC(=O)C1CNCCN1 YH88949 [0,1,0,1,0,0|2,0,0]=4 627 B9R1.6 O=C(Cl)C1CCCCC1 XJ2272 [0,1,0,1,0,0|0,0,0]=2 628 B9R1.6 O=C(Cl)C1CCOCC1 LQ4996 [0,1,0,1,0,0|1,0,0]=3 629 B9R1.6 O=C(O)C1=CCCCC1 JZ4029 [0,1,0,1,0,0|0,0,2]=4 630 B9R1.6 O=C(O)C1CC=CCC1 JZ4561 [0,1,0,1,0,0|0,0,2]=4 631 B9R1.6 O=C(O)C1CC=CCC1 SY0237 [0,1,0,1,0,0|0,0,2]=4 632 B9R1.6 O=C(O)C1CCCCN1 LT0384 [0,1,0,1,0,0|1,0,0]=3 633 B9R1.6 O=C(O)C1CCCNC1 LT2969 [0,1,0,1,0,0|1,0,0]=3 634 B9R1.6 O=C(O)C1CCNCC1 LT3745 [0,1,0,1,0,0|1,0,0]=3 635 B9R1.6 O=C(O)C1CCOCC1 XJ2848 [0,1,0,1,0,0|1,0,0]=3 636 B9R1.6 O=C(O)C1CNCCN1 HL2333 [0,1,0,1,0,0|2,0,0]=4 637 B9R1.6 O=C(O)C1CNCCN1 YH52942 [0,1,0,1,0,0|2,0,0]=4 638 B9R1.6 O=C(O)C1CNCCO1 YH52809 [0,1,0,1,0,0|2,0,0]=4 639 B9R1.6 O=C(O)C1COCCN1 HL4648 [0,1,0,1,0,0|2,0,0]=4 640 B9R1.6 O=C(O)N1CCCCC1 RT9921 [0,1,0,1,0,0|1,0,0]=3 641 B9R1.6 O=C(O)[C@@H]1CC=CCC1 YH07763 [0,1,0,1,0,0|0,0,2]=4 642 B9R1.6 O=C(O)[C@@H]1CCCNC1 YH49486 [0,1,0,1,0,0|1,0,0]=3 643 B9R1.6 O=C(O)[C@@H]1CNCCN1 HL3574 [0,1,0,1,0,0|2,0,0]=4 644 B9R1.6 O=C(O)[C@@H]1CNCCN1 YH37461 [0,1,0,1,0,0|2,0,0]=4 645 B9R1.6 O=C(O)[C@@H]1COCCN1 LX3021 [0,1,0,1,0,0|2,0,0]=4 646 B9R1.6 O=C(O)[C@H]1CCCCN1 JZ0473 [0,1,0,1,0,0|1,0,0]=3 647 B9R1.6 O=C(O)[C@H]1CCCCN1 LX2188 [0,1,0,1,0,0|1,0,0]=3 648 B9R1.6 O=C(O)[C@H]1CCCNC1 YH08791 [0,1,0,1,0,0|1,0,0]=3 649 B9R1.6 O=C(O)[C@H]1CCCNC1 YH89771 [0,1,0,1,0,0|1,0,0]=3 650 B9R1.6 O=C(O)[C@H]1CNCCN1 LQ4703 [0,1,0,1,0,0|2,0,0]=4 651 B9R1.6 OB(O)C1CCCCC1 XJ2694 [0,1,0,1,0,0|1,0,1]=4 652 B9R1.6 S=C([S-])N1CCCCC1 XJ0254 [0,1,0,1,0,0|1,1,0]=4 653 B9R1.13 O=C(Cl)CC1CCCC1 HL0661 [0,1,0,1,0,0|0,0,0]=2 654 B9R1.13 O=C(Cl)OC1CCCC1 XJ5552 [0,1,0,1,0,0|1,0,0]=3 655 B9R1.13 O=C(O)CC1CCCC1 HL0662 [0,1,0,1,0,0|0,0,0]=2 656 B9R1.13 O=C(O)CC1CCCN1 RT14441 [0,1,0,1,0,0|1,0,0]=3 657 B9R1.13 O=C(O)CC1CCSS1 YH57107 [0,1,0,1,0,0|2,0,0]=4 658 B9R1.13 O=C(O)C[C@@H]1CCCN1 LQ5306 [0,1,0,1,0,0|1,0,0]=3 659 B9R1.13 O=C(O)C[C@@H]1CCNC1 YH28994 [0,1,0,1,0,0|1,0,0]=3 660 B9R1.13 O=C(O)C[C@H]1CCNC1 LX2326 [0,1,0,1,0,0|1,0,0]=3 661 B9R1.13 O=C([O-])CC1CCCC1 HL0733 [0,1,0,1,0,0|0,0,0]=2 662 B9R1.41 CC(C)N1CCCC1=O HL2628 [0,1,0,1,0,0|1,0,0]=3 663 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O LX2597 [0,1,0,1,0,0|1,0,0]=3 664 B9R1.41 NN1CCC[C@@H]1C(=O)O RT5473 [0,1,0,1,0,0|2,0,0]=4 665 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O YH58047 [0,1,0,1,0,0|1,0,0]=3 666 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O HL3616 [0,1,0,1,0,0|1,0,0]=3 667 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O XJ4455 [0,1,0,1,0,0|1,0,0]=3 668 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O RT15056 [0,1,0,1,0,0|2,0,0]=4 669 B9R1.85 O=C(O)COCC1CC1 RT17500 [0,1,0,1,0,0|1,0,0]=3 670 B9R1.86 O=C(O)CC1CC1CS RT19795 [0,1,0,1,0,0|1,0,0]=3 671 B9R1.148 CC1(O)CCCCCC1 HL2619 [0,1,0,1,0,0|0,0,2]=4 672 B9R2.39 SC1CC2CCC1C2 RT11262 [0,0,0,2,0,0|0,1,1]=4 673 B9R2.3 C1CC2CNCC2C1 XJ6850 [0,0,0,2,0,0|1,0,1]=4 674 B9R2.3 [C@H]12CCC[C@H]1C=NC2 YH66610 [0,0,0,2,0,0|1,0,0]=3 675 B9R2.7 O=C1CC2C=CCC12 JZ3661 [0,0,0,2,0,0|0,0,2]=4