0 B8R0.6 C=CC(=O)OCCC#N C154007 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.6 CCCC=CC(=O)OC M134288 [0,0,0,0,0,0|1,0,3]=4 2 B8R0.6 CCCCCC(=O)C=C O160047 [0,0,0,0,0,0|0,0,0]=0 3 B8R0.6 CCCCCC(=O)CC O106928 [0,0,0,0,0,0|0,0,2]=2 4 B8R0.6 CCCCCC(=O)CC O106929 [0,0,0,0,0,0|0,0,2]=2 5 B8R0.6 CCCCCC(=O)OC M112312 [0,0,0,0,0,0|1,0,1]=2 6 B8R0.6 CCCCCC(=O)OC M112313 [0,0,0,0,0,0|1,0,1]=2 7 B8R0.6 CCCCCC(=O)OC M112314 [0,0,0,0,0,0|1,0,1]=2 8 B8R0.6 CCCCCC(C#C)O O113758 [0,0,0,0,0,0|0,0,4]=4 9 B8R0.6 CCCCCC(C)CC M158522 [0,0,0,0,0,0|1,0,3]=4 10 B8R0.6 CCCCCC(C=C)O O102968 [0,0,0,0,0,0|0,0,2]=2 11 B8R0.6 CCCCCC(C=C)O S463982 [0,0,0,0,0,0|0,0,2]=2 12 B8R0.6 CCCCCC(CC)O O159907 [0,0,0,0,0,0|0,0,4]=4 13 B8R0.6 CCCCCN(C)N=O N347915 [0,0,0,0,0,0|4,0,0]=4 14 B8R0.6 CCCCNC(=O)C=C N405436 [0,0,0,0,0,0|1,0,0]=1 15 B8R0.6 CCCCNC(=O)CCl N193799 [0,0,0,0,0,0|2,0,1]=3 16 B8R0.6 CCCCOC(=O)C=C B100034 [0,0,0,0,0,0|1,0,0]=1 17 B8R0.6 CCCCOC(=O)C=C B100035 [0,0,0,0,0,0|1,0,0]=1 18 B8R0.6 CCCCOC(=O)C=C B100036 [0,0,0,0,0,0|1,0,0]=1 19 B8R0.6 CCCCOC(=O)C=C B100037 [0,0,0,0,0,0|1,0,0]=1 20 B8R0.6 CCCCOC(=O)CC B152863 [0,0,0,0,0,0|1,0,2]=3 21 B8R0.6 CCCCOC(=O)CCl B152888 [0,0,0,0,0,0|2,0,1]=3 22 B8R0.6 CCCCOC(=O)CO B134012 [0,0,0,0,0,0|2,0,1]=3 23 B8R0.6 CCCCOC(=O)CO B493056 [0,0,0,0,0,0|2,0,1]=3 24 B8R0.6 CCCCOC(=O)CS B152740 [0,0,0,0,0,0|2,0,1]=3 25 B8R0.6 COC(=O)CCCC=C M158008 [0,0,0,0,0,0|1,0,3]=4 26 B8R0.6 COC(=O)CCCC=O M589623 [0,0,0,0,0,0|2,0,2]=4 27 B8R0.6 COC(=O)CCCCBr M157983 [0,0,0,0,0,0|2,0,1]=3 28 B8R0.6 COC(=O)CCCCCl M167259 [0,0,0,0,0,0|2,0,1]=3 29 B8R0.6 COC(=O)COCCCl M195238 [0,0,0,0,0,0|3,0,1]=4 30 B8R0.6 COCCOC(=O)C=C E102687 [0,0,0,0,0,0|2,0,0]=2 31 B8R0.6 COCCOC(=O)C=C P133111 [0,0,0,0,0,0|2,0,0]=2 32 B8R0.6 COCCOC(=O)C=C P133370 [0,0,0,0,0,0|2,0,0]=2 33 B8R0.6 COCCOC(=O)C=C P136232 [0,0,0,0,0,0|2,0,0]=2 34 B7R0.1 C=CCCCCC=C O159998 [1,0,0,0,0,0|0,0,3]=4 35 B7R0.1 C=CCCCCCBr B134159 [1,0,0,0,0,0|1,0,1]=3 36 B7R0.1 C=CCCCCCO H156869 [1,0,0,0,0,0|1,0,1]=3 37 B7R0.1 C=COCCCCO T161688 [1,0,0,0,0,0|2,0,0]=3 38 B7R0.1 C=COCCCCO T299067 [1,0,0,0,0,0|2,0,0]=3 39 B7R0.1 CCCCC=CC=O T161484 [1,0,0,0,0,0|1,0,1]=3 40 B7R0.1 CCCCC=CCC C153584 [1,0,0,0,0,0|0,0,3]=4 41 B7R0.1 CCCCC=CCC T161817 [1,0,0,0,0,0|0,0,3]=4 42 B7R0.1 CCCCC=CCO T161435 [1,0,0,0,0,0|1,0,2]=4 43 B7R0.1 CCCCCC=CC C153583 [1,0,0,0,0,0|0,0,1]=2 44 B7R0.1 CCCCCC=CC O159996 [1,0,0,0,0,0|0,0,1]=2 45 B7R0.1 CCCCCC=CC T161814 [1,0,0,0,0,0|0,0,1]=2 46 B7R0.1 CCCCCCC#C O109633 [1,0,0,0,0,0|0,0,3]=4 47 B7R0.1 CCCCCCC#N H156965 [1,0,0,0,0,0|1,0,2]=4 48 B7R0.1 CCCCCCC=C O108659 [1,0,0,0,0,0|0,0,1]=2 49 B7R0.1 CCCCCCC=C O108660 [1,0,0,0,0,0|0,0,1]=2 50 B7R0.1 CCCCCCC=O H105934 [1,0,0,0,0,0|1,0,1]=3 51 B7R0.1 CCCCCCC=O H105935 [1,0,0,0,0,0|1,0,1]=3 52 B7R0.1 CCCCCCCBr B109258 [1,0,0,0,0,0|1,0,2]=4 53 B7R0.1 CCCCCCCC O100577 [1,0,0,0,0,0|0,0,3]=4 54 B7R0.1 CCCCCCCC O100578 [1,0,0,0,0,0|0,0,3]=4 55 B7R0.1 CCCCCCCC O100580 [1,0,0,0,0,0|0,0,3]=4 56 B7R0.1 CCCCCCCC O100581 [1,0,0,0,0,0|0,0,3]=4 57 B7R0.1 CCCCCCCC O119714 [1,0,0,0,0,0|0,0,3]=4 58 B7R0.1 CCCCCCCCl C153657 [1,0,0,0,0,0|1,0,2]=4 59 B7R0.1 CCCCCCCI I157581 [1,0,0,0,0,0|1,0,2]=4 60 B7R0.1 CCCCCCCN H113175 [1,0,0,0,0,0|1,0,2]=4 61 B7R0.1 CCCCCCCO H108210 [1,0,0,0,0,0|1,0,2]=4 62 B7R0.1 CCCCCCCO H108211 [1,0,0,0,0,0|1,0,2]=4 63 B7R0.1 CCCCCCCO H108212 [1,0,0,0,0,0|1,0,2]=4 64 B7R0.1 CCCCCCCS H102322 [1,0,0,0,0,0|1,0,2]=4 65 B7R0.1 CCCCCCNC N341547 [1,0,0,0,0,0|1,0,2]=4 66 B7R0.1 CCCCCCOC H157292 [1,0,0,0,0,0|1,0,2]=4 67 B7R0.1 CCCCCN=C=O P352487 [1,0,0,0,0,0|2,0,1]=4 68 B7R0.1 CCCCCOC=O A151451 [1,0,0,0,0,0|2,0,0]=3 69 B7R0.1 CCCCCON=O A151126 [1,0,0,0,0,0|3,0,0]=4 70 B7R0.1 CCCCOCC=C A151096 [1,0,0,0,0,0|1,0,1]=3 71 B7R0.1 CCCSSCC=C A103096 [1,0,0,0,0,0|2,0,1]=4 72 B7R0.3 C(CC(=O)NN)CO B301222 [1,0,0,0,0,0|3,0,0]=4 73 B7R0.3 C=CC(=O)NCCO N159040 [1,0,0,0,0,0|2,0,0]=3 74 B7R0.3 C=CC(=O)OCC#C P472190 [1,0,0,0,0,0|1,0,2]=4 75 B7R0.3 C=CC(=O)OCCCl C477272 [1,0,0,0,0,0|2,0,0]=3 76 B7R0.3 C=CC(=O)OCCO H104535 [1,0,0,0,0,0|2,0,0]=3 77 B7R0.3 C=CCOC(=O)C=C A151727 [1,0,0,0,0,0|1,0,2]=4 78 B7R0.3 CCCCC(=C)CC E156236 [1,0,0,0,0,0|1,0,2]=4 79 B7R0.3 CCCCC(=O)CC H103766 [1,0,0,0,0,0|0,0,2]=3 80 B7R0.3 CCCCC(=O)NN P135113 [1,0,0,0,0,0|2,0,0]=3 81 B7R0.3 CCCCC(=O)OC M108213 [1,0,0,0,0,0|1,0,1]=3 82 B7R0.3 CCCCC(=O)OC M108214 [1,0,0,0,0,0|1,0,1]=3 83 B7R0.3 CCCCC(C=C)O H589251 [1,0,0,0,0,0|0,0,2]=3 84 B7R0.3 CCCNC(=O)C=C N404954 [1,0,0,0,0,0|1,0,0]=2 85 B7R0.3 CCCOC(=O)CC P111531 [1,0,0,0,0,0|1,0,2]=4 86 B7R0.3 CCCOC(=O)CC P111532 [1,0,0,0,0,0|1,0,2]=4 87 B7R0.3 COC(=O)CCCBr M158832 [1,0,0,0,0,0|2,0,1]=4 88 B7R0.3 COC(=O)CCCBr M492178 [1,0,0,0,0,0|2,0,1]=4 89 B7R0.3 COC(=O)CCCCl C108118 [1,0,0,0,0,0|2,0,1]=4 90 B7R0.3 COC(=O)CCCI M167258 [1,0,0,0,0,0|2,0,1]=4 91 B7R0.3 COC(=O)CCCN M124081 [1,0,0,0,0,0|2,0,1]=4 92 B7R0.3 COC(=O)CCSC M302466 [1,0,0,0,0,0|2,0,1]=4 93 B7R0.3 COCCC(=O)OC M134953 [1,0,0,0,0,0|2,0,1]=4 94 B7R0.4 B(CCCCC)(O)O N193507 [1,0,0,0,0,0|2,0,1]=4 95 B7R0.4 C#CCCCC(=O)O H111132 [1,0,0,0,0,0|1,0,2]=4 96 B7R0.4 C(CC#N)CC(=O)O C184246 [1,0,0,0,0,0|2,0,1]=4 97 B7R0.4 C(CCBr)CC(=O)Cl B138857 [1,0,0,0,0,0|2,0,0]=3 98 B7R0.4 C(CCBr)CC(=O)O B106966 [1,0,0,0,0,0|2,0,0]=3 99 B7R0.4 C(CCCl)CC(=O)Cl C102473 [1,0,0,0,0,0|2,0,0]=3 100 B7R0.4 C(CCCl)CC(=O)O C153468 [1,0,0,0,0,0|2,0,0]=3 101 B7R0.4 C(CCN)CC(=O)O A107493 [1,0,0,0,0,0|2,0,0]=3 102 B7R0.4 C(CCN)CC(=O)O A151151 [1,0,0,0,0,0|2,0,0]=3 103 B7R0.4 C(CCN)CC(=O)O A151349 [1,0,0,0,0,0|2,0,0]=3 104 B7R0.4 C(CCN)CC(=O)O A491891 [1,0,0,0,0,0|2,0,0]=3 105 B7R0.4 C(CCN)CC(=O)O A491894 [1,0,0,0,0,0|2,0,0]=3 106 B7R0.4 C(CCO)CC(=O)[O-] H184096 [1,0,0,0,0,0|2,0,0]=3 107 B7R0.4 C(CCl)OCC(=O)N C193030 [1,0,0,0,0,0|3,0,0]=4 108 B7R0.4 C(CNCC(=O)O)N A124646 [1,0,0,0,0,0|3,0,0]=4 109 B7R0.4 C=CCCCC(=O)O H157078 [1,0,0,0,0,0|1,0,2]=4 110 B7R0.4 CC(=O)CCCC#N K157732 [1,0,0,0,0,0|1,0,2]=4 111 B7R0.4 CC(=O)CCCCCl C108058 [1,0,0,0,0,0|1,0,1]=3 112 B7R0.4 CC(=O)OCCCCl C135233 [1,0,0,0,0,0|2,0,1]=4 113 B7R0.4 CC(=O)OCCOC M106167 [1,0,0,0,0,0|2,0,1]=4 114 B7R0.4 CC(=O)SCCCBr B333089 [1,0,0,0,0,0|2,0,1]=4 115 B7R0.4 CCC=CCC(=O)O H101494 [1,0,0,0,0,0|1,0,2]=4 116 B7R0.4 CCCC=CC(=O)C H156932 [1,0,0,0,0,0|0,0,3]=4 117 B7R0.4 CCCC=CC(=O)O H107513 [1,0,0,0,0,0|1,0,2]=4 118 B7R0.4 CCCC=CC(=O)O H400070 [1,0,0,0,0,0|1,0,2]=4 119 B7R0.4 CCCCCC(=C)C M158504 [1,0,0,0,0,0|1,0,0]=2 120 B7R0.4 CCCCCC(=O)C H103803 [1,0,0,0,0,0|0,0,1]=2 121 B7R0.4 CCCCCC(=O)C H103827 [1,0,0,0,0,0|0,0,1]=2 122 B7R0.4 CCCCCC(=O)Cl H102419 [1,0,0,0,0,0|1,0,0]=2 123 B7R0.4 CCCCCC(=O)Cl H130076 [1,0,0,0,0,0|1,0,0]=2 124 B7R0.4 CCCCCC(=O)N H157108 [1,0,0,0,0,0|1,0,0]=2 125 B7R0.4 CCCCCC(=O)O H103630 [1,0,0,0,0,0|1,0,0]=2 126 B7R0.4 CCCCCC(=O)O H103631 [1,0,0,0,0,0|1,0,0]=2 127 B7R0.4 CCCCCC(=O)O H103632 [1,0,0,0,0,0|1,0,0]=2 128 B7R0.4 CCCCCC(=O)O H278778 [1,0,0,0,0,0|1,0,0]=2 129 B7R0.4 CCCCCC(=O)O H432079 [1,0,0,0,0,0|1,0,0]=2 130 B7R0.4 CCCCCC(=O)[O-] S161313 [1,0,0,0,0,0|1,0,0]=2 131 B7R0.4 CCCCCC(C)C M113649 [1,0,0,0,0,0|1,0,2]=4 132 B7R0.4 CCCCCC(C)C M406726 [1,0,0,0,0,0|1,0,2]=4 133 B7R0.4 CCCCCC(C)N A166657 [1,0,0,0,0,0|1,0,2]=4 134 B7R0.4 CCCCCC(C)N A421028 [1,0,0,0,0,0|1,0,2]=4 135 B7R0.4 CCCCCC(C)N S474322 [1,0,0,0,0,0|1,0,2]=4 136 B7R0.4 CCCCCC(C)O H100747 [1,0,0,0,0,0|0,0,3]=4 137 B7R0.4 CCCCCC(C)O I137289 [1,0,0,0,0,0|0,0,3]=4 138 B7R0.4 CCCCNC(=O)N B152704 [1,0,0,0,0,0|2,0,0]=3 139 B7R0.4 CCCCNC(=S)N B181673 [1,0,0,0,0,0|2,1,0]=4 140 B7R0.4 CCCCOC(=O)C B116224 [1,0,0,0,0,0|1,0,1]=3 141 B7R0.4 CCCCOC(=O)C B116225 [1,0,0,0,0,0|1,0,1]=3 142 B7R0.4 CCCCOC(=O)C B116227 [1,0,0,0,0,0|1,0,1]=3 143 B7R0.4 CCCCOC(=O)C B116228 [1,0,0,0,0,0|1,0,1]=3 144 B7R0.4 CCCCOC(=O)C B119685 [1,0,0,0,0,0|1,0,1]=3 145 B7R0.4 CCCCOC(=O)N B152422 [1,0,0,0,0,0|2,0,0]=3 146 B7R0.4 CCCCOC(=S)[S-] P160349 [1,0,0,0,0,0|2,1,0]=4 147 B7R0.4 CCCCO[N+](=O)[O-] N334844 [1,0,0,0,0,0|3,0,0]=4 148 B7R0.4 CCOCCC(=O)C E156453 [1,0,0,0,0,0|1,0,1]=3 149 B7R0.4 CCOCCC(=O)O E156172 [1,0,0,0,0,0|2,0,0]=3 150 B7R0.4 CNCCCC(=O)O M276212 [1,0,0,0,0,0|2,0,0]=3 151 B7R0.4 CNCCCC(=O)O M397624 [1,0,0,0,0,0|2,0,0]=3 152 B7R0.4 COCCCC(=O)O M192558 [1,0,0,0,0,0|2,0,0]=3 153 B7R0.4 COCCOC(=O)Cl M158778 [1,0,0,0,0,0|3,0,0]=4 154 B7R0.4 [CH]CCCCC(=O)[N] P111447 [1,0,0,0,0,0|1,0,1]=3 155 B7R0.4 [CH]CCCCC(=O)[N] P128923 [1,0,0,0,0,0|1,0,1]=3 156 B9R0.1 C=CC(=O)OCCC(=O)O C303186 [0,1,0,0,0,0|2,0,1]=4 157 B9R0.1 CC(=CCCC(=C)C=C)C M101320 [0,1,0,0,0,0|1,0,2]=4 158 B9R0.1 CC(=CCCC(=C)C=C)C M101322 [0,1,0,0,0,0|1,0,2]=4 159 B9R0.1 CC(=CCCC(=C)C=C)C M196396 [0,1,0,0,0,0|1,0,2]=4 160 B9R0.1 CC(=O)CCCC(=O)OC M299485 [0,1,0,0,0,0|1,0,2]=4 161 B9R0.1 CC(C)CCOC(=O)C=C I157701 [0,1,0,0,0,0|1,0,0]=2 162 B9R0.1 CCC(=O)OCCC(C)C I101112 [0,1,0,0,0,0|1,0,2]=4 163 B9R0.1 CN(C)CCOC(=O)C=C D102735 [0,1,0,0,0,0|2,0,0]=3 164 B9R0.5 CCCCCC(=O)CCC N158991 [0,1,0,0,0,0|0,0,2]=3 165 B9R0.5 CCCCCC(=O)OC=C V162949 [0,1,0,0,0,0|0,0,0]=1 166 B9R0.5 CCCCCC(=O)OCC E103497 [0,1,0,0,0,0|0,0,2]=3 167 B9R0.5 CCCCCC(=O)OCC E103498 [0,1,0,0,0,0|0,0,2]=3 168 B9R0.5 CCCCCC(=O)OCC E103499 [0,1,0,0,0,0|0,0,2]=3 169 B9R0.5 CCCCOC(=O)C=CC B152883 [0,1,0,0,0,0|1,0,0]=2 170 B9R0.5 CCCCOC(=O)C=CC B293404 [0,1,0,0,0,0|1,0,0]=2 171 B9R0.5 CCCCOC(=O)CC#N B133488 [0,1,0,0,0,0|1,0,2]=4 172 B9R0.5 CCCCOC(=O)CCC B103463 [0,1,0,0,0,0|1,0,2]=4 173 B9R0.5 CCCCOC(=O)CCC B103464 [0,1,0,0,0,0|1,0,2]=4 174 B9R0.5 CCCCOC(=O)CCS B340486 [0,1,0,0,0,0|1,0,2]=4 175 B9R0.5 CCOC(=O)CCCCBr E156150 [0,1,0,0,0,0|1,0,2]=4 176 B9R0.5 CCOC(=O)CCCCN E183506 [0,1,0,0,0,0|1,0,2]=4 177 B9R0.5 CCOCCC(=O)OCC E108066 [0,1,0,0,0,0|1,0,2]=4 178 B9R0.8 CCCCC(C(=O)OC)Br M111380 [0,1,0,0,0,0|1,0,1]=3 179 B9R0.8 CCCCC(C(=O)OC)N D134849 [0,1,0,0,0,0|1,0,1]=3 180 B9R0.8 COC(=O)C(CCCBr)Br M184869 [0,1,0,0,0,0|2,0,1]=4 181 B9R0.8 COC(=O)C(CCCN)N O116997 [0,1,0,0,0,0|2,0,1]=4 182 B9R0.8 COC(=O)C(CCSC)N M109222 [0,1,0,0,0,0|2,0,1]=4 183 B9R0.8 COC(=O)C(CCSC)N M587493 [0,1,0,0,0,0|2,0,1]=4 184 B9R0.24 C=CC(=O)OCC(CBr)Br D154307 [0,1,0,0,0,0|2,0,0]=3 185 B9R0.34 CCCC(=O)CC(=O)OC M158148 [0,1,0,0,0,0|1,0,2]=4 186 B9R0.46 C=CC(=O)OCCCCO H156908 [0,1,0,0,0,0|1,0,0]=2 187 B9R0.46 C=CC(=O)OCCN=C=O I157700 [0,1,0,0,0,0|2,0,1]=4 188 B9R0.46 CCCCCCC(=O)CC N158994 [0,1,0,0,0,0|0,0,2]=3 189 B9R0.46 CCCCCCC(=O)OC M158054 [0,1,0,0,0,0|1,0,1]=3 190 B9R0.46 CCCCCCC(=O)OC M158149 [0,1,0,0,0,0|1,0,1]=3 191 B9R0.46 CCCCCOC(=O)C=C P588632 [0,1,0,0,0,0|0,0,0]=1 192 B9R0.46 CCCCCOC(=O)CC P137733 [0,1,0,0,0,0|0,0,2]=3 193 B9R0.46 CCOCCOC(=O)C=C E586300 [0,1,0,0,0,0|1,0,0]=2 194 B9R0.46 COC(=O)CCCCCN M138421 [0,1,0,0,0,0|1,0,1]=3 195 B9R0.46 COCCCNC(=O)C=C N477318 [0,1,0,0,0,0|1,0,0]=2 196 B9R0.47 CC(=C)C(=O)NCCCN N129096 [0,1,0,0,0,0|2,0,0]=3 197 B9R0.47 CC(=C)C(=O)OCCOC E102359 [0,1,0,0,0,0|2,0,0]=3 198 B9R0.47 CC(=C)C(=O)OCCOC P109711 [0,1,0,0,0,0|2,0,0]=3 199 B9R0.47 CC(=C)C(=O)OCCOC P432527 [0,1,0,0,0,0|2,0,0]=3 200 B9R0.47 CC(=C)C(=O)OCCOC P432529 [0,1,0,0,0,0|2,0,0]=3 201 B9R0.47 CC(=C)C(=O)OCCOC P432531 [0,1,0,0,0,0|2,0,0]=3 202 B9R0.47 CC(=C)C(=O)OCCSC M468079 [0,1,0,0,0,0|2,0,0]=3 203 B9R0.47 CCCCCC(=O)C(=O)C O589566 [0,1,0,0,0,0|0,0,1]=2 204 B9R0.47 CCCCCC(C(=O)O)N D137428 [0,1,0,0,0,0|2,0,1]=4 205 B9R0.47 CCCCCC(C(=O)O)N S193453 [0,1,0,0,0,0|2,0,1]=4 206 B9R0.47 CCCCCC(C)C(=O)O M102645 [0,1,0,0,0,0|2,0,1]=4 207 B9R0.47 CCCCOC(=O)C(=C)C B110902 [0,1,0,0,0,0|1,0,0]=2 208 B9R0.47 CCCCOC(=O)C(=C)C B110903 [0,1,0,0,0,0|1,0,0]=2 209 B9R0.47 CCCCOC(=O)C(=C)C B110904 [0,1,0,0,0,0|1,0,0]=2 210 B9R0.47 CCCCOC(=O)C(C)C B152857 [0,1,0,0,0,0|1,0,2]=4 211 B9R0.47 CCCCOC(=O)C(C)O B111190 [0,1,0,0,0,0|1,0,2]=4 212 B9R0.47 CCCCOC(=O)C(C)O B303494 [0,1,0,0,0,0|1,0,2]=4 213 B9R1.1 CCC1CCC(=O)CC1 E115523 [0,0,0,1,0,0|0,0,2]=3 214 B9R1.1 CCN1CCC(=O)CC1 E156493 [0,0,0,1,0,0|1,0,2]=4 215 B9R1.1 COC1CCC(=O)CC1 M587028 [0,0,0,1,0,0|1,0,2]=4 216 B9R1.3 CC1CCCC(C1=O)C D154369 [0,0,0,1,0,0|2,0,1]=4 217 B9R1.5 C1CCC(C(=O)CC1)Cl C153943 [0,0,0,1,0,0|1,0,1]=3 218 B9R1.5 C1CCNC(=O)C(C1)N S135609 [0,0,0,1,0,0|2,0,1]=4 219 B9R1.5 C1CCNC(=O)C(C1)N S588137 [0,0,0,1,0,0|2,0,1]=4 220 B9R1.5 CN1CCCCCC1=O N159776 [0,0,0,1,0,0|1,0,1]=3 221 B9R1.7 CCCC1CCC(=O)O1 H111340 [0,0,0,1,0,0|1,0,2]=4 222 B9R1.7 CCCN1CN(C=C1)C M195307 [0,0,0,1,0,0|3,0,0]=4 223 B9R1.11 C1CCN(C1)C(=O)CBr B405233 [0,0,0,1,0,0|2,0,1]=4 224 B9R1.11 C1CCN(C1)C(=O)CCl C153598 [0,0,0,1,0,0|2,0,1]=4 225 B9R1.11 COC(=O)C1CCCC1 M158004 [0,0,0,1,0,0|1,0,1]=3 226 B9R1.11 COC(=O)C1CCCN1 P107637 [0,0,0,1,0,0|2,0,1]=4 227 B9R1.11 COC(=O)C1CCCN1 P109007 [0,0,0,1,0,0|2,0,1]=4 228 B9R1.11 COC(=O)C1CCCO1 M158460 [0,0,0,1,0,0|2,0,1]=4 229 B9R1.11 COC(=O)C1CCNC1 M172004 [0,0,0,1,0,0|2,0,1]=4 230 B9R1.11 COC(=O)C1CCNC1 M177835 [0,0,0,1,0,0|2,0,1]=4 231 B9R1.11 COC(=O)C1CCOC1 M176720 [0,0,0,1,0,0|2,0,1]=4 232 B9R1.49 CN1CCCC(=O)CC1 M587966 [0,0,0,1,0,0|1,0,2]=4 233 B9R1.50 C1CCCC(=O)CCC1 C106984 [0,0,0,1,0,0|0,0,2]=3 234 B9R1.50 C1CCCNC(=O)CC1 O159930 [0,0,0,1,0,0|1,0,1]=3 235 B9R1.80 C=CC(=O)OCC1CO1 G156838 [0,0,0,1,0,0|2,0,0]=3 236 B9R1.89 C1CCCC(=NO)CC1 C153672 [0,0,0,1,0,0|3,0,0]=4 237 B9R1.89 COC1=NCCCCC1 A169044 [0,0,0,1,0,0|2,0,1]=4 238 B9R1.132 CCC1=C(C(=O)CC1)O E102537 [0,0,0,1,0,0|1,0,1]=3 239 B6R0.6 C(CC=O)CC=O G105905 [2,0,0,0,0,0|1,0,1]=4 240 B6R0.6 C(CC=O)CC=O G105906 [2,0,0,0,0,0|1,0,1]=4 241 B6R0.6 C(CC=O)CC=O G105907 [2,0,0,0,0,0|1,0,1]=4 242 B6R0.6 C(CC=O)CC=O G105908 [2,0,0,0,0,0|1,0,1]=4 243 B6R0.6 C(CC=O)CC=O G359127 [2,0,0,0,0,0|1,0,1]=4 244 B6R0.6 C(CC=O)CC=O G598815 [2,0,0,0,0,0|1,0,1]=4 245 B6R0.6 C(CC=O)CC=O G639768 [2,0,0,0,0,0|1,0,1]=4 246 B6R0.6 C=CCCCC#N H157042 [2,0,0,0,0,0|1,0,1]=4 247 B6R0.6 C=CCCCC=C H157269 [2,0,0,0,0,0|0,0,2]=4 248 B6R0.6 C=CCCCCBr B122541 [2,0,0,0,0,0|1,0,0]=3 249 B6R0.6 C=CCCCCCl C115790 [2,0,0,0,0,0|1,0,0]=3 250 B6R0.6 C=CCCCCO H113637 [2,0,0,0,0,0|1,0,0]=3 251 B6R0.6 C=CCOCCO A303300 [2,0,0,0,0,0|2,0,0]=4 252 B6R0.6 C=CCOCCO A303301 [2,0,0,0,0,0|2,0,0]=4 253 B6R0.6 C=CCOCCO E156080 [2,0,0,0,0,0|2,0,0]=4 254 B6R0.6 CC=CCCCO H300983 [2,0,0,0,0,0|1,0,1]=4 255 B6R0.6 CCCC=CC=O H107633 [2,0,0,0,0,0|0,0,2]=4 256 B6R0.6 CCCC=CC=O T425385 [2,0,0,0,0,0|0,0,2]=4 257 B6R0.6 CCCCCC#C H100842 [2,0,0,0,0,0|0,0,2]=4 258 B6R0.6 CCCCCC#N H157040 [2,0,0,0,0,0|1,0,1]=4 259 B6R0.6 CCCCCC=C H110653 [2,0,0,0,0,0|0,0,0]=2 260 B6R0.6 CCCCCC=C H110654 [2,0,0,0,0,0|0,0,0]=2 261 B6R0.6 CCCCCC=C H110655 [2,0,0,0,0,0|0,0,0]=2 262 B6R0.6 CCCCCC=O C109199 [2,0,0,0,0,0|0,0,0]=2 263 B6R0.6 CCCCCC=O C109200 [2,0,0,0,0,0|0,0,0]=2 264 B6R0.6 CCCCCCBr B105244 [2,0,0,0,0,0|1,0,1]=4 265 B6R0.6 CCCCCCBr B471923 [2,0,0,0,0,0|1,0,1]=4 266 B6R0.6 CCCCCCC H108102 [2,0,0,0,0,0|0,0,2]=4 267 B6R0.6 CCCCCCC H108103 [2,0,0,0,0,0|0,0,2]=4 268 B6R0.6 CCCCCCC H108105 [2,0,0,0,0,0|0,0,2]=4 269 B6R0.6 CCCCCCC H108108 [2,0,0,0,0,0|0,0,2]=4 270 B6R0.6 CCCCCCC H108111 [2,0,0,0,0,0|0,0,2]=4 271 B6R0.6 CCCCCCC H108112 [2,0,0,0,0,0|0,0,2]=4 272 B6R0.6 CCCCCCC H118382 [2,0,0,0,0,0|0,0,2]=4 273 B6R0.6 CCCCCCC H119701 [2,0,0,0,0,0|0,0,2]=4 274 B6R0.6 CCCCCCCl C109280 [2,0,0,0,0,0|1,0,1]=4 275 B6R0.6 CCCCCCCl C109281 [2,0,0,0,0,0|1,0,1]=4 276 B6R0.6 CCCCCCI I157578 [2,0,0,0,0,0|1,0,1]=4 277 B6R0.6 CCCCCCN H105333 [2,0,0,0,0,0|1,0,1]=4 278 B6R0.6 CCCCCCN H157035 [2,0,0,0,0,0|1,0,1]=4 279 B6R0.6 CCCCCCN H292813 [2,0,0,0,0,0|1,0,1]=4 280 B6R0.6 CCCCCCN H491868 [2,0,0,0,0,0|1,0,1]=4 281 B6R0.6 CCCCCCO H103420 [2,0,0,0,0,0|0,0,2]=4 282 B6R0.6 CCCCCCO H103421 [2,0,0,0,0,0|0,0,2]=4 283 B6R0.6 CCCCCCO H103422 [2,0,0,0,0,0|0,0,2]=4 284 B6R0.6 CCCCCCO H103423 [2,0,0,0,0,0|0,0,2]=4 285 B6R0.6 CCCCCCO H119678 [2,0,0,0,0,0|0,0,2]=4 286 B6R0.6 CCCCCCS H100786 [2,0,0,0,0,0|0,1,1]=4 287 B6R0.6 CCCCCCS H299109 [2,0,0,0,0,0|0,1,1]=4 288 B6R0.6 CCCCCC[NH3+] H292817 [2,0,0,0,0,0|1,0,1]=4 289 B6R0.6 CCCCCC[NH3+] H492547 [2,0,0,0,0,0|1,0,1]=4 290 B6R0.6 CCCCCC[Si] H357381 [2,0,0,0,0,0|0,1,1]=4 291 B6R0.6 CCCCCNC M124210 [2,0,0,0,0,0|1,0,1]=4 292 B6R0.6 CCCCCSC A151354 [2,0,0,0,0,0|1,0,1]=4 293 B6R0.6 CCCCOC=C B123186 [2,0,0,0,0,0|1,0,0]=3 294 B6R0.6 CCCCOC=C B123187 [2,0,0,0,0,0|1,0,0]=3 295 B6R0.6 CCCCOC=O B109260 [2,0,0,0,0,0|1,0,0]=3 296 B6R0.6 CCCCOC=O B109261 [2,0,0,0,0,0|1,0,0]=3 297 B6R0.6 CCCCON=O B134686 [2,0,0,0,0,0|2,0,0]=4 298 B6R0.6 CCCSCC=C A135608 [2,0,0,0,0,0|1,0,0]=3 299 B6R0.1 C=CC(=O)NCO M108949 [2,0,0,0,0,0|2,0,0]=4 300 B6R0.1 C=CC(=O)NCO N492407 [2,0,0,0,0,0|2,0,0]=4 301 B6R0.1 CCCC(=O)CC H106710 [2,0,0,0,0,0|0,0,2]=4 302 B6R0.1 CCCC(=O)NN B183968 [2,0,0,0,0,0|2,0,0]=4 303 B6R0.1 CCCC(=O)OC M100038 [2,0,0,0,0,0|1,0,1]=4 304 B6R0.1 CCCC(=O)OC M100039 [2,0,0,0,0,0|1,0,1]=4 305 B6R0.1 CCCC(=O)OC M100040 [2,0,0,0,0,0|1,0,1]=4 306 B6R0.1 CCCC(=O)SC M102997 [2,0,0,0,0,0|1,0,1]=4 307 B6R0.1 CCCC(C=C)O H157268 [2,0,0,0,0,0|0,0,2]=4 308 B6R0.1 CCNC(=O)C=C N136947 [2,0,0,0,0,0|1,0,0]=3 309 B6R0.1 CCOC(=O)C=C E112943 [2,0,0,0,0,0|1,0,0]=3 310 B6R0.1 CCOC(=O)C=C E112944 [2,0,0,0,0,0|1,0,0]=3 311 B6R0.1 CCOC(=O)C=C E112945 [2,0,0,0,0,0|1,0,0]=3 312 B6R0.1 CCOC(=O)C=C E465763 [2,0,0,0,0,0|1,0,0]=3 313 B6R0.1 CCOC(=O)C=O E106246 [2,0,0,0,0,0|2,0,0]=4 314 B6R0.4 C(CC(=O)Cl)CBr B102197 [2,0,0,0,0,0|2,0,0]=4 315 B6R0.4 C(CC(=O)Cl)CCl C109449 [2,0,0,0,0,0|2,0,0]=4 316 B6R0.4 C(CC(=O)N)CCl C168978 [2,0,0,0,0,0|2,0,0]=4 317 B6R0.4 C(CC(=O)O)CBr B106907 [2,0,0,0,0,0|2,0,0]=4 318 B6R0.4 C(CC(=O)O)CCl C134513 [2,0,0,0,0,0|2,0,0]=4 319 B6R0.4 C(CC(=O)O)CN A104200 [2,0,0,0,0,0|2,0,0]=4 320 B6R0.4 C(CC(=O)O)CN A293557 [2,0,0,0,0,0|2,0,0]=4 321 B6R0.4 C(CC(=O)O)CN A424756 [2,0,0,0,0,0|2,0,0]=4 322 B6R0.4 C(CC(=O)O)CN A468499 [2,0,0,0,0,0|2,0,0]=4 323 B6R0.4 C(CC(=O)O)CN A472038 [2,0,0,0,0,0|2,0,0]=4 324 B6R0.4 C(CC(=O)O)CN G276591 [2,0,0,0,0,0|2,0,0]=4 325 B6R0.4 CC(=O)CCCBr B345087 [2,0,0,0,0,0|1,0,1]=4 326 B6R0.4 CC(=O)CCCCl C108070 [2,0,0,0,0,0|1,0,1]=4 327 B6R0.4 CC(=O)CCSC M135087 [2,0,0,0,0,0|1,0,1]=4 328 B6R0.4 CCCCC(=N)N D305243 [2,0,0,0,0,0|2,0,0]=4 329 B6R0.4 CCCCC(=O)Br V162931 [2,0,0,0,0,0|1,0,0]=3 330 B6R0.4 CCCCC(=O)C H105743 [2,0,0,0,0,0|0,0,1]=3 331 B6R0.4 CCCCC(=O)C H105744 [2,0,0,0,0,0|0,0,1]=3 332 B6R0.4 CCCCC(=O)C H111491 [2,0,0,0,0,0|0,0,1]=3 333 B6R0.4 CCCCC(=O)C H141140 [2,0,0,0,0,0|0,0,1]=3 334 B6R0.4 CCCCC(=O)Cl V107241 [2,0,0,0,0,0|1,0,0]=3 335 B6R0.4 CCCCC(=O)N V162967 [2,0,0,0,0,0|1,0,0]=3 336 B6R0.4 CCCCC(=O)O V108269 [2,0,0,0,0,0|1,0,0]=3 337 B6R0.4 CCCCC(=O)O V108270 [2,0,0,0,0,0|1,0,0]=3 338 B6R0.4 CCCCC(=O)O V108271 [2,0,0,0,0,0|1,0,0]=3 339 B6R0.4 CCCCC(=O)O V108272 [2,0,0,0,0,0|1,0,0]=3 340 B6R0.4 CCCCC(=O)O V302252 [2,0,0,0,0,0|1,0,0]=3 341 B6R0.4 CCCCC(=O)[O-] S194180 [2,0,0,0,0,0|1,0,0]=3 342 B6R0.4 CCCC[N+](=O)[O-] N300420 [2,0,0,0,0,0|2,0,0]=4 343 B6R0.4 CCCC[Sn](=O)O M107696 [2,0,0,0,0,0|2,0,0]=4 344 B6R0.4 CCCNC(=O)N P589707 [2,0,0,0,0,0|2,0,0]=4 345 B6R0.4 CCCOC(=O)C P103882 [2,0,0,0,0,0|1,0,1]=4 346 B6R0.4 CCCOC(=O)C P103883 [2,0,0,0,0,0|1,0,1]=4 347 B6R0.4 CCCOC(=O)N P194271 [2,0,0,0,0,0|2,0,0]=4 348 B6R0.4 CCCSC(=O)C S161333 [2,0,0,0,0,0|1,0,1]=4 349 B6R0.4 CCNCC(=O)O N159193 [2,0,0,0,0,0|2,0,0]=4 350 B6R0.4 CCOCC(=O)Cl E293992 [2,0,0,0,0,0|2,0,0]=4 351 B6R0.4 CCOCC(=O)O E156174 [2,0,0,0,0,0|2,0,0]=4 352 B6R0.4 CCSCC(=O)O E300419 [2,0,0,0,0,0|2,0,0]=4 353 B6R0.4 CNCCC(=O)O M183299 [2,0,0,0,0,0|2,0,0]=4 354 B6R0.4 COCCC(=O)O M169065 [2,0,0,0,0,0|2,0,0]=4 355 B6R0.4 CSCCC(=O)Cl M158416 [2,0,0,0,0,0|2,0,0]=4 356 B6R0.4 CSCCC(=O)O M158072 [2,0,0,0,0,0|2,0,0]=4 357 B8R0.1 CCCC(C)COC=O M158009 [1,1,0,0,0,0|2,0,0]=4 358 B8R0.1 CCCCC(=O)C=CC O160046 [1,1,0,0,0,0|0,0,2]=4 359 B8R0.4 C=CCCCCCCBr B134900 [1,1,0,0,0,0|0,0,1]=3 360 B8R0.4 C=CCCCCCCO O159908 [1,1,0,0,0,0|0,0,1]=3 361 B8R0.4 C=COCCOCCO D155145 [1,1,0,0,0,0|2,0,0]=4 362 B8R0.4 CCC=CCCCCO C153379 [1,1,0,0,0,0|1,0,1]=4 363 B8R0.4 CCCCCC=CC=O O105936 [1,1,0,0,0,0|0,0,0]=2 364 B8R0.4 CCCCCC=CC=O O303154 [1,1,0,0,0,0|0,0,0]=2 365 B8R0.4 CCCCCC=CCO T161811 [1,1,0,0,0,0|0,0,1]=3 366 B8R0.4 CCCCCCCC=C N109555 [1,1,0,0,0,0|0,0,1]=3 367 B8R0.4 CCCCCCCC=C N110481 [1,1,0,0,0,0|0,0,1]=3 368 B8R0.4 CCCCCCCC=O O106930 [1,1,0,0,0,0|0,0,2]=4 369 B8R0.4 CCCCCCCC=O O106931 [1,1,0,0,0,0|0,0,2]=4 370 B8R0.4 CCCCCCCC=O O345608 [1,1,0,0,0,0|0,0,2]=4 371 B8R0.4 CCCCCCOC=O H113684 [1,1,0,0,0,0|1,0,1]=4 372 B8R0.7 CCCCC=CC(=O)C O100829 [1,1,0,0,0,0|0,0,2]=4 373 B8R0.7 CCCCC=CC(=O)O H305279 [1,1,0,0,0,0|1,0,1]=4 374 B8R0.7 CCCCCCC(=O)C O111186 [1,1,0,0,0,0|0,0,2]=4 375 B8R0.7 CCCCCCC(=O)C O111187 [1,1,0,0,0,0|0,0,2]=4 376 B8R0.7 CCCCCCC(=O)Cl H102418 [1,1,0,0,0,0|1,0,1]=4 377 B8R0.7 CCCCCCC(=O)O H103518 [1,1,0,0,0,0|1,0,1]=4 378 B8R0.7 CCCCCCC(=O)O H103519 [1,1,0,0,0,0|1,0,1]=4 379 B8R0.7 CCCCCCC(=O)O H103520 [1,1,0,0,0,0|1,0,1]=4 380 B8R0.7 CCCCCCC(=O)O H431469 [1,1,0,0,0,0|1,0,1]=4 381 B8R0.7 CCCCCCC(=O)[O-] S161315 [1,1,0,0,0,0|1,0,1]=4 382 B8R0.7 CCCCCOC(=O)C A103450 [1,1,0,0,0,0|1,0,1]=4 383 B8R0.7 CCCCCOC(=O)C A103451 [1,1,0,0,0,0|1,0,1]=4 384 B8R0.7 CCCCCOC(=O)C A103452 [1,1,0,0,0,0|1,0,1]=4 385 B8R0.7 CCCCCOC(=O)Cl A139129 [1,1,0,0,0,0|2,0,0]=4 386 B8R0.7 CCCCCOC(=S)[S-] P160308 [1,1,0,0,0,0|2,0,0]=4 387 B8R0.3 CCCC(C(=O)NO)N B300173 [1,1,0,0,0,0|2,0,0]=4 388 B8R0.3 CCCC(C)C(=O)OC B300583 [1,1,0,0,0,0|1,0,1]=4 389 B8R0.8 CC(=C)C(=O)OCCBr B589157 [1,1,0,0,0,0|2,0,0]=4 390 B8R0.8 CC(=C)C(=O)OCCCl M140401 [1,1,0,0,0,0|2,0,0]=4 391 B8R0.8 CC(=C)C(=O)OCCN A168938 [1,1,0,0,0,0|2,0,0]=4 392 B8R0.8 CC(=C)C(=O)OCCO H103044 [1,1,0,0,0,0|2,0,0]=4 393 B8R0.8 CC(=C)C(=O)OCCO H140643 [1,1,0,0,0,0|2,0,0]=4 394 B8R0.8 CC(=C)C(=O)OCCO H140644 [1,1,0,0,0,0|2,0,0]=4 395 B8R0.8 CC(=C)C(=O)OCCO H303891 [1,1,0,0,0,0|2,0,0]=4 396 B8R0.8 CC(=C)C(=O)OCCO H434293 [1,1,0,0,0,0|2,0,0]=4 397 B8R0.8 CCCCC(=O)C(=O)C H106591 [1,1,0,0,0,0|0,0,1]=3 398 B8R0.8 CCCCC(=O)C(=O)[O-] K471800 [1,1,0,0,0,0|1,0,0]=3 399 B8R0.8 CCCCC(=O)C(C)C M158862 [1,1,0,0,0,0|0,0,2]=4 400 B8R0.8 CCCOC(=O)C(=C)C N338922 [1,1,0,0,0,0|1,0,0]=3 401 B8R0.9 CC(C)CCC(=O)OC M464241 [1,1,0,0,0,0|1,0,1]=4 402 B8R0.9 CC(C)COC(=O)C=C I111441 [1,1,0,0,0,0|1,0,0]=3 403 B8R0.9 CC(COC(=O)C=C)O H100855 [1,1,0,0,0,0|1,0,0]=3 404 B8R0.19 CCC(C)CC(=O)CC M158857 [1,1,0,0,0,0|0,0,2]=4 405 B8R0.19 CCC(CC(=O)OC)O M465384 [1,1,0,0,0,0|1,0,1]=4 406 B8R0.5 CCCC(C)CC(=C)C D155264 [1,1,0,0,0,0|1,0,0]=3 407 B8R0.21 CCCCCS(=O)(=O)[O-] S104953 [1,1,0,0,0,0|2,0,0]=4 408 B8R0.21 CCCCCS(=O)(=O)[O-] S121251 [1,1,0,0,0,0|2,0,0]=4 409 B8R0.21 CCCCCS(=O)(=O)[O-] S124053 [1,1,0,0,0,0|2,0,0]=4 410 B8R0.21 CCCCCS(=O)(=O)[O-] S432349 [1,1,0,0,0,0|2,0,0]=4 411 B8R0.28 CC(=O)CCCC(=O)O O159987 [1,1,0,0,0,0|1,0,1]=4 412 B8R0.28 CC(C)CCCC(=C)C D155274 [1,1,0,0,0,0|1,0,0]=3 413 B8R0.28 CC(C)CCCC(=O)C M158865 [1,1,0,0,0,0|0,0,1]=3 414 B8R0.28 CC(C)CCCC(=O)O M158389 [1,1,0,0,0,0|1,0,0]=3 415 B8R0.28 CC(C)CCOC(=O)C I112107 [1,1,0,0,0,0|1,0,1]=4 416 B8R0.28 CC(C)CCOC(=O)C I112108 [1,1,0,0,0,0|1,0,1]=4 417 B8R0.28 CC(C)CCOC(=O)C I112110 [1,1,0,0,0,0|1,0,1]=4 418 B8R0.28 CC(C)CCOC(=O)C T119705 [1,1,0,0,0,0|1,0,1]=4 419 B8R0.28 CN(C)CCCC(=O)O D589906 [1,1,0,0,0,0|2,0,0]=4 420 B8R0.28 CN(C)CCCC(=O)O W133561 [1,1,0,0,0,0|2,0,0]=4 421 B10R0.60 CC(CCCC(C)(C)O)C=C D334001 [0,2,0,0,0,0|1,0,1]=4 422 B10R0.60 C[N+](C)(C)CCOC(=O)C=C A303741 [0,2,0,0,0,0|2,0,0]=4 423 B10R0.82 CC(=C)C(=O)OCC(CCl)O C153727 [0,2,0,0,0,0|2,0,0]=4 424 B10R0.82 CC(=C)C(=O)OCC(CO)O D304083 [0,2,0,0,0,0|2,0,0]=4 425 B10R0.82 CCC(COC(=O)C(=C)C)O H404570 [0,2,0,0,0,0|1,0,0]=3 426 B10R0.98 CC(=C)C(=O)OCCN(C)C D111129 [0,2,0,0,0,0|2,0,0]=4 427 B10R0.98 CC(=C)C(=O)OCCN(C)C P101212 [0,2,0,0,0,0|2,0,0]=4 428 B10R0.1 CCCCCCC(=O)CCC D154230 [0,2,0,0,0,0|0,0,2]=4 429 B10R0.1 CCCCCCC(=O)OCC E100047 [0,2,0,0,0,0|0,0,2]=4 430 B10R0.1 CCCCCCC(=O)OCC E305454 [0,2,0,0,0,0|0,0,2]=4 431 B10R0.1 CCCCCOC(=O)CCC A111359 [0,2,0,0,0,0|0,0,2]=4 432 B10R0.1 CCOC(=O)CCCCCBr E156144 [0,2,0,0,0,0|0,0,2]=4 433 B10R0.1 CCOC(=O)CCCCCN E193000 [0,2,0,0,0,0|0,0,2]=4 434 B10R0.1 CCOC(=O)CCCCCO E156101 [0,2,0,0,0,0|0,0,2]=4 435 B10R0.1 CCOCCCC(=O)OCC E341712 [0,2,0,0,0,0|0,0,2]=4 436 B10R0.2 CCCC(CC(=O)OCC)O E117524 [0,2,0,0,0,0|0,0,2]=4 437 B10R0.6 CCCCCC(=O)OC(C)C I340872 [0,2,0,0,0,0|0,0,2]=4 438 B10R0.6 CCCCOC(=O)CC(=O)C B152871 [0,2,0,0,0,0|1,0,1]=4 439 B10R0.19 CCCCC(C(=O)OCC)Br E117976 [0,2,0,0,0,0|0,0,2]=4 440 B10R0.83 CCCCCC(C(=O)NC)N P303210 [0,2,0,0,0,0|1,0,1]=4 441 B10R0.83 CCCCOC(=O)C(=C)C#N B304309 [0,2,0,0,0,0|1,0,0]=3 442 B10R0.83 COC(=O)C(CCCCN)N D404620 [0,2,0,0,0,0|1,0,1]=4 443 B10R0.83 COC(=O)C(CCCCN)N L100451 [0,2,0,0,0,0|1,0,1]=4 444 B10R0.83 COC(=O)C(CCCCN)N S134411 [0,2,0,0,0,0|1,0,1]=4 445 B10R0.91 CCCCCC(=O)C=CC=O O274680 [0,2,0,0,0,0|0,0,0]=2 446 B10R0.91 CCCCCC(=O)OCC=C A109767 [0,2,0,0,0,0|0,0,0]=2 447 B10R0.91 CCCCCC(=O)OCCC P136440 [0,2,0,0,0,0|0,0,2]=4 448 B10R0.91 CCCCCC(C=CC=O)O H274882 [0,2,0,0,0,0|0,0,2]=4 449 B10R0.18 CCCCC(=O)CC(=O)OC M158508 [0,2,0,0,0,0|1,0,1]=4 450 B10R0.55 CC(=O)CCCCC(=O)OC M294064 [0,2,0,0,0,0|1,0,1]=4 451 B10R0.55 CC(C)COCNC(=O)C=C N404606 [0,2,0,0,0,0|1,0,0]=3 452 B10R0.55 CN(C)CCCNC(=O)C=C N138771 [0,2,0,0,0,0|1,0,0]=3 453 B10R0.74 CCCCCC#CC(=O)OC M107624 [0,2,0,0,0,0|1,0,1]=4 454 B10R0.74 CCCCCC=CC(=O)OC M158154 [0,2,0,0,0,0|1,0,1]=4 455 B10R0.74 CCCCCCCC(=O)CC D154228 [0,2,0,0,0,0|0,0,2]=4 456 B10R0.74 CCCCCCCC(=O)NN N159466 [0,2,0,0,0,0|2,0,0]=4 457 B10R0.74 CCCCCCCC(=O)NO O123988 [0,2,0,0,0,0|2,0,0]=4 458 B10R0.74 CCCCCCCC(=O)N[O-] S303820 [0,2,0,0,0,0|2,0,0]=4 459 B10R0.74 CCCCCCCC(=O)OC M158053 [0,2,0,0,0,0|1,0,1]=4 460 B10R0.74 CCCCCCCC(=O)OC M158158 [0,2,0,0,0,0|1,0,1]=4 461 B10R0.74 CCCCCCCC(C=C)O D154363 [0,2,0,0,0,0|0,0,2]=4 462 B10R0.74 CCCCCCOC(=O)C=C H156906 [0,2,0,0,0,0|0,0,0]=2 463 B10R0.74 CCCCCCOC(=O)CC H157249 [0,2,0,0,0,0|0,0,2]=4 464 B10R0.74 CCCCOCNC(=O)C=C N159035 [0,2,0,0,0,0|0,0,0]=2 465 B10R0.74 COC(=O)CCCCCCBr M303935 [0,2,0,0,0,0|1,0,1]=4 466 B10R0.74 COC(=O)CCCCCCN M191642 [0,2,0,0,0,0|1,0,1]=4 467 B10R0.75 CC(=C)C(=O)OCCCCO H344287 [0,2,0,0,0,0|1,0,0]=3 468 B10R0.75 CCCCCCC(=O)C(=O)O O300763 [0,2,0,0,0,0|1,0,0]=3 469 B10R0.75 CCOCCOC(=O)C(=C)C E156350 [0,2,0,0,0,0|1,0,0]=3 470 B8R1.2 C1CC(CC=C1)CO C131788 [1,0,0,1,0,0|1,0,1]=4 471 B8R1.2 C1CC(OC=C1)CO D117672 [1,0,0,1,0,0|2,0,0]=4 472 B8R1.2 C1CCC(=CC1)C=O C468613 [1,0,0,1,0,0|1,0,1]=4 473 B8R1.2 C1CCC(=NO)CC1 C109682 [1,0,0,1,0,0|2,0,0]=4 474 B8R1.2 C1CCC(CC1)C=O C109681 [1,0,0,1,0,0|1,0,1]=4 475 B8R1.2 C1CCN(CC1)C=O F106773 [1,0,0,1,0,0|2,0,0]=4 476 B8R1.2 C=CC1CCCCC1 V162939 [1,0,0,1,0,0|0,0,1]=3 477 B8R1.2 COC1CCC=CO1 D189144 [1,0,0,1,0,0|2,0,0]=4 478 B8R1.5 CC1CCCCC1=O M100791 [1,0,0,1,0,0|1,0,1]=4 479 B8R1.8 C=CCC1CCCC1 A332839 [1,0,0,1,0,0|0,0,1]=3 480 B8R1.8 CCCC1=CC=CO1 P160277 [1,0,0,1,0,0|1,0,1]=4 481 B8R1.8 CCCC1=CC=CS1 P167542 [1,0,0,1,0,0|1,0,1]=4 482 B8R1.22 C1CCC(=O)C=CC1 C138031 [1,0,0,1,0,0|1,0,1]=4 483 B8R1.22 C1CCC(=O)NCC1 C111698 [1,0,0,1,0,0|2,0,0]=4 484 B8R1.22 C1CCC(=O)NCC1 C111700 [1,0,0,1,0,0|2,0,0]=4 485 B8R1.22 C1CCC(=O)OCC1 C109521 [1,0,0,1,0,0|2,0,0]=4 486 B8R1.22 C1CCC(=O)OCC1 C398060 [1,0,0,1,0,0|2,0,0]=4 487 B8R1.22 C1CCC(=O)OCC1 P299385 [1,0,0,1,0,0|2,0,0]=4 488 B8R1.22 C1CCC(=O)OCC1 P398622 [1,0,0,1,0,0|2,0,0]=4 489 B8R1.22 C1CCC(=O)OCC1 P478241 [1,0,0,1,0,0|2,0,0]=4 490 B8R1.22 C1CCC(=O)OCC1 P485972 [1,0,0,1,0,0|2,0,0]=4 491 B8R1.22 C1CCC(=O)OCC1 P579406 [1,0,0,1,0,0|2,0,0]=4 492 B8R1.22 C1CCC(=S)NCC1 T140461 [1,0,0,1,0,0|2,0,0]=4 493 B8R1.22 C1CCCC(=O)CC1 C111127 [1,0,0,1,0,0|1,0,1]=4 494 B8R1.22 C=C1OCCCCO1 M194650 [1,0,0,1,0,0|2,0,0]=4 495 B8R1.49 C1CCC=CC=CC1 C153570 [1,0,0,1,0,0|0,0,1]=3 496 B8R1.49 C1CCC=CC=CC1 C333998 [1,0,0,1,0,0|0,0,1]=3 497 B8R1.49 C1CCCC=CCC1 C100852 [1,0,0,1,0,0|0,0,1]=3 498 B8R1.49 C1CCCC=CCC1 C118535 [1,0,0,1,0,0|0,0,1]=3 499 B8R1.49 C1CCCC=CCC1 C129192 [1,0,0,1,0,0|0,0,1]=3 500 B8R1.49 C1CCCC=CCC1 C189232 [1,0,0,1,0,0|0,0,1]=3 501 B8R1.49 C1CCCC=CCC1 C294026 [1,0,0,1,0,0|0,0,1]=3 502 B8R1.3 C1C(=O)C=CC(O1)O H192951 [1,0,0,1,0,0|2,0,0]=4 503 B8R1.3 CC1CCC(=O)CC1 M106719 [1,0,0,1,0,0|0,0,2]=4 504 B8R1.3 CC1CCC(=O)CC1 M113653 [1,0,0,1,0,0|0,0,2]=4 505 B8R1.38 C1CC(C1)C(=O)NN C348580 [1,0,0,1,0,0|2,0,0]=4 506 B8R1.50 CC1=C(C(=O)CC1)Br B472647 [1,0,0,1,0,0|1,0,1]=4 507 B8R1.50 CC1=C(C(=O)CC1)O H139285 [1,0,0,1,0,0|1,0,1]=4 508 B8R1.50 CC1CCC(=O)C1=O M109224 [1,0,0,1,0,0|1,0,0]=3 509 B8R1.50 CC1CCC(=O)N1C D467310 [1,0,0,1,0,0|1,0,1]=4 510 B8R1.4 C1CC(=CC(=O)C1)N A136183 [1,0,0,1,0,0|1,0,1]=4 511 B8R1.4 CC1=CC(=O)CCC1 M104499 [1,0,0,1,0,0|0,0,1]=3 512 B8R1.4 CC1=CC(CCC1)O M168575 [1,0,0,1,0,0|2,0,0]=4 513 B8R1.4 CC1CC(=O)CCO1 M172463 [1,0,0,1,0,0|1,0,1]=4 514 B8R1.4 CC1CCCC(=O)C1 M117710 [1,0,0,1,0,0|0,0,1]=3 515 B8R1.4 CC1CCCC(=O)C1 R472235 [1,0,0,1,0,0|0,0,1]=3 516 B8R1.4 CC1CCCC(=O)O1 D155361 [1,0,0,1,0,0|1,0,0]=3 517 B8R1.4 CC1COCC(=O)N1 S586561 [1,0,0,1,0,0|2,0,0]=4 518 B8R1.7 C1CC(NC1)C(=O)N P105976 [1,0,0,1,0,0|2,0,0]=4 519 B8R1.7 C1CC(NC1)C(=O)N P121653 [1,0,0,1,0,0|2,0,0]=4 520 B8R1.7 C1CC(NC1)C(=O)N S136613 [1,0,0,1,0,0|2,0,0]=4 521 B8R1.7 C1CC(NC1)C(=O)O D423511 [1,0,0,1,0,0|2,0,0]=4 522 B8R1.7 C1CC(NC1)C(=O)O L421729 [1,0,0,1,0,0|2,0,0]=4 523 B8R1.7 C1CC(NC1)C(=O)O P105590 [1,0,0,1,0,0|2,0,0]=4 524 B8R1.7 C1CC(NC1)C(=O)O P108709 [1,0,0,1,0,0|2,0,0]=4 525 B8R1.7 C1CC(NC1)C(=O)O P111001 [1,0,0,1,0,0|2,0,0]=4 526 B8R1.7 C1CC(NC1)C(=O)O P120032 [1,0,0,1,0,0|2,0,0]=4 527 B8R1.7 C1CC(NC1)C(=O)O P140375 [1,0,0,1,0,0|2,0,0]=4 528 B8R1.7 C1CC(NC1)C(=O)O P477766 [1,0,0,1,0,0|2,0,0]=4 529 B8R1.7 C1CC(OC1)C(=O)N S469270 [1,0,0,1,0,0|2,0,0]=4 530 B8R1.7 C1CC(OC1)C(=O)O R160850 [1,0,0,1,0,0|2,0,0]=4 531 B8R1.7 C1CC(OC1)C(=O)O S161338 [1,0,0,1,0,0|2,0,0]=4 532 B8R1.7 C1CC(OC1)C(=O)O T161757 [1,0,0,1,0,0|2,0,0]=4 533 B8R1.7 C1CCC(C1)C(=O)Cl C138861 [1,0,0,1,0,0|1,0,0]=3 534 B8R1.7 C1CCC(C1)C(=O)N C357646 [1,0,0,1,0,0|1,0,0]=3 535 B8R1.7 C1CCC(C1)C(=O)O C104489 [1,0,0,1,0,0|1,0,0]=3 536 B8R1.7 C1CNCC1C(=O)O P176886 [1,0,0,1,0,0|2,0,0]=4 537 B8R1.7 C1CNCC1C(=O)O P196048 [1,0,0,1,0,0|2,0,0]=4 538 B8R1.7 C1CNCC1C(=O)O S134732 [1,0,0,1,0,0|2,0,0]=4 539 B8R1.7 C1CNCC1C(=O)O S137345 [1,0,0,1,0,0|2,0,0]=4 540 B8R1.7 C1COCC1C(=O)O R194491 [1,0,0,1,0,0|2,0,0]=4 541 B8R1.7 C1COCC1C(=O)O T135700 [1,0,0,1,0,0|2,0,0]=4 542 B8R1.7 CC(=O)C1CCCC1 C194132 [1,0,0,1,0,0|0,0,1]=3 543 B8R1.7 CC(=O)N1CCCC1 A151303 [1,0,0,1,0,0|1,0,1]=4 544 B10R1.13 CC(C)C1CCC(=C)C=C1 P337471 [0,1,0,1,0,0|1,0,0]=3 545 B10R1.13 CC(C)C1CCC(=O)CC1 I138967 [0,1,0,1,0,0|0,0,2]=4 546 B10R1.13 CC1=CC=C(CC1)C(C)C A151162 [0,1,0,1,0,0|1,0,1]=4 547 B10R1.13 CC1=CCC(C=C1)C(C)C A151161 [0,1,0,1,0,0|1,0,1]=4 548 B10R1.14 COC(=O)C1CCC(C1)N M175133 [0,1,0,1,0,0|1,0,1]=4 549 B10R1.54 CC(C)CC1CC(=O)NC1 I589652 [0,1,0,1,0,0|1,0,1]=4 550 B10R1.54 CC(C)CC1CC(=O)NC1 S587757 [0,1,0,1,0,0|1,0,1]=4 551 B10R1.19 C=CN1CCCCCC1=O N159777 [0,1,0,1,0,0|0,0,0]=2 552 B10R1.19 C=CN1CCCCCC1=O N299077 [0,1,0,1,0,0|0,0,0]=2 553 B10R1.21 CCCCCC1=CC=CO1 P103007 [0,1,0,1,0,0|0,0,1]=3 554 B10R1.21 CCCCCC1=CC=CS1 P160668 [0,1,0,1,0,0|0,1,0]=3 555 B10R1.21 CCCCCN1C=CN=C1 P330951 [0,1,0,1,0,0|2,0,0]=4 556 B10R1.29 CCCCC1=C(SC=C1)Br B152941 [0,1,0,1,0,0|1,0,1]=4 557 B10R1.78 C1CCCC(=O)NCCC1 O159932 [0,1,0,1,0,0|0,0,2]=4 558 B10R1.130 CCCC1C(=O)NC(=O)N1 P160274 [0,1,0,1,0,0|2,0,0]=4 559 B10R1.130 CCOC1C(=CC(=O)O1)Br B588744 [0,1,0,1,0,0|2,0,0]=4 560 B10R1.15 C1CCC(CC1)C(=O)NN C346597 [0,1,0,1,0,0|2,0,0]=4 561 B10R1.15 C1CCN(CC1)C(=O)CBr B168013 [0,1,0,1,0,0|1,0,1]=4 562 B10R1.15 C=CC(=O)N1CCOCC1 A151729 [0,1,0,1,0,0|1,0,0]=3 563 B10R1.15 C=CC(=O)N1CCOCC1 A299430 [0,1,0,1,0,0|1,0,0]=3 564 B10R1.15 CNC(=O)C1CCNCC1 N587869 [0,1,0,1,0,0|1,0,1]=4 565 B10R1.15 COC(=O)C1CCCCC1 M138876 [0,1,0,1,0,0|1,0,1]=4 566 B10R1.15 COC(=O)C1CCCCN1 H191752 [0,1,0,1,0,0|1,0,1]=4 567 B10R1.15 COC(=O)C1CCCCN1 M169575 [0,1,0,1,0,0|1,0,1]=4 568 B10R1.15 COC(=O)C1CCCCN1 M191753 [0,1,0,1,0,0|1,0,1]=4 569 B10R1.15 COC(=O)C1CCCCN1 M193348 [0,1,0,1,0,0|1,0,1]=4 570 B10R1.15 COC(=O)C1CCCCO1 M590294 [0,1,0,1,0,0|1,0,1]=4 571 B10R1.15 COC(=O)C1CCCNC1 M172997 [0,1,0,1,0,0|1,0,1]=4 572 B10R1.15 COC(=O)C1CCCNC1 M193627 [0,1,0,1,0,0|1,0,1]=4 573 B10R1.15 COC(=O)C1CCNCC1 I135762 [0,1,0,1,0,0|1,0,1]=4 574 B10R1.15 COC(=O)C1CCOCC1 M120066 [0,1,0,1,0,0|1,0,1]=4 575 B10R1.15 COC(=O)N1CCCCC1 M347739 [0,1,0,1,0,0|1,0,1]=4 576 B10R1.411 COC(=O)C1(CCCC1)N M139061 [0,1,0,1,0,0|1,0,1]=4 577 B10R1.1 CCCC1CCC(=O)CC1 P115524 [0,1,0,1,0,0|0,0,2]=4 578 B10R1.1 CCCN1CCC(=O)CC1 P103612 [0,1,0,1,0,0|0,0,2]=4 579 B10R1.2 CCN1CCNC(=O)C1=O E135210 [0,1,0,1,0,0|2,0,0]=4 580 B10R1.16 CCCCC1CCC(=O)O1 O117514 [0,1,0,1,0,0|0,0,2]=4 581 B10R1.205 CC(=C)C(=O)OCC1CO1 G106686 [0,1,0,1,0,0|2,0,0]=4 582 B10R1.205 CC(=C)C(=O)OCC1CO1 G120382 [0,1,0,1,0,0|2,0,0]=4 583 B10R1.205 CC(=C)C(=O)OCC1CO1 G120383 [0,1,0,1,0,0|2,0,0]=4 584 B10R1.205 CC(=C)C(=O)OCC1CO1 G120385 [0,1,0,1,0,0|2,0,0]=4 585 B10R1.205 CC(=C)C(=O)OCC1CO1 G120386 [0,1,0,1,0,0|2,0,0]=4 586 B10R1.205 CC(=C)C(=O)OCC1CO1 G120387 [0,1,0,1,0,0|2,0,0]=4 587 B10R1.205 CC(=C)C(=O)OCC1CO1 G120388 [0,1,0,1,0,0|2,0,0]=4 588 B10R1.205 CC(=C)C(=O)OCC1CO1 G120390 [0,1,0,1,0,0|2,0,0]=4 589 B10R2.178 C1C2C=CC(=O)C(O1)O2 L130870 [0,0,0,2,0,0|2,0,0]=4 590 B10R2.25 C=C1C2CCC(C2)C1=O M158868 [0,0,0,2,0,0|0,0,0]=2