0 B7R0.7 C(NC(=O)NCO)O B152713 [0,0,0,0,0,0|3,1,0]=4 1 B7R0.7 CCCC(=O)CCC H103840 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.7 CCCC(=O)CCC H103841 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.7 CCCC(=O)OC=C V162944 [0,0,0,0,0,0|1,0,2]=3 4 B7R0.7 CCCC(=O)OCC E101116 [0,0,0,0,0,0|1,0,0]=1 5 B7R0.7 CCCC(=O)OCC E101117 [0,0,0,0,0,0|1,0,0]=1 6 B7R0.7 CCCC(=O)OCC E101119 [0,0,0,0,0,0|1,0,0]=1 7 B7R0.7 CCCC(=O)OCCl C153957 [0,0,0,0,0,0|2,0,0]=2 8 B7R0.7 CCCC(C)CCC M113651 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.7 CCCC(CCC)N H156930 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.7 CCCC(CCC)O H156873 [0,0,0,0,0,0|2,0,2]=4 11 B7R0.7 CCCC(CCO)S M102905 [0,0,0,0,0,0|1,2,1]=4 12 B7R0.7 CCCN(C)CCC I169711 [0,0,0,0,0,0|4,0,0]=4 13 B7R0.7 CCNC(=O)CC#N C181647 [0,0,0,0,0,0|2,0,1]=3 14 B7R0.7 CCNC(=O)NCC D108032 [0,0,0,0,0,0|3,0,0]=3 15 B7R0.7 CCNC(=S)NCC D154883 [0,0,0,0,0,0|3,1,0]=4 16 B7R0.7 CCOC(=O)C#CC E106247 [0,0,0,0,0,0|1,0,2]=3 17 B7R0.7 CCOC(=O)C=CC E156252 [0,0,0,0,0,0|1,0,2]=3 18 B7R0.7 CCOC(=O)C=C[O-] E176875 [0,0,0,0,0,0|0,1,2]=3 19 B7R0.7 CCOC(=O)C=[N+]=[N-] E100922 [0,0,0,0,0,0|2,0,1]=3 20 B7R0.7 CCOC(=O)CC#N E105739 [0,0,0,0,0,0|1,0,1]=2 21 B7R0.7 CCOC(=O)CC#N E105740 [0,0,0,0,0,0|1,0,1]=2 22 B7R0.7 CCOC(=O)CC=C E587504 [0,0,0,0,0,0|1,0,1]=2 23 B7R0.7 CCOC(=O)CCBr E106956 [0,0,0,0,0,0|1,0,0]=1 24 B7R0.7 CCOC(=O)CCCl E100652 [0,0,0,0,0,0|1,0,0]=1 25 B7R0.7 CCOC(=O)CCI E185756 [0,0,0,0,0,0|1,0,0]=1 26 B7R0.7 CCOC(=O)CCN A100434 [0,0,0,0,0,0|1,0,0]=1 27 B7R0.7 CCOC(=O)CCO E185621 [0,0,0,0,0,0|0,1,0]=1 28 B7R0.7 CCOC(=O)CCS E119585 [0,0,0,0,0,0|0,0,0]=0 29 B7R0.7 CCOC(=O)CC[CH2-] E465885 [0,0,0,0,0,0|1,0,0]=1 30 B7R0.7 CCOC(=O)CNC E115901 [0,0,0,0,0,0|2,0,0]=2 31 B7R0.7 CCOC(=O)CNN E134414 [0,0,0,0,0,0|2,0,0]=2 32 B7R0.7 CCOC(=O)COC E136304 [0,0,0,0,0,0|2,0,0]=2 33 B7R0.7 CCOC(=O)CSC E156475 [0,0,0,0,0,0|2,0,0]=2 34 B7R0.7 CCOC(=O)C[N+]#[C-] E156037 [0,0,0,0,0,0|2,0,0]=2 35 B7R0.7 CCOC(=O)C[N+]#[C-] E400243 [0,0,0,0,0,0|2,0,0]=2 36 B7R0.7 CCOC(=O)N=C=S E123540 [0,0,0,0,0,0|1,0,2]=3 37 B7R0.7 CCOC(=O)N=C=S E638552 [0,0,0,0,0,0|1,0,2]=3 38 B7R0.7 CCOC(=O)OCC D103040 [0,0,0,0,0,0|2,0,0]=2 39 B7R0.7 CCOC(=O)OCCl C192930 [0,0,0,0,0,0|2,0,0]=2 40 B7R0.7 CCOC(C)OCC A109196 [0,0,0,0,0,0|3,0,1]=4 41 B7R0.7 CCOC(C)OCC A109197 [0,0,0,0,0,0|3,0,1]=4 42 B7R0.7 CCOP(OCC)Cl D123978 [0,0,0,0,0,0|4,0,0]=4 43 B7R0.7 CCOP(OCC)Cl D501093 [0,0,0,0,0,0|4,0,0]=4 44 B7R0.7 CCOS(=O)OCC D122901 [0,0,0,0,0,0|3,0,0]=3 45 B7R0.7 CCO[P+](=O)OCC D109100 [0,0,0,0,0,0|3,0,0]=3 46 B7R0.7 CCO[Si](C)OCC D155451 [0,0,0,0,0,0|3,1,0]=4 47 B6R0.1 C(C(=O)NCO)Cl C169257 [1,0,0,0,0,0|2,1,0]=4 48 B6R0.1 C=COC(=O)CCl V162952 [1,0,0,0,0,0|1,0,2]=4 49 B6R0.1 CC#CC(=O)OC M158860 [1,0,0,0,0,0|1,0,2]=4 50 B6R0.1 CC(CCO)OC M102190 [1,0,0,0,0,0|1,1,1]=4 51 B6R0.1 CC=CC(=O)OC M109486 [1,0,0,0,0,0|1,0,2]=4 52 B6R0.1 CCC(=O)C=CC E404567 [1,0,0,0,0,0|1,0,1]=3 53 B6R0.1 CCC(=O)C=CC H111425 [1,0,0,0,0,0|1,0,1]=3 54 B6R0.1 CCC(=O)OC=C V162937 [1,0,0,0,0,0|0,0,2]=3 55 B6R0.1 CCC(=O)OCC E103457 [1,0,0,0,0,0|0,0,0]=1 56 B6R0.1 CCC(=O)OCC E103458 [1,0,0,0,0,0|0,0,0]=1 57 B6R0.1 CCC(=O)OCC E103459 [1,0,0,0,0,0|0,0,0]=1 58 B6R0.1 CCC(=O)OCC E103460 [1,0,0,0,0,0|0,0,0]=1 59 B6R0.1 CCC(=O)OCC E278958 [1,0,0,0,0,0|0,0,0]=1 60 B6R0.1 CCC(=O)SCC S133123 [1,0,0,0,0,0|0,1,0]=2 61 B6R0.1 CCC(C)OCC S161060 [1,0,0,0,0,0|1,0,1]=3 62 B6R0.1 CCC(CCN)N D155073 [1,0,0,0,0,0|2,0,1]=4 63 B6R0.1 CCCC(=O)CC H106710 [1,0,0,0,0,0|1,0,0]=2 64 B6R0.1 CCCC(=O)NN B183968 [1,0,0,0,0,0|3,0,0]=4 65 B6R0.1 CCCC(=O)OC M100038 [1,0,0,0,0,0|1,0,0]=2 66 B6R0.1 CCCC(=O)OC M100039 [1,0,0,0,0,0|1,0,0]=2 67 B6R0.1 CCCC(=O)OC M100040 [1,0,0,0,0,0|1,0,0]=2 68 B6R0.1 CCCC(=O)SC M102997 [1,0,0,0,0,0|1,1,0]=3 69 B6R0.1 CCCC(C)CC M158521 [1,0,0,0,0,0|2,0,1]=4 70 B6R0.1 CCCC(CC)Br B152444 [1,0,0,0,0,0|2,0,1]=4 71 B6R0.1 CCCC(CC)Cl C153662 [1,0,0,0,0,0|2,0,1]=4 72 B6R0.1 CCCC(CC)O H133955 [1,0,0,0,0,0|1,0,2]=4 73 B6R0.1 CCNC(=O)C=C N136947 [1,0,0,0,0,0|1,0,2]=4 74 B6R0.1 CCOC(=NO)C E124202 [1,0,0,0,0,0|2,1,0]=4 75 B6R0.1 CCOC(=O)C#C E107738 [1,0,0,0,0,0|0,0,2]=3 76 B6R0.1 CCOC(=O)C#C E357742 [1,0,0,0,0,0|0,0,2]=3 77 B6R0.1 CCOC(=O)C#N E106582 [1,0,0,0,0,0|1,0,1]=3 78 B6R0.1 CCOC(=O)C#N E298724 [1,0,0,0,0,0|1,0,1]=3 79 B6R0.1 CCOC(=O)C=C E112943 [1,0,0,0,0,0|0,0,2]=3 80 B6R0.1 CCOC(=O)C=C E112944 [1,0,0,0,0,0|0,0,2]=3 81 B6R0.1 CCOC(=O)C=C E112945 [1,0,0,0,0,0|0,0,2]=3 82 B6R0.1 CCOC(=O)C=C E465763 [1,0,0,0,0,0|0,0,2]=3 83 B6R0.1 CCOC(=O)C=O E106246 [1,0,0,0,0,0|0,1,1]=3 84 B6R0.1 CCOC(=O)CBr E106090 [1,0,0,0,0,0|1,0,0]=2 85 B6R0.1 CCOC(=O)CCl E105166 [1,0,0,0,0,0|1,0,0]=2 86 B6R0.1 CCOC(=O)CCl E105167 [1,0,0,0,0,0|1,0,0]=2 87 B6R0.1 CCOC(=O)CF E107563 [1,0,0,0,0,0|1,0,0]=2 88 B6R0.1 CCOC(=O)CN G105477 [1,0,0,0,0,0|1,0,0]=2 89 B6R0.1 CCOC(=O)CO E101730 [1,0,0,0,0,0|0,1,0]=2 90 B6R0.1 CCOC(=O)CS E109439 [1,0,0,0,0,0|0,0,0]=1 91 B6R0.1 CCOC(=O)NN E133700 [1,0,0,0,0,0|2,0,0]=3 92 B6R0.1 CCOC(=O)OC E110111 [1,0,0,0,0,0|1,0,0]=2 93 B6R0.1 CCOC(=O)OC E433135 [1,0,0,0,0,0|1,0,0]=2 94 B6R0.1 CNC(=O)CC#N C185694 [1,0,0,0,0,0|2,0,1]=4 95 B6R0.1 COC(=O)C=CI E589680 [1,0,0,0,0,0|1,0,2]=4 96 B6R0.1 COC(=O)CC#N M110112 [1,0,0,0,0,0|1,0,1]=3 97 B6R0.1 COC(=O)CC=C M341924 [1,0,0,0,0,0|1,0,1]=3 98 B6R0.1 COC(=O)CCBr M158830 [1,0,0,0,0,0|1,0,0]=2 99 B6R0.1 COC(=O)CCN A104532 [1,0,0,0,0,0|1,0,0]=2 100 B6R0.1 COC(=O)CCO D304149 [1,0,0,0,0,0|0,1,0]=2 101 B6R0.1 COC(=O)CCS M107600 [1,0,0,0,0,0|0,0,0]=1 102 B6R0.1 COC(=O)CSC M120419 [1,0,0,0,0,0|2,0,0]=3 103 B6R0.1 COC(=O)C[N+]#[C-] M157837 [1,0,0,0,0,0|2,0,0]=3 104 B6R0.1 COC(=O)OCCl C347908 [1,0,0,0,0,0|2,0,0]=3 105 B6R0.1 COCC(=O)OC M106398 [1,0,0,0,0,0|2,0,0]=3 106 B6R0.6 C(CCS)CCS P102332 [1,0,0,0,0,0|2,0,1]=4 107 B6R0.6 C(CS)OCCS B152747 [1,0,0,0,0,0|3,0,0]=4 108 B6R0.6 C(CSCCS)S B152744 [1,0,0,0,0,0|3,0,0]=4 109 B6R0.6 CCC#CCCO H157360 [1,0,0,0,0,0|1,1,1]=4 110 B6R0.6 CCC=CCCO C426965 [1,0,0,0,0,0|1,1,0]=3 111 B6R0.6 CCC=CCCO H112690 [1,0,0,0,0,0|1,1,0]=3 112 B6R0.6 CCC=CCCO L106205 [1,0,0,0,0,0|1,1,0]=3 113 B6R0.6 CCCC=CCO C153482 [1,0,0,0,0,0|1,1,1]=4 114 B6R0.6 CCCC=CCO H102077 [1,0,0,0,0,0|1,1,1]=4 115 B6R0.6 CCCCCCBr B105244 [1,0,0,0,0,0|2,0,1]=4 116 B6R0.6 CCCCCCBr B471923 [1,0,0,0,0,0|2,0,1]=4 117 B6R0.6 CCCCCCC H108102 [1,0,0,0,0,0|2,0,1]=4 118 B6R0.6 CCCCCCC H108103 [1,0,0,0,0,0|2,0,1]=4 119 B6R0.6 CCCCCCC H108105 [1,0,0,0,0,0|2,0,1]=4 120 B6R0.6 CCCCCCC H108108 [1,0,0,0,0,0|2,0,1]=4 121 B6R0.6 CCCCCCC H108111 [1,0,0,0,0,0|2,0,1]=4 122 B6R0.6 CCCCCCC H108112 [1,0,0,0,0,0|2,0,1]=4 123 B6R0.6 CCCCCCC H118382 [1,0,0,0,0,0|2,0,1]=4 124 B6R0.6 CCCCCCC H119701 [1,0,0,0,0,0|2,0,1]=4 125 B6R0.6 CCCCCCCl C109280 [1,0,0,0,0,0|2,0,1]=4 126 B6R0.6 CCCCCCCl C109281 [1,0,0,0,0,0|2,0,1]=4 127 B6R0.6 CCCCCCI I157578 [1,0,0,0,0,0|2,0,1]=4 128 B6R0.6 CCCCCCN H105333 [1,0,0,0,0,0|2,0,1]=4 129 B6R0.6 CCCCCCN H157035 [1,0,0,0,0,0|2,0,1]=4 130 B6R0.6 CCCCCCN H292813 [1,0,0,0,0,0|2,0,1]=4 131 B6R0.6 CCCCCCN H491868 [1,0,0,0,0,0|2,0,1]=4 132 B6R0.6 CCCCCCO H103420 [1,0,0,0,0,0|1,1,1]=4 133 B6R0.6 CCCCCCO H103421 [1,0,0,0,0,0|1,1,1]=4 134 B6R0.6 CCCCCCO H103422 [1,0,0,0,0,0|1,1,1]=4 135 B6R0.6 CCCCCCO H103423 [1,0,0,0,0,0|1,1,1]=4 136 B6R0.6 CCCCCCO H119678 [1,0,0,0,0,0|1,1,1]=4 137 B6R0.6 CCCCCCS H100786 [1,0,0,0,0,0|1,0,1]=3 138 B6R0.6 CCCCCCS H299109 [1,0,0,0,0,0|1,0,1]=3 139 B6R0.6 CCCCCC[NH3+] H292817 [1,0,0,0,0,0|2,0,1]=4 140 B6R0.6 CCCCCC[NH3+] H492547 [1,0,0,0,0,0|2,0,1]=4 141 B6R0.6 CCCCCC[Si] H357381 [1,0,0,0,0,0|2,0,1]=4 142 B6R0.6 CCCCNCC N158928 [1,0,0,0,0,0|2,0,1]=4 143 B6R0.6 CCCCSCC B152507 [1,0,0,0,0,0|1,1,1]=4 144 B6R0.6 CCCNCCC D100329 [1,0,0,0,0,0|3,0,0]=4 145 B6R0.6 CCCNCCC D100330 [1,0,0,0,0,0|3,0,0]=4 146 B6R0.6 CCCNCCC D154684 [1,0,0,0,0,0|3,0,0]=4 147 B6R0.6 CCCNCCC D404364 [1,0,0,0,0,0|3,0,0]=4 148 B6R0.6 CCCNCCN N336391 [1,0,0,0,0,0|3,0,0]=4 149 B6R0.6 CCCOCCC P160596 [1,0,0,0,0,0|3,0,0]=4 150 B6R0.6 CCCOCCCl C137234 [1,0,0,0,0,0|3,0,0]=4 151 B6R0.6 CCCOCCN P160362 [1,0,0,0,0,0|3,0,0]=4 152 B6R0.6 CCCOCCO P107659 [1,0,0,0,0,0|2,1,0]=4 153 B6R0.6 CCCOCCO P299319 [1,0,0,0,0,0|2,1,0]=4 154 B6R0.6 CCCSCCC D102909 [1,0,0,0,0,0|3,0,0]=4 155 B6R0.6 CCNCCCO E300231 [1,0,0,0,0,0|1,1,1]=4 156 B6R0.6 CCOC=CC#N E156406 [1,0,0,0,0,0|1,0,2]=4 157 B6R0.6 CCOCCC#N E132079 [1,0,0,0,0,0|1,0,2]=4 158 B6R0.6 CCOCCCN E156297 [1,0,0,0,0,0|1,0,1]=3 159 B6R0.6 CCOCCCO E108059 [1,0,0,0,0,0|0,1,1]=3 160 B6R0.6 CCOCCOC E331012 [1,0,0,0,0,0|2,0,1]=4 161 B6R0.6 CCOCOCC D109106 [1,0,0,0,0,0|2,0,1]=4 162 B6R0.6 CCOCOCC D139939 [1,0,0,0,0,0|2,0,1]=4 163 B6R0.6 CCO[Sn]OCC T282972 [1,0,0,0,0,0|3,0,0]=4 164 B6R0.6 CCSCCCO E300079 [1,0,0,0,0,0|0,2,1]=4 165 B8R0.1 C=CCOC(=O)CC#N A151102 [0,1,0,0,0,0|1,0,2]=4 166 B8R0.1 CCC#CC(=O)OCC E189158 [0,1,0,0,0,0|1,0,1]=3 167 B8R0.1 CCCC(=O)OCCC P100043 [0,1,0,0,0,0|1,0,0]=2 168 B8R0.1 CCCC(=O)OCCC P100044 [0,1,0,0,0,0|1,0,0]=2 169 B8R0.1 CCCCC(=O)C=CC O160046 [0,1,0,0,0,0|2,0,1]=4 170 B8R0.1 CCCCC(=O)CCC O160045 [0,1,0,0,0,0|2,0,0]=3 171 B8R0.1 CCCCC(=O)OCC E105293 [0,1,0,0,0,0|1,0,0]=2 172 B8R0.1 CCCCC(=O)OCC E105294 [0,1,0,0,0,0|1,0,0]=2 173 B8R0.1 CCCCC(=O)OCC E118465 [0,1,0,0,0,0|1,0,0]=2 174 B8R0.1 CCCOC(=O)CC#N P160480 [0,1,0,0,0,0|1,0,1]=3 175 B8R0.1 CCOC(=O)C=CC=O E189100 [0,1,0,0,0,0|0,1,2]=4 176 B8R0.1 CCOC(=O)C=CCBr E113754 [0,1,0,0,0,0|1,0,1]=3 177 B8R0.1 CCOC(=O)C=CCBr E589630 [0,1,0,0,0,0|1,0,1]=3 178 B8R0.1 CCOC(=O)CCC=C E156151 [0,1,0,0,0,0|1,0,0]=2 179 B8R0.1 CCOC(=O)CCCBr E106908 [0,1,0,0,0,0|1,0,0]=2 180 B8R0.1 CCOC(=O)CCCBr E639064 [0,1,0,0,0,0|1,0,0]=2 181 B8R0.1 CCOC(=O)CCCCl E135072 [0,1,0,0,0,0|1,0,0]=2 182 B8R0.1 CCOC(=O)CCCCl E493598 [0,1,0,0,0,0|1,0,0]=2 183 B8R0.1 CCOC(=O)CCCN E122453 [0,1,0,0,0,0|1,0,0]=2 184 B8R0.1 CCOC(=O)CCC[CH2-] E465916 [0,1,0,0,0,0|1,0,0]=2 185 B8R0.1 CCOC(=O)CCSC E107629 [0,1,0,0,0,0|0,0,0]=1 186 B8R0.1 CCOC(=O)CN=C=O E156271 [0,1,0,0,0,0|0,1,1]=3 187 B8R0.1 CCOC(=O)CN=C=S E101903 [0,1,0,0,0,0|0,0,2]=3 188 B8R0.1 CCOC(=O)CN=[N+]=[N-] E189179 [0,1,0,0,0,0|2,0,0]=3 189 B8R0.1 CCOC(=O)CNC=O N159320 [0,1,0,0,0,0|0,1,1]=3 190 B8R0.1 CCOC(=O)OCC=C A151039 [0,1,0,0,0,0|1,0,1]=3 191 B8R0.1 CCOCC(=O)OCC E195171 [0,1,0,0,0,0|1,0,0]=2 192 B8R0.3 CCC(C(=O)OCC)Br E110204 [0,1,0,0,0,0|1,0,0]=2 193 B8R0.3 CCC(C(=O)OCC)N E185185 [0,1,0,0,0,0|1,0,0]=2 194 B8R0.3 CCC(C(=O)OCC)O E156260 [0,1,0,0,0,0|1,0,0]=2 195 B8R0.3 CCC(C)C(=O)C=CC W136042 [0,1,0,0,0,0|2,0,1]=4 196 B8R0.3 CCC(C)C(=O)OCC E117676 [0,1,0,0,0,0|1,0,0]=2 197 B8R0.3 CCCC(=O)C(C)CC M158867 [0,1,0,0,0,0|2,0,0]=3 198 B8R0.3 CCCC(=O)N(C)OC N404707 [0,1,0,0,0,0|3,0,0]=4 199 B8R0.3 CCOC(=O)C(=C)C#N E304457 [0,1,0,0,0,0|1,0,2]=4 200 B8R0.3 CCOC(=O)C(=C)CBr E124201 [0,1,0,0,0,0|1,0,1]=3 201 B8R0.3 CCOC(=O)C(=C)CO E156133 [0,1,0,0,0,0|0,1,1]=3 202 B8R0.3 CCOC(=O)C(=CC)C E117529 [0,1,0,0,0,0|1,0,2]=4 203 B8R0.3 CCOC(=O)C(=NO)Cl E156474 [0,1,0,0,0,0|1,1,1]=4 204 B8R0.3 CCOC(=O)C(=NO)N E165647 [0,1,0,0,0,0|1,1,1]=4 205 B8R0.3 CCOC(=O)C(=O)CBr E111180 [0,1,0,0,0,0|1,0,1]=3 206 B8R0.3 CCOC(=O)C(C)C#N E124214 [0,1,0,0,0,0|1,0,1]=3 207 B8R0.3 CCOC(=O)C(C=O)Cl E183753 [0,1,0,0,0,0|0,1,1]=3 208 B8R0.3 CCOC(=O)C(CBr)Br E102371 [0,1,0,0,0,0|1,0,0]=2 209 B8R0.3 CCOC(=O)C(CCl)O E357552 [0,1,0,0,0,0|1,0,0]=2 210 B8R0.3 CCOC(=O)C(CO)N D188981 [0,1,0,0,0,0|0,1,0]=2 211 B8R0.3 CCOC(=O)C(CO)N S105478 [0,1,0,0,0,0|0,1,0]=2 212 B8R0.3 CCOC(=O)C(CS)N C100827 [0,1,0,0,0,0|0,0,0]=1 213 B8R0.3 CCOC(=O)N(C)N=O N135222 [0,1,0,0,0,0|2,1,0]=4 214 B8R0.5 CC(C)OC(=O)CC#N I111831 [0,1,0,0,0,0|1,0,1]=3 215 B8R0.5 CC(C)OC(=O)CCS M119588 [0,1,0,0,0,0|0,0,0]=1 216 B8R0.5 CC(C)OC(=O)OCCl C122340 [0,1,0,0,0,0|2,0,0]=3 217 B8R0.5 CCCC(=O)CC(C)C M158863 [0,1,0,0,0,0|2,0,0]=3 218 B8R0.5 CCCC(=O)OC(C)C I157502 [0,1,0,0,0,0|1,0,0]=2 219 B8R0.5 CCOC(=O)C=C(C)C E156154 [0,1,0,0,0,0|1,0,2]=4 220 B8R0.5 CCOC(=O)C=C(C)N E101139 [0,1,0,0,0,0|1,0,2]=4 221 B8R0.5 CCOC(=O)C=C(C)N E136853 [0,1,0,0,0,0|1,0,2]=4 222 B8R0.5 CCOC(=O)CC(=N)N A185319 [0,1,0,0,0,0|1,0,1]=3 223 B8R0.5 CCOC(=O)CC(=O)C E103937 [0,1,0,0,0,0|0,1,1]=3 224 B8R0.5 CCOC(=O)CC(=O)C E103939 [0,1,0,0,0,0|0,1,1]=3 225 B8R0.5 CCOC(=O)CC(=O)C E474098 [0,1,0,0,0,0|0,1,1]=3 226 B8R0.5 CCOC(=O)CC(=O)Cl E122639 [0,1,0,0,0,0|0,1,1]=3 227 B8R0.5 CCOC(=O)CC(=O)N E194938 [0,1,0,0,0,0|0,1,1]=3 228 B8R0.5 CCOC(=O)CC(=O)O M158864 [0,1,0,0,0,0|0,1,1]=3 229 B8R0.5 CCOC(=O)CC(=O)[O-] M158631 [0,1,0,0,0,0|0,1,1]=3 230 B8R0.5 CCOC(=O)CC(=S)N E190709 [0,1,0,0,0,0|0,0,2]=3 231 B8R0.5 CCOC(=O)CC(C)C E108583 [0,1,0,0,0,0|1,0,0]=2 232 B8R0.5 CCOC(=O)CC(C)C E108585 [0,1,0,0,0,0|1,0,0]=2 233 B8R0.5 CCOC(=O)CC(C)N E170814 [0,1,0,0,0,0|1,0,0]=2 234 B8R0.5 CCOC(=O)CC(C)O E101452 [0,1,0,0,0,0|0,1,0]=2 235 B8R0.5 CCOC(=O)CC(C)O E118391 [0,1,0,0,0,0|0,1,0]=2 236 B8R0.5 CCOC(=O)CC(C)O E156467 [0,1,0,0,0,0|0,1,0]=2 237 B8R0.5 CCOC(=O)CN(C)C E136550 [0,1,0,0,0,0|2,0,0]=3 238 B8R0.5 CCOC(=O)C[N+](=O)[O-] E110257 [0,1,0,0,0,0|1,1,0]=3 239 B8R0.5 CCOC(=O)C[S+](C)C E170751 [0,1,0,0,0,0|2,0,0]=3 240 B8R0.5 CCOC(=O)NC(=O)N E113456 [0,1,0,0,0,0|1,1,1]=4 241 B8R0.5 CCOC(=O)OC(C)Cl C102108 [0,1,0,0,0,0|2,0,0]=3 242 B8R0.22 CCCN(CCC)C=O D124598 [0,1,0,0,0,0|3,0,0]=4 243 B8R0.22 CCCN(CCC)N=O N114392 [0,1,0,0,0,0|3,0,0]=4 244 B8R0.22 CCCN(CCC)N=O N118829 [0,1,0,0,0,0|3,0,0]=4 245 B8R0.30 CCCS(=O)(=O)CCC D154782 [0,1,0,0,0,0|3,0,0]=4 246 B8R0.30 CCOP(=O)(N)OCC D155691 [0,1,0,0,0,0|3,0,0]=4 247 B8R0.30 CCOP(=O)(O)OCC D194124 [0,1,0,0,0,0|3,0,0]=4 248 B8R0.30 CCOP(=O)([O-])OCC W196197 [0,1,0,0,0,0|3,0,0]=4 249 B8R0.30 CCOS(=O)(=O)OCC D110630 [0,1,0,0,0,0|3,0,0]=4 250 B8R0.30 CCOS(=O)(=O)OCC D110632 [0,1,0,0,0,0|3,0,0]=4 251 B8R1.4 C1CC(=O)CC(=O)C1 C106972 [0,0,0,1,0,0|1,1,1]=4 252 B8R1.4 C1CC(=O)OC(=O)C1 G111073 [0,0,0,1,0,0|2,0,1]=4 253 B8R1.4 C1CC(=O)OC(=O)C1 G111074 [0,0,0,1,0,0|2,0,1]=4 254 B8R1.4 C1CNC(=O)CC1=O P129071 [0,0,0,1,0,0|1,1,1]=4 255 B8R1.4 C1CNC(=O)CC1N A174477 [0,0,0,1,0,0|2,0,0]=3 256 B8R1.4 C1CNC(=O)CC1O H193522 [0,0,0,1,0,0|1,1,0]=3 257 B8R1.4 CC1=CC(=O)CCC1 M104499 [0,0,0,1,0,0|2,0,1]=4 258 B8R1.4 CC1CC(=O)CCO1 M172463 [0,0,0,1,0,0|1,1,0]=3 259 B8R1.4 CC1CCCC(=O)C1 M117710 [0,0,0,1,0,0|2,0,0]=3 260 B8R1.4 CC1CCCC(=O)C1 R472235 [0,0,0,1,0,0|2,0,0]=3 261 B8R1.4 CC1CCCC(=O)O1 D155361 [0,0,0,1,0,0|1,0,0]=2 262 B8R1.4 CC1CCOC(O1)C D155542 [0,0,0,1,0,0|1,1,1]=4 263 B8R1.4 CC1CCOS(=O)O1 M120341 [0,0,0,1,0,0|3,0,0]=4 264 B8R1.4 CC1COCC(=O)N1 S586561 [0,0,0,1,0,0|3,0,0]=4 265 B8R1.8 C1COC(O1)CCBr B153144 [0,0,0,1,0,0|1,0,2]=4 266 B8R1.8 C1COC(O1)CCN A151047 [0,0,0,1,0,0|1,0,2]=4 267 B8R1.8 CCCC1=NCCN1 P302987 [0,0,0,1,0,0|3,0,0]=4 268 B8R1.8 CCCC1=NCCO1 P160311 [0,0,0,1,0,0|2,0,0]=3 269 B8R1.11 C1CC(C(=O)C1)C#N C183485 [0,0,0,1,0,0|2,0,1]=4 270 B8R1.11 CCN1CCCC1=O E101635 [0,0,0,1,0,0|2,0,0]=3 271 B8R1.18 CC1CC(=O)OC1=O M102626 [0,0,0,1,0,0|2,0,1]=4 272 B8R1.22 C1CC(=O)CCNC1 H121983 [0,0,0,1,0,0|2,0,0]=3 273 B8R1.22 C1CCC(=O)C=CC1 C138031 [0,0,0,1,0,0|2,0,1]=4 274 B8R1.22 C1CCC(=O)NCC1 C111698 [0,0,0,1,0,0|2,0,0]=3 275 B8R1.22 C1CCC(=O)NCC1 C111700 [0,0,0,1,0,0|2,0,0]=3 276 B8R1.22 C1CCC(=O)OCC1 C109521 [0,0,0,1,0,0|1,0,0]=2 277 B8R1.22 C1CCC(=O)OCC1 C398060 [0,0,0,1,0,0|1,0,0]=2 278 B8R1.22 C1CCC(=O)OCC1 P299385 [0,0,0,1,0,0|1,0,0]=2 279 B8R1.22 C1CCC(=O)OCC1 P398622 [0,0,0,1,0,0|1,0,0]=2 280 B8R1.22 C1CCC(=O)OCC1 P478241 [0,0,0,1,0,0|1,0,0]=2 281 B8R1.22 C1CCC(=O)OCC1 P485972 [0,0,0,1,0,0|1,0,0]=2 282 B8R1.22 C1CCC(=O)OCC1 P579406 [0,0,0,1,0,0|1,0,0]=2 283 B8R1.22 C1CCC(=S)NCC1 T140461 [0,0,0,1,0,0|2,1,0]=4 284 B8R1.22 C1CCCC(=O)CC1 C111127 [0,0,0,1,0,0|2,0,0]=3 285 B8R1.22 C1COCCNC1=O O189427 [0,0,0,1,0,0|1,1,0]=3 286 B8R1.22 C=C1OCCCCO1 M194650 [0,0,0,1,0,0|3,0,0]=4 287 B8R1.37 C1CC1C(=O)CC#N C586516 [0,0,0,1,0,0|2,0,1]=4 288 B8R1.37 CCOC(=O)C1CC1 E156138 [0,0,0,1,0,0|1,0,0]=2 289 B8R1.37 CCOC(=O)C1CO1 E138878 [0,0,0,1,0,0|0,1,0]=2 290 B5R0.1 C#CCC(=O)O B168856 [2,0,0,0,0,0|1,0,1]=4 291 B5R0.1 C(C#N)C(=O)O C105698 [2,0,0,0,0,0|1,0,1]=4 292 B5R0.1 C(C(=O)O)ON C109697 [2,0,0,0,0,0|2,0,0]=4 293 B5R0.1 C(CBr)C(=O)Cl B135557 [2,0,0,0,0,0|2,0,0]=4 294 B5R0.1 C(CBr)C(=O)N B152335 [2,0,0,0,0,0|2,0,0]=4 295 B5R0.1 C(CBr)C(=O)O B106081 [2,0,0,0,0,0|1,0,0]=3 296 B5R0.1 C(CCl)C(=O)Cl C109466 [2,0,0,0,0,0|2,0,0]=4 297 B5R0.1 C(CCl)C(=O)N C171099 [2,0,0,0,0,0|2,0,0]=4 298 B5R0.1 C(CCl)C(=O)O C106515 [2,0,0,0,0,0|1,0,0]=3 299 B5R0.1 C(CI)C(=O)O I157542 [2,0,0,0,0,0|1,0,0]=3 300 B5R0.1 C(CN)C(=O)N B135870 [2,0,0,0,0,0|2,0,0]=4 301 B5R0.1 C(CN)C(=O)O A105703 [2,0,0,0,0,0|1,0,0]=3 302 B5R0.1 C(CN)C(=O)O A137901 [2,0,0,0,0,0|1,0,0]=3 303 B5R0.1 C(CN)C(=O)O A494514 [2,0,0,0,0,0|1,0,0]=3 304 B5R0.1 C(CO)C(=O)O H136635 [2,0,0,0,0,0|0,1,0]=3 305 B5R0.1 C(CS(=O)O)N H303371 [2,0,0,0,0,0|2,0,0]=4 306 B5R0.1 C(CS)C(=O)O M103035 [2,0,0,0,0,0|0,0,0]=2 307 B5R0.1 C(CS)C(=O)O M103036 [2,0,0,0,0,0|0,0,0]=2 308 B5R0.1 C(CS)C(=O)O M590994 [2,0,0,0,0,0|0,0,0]=2 309 B5R0.1 C(OC(=O)Cl)Cl C153890 [2,0,0,0,0,0|2,0,0]=4 310 B5R0.1 C=CCC(=O)O B152769 [2,0,0,0,0,0|1,0,1]=4 311 B5R0.1 C=CCC(=O)O B152771 [2,0,0,0,0,0|1,0,1]=4 312 B5R0.1 CC(=C)CCO M158231 [2,0,0,0,0,0|1,1,0]=4 313 B5R0.1 CC(=O)CCO H106330 [2,0,0,0,0,0|0,1,0]=3 314 B5R0.1 CC(=O)COC M158844 [2,0,0,0,0,0|2,0,0]=4 315 B5R0.1 CC(=O)NCO A151630 [2,0,0,0,0,0|1,1,0]=4 316 B5R0.1 CC(=O)OC=C P101483 [2,0,0,0,0,0|0,0,2]=4 317 B5R0.1 CC(=O)OC=C P101485 [2,0,0,0,0,0|0,0,2]=4 318 B5R0.1 CC(=O)OC=C P101486 [2,0,0,0,0,0|0,0,2]=4 319 B5R0.1 CC(=O)OC=C P301634 [2,0,0,0,0,0|0,0,2]=4 320 B5R0.1 CC(=O)OC=C P304876 [2,0,0,0,0,0|0,0,2]=4 321 B5R0.1 CC(=O)OC=C P304877 [2,0,0,0,0,0|0,0,2]=4 322 B5R0.1 CC(=O)OC=C P304879 [2,0,0,0,0,0|0,0,2]=4 323 B5R0.1 CC(=O)OC=C P304880 [2,0,0,0,0,0|0,0,2]=4 324 B5R0.1 CC(=O)OC=C P304881 [2,0,0,0,0,0|0,0,2]=4 325 B5R0.1 CC(=O)OC=C P432376 [2,0,0,0,0,0|0,0,2]=4 326 B5R0.1 CC(=O)OC=C P489072 [2,0,0,0,0,0|0,0,2]=4 327 B5R0.1 CC(=O)OC=C V104470 [2,0,0,0,0,0|0,0,2]=4 328 B5R0.1 CC(=O)OC=C V104471 [2,0,0,0,0,0|0,0,2]=4 329 B5R0.1 CC(=O)OC=C V104472 [2,0,0,0,0,0|0,0,2]=4 330 B5R0.1 CC(=O)OCBr B122544 [2,0,0,0,0,0|1,0,0]=3 331 B5R0.1 CC(=O)OCCl C194261 [2,0,0,0,0,0|1,0,0]=3 332 B5R0.1 CC(C)CCS M101609 [2,0,0,0,0,0|1,0,1]=4 333 B5R0.1 CC=CC(=O)C P139100 [2,0,0,0,0,0|1,0,1]=4 334 B5R0.1 CCC=C(C)C M158233 [2,0,0,0,0,0|2,0,0]=4 335 B5R0.1 CCCC(=C)C M158211 [2,0,0,0,0,0|2,0,0]=4 336 B5R0.1 CCCC(=O)C P103780 [2,0,0,0,0,0|1,0,0]=3 337 B5R0.1 CCCC(=O)C P103781 [2,0,0,0,0,0|1,0,0]=3 338 B5R0.1 CCCC(=O)C P103782 [2,0,0,0,0,0|1,0,0]=3 339 B5R0.1 CCCC(=O)C P103783 [2,0,0,0,0,0|1,0,0]=3 340 B5R0.1 CCCC(=O)Cl B108666 [2,0,0,0,0,0|2,0,0]=4 341 B5R0.1 CCCC(=O)N B152329 [2,0,0,0,0,0|2,0,0]=4 342 B5R0.1 CCCC(=O)O B110438 [2,0,0,0,0,0|1,0,0]=3 343 B5R0.1 CCCC(=O)O B110439 [2,0,0,0,0,0|1,0,0]=3 344 B5R0.1 CCCC(=O)O B110440 [2,0,0,0,0,0|1,0,0]=3 345 B5R0.1 CCCC(=O)O B110442 [2,0,0,0,0,0|1,0,0]=3 346 B5R0.1 CCCC(=O)O B274612 [2,0,0,0,0,0|1,0,0]=3 347 B5R0.1 CCCC(=O)O B431361 [2,0,0,0,0,0|1,0,0]=3 348 B5R0.1 CCCC(=O)[O-] S102954 [2,0,0,0,0,0|1,0,1]=4 349 B5R0.1 CCCC(=O)[O-] S102956 [2,0,0,0,0,0|1,0,1]=4 350 B5R0.1 CCCC(=O)[O-] S346178 [2,0,0,0,0,0|1,0,1]=4 351 B5R0.1 CCCC(=O)[O-] S421873 [2,0,0,0,0,0|1,0,1]=4 352 B5R0.1 CCNC(=O)C I135660 [2,0,0,0,0,0|1,0,0]=3 353 B5R0.1 CCNC(=O)N E105944 [2,0,0,0,0,0|2,0,0]=4 354 B5R0.1 CCOC(=N)C E132730 [2,0,0,0,0,0|1,0,0]=3 355 B5R0.1 CCOC(=N)N O183619 [2,0,0,0,0,0|2,0,0]=4 356 B5R0.1 CCOC(=O)C E116131 [2,0,0,0,0,0|0,0,0]=2 357 B5R0.1 CCOC(=O)C E116132 [2,0,0,0,0,0|0,0,0]=2 358 B5R0.1 CCOC(=O)C E116133 [2,0,0,0,0,0|0,0,0]=2 359 B5R0.1 CCOC(=O)C E116134 [2,0,0,0,0,0|0,0,0]=2 360 B5R0.1 CCOC(=O)C E116135 [2,0,0,0,0,0|0,0,0]=2 361 B5R0.1 CCOC(=O)C E116136 [2,0,0,0,0,0|0,0,0]=2 362 B5R0.1 CCOC(=O)C E116137 [2,0,0,0,0,0|0,0,0]=2 363 B5R0.1 CCOC(=O)C E116138 [2,0,0,0,0,0|0,0,0]=2 364 B5R0.1 CCOC(=O)C E116139 [2,0,0,0,0,0|0,0,0]=2 365 B5R0.1 CCOC(=O)C E116141 [2,0,0,0,0,0|0,0,0]=2 366 B5R0.1 CCOC(=O)C E116142 [2,0,0,0,0,0|0,0,0]=2 367 B5R0.1 CCOC(=O)C E119698 [2,0,0,0,0,0|0,0,0]=2 368 B5R0.1 CCOC(=O)C E141165 [2,0,0,0,0,0|0,0,0]=2 369 B5R0.1 CCOC(=O)C E302266 [2,0,0,0,0,0|0,0,0]=2 370 B5R0.1 CCOC(=O)C E432070 [2,0,0,0,0,0|0,0,0]=2 371 B5R0.1 CCOC(=O)N C266075 [2,0,0,0,0,0|1,0,0]=3 372 B5R0.1 CCOC(=O)N E424443 [2,0,0,0,0,0|1,0,0]=3 373 B5R0.1 CCOC(=O)N U108629 [2,0,0,0,0,0|1,0,0]=3 374 B5R0.1 CCOC(=O)N U299635 [2,0,0,0,0,0|1,0,0]=3 375 B5R0.1 CCOC(=S)[S-] P110999 [2,0,0,0,0,0|0,1,1]=4 376 B5R0.1 CCOC(=S)[S-] P111000 [2,0,0,0,0,0|0,1,1]=4 377 B5R0.1 CCOC(=S)[S-] S161075 [2,0,0,0,0,0|0,1,1]=4 378 B5R0.1 CCOC(=S)[S-] S298709 [2,0,0,0,0,0|0,1,1]=4 379 B5R0.1 CCO[Si](=O)O E302202 [2,0,0,0,0,0|0,2,0]=4 380 B5R0.1 CCO[Si](C)C D191031 [2,0,0,0,0,0|1,1,0]=4 381 B5R0.1 CCSC(=O)C E107950 [2,0,0,0,0,0|0,1,0]=3 382 B5R0.1 CCSC(=S)C E338928 [2,0,0,0,0,0|0,2,0]=4 383 B5R0.1 CNCC(=O)O S102891 [2,0,0,0,0,0|2,0,0]=4 384 B5R0.1 CNCC(=O)O S113893 [2,0,0,0,0,0|2,0,0]=4 385 B5R0.1 CNCC(=O)O S420541 [2,0,0,0,0,0|2,0,0]=4 386 B5R0.1 COCC(=O)O M158057 [2,0,0,0,0,0|2,0,0]=4 387 B5R0.1 CSCC(=O)O M168970 [2,0,0,0,0,0|2,0,0]=4 388 B5R0.2 C(CCS)CO M338696 [2,0,0,0,0,0|1,0,1]=4 389 B5R0.2 C(CCS)CS B152757 [2,0,0,0,0,0|1,0,1]=4 390 B5R0.2 C(CCS)CS B419814 [2,0,0,0,0,0|1,0,1]=4 391 B5R0.2 C(CCl)OCCl C140412 [2,0,0,0,0,0|2,0,0]=4 392 B5R0.2 CCC#CCC H157357 [2,0,0,0,0,0|1,0,1]=4 393 B5R0.2 CCC=CCC C153487 [2,0,0,0,0,0|1,0,0]=3 394 B5R0.2 CCC=CCC H157267 [2,0,0,0,0,0|1,0,0]=3 395 B5R0.2 CCC=CCC T162372 [2,0,0,0,0,0|1,0,0]=3 396 B5R0.2 CCC=CCO C153493 [2,0,0,0,0,0|0,1,1]=4 397 B5R0.2 CCC=CCO T299958 [2,0,0,0,0,0|0,1,1]=4 398 B5R0.2 CCCC=CC C153486 [2,0,0,0,0,0|1,0,1]=4 399 B5R0.2 CCCC=CC H157262 [2,0,0,0,0,0|1,0,1]=4 400 B5R0.2 CCCC=CC T162371 [2,0,0,0,0,0|1,0,1]=4 401 B5R0.2 CCCCCBr B104782 [2,0,0,0,0,0|1,0,1]=4 402 B5R0.2 CCCCCBr B305762 [2,0,0,0,0,0|1,0,1]=4 403 B5R0.2 CCCCCC H100107 [2,0,0,0,0,0|1,0,1]=4 404 B5R0.2 CCCCCC H109653 [2,0,0,0,0,0|1,0,1]=4 405 B5R0.2 CCCCCC H109654 [2,0,0,0,0,0|1,0,1]=4 406 B5R0.2 CCCCCC H109656 [2,0,0,0,0,0|1,0,1]=4 407 B5R0.2 CCCCCC H109659 [2,0,0,0,0,0|1,0,1]=4 408 B5R0.2 CCCCCC H119662 [2,0,0,0,0,0|1,0,1]=4 409 B5R0.2 CCCCCC H121283 [2,0,0,0,0,0|1,0,1]=4 410 B5R0.2 CCCCCC H140380 [2,0,0,0,0,0|1,0,1]=4 411 B5R0.2 CCCCCC H298923 [2,0,0,0,0,0|1,0,1]=4 412 B5R0.2 CCCCCC N431441 [2,0,0,0,0,0|1,0,1]=4 413 B5R0.2 CCCCCCl C109473 [2,0,0,0,0,0|1,0,1]=4 414 B5R0.2 CCCCCCl C109474 [2,0,0,0,0,0|1,0,1]=4 415 B5R0.2 CCCCCF F171115 [2,0,0,0,0,0|1,0,1]=4 416 B5R0.2 CCCCCI I104798 [2,0,0,0,0,0|1,0,1]=4 417 B5R0.2 CCCCCN A105343 [2,0,0,0,0,0|1,0,1]=4 418 B5R0.2 CCCCCN P292685 [2,0,0,0,0,0|1,0,1]=4 419 B5R0.2 CCCCCN P292697 [2,0,0,0,0,0|1,0,1]=4 420 B5R0.2 CCCCCN P292701 [2,0,0,0,0,0|1,0,1]=4 421 B5R0.2 CCCCCN P494144 [2,0,0,0,0,0|1,0,1]=4 422 B5R0.2 CCCCCO N350217 [2,0,0,0,0,0|0,1,1]=4 423 B5R0.2 CCCCCO P108125 [2,0,0,0,0,0|0,1,1]=4 424 B5R0.2 CCCCCO P108126 [2,0,0,0,0,0|0,1,1]=4 425 B5R0.2 CCCCCO P108127 [2,0,0,0,0,0|0,1,1]=4 426 B5R0.2 CCCCCO P108128 [2,0,0,0,0,0|0,1,1]=4 427 B5R0.2 CCCCCO P108129 [2,0,0,0,0,0|0,1,1]=4 428 B5R0.2 CCCCCO P108130 [2,0,0,0,0,0|0,1,1]=4 429 B5R0.2 CCCCCS A100028 [2,0,0,0,0,0|0,0,1]=3 430 B5R0.2 CCCCOC B152821 [2,0,0,0,0,0|1,0,1]=4 431 B5R0.2 CCCNCC N159096 [2,0,0,0,0,0|1,0,1]=4 432 B5R0.2 CCCOCC E156162 [2,0,0,0,0,0|0,0,1]=3 433 B5R0.2 CCCSCC E134963 [2,0,0,0,0,0|0,1,1]=4 434 B5R0.2 CCNCCN N138023 [2,0,0,0,0,0|2,0,0]=4 435 B5R0.2 CCNCCO E156112 [2,0,0,0,0,0|1,1,0]=4 436 B5R0.2 CCNCCO E301665 [2,0,0,0,0,0|1,1,0]=4 437 B5R0.2 CCNNCC D487275 [2,0,0,0,0,0|2,0,0]=4 438 B5R0.2 CCOC=CC E122346 [2,0,0,0,0,0|0,0,1]=3 439 B5R0.2 CCOCC=C A151091 [2,0,0,0,0,0|1,0,1]=4 440 B5R0.2 CCOCCBr B152837 [2,0,0,0,0,0|1,0,0]=3 441 B5R0.2 CCOCCCl C153264 [2,0,0,0,0,0|1,0,0]=3 442 B5R0.2 CCOCCN E156296 [2,0,0,0,0,0|1,0,0]=3 443 B5R0.2 CCOCCO E110821 [2,0,0,0,0,0|0,1,0]=3 444 B5R0.2 CCOCCO E110822 [2,0,0,0,0,0|0,1,0]=3 445 B5R0.2 CCOCCO E118463 [2,0,0,0,0,0|0,1,0]=3 446 B5R0.2 CCSCCCl C102885 [2,0,0,0,0,0|1,1,0]=4 447 B5R0.2 CCSCCN E170901 [2,0,0,0,0,0|1,1,0]=4 448 B5R0.2 CCSCCN E300178 [2,0,0,0,0,0|1,1,0]=4 449 B5R0.2 CCSCCO E156428 [2,0,0,0,0,0|0,2,0]=4 450 B5R0.2 CCSSCC D140646 [2,0,0,0,0,0|1,1,0]=4 451 B5R0.2 CC[Se][Se]CC D155798 [2,0,0,0,0,0|1,1,0]=4 452 B5R0.2 COCCCBr B136284 [2,0,0,0,0,0|1,0,1]=4 453 B5R0.2 COCCCCl C108061 [2,0,0,0,0,0|1,0,1]=4 454 B5R0.2 COCCCN M134485 [2,0,0,0,0,0|1,0,1]=4 455 B5R0.2 COCCCN M587821 [2,0,0,0,0,0|1,0,1]=4 456 B5R0.2 COCCCO M107732 [2,0,0,0,0,0|0,1,1]=4 457 B5R0.3 C(C(=O)CBr)Br D139292 [2,0,0,0,0,0|2,0,0]=4 458 B5R0.3 CCC(=C)CC E156179 [2,0,0,0,0,0|1,0,0]=3 459 B5R0.3 CCC(=CC)C T162381 [2,0,0,0,0,0|1,0,1]=4 460 B5R0.3 CCC(=O)CC P103791 [2,0,0,0,0,0|0,0,0]=2 461 B5R0.3 CCC(=O)CC P103792 [2,0,0,0,0,0|0,0,0]=2 462 B5R0.3 CCC(=O)CC P103794 [2,0,0,0,0,0|0,0,0]=2 463 B5R0.3 CCC(=O)CO H193640 [2,0,0,0,0,0|0,1,0]=3 464 B5R0.3 CCC(=O)NC N159394 [2,0,0,0,0,0|1,0,0]=3 465 B5R0.3 CCC(=O)NN P342062 [2,0,0,0,0,0|2,0,0]=4 466 B5R0.3 CCC(=O)OC M110420 [2,0,0,0,0,0|0,0,0]=2 467 B5R0.3 CCC(=O)OC M110421 [2,0,0,0,0,0|0,0,0]=2 468 B5R0.3 CCC(=O)OC M110422 [2,0,0,0,0,0|0,0,0]=2 469 B5R0.3 CCC(=O)OC M491732 [2,0,0,0,0,0|0,0,0]=2 470 B5R0.3 CCC(=O)SC S404755 [2,0,0,0,0,0|0,1,0]=3 471 B5R0.3 CCC(C)CC M109051 [2,0,0,0,0,0|1,0,1]=4 472 B5R0.3 CCC(C)CC M109052 [2,0,0,0,0,0|1,0,1]=4 473 B5R0.3 CCC(C)CS M103069 [2,0,0,0,0,0|1,0,1]=4 474 B5R0.3 CCC(C)OC S161061 [2,0,0,0,0,0|1,0,1]=4 475 B5R0.3 CCC(CC)Br B106965 [2,0,0,0,0,0|1,0,1]=4 476 B5R0.3 CCC(CC)N A133949 [2,0,0,0,0,0|1,0,1]=4 477 B5R0.3 CCC(CC)O P109359 [2,0,0,0,0,0|0,0,2]=4 478 B5R0.3 CCC(CS)S B152748 [2,0,0,0,0,0|0,1,1]=4 479 B5R0.3 CCN(C)CC N159249 [2,0,0,0,0,0|2,0,0]=4 480 B5R0.3 CCN(CC)O D109383 [2,0,0,0,0,0|1,0,1]=4 481 B5R0.3 CCN(CC)O N432573 [2,0,0,0,0,0|1,0,1]=4 482 B5R0.3 CCS(=O)CC E589941 [2,0,0,0,0,0|1,0,0]=3 483 B5R0.3 CC[P+](=O)CC D332476 [2,0,0,0,0,0|1,0,0]=3 484 B5R0.3 CC[Si](C)CC D337339 [2,0,0,0,0,0|1,1,0]=4 485 B5R0.3 CNC(=O)CBr B588815 [2,0,0,0,0,0|2,0,0]=4 486 B5R0.3 CNC(=O)CCl C124467 [2,0,0,0,0,0|2,0,0]=4 487 B5R0.3 CNC(=O)CN A182951 [2,0,0,0,0,0|2,0,0]=4 488 B5R0.3 CNC(=O)CS M124593 [2,0,0,0,0,0|1,0,0]=3 489 B5R0.3 CNC(=O)NC D104702 [2,0,0,0,0,0|2,0,0]=4 490 B5R0.3 COC(=O)C#C M106792 [2,0,0,0,0,0|0,0,2]=4 491 B5R0.3 COC(=O)C=C M100029 [2,0,0,0,0,0|0,0,2]=4 492 B5R0.3 COC(=O)C=C M100030 [2,0,0,0,0,0|0,0,2]=4 493 B5R0.3 COC(=O)C=C M100032 [2,0,0,0,0,0|0,0,2]=4 494 B5R0.3 COC(=O)C=C M100033 [2,0,0,0,0,0|0,0,2]=4 495 B5R0.3 COC(=O)CBr M106900 [2,0,0,0,0,0|1,0,0]=3 496 B5R0.3 COC(=O)CCl M104120 [2,0,0,0,0,0|1,0,0]=3 497 B5R0.3 COC(=O)CCl M104121 [2,0,0,0,0,0|1,0,0]=3 498 B5R0.3 COC(=O)CCl M305846 [2,0,0,0,0,0|1,0,0]=3 499 B5R0.3 COC(=O)CN G105475 [2,0,0,0,0,0|1,0,0]=3 500 B5R0.3 COC(=O)CO M101718 [2,0,0,0,0,0|0,1,0]=3 501 B5R0.3 COC(=O)CS M103140 [2,0,0,0,0,0|0,0,0]=2 502 B5R0.3 COC(=O)NN M106002 [2,0,0,0,0,0|2,0,0]=4 503 B5R0.3 COC(=O)OC D110623 [2,0,0,0,0,0|1,0,0]=3 504 B5R0.3 COC(=O)OC D110625 [2,0,0,0,0,0|1,0,0]=3 505 B5R0.3 COC(=O)OC D119695 [2,0,0,0,0,0|1,0,0]=3 506 B5R0.3 COC(=O)OC D294884 [2,0,0,0,0,0|1,0,0]=3 507 B5R0.3 COC(=O)OC D433121 [2,0,0,0,0,0|1,0,0]=3 508 B5R0.3 COC(=O)OC D433122 [2,0,0,0,0,0|1,0,0]=3 509 B5R0.3 COC(=O)OC D433123 [2,0,0,0,0,0|1,0,0]=3 510 B5R0.3 COS(=O)OC D106795 [2,0,0,0,0,0|2,0,0]=4 511 B5R0.3 CO[P+](=O)OC D304802 [2,0,0,0,0,0|2,0,0]=4 512 B7R0.2 CC(=O)CC(=O)OC M108598 [1,1,0,0,0,0|0,1,1]=4 513 B7R0.2 CC(=O)CC(=O)OC M108599 [1,1,0,0,0,0|0,1,1]=4 514 B7R0.2 CC(=O)CC(=O)OC M108601 [1,1,0,0,0,0|0,1,1]=4 515 B7R0.2 CC(C)CC(=O)OC M157988 [1,1,0,0,0,0|1,0,0]=3 516 B7R0.2 CC(C)NC(=O)CBr B194928 [1,1,0,0,0,0|2,0,0]=4 517 B7R0.2 CC(C)OC(=O)C=C I589892 [1,1,0,0,0,0|0,0,2]=4 518 B7R0.2 CC(C)OC(=O)CCl I157694 [1,1,0,0,0,0|1,0,0]=3 519 B7R0.2 CC(CC(=O)OC)N R190811 [1,1,0,0,0,0|1,0,0]=3 520 B7R0.2 CC(CC(=O)OC)N S587134 [1,1,0,0,0,0|1,0,0]=3 521 B7R0.2 CC(CC(=O)OC)O H124084 [1,1,0,0,0,0|0,1,0]=3 522 B7R0.2 CC(CC(=O)OC)O H124101 [1,1,0,0,0,0|0,1,0]=3 523 B7R0.2 CCC(=O)CC(=O)C H192611 [1,1,0,0,0,0|0,1,1]=4 524 B7R0.2 CCC(=O)CC(C)C E156458 [1,1,0,0,0,0|1,0,0]=3 525 B7R0.2 CCC(=O)OC(C)C I157496 [1,1,0,0,0,0|0,0,0]=2 526 B7R0.2 CN(C)CC(=O)OC N304465 [1,1,0,0,0,0|2,0,0]=4 527 B7R0.2 COC(=O)CC(=O)Cl M106674 [1,1,0,0,0,0|0,1,1]=4 528 B7R0.2 COC(=O)CC(=O)Cl M489935 [1,1,0,0,0,0|0,1,1]=4 529 B7R0.2 COC(=O)CC(=O)Cl M615708 [1,1,0,0,0,0|0,1,1]=4 530 B7R0.2 COC(=O)CC(=O)O M132669 [1,1,0,0,0,0|0,1,1]=4 531 B7R0.2 COC(=O)CC(=O)[O-] H135114 [1,1,0,0,0,0|0,1,1]=4 532 B7R0.2 COC(=O)C[N+](=O)[O-] M158866 [1,1,0,0,0,0|1,1,0]=4 533 B7R0.3 C=CC(=O)OCCCl C477272 [1,1,0,0,0,0|0,0,2]=4 534 B7R0.3 C=CC(=O)OCCO H104535 [1,1,0,0,0,0|0,0,2]=4 535 B7R0.3 C=CCOC(=O)CCl A113257 [1,1,0,0,0,0|1,0,1]=4 536 B7R0.3 CCC(=O)NCCO N158966 [1,1,0,0,0,0|0,1,0]=3 537 B7R0.3 CCCCC(=C)CC E156236 [1,1,0,0,0,0|2,0,0]=4 538 B7R0.3 CCCCC(=O)CC H103766 [1,1,0,0,0,0|1,0,0]=3 539 B7R0.3 CCCCC(=O)OC M108213 [1,1,0,0,0,0|1,0,0]=3 540 B7R0.3 CCCCC(=O)OC M108214 [1,1,0,0,0,0|1,0,0]=3 541 B7R0.3 CCCOC(=O)CC P111531 [1,1,0,0,0,0|0,0,0]=2 542 B7R0.3 CCCOC(=O)CC P111532 [1,1,0,0,0,0|0,0,0]=2 543 B7R0.3 COC(=O)C=CCBr M137638 [1,1,0,0,0,0|1,0,1]=4 544 B7R0.3 COC(=O)C=CCBr M158855 [1,1,0,0,0,0|1,0,1]=4 545 B7R0.3 COC(=O)CCC#N M135512 [1,1,0,0,0,0|1,0,0]=3 546 B7R0.3 COC(=O)CCC#N M293045 [1,1,0,0,0,0|1,0,0]=3 547 B7R0.3 COC(=O)CCC=C M338666 [1,1,0,0,0,0|1,0,0]=3 548 B7R0.3 COC(=O)CCCBr M158832 [1,1,0,0,0,0|1,0,0]=3 549 B7R0.3 COC(=O)CCCBr M492178 [1,1,0,0,0,0|1,0,0]=3 550 B7R0.3 COC(=O)CCCCl C108118 [1,1,0,0,0,0|1,0,0]=3 551 B7R0.3 COC(=O)CCCI M167258 [1,1,0,0,0,0|1,0,0]=3 552 B7R0.3 COC(=O)CCCN M124081 [1,1,0,0,0,0|1,0,0]=3 553 B7R0.3 COC(=O)CCSC M302466 [1,1,0,0,0,0|0,0,0]=2 554 B7R0.3 COC(=O)CN=[N+]=[N-] M168057 [1,1,0,0,0,0|2,0,0]=4 555 B7R0.3 COC(=O)OCC=C A136273 [1,1,0,0,0,0|1,0,1]=4 556 B7R0.3 COCCC(=O)OC M134953 [1,1,0,0,0,0|0,1,0]=3 557 B7R0.3 COCOC(=C)CCl C153297 [1,1,0,0,0,0|2,0,0]=4 558 B7R0.5 CCCC(=O)C(=O)C H106696 [1,1,0,0,0,0|1,0,1]=4 559 B7R0.5 CCOC(=O)C(=C)C E103001 [1,1,0,0,0,0|0,0,1]=3 560 B7R0.5 CCOC(=O)C(=C)C E103002 [1,1,0,0,0,0|0,0,1]=3 561 B7R0.5 CCOC(=O)C(=C)C E492609 [1,1,0,0,0,0|0,0,1]=3 562 B7R0.5 CCOC(=O)C(=O)C E113332 [1,1,0,0,0,0|0,0,1]=3 563 B7R0.5 CCOC(=O)C(=O)Cl E109372 [1,1,0,0,0,0|0,1,1]=4 564 B7R0.5 CCOC(=O)C(=O)N E156399 [1,1,0,0,0,0|0,1,1]=4 565 B7R0.5 CCOC(=O)C(=O)[O-] E156500 [1,1,0,0,0,0|0,1,1]=4 566 B7R0.5 CCOC(=O)C(=S)N E101723 [1,1,0,0,0,0|0,0,2]=4 567 B7R0.5 CCOC(=O)C(Br)Br E331036 [1,1,0,0,0,0|1,0,0]=3 568 B7R0.5 CCOC(=O)C(C)Br E106089 [1,1,0,0,0,0|0,0,0]=2 569 B7R0.5 CCOC(=O)C(C)Br E400066 [1,1,0,0,0,0|0,0,0]=2 570 B7R0.5 CCOC(=O)C(C)C E156123 [1,1,0,0,0,0|0,0,0]=2 571 B7R0.5 CCOC(=O)C(C)Cl E100647 [1,1,0,0,0,0|0,0,0]=2 572 B7R0.5 CCOC(=O)C(C)F E135615 [1,1,0,0,0,0|0,0,0]=2 573 B7R0.5 CCOC(=O)C(C)I E156364 [1,1,0,0,0,0|0,0,0]=2 574 B7R0.5 CCOC(=O)C(C)N A109010 [1,1,0,0,0,0|0,0,0]=2 575 B7R0.5 CCOC(=O)C(C)N A117183 [1,1,0,0,0,0|0,0,0]=2 576 B7R0.5 CCOC(=O)C(C)N D304158 [1,1,0,0,0,0|0,0,0]=2 577 B7R0.5 CCOC(=O)C(C)O E104551 [1,1,0,0,0,0|0,0,0]=2 578 B7R0.5 CCOC(=O)C(C)O E104553 [1,1,0,0,0,0|0,0,0]=2 579 B7R0.5 CCOC(=O)C(C)O E104554 [1,1,0,0,0,0|0,0,0]=2 580 B7R0.5 CCOC(=O)C(C)O E108228 [1,1,0,0,0,0|0,0,0]=2 581 B7R0.5 CCOC(=O)C(C)O E108230 [1,1,0,0,0,0|0,0,0]=2 582 B7R0.5 CCOC(=O)C(C)O E465744 [1,1,0,0,0,0|0,0,0]=2 583 B7R0.5 CCOC(=O)C(C)S E156189 [1,1,0,0,0,0|0,0,0]=2 584 B7R0.5 CCOC(=O)C(Cl)Cl E193802 [1,1,0,0,0,0|1,0,0]=3 585 B7R0.5 CCOC(=O)C(F)Br E102105 [1,1,0,0,0,0|1,0,0]=3 586 B7R0.5 CCOC(=O)C(F)Cl E138797 [1,1,0,0,0,0|1,0,0]=3 587 B7R0.5 CCOC(=O)C(F)F E101733 [1,1,0,0,0,0|1,0,0]=3 588 B7R0.5 CCOC(=O)C(F)F E616466 [1,1,0,0,0,0|1,0,0]=3 589 B7R0.5 CCOC(=O)C(F)I E331038 [1,1,0,0,0,0|1,0,0]=3 590 B7R0.10 CC(C(=O)OC)NC S587983 [1,1,0,0,0,0|2,0,0]=4 591 B7R0.10 CC(CBr)C(=O)OC M158847 [1,1,0,0,0,0|1,0,0]=3 592 B7R0.10 CC(CBr)C(=O)OC M409449 [1,1,0,0,0,0|1,0,0]=3 593 B7R0.10 CC(CO)C(=O)OC M589106 [1,1,0,0,0,0|0,1,0]=3 594 B7R0.10 CC(CO)C(=O)OC R136025 [1,1,0,0,0,0|0,1,0]=3 595 B7R0.10 CC(CO)C(=O)OC S133601 [1,1,0,0,0,0|0,1,0]=3 596 B7R0.10 CCC(=O)C(=O)CC H102539 [1,1,0,0,0,0|1,0,0]=3 597 B7R0.10 CCC(=O)N(C)OC N404710 [1,1,0,0,0,0|2,0,0]=4 598 B7R0.10 CCC(C(=O)CC)O P121219 [1,1,0,0,0,0|1,0,0]=3 599 B7R0.10 CCC(C(=O)OC)Br M110203 [1,1,0,0,0,0|1,0,0]=3 600 B7R0.10 CCC(C(=O)OC)N D134538 [1,1,0,0,0,0|1,0,0]=3 601 B7R0.10 CCC(C(=O)OC)N S304011 [1,1,0,0,0,0|1,0,0]=3 602 B7R0.10 CCC(C(=O)OC)O M588620 [1,1,0,0,0,0|1,0,0]=3 603 B7R0.10 CCC(C(=O)OC)O M590030 [1,1,0,0,0,0|1,0,0]=3 604 B7R0.10 CCC(C(=O)OC)O R590029 [1,1,0,0,0,0|1,0,0]=3 605 B7R0.10 CCC(C)C(=O)OC M157989 [1,1,0,0,0,0|1,0,0]=3 606 B7R0.10 COC(=O)C(=C)CBr M138825 [1,1,0,0,0,0|1,0,1]=4 607 B7R0.10 COC(=O)C(=C)CO M167537 [1,1,0,0,0,0|0,1,1]=4 608 B7R0.10 COC(=O)C(=O)CBr M572938 [1,1,0,0,0,0|1,0,1]=4 609 B7R0.10 COC(=O)C(CBr)Br M167887 [1,1,0,0,0,0|1,0,0]=3 610 B7R0.10 COC(=O)C(CCl)Cl M121841 [1,1,0,0,0,0|1,0,0]=3 611 B7R0.10 COC(=O)C(CCl)N M588771 [1,1,0,0,0,0|1,0,0]=3 612 B7R0.10 COC(=O)C(CCl)N S134256 [1,1,0,0,0,0|1,0,0]=3 613 B7R0.10 COC(=O)C(CO)N S101064 [1,1,0,0,0,0|0,1,0]=3 614 B7R0.10 COC(=O)C(CO)N S109008 [1,1,0,0,0,0|0,1,0]=3 615 B7R0.10 COC(=O)C(CO)N S117181 [1,1,0,0,0,0|0,1,0]=3 616 B7R0.10 COC(=O)C(CO)O R587787 [1,1,0,0,0,0|0,1,0]=3 617 B7R0.10 COC(=O)C(CO)O S178884 [1,1,0,0,0,0|0,1,0]=3 618 B7R0.10 COC(=O)C(CS)N C105474 [1,1,0,0,0,0|0,0,0]=2 619 B7R0.10 COC(=O)C(CS)N S133993 [1,1,0,0,0,0|0,0,0]=2 620 B7R0.11 CCC(C)(C)OCC T162410 [1,1,0,0,0,0|1,0,1]=4 621 B7R0.12 CCN(CCO)N=O N158964 [1,1,0,0,0,0|1,1,0]=4 622 B7R0.1 C(CCCS)CCN A487010 [1,1,0,0,0,0|1,0,1]=4 623 B7R0.1 C(CCCS)CCO M123042 [1,1,0,0,0,0|1,0,1]=4 624 B7R0.1 C(CCCS)CCO M299208 [1,1,0,0,0,0|1,0,1]=4 625 B7R0.1 C(CCCS)CCS H106695 [1,1,0,0,0,0|1,0,1]=4 626 B7R0.1 C(CN)CNCCS A134805 [1,1,0,0,0,0|2,0,0]=4 627 B7R0.1 C(CO)C=CCCO H341806 [1,1,0,0,0,0|1,1,0]=4 628 B7R0.1 CCC=CCCC=O C154040 [1,1,0,0,0,0|1,1,0]=4 629 B7R0.1 CCC=CCCCO C153484 [1,1,0,0,0,0|1,1,0]=4 630 B7R0.1 CCCC=CCCC C153585 [1,1,0,0,0,0|2,0,0]=4 631 B7R0.1 CCCC=CCCC T161815 [1,1,0,0,0,0|2,0,0]=4 632 B7R0.1 CCCC=CCCO C332847 [1,1,0,0,0,0|1,1,0]=4 633 B7R0.1 CCCCC=CCC C153584 [1,1,0,0,0,0|2,0,0]=4 634 B7R0.1 CCCCC=CCC T161817 [1,1,0,0,0,0|2,0,0]=4 635 B7R0.1 CCCCCCCS H102322 [1,1,0,0,0,0|1,0,1]=4 636 B7R0.1 CCCCNCCS B469395 [1,1,0,0,0,0|1,0,1]=4 637 B7R0.1 CCCCOCCCl B152831 [1,1,0,0,0,0|1,0,1]=4 638 B7R0.1 CCCCOCCN B357161 [1,1,0,0,0,0|1,0,1]=4 639 B7R0.1 CCCCOCCO E110823 [1,1,0,0,0,0|1,0,1]=4 640 B7R0.1 CCCCOCCO E110827 [1,1,0,0,0,0|1,0,1]=4 641 B7R0.1 CCOCCOCC E103986 [1,1,0,0,0,0|1,0,1]=4 642 B7R0.1 CCOCCOCC E103987 [1,1,0,0,0,0|1,0,1]=4 643 B7R0.1 CCOCCOCC E103989 [1,1,0,0,0,0|1,0,1]=4 644 B7R0.4 CC(C)OCCCN A133357 [1,1,0,0,0,0|1,0,1]=4 645 B9R0.4 CCCOC(=O)CC(=O)C P160059 [0,2,0,0,0,0|0,1,1]=4 646 B9R0.4 CCCOC(=O)CC(C)C D303979 [0,2,0,0,0,0|1,0,0]=3 647 B9R0.5 CCC=CCC(=O)OCC E117700 [0,2,0,0,0,0|1,0,0]=3 648 B9R0.5 CCCC=CC(=O)OCC E117526 [0,2,0,0,0,0|1,0,0]=3 649 B9R0.5 CCCCCC(=O)CCC N158991 [0,2,0,0,0,0|2,0,0]=4 650 B9R0.5 CCCCCC(=O)OCC E103497 [0,2,0,0,0,0|1,0,0]=3 651 B9R0.5 CCCCCC(=O)OCC E103498 [0,2,0,0,0,0|1,0,0]=3 652 B9R0.5 CCCCCC(=O)OCC E103499 [0,2,0,0,0,0|1,0,0]=3 653 B9R0.5 CCCCOC(=O)CC#N B133488 [0,2,0,0,0,0|1,0,1]=4 654 B9R0.5 CCCCOC(=O)CCC B103463 [0,2,0,0,0,0|1,0,0]=3 655 B9R0.5 CCCCOC(=O)CCC B103464 [0,2,0,0,0,0|1,0,0]=3 656 B9R0.5 CCCCOC(=O)CCS B340486 [0,2,0,0,0,0|0,0,0]=2 657 B9R0.5 CCOC(=O)CCCCBr E156150 [0,2,0,0,0,0|1,0,0]=3 658 B9R0.5 CCOC(=O)CCCCN E183506 [0,2,0,0,0,0|1,0,0]=3 659 B9R0.5 CCOC(=O)CCN=C=O E170679 [0,2,0,0,0,0|0,1,0]=3 660 B9R0.5 CCOC(=O)COCCCl E305168 [0,2,0,0,0,0|1,0,0]=3 661 B9R0.5 CCOC=CC(=O)OCC E110293 [0,2,0,0,0,0|1,0,1]=4 662 B9R0.5 CCOC=CC(=O)OCC E299465 [0,2,0,0,0,0|1,0,1]=4 663 B9R0.5 CCOC=CC(=O)OCC E589599 [0,2,0,0,0,0|1,0,1]=4 664 B9R0.5 CCOCCC(=O)OCC E108066 [0,2,0,0,0,0|0,1,0]=3 665 B9R0.8 CCCOC(=O)C(C)CC P160535 [0,2,0,0,0,0|1,0,0]=3 666 B9R0.18 C(CC(=O)CCCCl)CCl D193277 [0,2,0,0,0,0|2,0,0]=4 667 B9R0.18 CCCCC(=O)CCCC N102321 [0,2,0,0,0,0|2,0,0]=4 668 B9R0.18 CCCOC(=O)OCCC D107452 [0,2,0,0,0,0|1,0,0]=3 669 B9R0.34 CCC(=O)CC(=O)OCC E122416 [0,2,0,0,0,0|1,0,0]=3 670 B9R0.34 CCC(C)CC(=O)OCC E117866 [0,2,0,0,0,0|1,0,0]=3 671 B9R0.34 CCCC(=O)OC(C)CC S161087 [0,2,0,0,0,0|1,0,0]=3 672 B9R0.34 CCOC(=O)CC(=O)CCl E156137 [0,2,0,0,0,0|1,0,0]=3 673 B9R0.34 CCOC(=O)CC(=O)NN E169463 [0,2,0,0,0,0|0,1,1]=4 674 B9R0.34 CCOC(=O)CC(CCl)O C108078 [0,2,0,0,0,0|0,1,0]=3 675 B9R0.34 CCOC(=O)CC(CCl)O C108079 [0,2,0,0,0,0|0,1,0]=3 676 B9R0.35 CCCC(C(=O)CCC)O H101582 [0,2,0,0,0,0|2,0,0]=4 677 B9R0.35 CCCC(C(=O)OCC)Br E139089 [0,2,0,0,0,0|1,0,0]=3 678 B9R0.35 CCCC(C(=O)OCC)N L135831 [0,2,0,0,0,0|1,0,0]=3 679 B9R0.35 CCCC(C)C(=O)OCC E110162 [0,2,0,0,0,0|1,0,0]=3 680 B9R0.35 CCOC(=N)C(=O)OCC E195169 [0,2,0,0,0,0|1,0,1]=4 681 B9R0.35 CCOC(=O)C(=O)OCC D110943 [0,2,0,0,0,0|1,0,1]=4 682 B9R0.35 CCOC(=O)C(=O)OCC D110944 [0,2,0,0,0,0|1,0,1]=4 683 B9R0.35 CCOC(=O)C(=O)OCC D489097 [0,2,0,0,0,0|1,0,1]=4 684 B9R0.48 CC(C)COC(=O)CC#N I157668 [0,2,0,0,0,0|1,0,1]=4 685 B9R0.48 CCCC(=O)OCC(C)C I157497 [0,2,0,0,0,0|1,0,0]=3 686 B9R0.48 CCOC(=O)CCC(=O)C E117674 [0,2,0,0,0,0|0,1,0]=3 687 B9R0.48 CCOC(=O)CCC(=O)Cl E131894 [0,2,0,0,0,0|0,1,0]=3 688 B9R0.48 CCOC(=O)CCC(=O)O M102994 [0,2,0,0,0,0|0,1,0]=3 689 B9R0.48 CCOC(=O)CCC(C)C E169064 [0,2,0,0,0,0|1,0,0]=3 690 B9R0.48 CCOC(=O)CNC(=O)C A109217 [0,2,0,0,0,0|0,1,1]=4 691 B9R0.6 CCOC(=O)C(=O)C(C)Br B194008 [0,2,0,0,0,0|1,0,1]=4 692 B9R0.6 CCOC(=O)C(=O)C(C)C E302716 [0,2,0,0,0,0|1,0,1]=4 693 B9R0.6 CCOC(=O)C(C(=O)C)Cl E124653 [0,2,0,0,0,0|0,1,1]=4 694 B9R0.6 CCOC(=O)C(C(=O)C)F E156450 [0,2,0,0,0,0|0,1,1]=4 695 B9R0.6 CCOC(=O)C(C(C)Br)Br E156140 [0,2,0,0,0,0|1,0,0]=3 696 B9R0.6 CCOC(=O)C(C(C)C)Br E156152 [0,2,0,0,0,0|1,0,0]=3 697 B9R0.6 CCOC(=O)C(C(C)C)N V117195 [0,2,0,0,0,0|1,0,0]=3 698 B9R0.6 CCOC(=O)C(C)C(=O)C E156155 [0,2,0,0,0,0|0,1,1]=4 699 B9R0.6 CCOC(=O)C(C)C(=O)[O-] P586210 [0,2,0,0,0,0|0,1,1]=4 700 B9R0.6 CCOC(=O)C(C)[N+](=O)[O-] E169050 [0,2,0,0,0,0|1,1,0]=4 701 B9R0.19 CCOC(=O)C(C)(C)C#N E156410 [0,2,0,0,0,0|1,0,1]=4 702 B9R0.19 CCOC(=O)C(C)(C)CCl E345965 [0,2,0,0,0,0|1,0,0]=3 703 B9R0.19 CCOC(=O)C(C)(C)CN A483516 [0,2,0,0,0,0|1,0,0]=3 704 B9R0.19 CCOC(=O)C(CBr)(F)F E165943 [0,2,0,0,0,0|1,0,0]=3 705 B9R0.23 CCC(C)C(=O)OC(C)C I117678 [0,2,0,0,0,0|1,0,0]=3 706 B9R0.37 CCC(CC)C(=O)OCC E156255 [0,2,0,0,0,0|1,0,0]=3 707 B9R0.37 CCOC(=O)C(C=O)C=O E156503 [0,2,0,0,0,0|0,1,1]=4 708 B9R0.37 CCOC(=O)C(CBr)CBr E156134 [0,2,0,0,0,0|1,0,0]=3 709 B9R0.44 CC(C)(C)OC(=O)CC#N T121626 [0,2,0,0,0,0|1,0,1]=4 710 B9R0.44 CC(C)(C)OC(=O)CC=C T102083 [0,2,0,0,0,0|1,0,1]=4 711 B9R0.44 CC(C)(C)OC(=O)CCN A136410 [0,2,0,0,0,0|1,0,0]=3 712 B9R0.44 CC(C)(C)OC(=O)CCN T191093 [0,2,0,0,0,0|1,0,0]=3 713 B9R0.44 CC(C)(C)OC(=O)CCO T334144 [0,2,0,0,0,0|0,1,0]=3 714 B9R0.44 CC(C)(C)OC(=O)CNC H190704 [0,2,0,0,0,0|2,0,0]=4 715 B9R0.44 CC(C)(C)OC(=O)CNC S117106 [0,2,0,0,0,0|2,0,0]=4 716 B9R0.44 CC(C)(C)OC(=O)C[N+]#[C-] I169215 [0,2,0,0,0,0|2,0,0]=4 717 B9R0.44 CCOC(=O)CC(C)(C)C E156145 [0,2,0,0,0,0|1,0,0]=3 718 B9R0.44 CCOC(=O)CC(F)(F)F E588837 [0,2,0,0,0,0|1,0,0]=3 719 B9R0.44 CCOC(=O)C[Si](C)(C)C E110223 [0,2,0,0,0,0|1,1,0]=4 720 B9R0.53 CC(C)CC(=O)CC(C)C D111077 [0,2,0,0,0,0|2,0,0]=4 721 B9R0.53 CC(C)CC(=O)CC(C)C D111078 [0,2,0,0,0,0|2,0,0]=4 722 B9R0.53 CC(C)CC(=O)CC(C)C D616294 [0,2,0,0,0,0|2,0,0]=4 723 B9R0.53 CC(C)OC(=O)CC(=O)C I111058 [0,2,0,0,0,0|0,1,1]=4 724 B9R0.53 CC(C)OC(=O)OC(C)Cl C153281 [0,2,0,0,0,0|2,0,0]=4 725 B7R1.1 CCC1=NCCN1 E156339 [1,0,0,1,0,0|2,0,0]=4 726 B7R1.1 CCC1=NCCO1 E137961 [1,0,0,1,0,0|1,0,0]=3 727 B7R1.1 CCC1=NCCO1 P303248 [1,0,0,1,0,0|1,0,0]=3 728 B7R1.1 CCC1=NCCO1 P432473 [1,0,0,1,0,0|1,0,0]=3 729 B7R1.1 CCC1=NCCO1 P432474 [1,0,0,1,0,0|1,0,0]=3 730 B7R1.2 C1C(=O)COC1=O T101326 [1,0,0,1,0,0|0,1,1]=4 731 B7R1.2 C1C(CNC1=O)N A587603 [1,0,0,1,0,0|2,0,0]=4 732 B7R1.2 C1C(CNC1=O)O H119311 [1,0,0,1,0,0|1,1,0]=4 733 B7R1.2 C1C(CNC1=O)O H119312 [1,0,0,1,0,0|1,1,0]=4 734 B7R1.2 C1C(CNC1=O)O H183207 [1,0,0,1,0,0|1,1,0]=4 735 B7R1.2 C1C(COC1=O)N R189910 [1,0,0,1,0,0|1,0,0]=3 736 B7R1.2 C1C(COC1=O)N S189909 [1,0,0,1,0,0|1,0,0]=3 737 B7R1.2 C1C(COC1=O)O H107941 [1,0,0,1,0,0|0,1,0]=3 738 B7R1.2 C1C(OC(=O)O1)Cl C154009 [1,0,0,1,0,0|2,0,0]=4 739 B7R1.2 C1C(OC(=O)O1)Cl C298772 [1,0,0,1,0,0|2,0,0]=4 740 B7R1.2 C1C(OC(=O)O1)F F120339 [1,0,0,1,0,0|2,0,0]=4 741 B7R1.2 C1CC(=O)CC1=O C138777 [1,0,0,1,0,0|0,1,1]=4 742 B7R1.2 C1CC(=O)OC1=O S104823 [1,0,0,1,0,0|1,0,1]=4 743 B7R1.2 C1CC(=O)OC1=O S104824 [1,0,0,1,0,0|1,0,1]=4 744 B7R1.2 CC1=CC(=O)CC1 M109537 [1,0,0,1,0,0|1,0,1]=4 745 B7R1.2 CC1=CCC(=O)O1 A151155 [1,0,0,1,0,0|0,0,2]=4 746 B7R1.2 CC1=CCC(=O)O1 A433012 [1,0,0,1,0,0|0,0,2]=4 747 B7R1.2 CC1CCC(=O)C1 M113659 [1,0,0,1,0,0|1,0,0]=3 748 B7R1.2 CC1CCC(=O)N1 M158429 [1,0,0,1,0,0|1,0,0]=3 749 B7R1.2 CC1CCC(=O)O1 V106294 [1,0,0,1,0,0|0,0,0]=2 750 B7R1.2 CC1CCC(O1)C D155243 [1,0,0,1,0,0|1,0,1]=4 751 B7R1.2 CC1COC(=O)O1 P105723 [1,0,0,1,0,0|1,0,0]=3 752 B7R1.2 CC1COC(=O)O1 P105724 [1,0,0,1,0,0|1,0,0]=3 753 B7R1.2 CC1COC(=O)O1 P105725 [1,0,0,1,0,0|1,0,0]=3 754 B7R1.2 CC1COC(=O)O1 P105726 [1,0,0,1,0,0|1,0,0]=3 755 B7R1.2 CC1COC(=O)O1 P122960 [1,0,0,1,0,0|1,0,0]=3 756 B7R1.2 CC1COC(=O)O1 S135940 [1,0,0,1,0,0|1,0,0]=3 757 B7R1.2 CC1COS(=O)O1 M120340 [1,0,0,1,0,0|2,0,0]=4 758 B7R1.2 CN1CCC(=O)C1 M343187 [1,0,0,1,0,0|2,0,0]=4 759 B7R1.3 C1CC(=O)CNC1 P301951 [1,0,0,1,0,0|2,0,0]=4 760 B7R1.3 C1CC(=O)COC1 O175840 [1,0,0,1,0,0|1,1,0]=4 761 B7R1.3 C1CCC(=O)CC1 C116449 [1,0,0,1,0,0|1,0,0]=3 762 B7R1.3 C1CCC(=O)CC1 C116451 [1,0,0,1,0,0|1,0,0]=3 763 B7R1.3 C1CCC(=O)CC1 C116453 [1,0,0,1,0,0|1,0,0]=3 764 B7R1.3 C1CCC(=O)CC1 C116454 [1,0,0,1,0,0|1,0,0]=3 765 B7R1.3 C1CCC(=O)CC1 C295202 [1,0,0,1,0,0|1,0,0]=3 766 B7R1.3 C1CCC(=O)CC1 C471914 [1,0,0,1,0,0|1,0,0]=3 767 B7R1.3 C1CCC(=O)CC1 C615386 [1,0,0,1,0,0|1,0,0]=3 768 B7R1.3 C1CCNC(=O)C1 P160613 [1,0,0,1,0,0|1,0,0]=3 769 B7R1.3 C1CCOC(=O)C1 V100560 [1,0,0,1,0,0|0,0,0]=2 770 B7R1.3 C1CNC(=O)CN1 P135012 [1,0,0,1,0,0|2,0,0]=4 771 B7R1.3 C1CNC(=O)NC1 T162348 [1,0,0,1,0,0|2,0,0]=4 772 B7R1.3 C1CNC(=O)OC1 O170792 [1,0,0,1,0,0|1,0,0]=3 773 B7R1.3 C1COC(=O)C=C1 D155403 [1,0,0,1,0,0|0,0,2]=4 774 B7R1.3 C1COC(=O)CO1 D122246 [1,0,0,1,0,0|0,1,0]=3 775 B7R1.3 C1COC(=O)OC1 D155394 [1,0,0,1,0,0|1,0,0]=3 776 B7R1.3 C1COCC(=O)N1 M157861 [1,0,0,1,0,0|1,1,0]=4 777 B7R1.3 C1COCCC1=O T107483 [1,0,0,1,0,0|0,1,0]=3 778 B7R1.3 C1COS(=O)OC1 D137600 [1,0,0,1,0,0|2,0,0]=4 779 B7R1.3 C1CSCCC1=O T121984 [1,0,0,1,0,0|0,0,0]=2 780 B7R1.3 C1CSCCC1N T588299 [1,0,0,1,0,0|1,0,1]=4 781 B7R1.3 C1CSCCC1O T161724 [1,0,0,1,0,0|0,0,2]=4 782 B7R1.3 C=C1CCCCC1 M158229 [1,0,0,1,0,0|2,0,0]=4 783 B7R1.3 CC1=CCCCC1 M158209 [1,0,0,1,0,0|2,0,0]=4 784 B7R1.3 C[Si]1CCCCO1 P107083 [1,0,0,1,0,0|1,1,0]=4 785 B7R1.4 C1CC(C(=O)C1)Cl C103555 [1,0,0,1,0,0|2,0,0]=4 786 B7R1.4 C1CC(C(=O)C1)Cl C598656 [1,0,0,1,0,0|2,0,0]=4 787 B7R1.4 C1CNC(=O)C1O H486731 [1,0,0,1,0,0|1,1,0]=4 788 B7R1.4 C1COC(=O)C1Br B107924 [1,0,0,1,0,0|1,0,0]=3 789 B7R1.4 C1COC(=O)C1N A101211 [1,0,0,1,0,0|1,0,0]=3 790 B7R1.4 C1COC(=O)C1N I167498 [1,0,0,1,0,0|1,0,0]=3 791 B7R1.4 C1COC(=O)C1N R137962 [1,0,0,1,0,0|1,0,0]=3 792 B7R1.4 C1COC(=O)C1O H113417 [1,0,0,1,0,0|0,1,0]=3 793 B7R1.4 C1COC(=O)C1O R591020 [1,0,0,1,0,0|0,1,0]=3 794 B7R1.4 C1COC(=O)C1O S161076 [1,0,0,1,0,0|0,1,0]=3 795 B7R1.4 C1COC(=O)N1N A114272 [1,0,0,1,0,0|2,0,0]=4 796 B7R1.4 C1CSC(=O)C1N H108030 [1,0,0,1,0,0|1,1,0]=4 797 B7R1.4 C1CSC(=O)C1N S169532 [1,0,0,1,0,0|1,1,0]=4 798 B7R1.4 C=C1CCOC1=O M108009 [1,0,0,1,0,0|0,0,2]=4 799 B7R1.4 CC1=CCCC1=O M165952 [1,0,0,1,0,0|1,0,1]=4 800 B7R1.4 CC1=CCOC1=O M158201 [1,0,0,1,0,0|0,0,2]=4 801 B7R1.4 CC1C(=O)CCO1 M102944 [1,0,0,1,0,0|0,1,0]=3 802 B7R1.4 CC1C(=O)CCS1 M102985 [1,0,0,1,0,0|0,0,0]=2 803 B7R1.4 CC1C(CCO1)S M102916 [1,0,0,1,0,0|1,0,1]=4 804 B7R1.4 CC1CCCC1=O M138029 [1,0,0,1,0,0|1,0,0]=3 805 B7R1.4 CC1CCOC1=O A151225 [1,0,0,1,0,0|0,0,0]=2 806 B7R1.4 CN1CCCC1=O M100588 [1,0,0,1,0,0|2,0,0]=4 807 B7R1.4 CN1CCCC1=O M100589 [1,0,0,1,0,0|2,0,0]=4 808 B7R1.4 CN1CCCC1=O M100590 [1,0,0,1,0,0|2,0,0]=4 809 B7R1.4 CN1CCCC1=O M103246 [1,0,0,1,0,0|2,0,0]=4 810 B7R1.4 CN1CCCC1=O M103247 [1,0,0,1,0,0|2,0,0]=4 811 B7R1.4 CN1CCCC1=O M103248 [1,0,0,1,0,0|2,0,0]=4 812 B7R1.4 CN1CCCC1=O M103250 [1,0,0,1,0,0|2,0,0]=4 813 B7R1.4 CN1CCCC1=O M119668 [1,0,0,1,0,0|2,0,0]=4 814 B7R1.4 CN1CCCC1=O M434296 [1,0,0,1,0,0|2,0,0]=4 815 B7R1.4 CN1CCNC1=O M304416 [1,0,0,1,0,0|2,0,0]=4 816 B7R1.4 CN1CCOC1=O M132701 [1,0,0,1,0,0|1,0,0]=3 817 B7R1.22 C1CC1C(=O)CBr B186063 [1,0,0,1,0,0|2,0,0]=4 818 B7R1.22 COC(=O)C1CC1 M108025 [1,0,0,1,0,0|1,0,0]=3 819 B7R1.22 COC(=O)C1CN1 M111108 [1,0,0,1,0,0|1,0,0]=3 820 B7R1.22 COC(=O)C1CO1 G303748 [1,0,0,1,0,0|0,1,0]=3 821 B7R1.22 COC(=O)C1CO1 M344543 [1,0,0,1,0,0|0,1,0]=3 822 B7R1.22 COC(=O)C1CO1 S179901 [1,0,0,1,0,0|0,1,0]=3 823 B7R1.7 CCOCC1CO1 E156388 [1,0,0,1,0,0|0,1,1]=4 824 B7R1.24 C1CCC=CCC1 C153473 [1,0,0,1,0,0|2,0,0]=4 825 B7R1.24 C1CCCOCC1 H157291 [1,0,0,1,0,0|1,0,1]=4 826 B7R1.24 C1CNCCOC1 O587706 [1,0,0,1,0,0|1,0,1]=4 827 B9R1.7 CCOC1=CC(=O)CC1 E344140 [0,1,0,1,0,0|1,1,0]=4 828 B9R1.27 CCC1C(=O)CCC1=O E156451 [0,1,0,1,0,0|1,1,0]=4 829 B9R1.27 CCN1C(=O)CCC1=O N159134 [0,1,0,1,0,0|1,1,0]=4 830 B9R1.33 C1CC(=O)N(C1)CCO H124555 [0,1,0,1,0,0|1,1,0]=4 831 B9R1.33 C1CC(=O)N(C1)CCO H299071 [0,1,0,1,0,0|1,1,0]=4 832 B9R1.33 C1CN(C(=O)N1)CCN A185652 [0,1,0,1,0,0|2,0,0]=4 833 B9R1.48 C1CCC(=O)OC(=O)C1 O588008 [0,1,0,1,0,0|1,0,1]=4 834 B9R1.49 CN1CCCC(=O)CC1 M587966 [0,1,0,1,0,0|2,0,0]=4 835 B9R1.50 C1CCCC(=O)CCC1 C106984 [0,1,0,1,0,0|2,0,0]=4 836 B9R1.50 C1CCCNC(=O)CC1 O159930 [0,1,0,1,0,0|2,0,0]=4 837 B9R1.69 CC1CCC(=O)CC1C D154364 [0,1,0,1,0,0|2,0,0]=4 838 B9R1.69 CC1CCC(C(=O)C1)C D154367 [0,1,0,1,0,0|2,0,0]=4 839 B9R1.73 CCOC(=O)C1CCC1 E124243 [0,1,0,1,0,0|1,0,0]=3 840 B9R1.73 CCOC(=O)C1CNC1 E176414 [0,1,0,1,0,0|1,0,0]=3 841 B9R1.75 CCOC(=O)CC1CC1 E176712 [0,1,0,1,0,0|1,0,0]=3 842 B9R1.5 C1CCC(C(=O)CC1)Cl C153943 [0,1,0,1,0,0|2,0,0]=4 843 B9R1.5 C1CCNC(=O)C(C1)N S135609 [0,1,0,1,0,0|2,0,0]=4 844 B9R1.5 C1CCNC(=O)C(C1)N S588137 [0,1,0,1,0,0|2,0,0]=4 845 B9R1.5 CN1CCCCCC1=O N159776 [0,1,0,1,0,0|2,0,0]=4 846 B9R1.37 CC1CC(=O)C(=O)C1C D102535 [0,1,0,1,0,0|2,0,0]=4 847 B9R1.74 CCOC(=O)C1(CC1)C E420054 [0,1,0,1,0,0|1,0,0]=3 848 B9R1.74 CCOC(=O)C1(CC1)N E138829 [0,1,0,1,0,0|1,0,0]=3 849 B9R1.34 CC1CC(=O)OC(=O)C1 M158784 [0,1,0,1,0,0|1,0,1]=4 850 B9R1.34 CC1CC(CC(=O)C1)C D138533 [0,1,0,1,0,0|2,0,0]=4 851 B9R1.41 CC(=O)C1CCOC1=O A108065 [0,1,0,1,0,0|0,1,1]=4 852 B9R1.66 CC1(CCCC(=O)C1)C D138628 [0,1,0,1,0,0|2,0,0]=4 853 B9R1.66 CC1(CCOC(=O)C1)O D304342 [0,1,0,1,0,0|0,1,0]=3 854 B9R2.39 C1CC2CC1CC2=O N158897 [0,0,0,2,0,0|2,0,0]=4 855 B9R2.109 C1CC2C(O2)C(=O)C1 O342678 [0,0,0,2,0,0|1,1,0]=4 856 B9R2.87 C1CC1C(=O)C2CC2 D108076 [0,0,0,2,0,0|2,0,0]=4